----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:04:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627870846813682 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456514670000002 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): *1 S 0.88666583167315 0.05836001720433 0.02507556658586 32.065 2 S 0.11333416832685 0.55836001720432 0.47492443341414 32.065 3 S 0.11333416832685 0.94163998279568 0.97492443341415 32.065 4 S 0.88666583167315 0.44163998279568 0.52507556658585 32.065 *5 S 0.79214718682215 0.93082775171433 0.37264441712990 32.065 6 S 0.20785281317785 0.43082775171433 0.12735558287010 32.065 7 S 0.20785281317785 0.06917224828567 0.62735558287010 32.065 8 S 0.79214718682215 0.56917224828567 0.87264441712990 32.065 *9 S 0.75342534953565 0.39645476554606 0.20845722963957 32.065 10 S 0.24657465046435 0.89645476554606 0.29154277036042 32.065 11 S 0.24657465046435 0.60354523445394 0.79154277036042 32.065 12 S 0.75342534953565 0.10354523445394 0.70845722963958 32.065 *13 S 0.44721816490483 0.21356991156592 0.91360224542615 32.065 14 S 0.55278183509517 0.71356991156592 0.58639775457385 32.065 15 S 0.55278183509517 0.78643008843408 0.08639775457385 32.065 16 S 0.44721816490483 0.28643008843408 0.41360224542615 32.065 *17 Cu 0.69335141688206 0.37198981332032 0.99577311675911 63.546 18 Cu 0.30664858311794 0.87198981332032 0.50422688324089 63.546 19 Cu 0.30664858311794 0.62801018667968 0.00422688324089 63.546 20 Cu 0.69335141688206 0.12801018667968 0.49577311675911 63.546 *21 La 0.93854750402726 0.70353617597130 0.14028695725955 138.905 22 La 0.06145249597274 0.20353617597130 0.35971304274045 138.905 23 La 0.06145249597274 0.29646382402870 0.85971304274045 138.905 24 La 0.93854750402726 0.79646382402870 0.64028695725955 138.905 *25 La 0.47398399638569 0.37436605237523 0.67554870390390 138.905 26 La 0.52601600361431 0.87436605237523 0.82445129609610 138.905 27 La 0.52601600361431 0.62563394762477 0.32445129609610 138.905 28 La 0.47398399638569 0.12563394762477 0.17554870390390 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.627870846813682 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456514670000002 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): *1 S 0.88666583167315 0.05836001720433 0.02507556658586 32.065 > 1 2 S 0.11333416832685 0.55836001720432 0.47492443341414 32.065 > 2 3 S 0.11333416832685 0.94163998279568 0.97492443341415 32.065 > 3 4 S 0.88666583167315 0.44163998279568 0.52507556658585 32.065 > 4 *5 S 0.79214718682215 0.93082775171433 0.37264441712990 32.065 > 5 6 S 0.20785281317785 0.43082775171433 0.12735558287010 32.065 > 6 7 S 0.20785281317785 0.06917224828567 0.62735558287010 32.065 > 7 8 S 0.79214718682215 0.56917224828567 0.87264441712990 32.065 > 8 *9 S 0.75342534953565 0.39645476554606 0.20845722963957 32.065 > 9 10 S 0.24657465046435 0.89645476554606 0.29154277036042 32.065 > 10 11 S 0.24657465046435 0.60354523445394 0.79154277036042 32.065 > 11 12 S 0.75342534953565 0.10354523445394 0.70845722963958 32.065 > 12 *13 S 0.44721816490483 0.21356991156592 0.91360224542615 32.065 > 13 14 S 0.55278183509517 0.71356991156592 0.58639775457385 32.065 > 14 15 S 0.55278183509517 0.78643008843408 0.08639775457385 32.065 > 15 16 S 0.44721816490483 0.28643008843408 0.41360224542615 32.065 > 16 *17 Cu 0.69335141688206 0.37198981332032 0.99577311675911 63.546 > 17 18 Cu 0.30664858311794 0.87198981332032 0.50422688324089 63.546 > 18 19 Cu 0.30664858311794 0.62801018667968 0.00422688324089 63.546 > 19 20 Cu 0.69335141688206 0.12801018667968 0.49577311675911 63.546 > 20 *21 La 0.93854750402726 0.70353617597130 0.14028695725955 138.905 > 21 22 La 0.06145249597274 0.20353617597130 0.35971304274045 138.905 > 22 23 La 0.06145249597274 0.29646382402870 0.85971304274045 138.905 > 23 24 La 0.93854750402726 0.79646382402870 0.64028695725955 138.905 > 24 *25 La 0.47398399638569 0.37436605237523 0.67554870390390 138.905 > 25 26 La 0.52601600361431 0.87436605237523 0.82445129609610 138.905 > 26 27 La 0.52601600361431 0.62563394762477 0.32445129609610 138.905 > 27 28 La 0.47398399638569 0.12563394762477 0.17554870390390 138.905 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.255741693627364 0.000000000000000 0.000000000000000 b 0.000000000000000 14.913029340000003 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): *1 S 0.44333291583657 0.02918000860216 0.02507556658586 32.065 > 1 2 S 0.94333291583657 0.02918000860216 0.02507556658586 32.065 > 1 3 S 0.44333291583657 0.52918000860216 0.02507556658586 32.065 > 1 4 S 0.94333291583657 0.52918000860216 0.02507556658586 32.065 > 1 5 S 0.05666708416343 0.27918000860216 0.47492443341414 32.065 > 2 6 S 0.55666708416343 0.27918000860216 0.47492443341414 32.065 > 2 7 S 0.05666708416343 0.77918000860216 0.47492443341414 32.065 > 2 8 S 0.55666708416343 0.77918000860216 0.47492443341414 32.065 > 2 9 S 0.05666708416343 0.47081999139784 0.97492443341415 32.065 > 3 10 S 0.55666708416343 0.47081999139784 0.97492443341415 32.065 > 3 11 S 0.05666708416343 0.97081999139784 0.97492443341415 32.065 > 3 12 S 0.55666708416343 0.97081999139784 0.97492443341415 32.065 > 3 13 S 0.44333291583657 0.22081999139784 0.52507556658585 32.065 > 4 14 S 0.94333291583657 0.22081999139784 0.52507556658585 32.065 > 4 15 S 0.44333291583657 0.72081999139784 0.52507556658585 32.065 > 4 16 S 0.94333291583657 0.72081999139784 0.52507556658585 32.065 > 4 *17 S 0.39607359341108 0.46541387585717 0.37264441712990 32.065 > 5 18 S 0.89607359341108 0.46541387585717 0.37264441712990 32.065 > 5 19 S 0.39607359341108 0.96541387585717 0.37264441712990 32.065 > 5 20 S 0.89607359341108 0.96541387585717 0.37264441712990 32.065 > 5 21 S 0.10392640658892 0.21541387585717 0.12735558287010 32.065 > 6 22 S 0.60392640658892 0.21541387585717 0.12735558287010 32.065 > 6 23 S 0.10392640658892 0.71541387585717 0.12735558287010 32.065 > 6 24 S 0.60392640658892 0.71541387585717 0.12735558287010 32.065 > 6 25 S 0.10392640658892 0.03458612414283 0.62735558287010 32.065 > 7 26 S 0.60392640658892 0.03458612414283 0.62735558287010 32.065 > 7 27 S 0.10392640658892 0.53458612414283 0.62735558287010 32.065 > 7 28 S 0.60392640658892 0.53458612414283 0.62735558287010 32.065 > 7 29 S 0.39607359341108 0.28458612414283 0.87264441712990 32.065 > 8 30 S 0.89607359341108 0.28458612414283 0.87264441712990 32.065 > 8 31 S 0.39607359341108 0.78458612414283 0.87264441712990 32.065 > 8 32 S 0.89607359341108 0.78458612414283 0.87264441712990 32.065 > 8 *33 S 0.37671267476783 0.19822738277303 0.20845722963957 32.065 > 9 34 S 0.87671267476783 0.19822738277303 0.20845722963957 32.065 > 9 35 S 0.37671267476783 0.69822738277303 0.20845722963957 32.065 > 9 36 S 0.87671267476783 0.69822738277303 0.20845722963957 32.065 > 9 37 S 0.12328732523218 0.44822738277303 0.29154277036042 32.065 > 10 38 S 0.62328732523218 0.44822738277303 0.29154277036042 32.065 > 10 39 S 0.12328732523218 0.94822738277303 0.29154277036042 32.065 > 10 40 S 0.62328732523218 0.94822738277303 0.29154277036042 32.065 > 10 41 S 0.12328732523218 0.30177261722697 0.79154277036042 32.065 > 11 42 S 0.62328732523218 0.30177261722697 0.79154277036042 32.065 > 11 43 S 0.12328732523218 0.80177261722697 0.79154277036042 32.065 > 11 44 S 0.62328732523218 0.80177261722697 0.79154277036042 32.065 > 11 45 S 0.37671267476783 0.05177261722697 0.70845722963958 32.065 > 12 46 S 0.87671267476783 0.05177261722697 0.70845722963958 32.065 > 12 47 S 0.37671267476783 0.55177261722697 0.70845722963958 32.065 > 12 48 S 0.87671267476783 0.55177261722697 0.70845722963958 32.065 > 12 *49 S 0.22360908245242 0.10678495578296 0.91360224542615 32.065 > 13 50 S 0.72360908245242 0.10678495578296 0.91360224542615 32.065 > 13 51 S 0.22360908245242 0.60678495578296 0.91360224542615 32.065 > 13 52 S 0.72360908245242 0.60678495578296 0.91360224542615 32.065 > 13 53 S 0.27639091754758 0.35678495578296 0.58639775457385 32.065 > 14 54 S 0.77639091754758 0.35678495578296 0.58639775457385 32.065 > 14 55 S 0.27639091754758 0.85678495578296 0.58639775457385 32.065 > 14 56 S 0.77639091754758 0.85678495578296 0.58639775457385 32.065 > 14 57 S 0.27639091754758 0.39321504421704 0.08639775457385 32.065 > 15 58 S 0.77639091754758 0.39321504421704 0.08639775457385 32.065 > 15 59 S 0.27639091754758 0.89321504421704 0.08639775457385 32.065 > 15 60 S 0.77639091754758 0.89321504421704 0.08639775457385 32.065 > 15 61 S 0.22360908245242 0.14321504421704 0.41360224542615 32.065 > 16 62 S 0.72360908245242 0.14321504421704 0.41360224542615 32.065 > 16 63 S 0.22360908245242 0.64321504421704 0.41360224542615 32.065 > 16 64 S 0.72360908245242 0.64321504421704 0.41360224542615 32.065 > 16 *65 Cu 0.34667570844103 0.18599490666016 0.99577311675911 63.546 > 17 66 Cu 0.84667570844103 0.18599490666016 0.99577311675911 63.546 > 17 67 Cu 0.34667570844103 0.68599490666016 0.99577311675911 63.546 > 17 68 Cu 0.84667570844103 0.68599490666016 0.99577311675911 63.546 > 17 69 Cu 0.15332429155897 0.43599490666016 0.50422688324089 63.546 > 18 70 Cu 0.65332429155897 0.43599490666016 0.50422688324089 63.546 > 18 71 Cu 0.15332429155897 0.93599490666016 0.50422688324089 63.546 > 18 72 Cu 0.65332429155897 0.93599490666016 0.50422688324089 63.546 > 18 73 Cu 0.15332429155897 0.31400509333984 0.00422688324089 63.546 > 19 74 Cu 0.65332429155897 0.31400509333984 0.00422688324089 63.546 > 19 75 Cu 0.15332429155897 0.81400509333984 0.00422688324089 63.546 > 19 76 Cu 0.65332429155897 0.81400509333984 0.00422688324089 63.546 > 19 77 Cu 0.34667570844103 0.06400509333984 0.49577311675911 63.546 > 20 78 Cu 0.84667570844103 0.06400509333984 0.49577311675911 63.546 > 20 79 Cu 0.34667570844103 0.56400509333984 0.49577311675911 63.546 > 20 80 Cu 0.84667570844103 0.56400509333984 0.49577311675911 63.546 > 20 *81 La 0.46927375201363 0.35176808798565 0.14028695725955 138.905 > 21 82 La 0.96927375201363 0.35176808798565 0.14028695725955 138.905 > 21 83 La 0.46927375201363 0.85176808798565 0.14028695725955 138.905 > 21 84 La 0.96927375201363 0.85176808798565 0.14028695725955 138.905 > 21 85 La 0.03072624798637 0.10176808798565 0.35971304274045 138.905 > 22 86 La 0.53072624798637 0.10176808798565 0.35971304274045 138.905 > 22 87 La 0.03072624798637 0.60176808798565 0.35971304274045 138.905 > 22 88 La 0.53072624798637 0.60176808798565 0.35971304274045 138.905 > 22 89 La 0.03072624798637 0.14823191201435 0.85971304274045 138.905 > 23 90 La 0.53072624798637 0.14823191201435 0.85971304274045 138.905 > 23 91 La 0.03072624798637 0.64823191201435 0.85971304274045 138.905 > 23 92 La 0.53072624798637 0.64823191201435 0.85971304274045 138.905 > 23 93 La 0.46927375201363 0.39823191201435 0.64028695725955 138.905 > 24 94 La 0.96927375201363 0.39823191201435 0.64028695725955 138.905 > 24 95 La 0.46927375201363 0.89823191201435 0.64028695725955 138.905 > 24 96 La 0.96927375201363 0.89823191201435 0.64028695725955 138.905 > 24 *97 La 0.23699199819284 0.18718302618761 0.67554870390390 138.905 > 25 98 La 0.73699199819284 0.18718302618761 0.67554870390390 138.905 > 25 99 La 0.23699199819284 0.68718302618761 0.67554870390390 138.905 > 25 100 La 0.73699199819284 0.68718302618761 0.67554870390390 138.905 > 25 101 La 0.26300800180716 0.43718302618761 0.82445129609610 138.905 > 26 102 La 0.76300800180716 0.43718302618761 0.82445129609610 138.905 > 26 103 La 0.26300800180716 0.93718302618761 0.82445129609610 138.905 > 26 104 La 0.76300800180716 0.93718302618761 0.82445129609610 138.905 > 26 105 La 0.26300800180716 0.31281697381239 0.32445129609610 138.905 > 27 106 La 0.76300800180716 0.31281697381239 0.32445129609610 138.905 > 27 107 La 0.26300800180716 0.81281697381239 0.32445129609610 138.905 > 27 108 La 0.76300800180716 0.81281697381239 0.32445129609610 138.905 > 27 109 La 0.23699199819284 0.06281697381239 0.17554870390390 138.905 > 28 110 La 0.73699199819284 0.06281697381239 0.17554870390390 138.905 > 28 111 La 0.23699199819284 0.56281697381239 0.17554870390390 138.905 > 28 112 La 0.73699199819284 0.56281697381239 0.17554870390390 138.905 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8682266 0.0000000 0.0157118 0.0000000 9.2993907 0.0000000 0.0157192 0.0000000 8.9959614 -------------------------- Born effective charges -------------------------- 1 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 2 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 3 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 4 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 5 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 6 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 7 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 8 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 9 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 10 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 11 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 12 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 13 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 14 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 15 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 16 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 17 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 18 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 19 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 20 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 21 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 22 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 23 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 24 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 25 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 26 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 27 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 28 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.019 Solver_block: 100 / 880 - Time: 1.776 Solver_block: 200 / 880 - Time: 2.364 Solver_block: 300 / 880 - Time: 1.356 Solver_block: 400 / 880 - Time: 2.870 Solver_block: 500 / 880 - Time: 1.324 Solver_block: 600 / 880 - Time: 2.112 Solver_block: 700 / 880 - Time: 1.183 Solver_block: 800 / 880 - Time: 2.334 Solver_block: 880 / 880 - Time: 1.765 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.594 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:05:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627870846813682 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456514670000002 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): 1 S 0.88666583167315 0.05836001720433 0.02507556658586 32.065 2 S 0.11333416832685 0.55836001720432 0.47492443341414 32.065 3 S 0.11333416832685 0.94163998279568 0.97492443341415 32.065 4 S 0.88666583167315 0.44163998279568 0.52507556658585 32.065 5 S 0.79214718682215 0.93082775171433 0.37264441712990 32.065 6 S 0.20785281317785 0.43082775171433 0.12735558287010 32.065 7 S 0.20785281317785 0.06917224828567 0.62735558287010 32.065 8 S 0.79214718682215 0.56917224828567 0.87264441712990 32.065 9 S 0.75342534953565 0.39645476554606 0.20845722963957 32.065 10 S 0.24657465046435 0.89645476554606 0.29154277036042 32.065 11 S 0.24657465046435 0.60354523445394 0.79154277036042 32.065 12 S 0.75342534953565 0.10354523445394 0.70845722963958 32.065 13 S 0.44721816490483 0.21356991156592 0.91360224542615 32.065 14 S 0.55278183509517 0.71356991156592 0.58639775457385 32.065 15 S 0.55278183509517 0.78643008843408 0.08639775457385 32.065 16 S 0.44721816490483 0.28643008843408 0.41360224542615 32.065 17 Cu 0.69335141688206 0.37198981332032 0.99577311675911 63.546 18 Cu 0.30664858311794 0.87198981332032 0.50422688324089 63.546 19 Cu 0.30664858311794 0.62801018667968 0.00422688324089 63.546 20 Cu 0.69335141688206 0.12801018667968 0.49577311675911 63.546 21 La 0.93854750402726 0.70353617597130 0.14028695725955 138.905 22 La 0.06145249597274 0.20353617597130 0.35971304274045 138.905 23 La 0.06145249597274 0.29646382402870 0.85971304274045 138.905 24 La 0.93854750402726 0.79646382402870 0.64028695725955 138.905 25 La 0.47398399638569 0.37436605237523 0.67554870390390 138.905 26 La 0.52601600361431 0.87436605237523 0.82445129609610 138.905 27 La 0.52601600361431 0.62563394762477 0.32445129609610 138.905 28 La 0.47398399638569 0.12563394762477 0.17554870390390 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.255741693627364 0.000000000000000 0.000000000000000 b 0.000000000000000 14.913029340000003 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): 1 S 0.44333291583657 0.02918000860216 0.02507556658586 32.065 > 1 2 S 0.94333291583657 0.02918000860216 0.02507556658586 32.065 > 1 3 S 0.44333291583657 0.52918000860216 0.02507556658586 32.065 > 1 4 S 0.94333291583657 0.52918000860216 0.02507556658586 32.065 > 1 5 S 0.05666708416343 0.27918000860216 0.47492443341414 32.065 > 5 6 S 0.55666708416343 0.27918000860216 0.47492443341414 32.065 > 5 7 S 0.05666708416343 0.77918000860216 0.47492443341414 32.065 > 5 8 S 0.55666708416343 0.77918000860216 0.47492443341414 32.065 > 5 9 S 0.05666708416343 0.47081999139784 0.97492443341415 32.065 > 9 10 S 0.55666708416343 0.47081999139784 0.97492443341415 32.065 > 9 11 S 0.05666708416343 0.97081999139784 0.97492443341415 32.065 > 9 12 S 0.55666708416343 0.97081999139784 0.97492443341415 32.065 > 9 13 S 0.44333291583657 0.22081999139784 0.52507556658585 32.065 > 13 14 S 0.94333291583657 0.22081999139784 0.52507556658585 32.065 > 13 15 S 0.44333291583657 0.72081999139784 0.52507556658585 32.065 > 13 16 S 0.94333291583657 0.72081999139784 0.52507556658585 32.065 > 13 17 S 0.39607359341108 0.46541387585717 0.37264441712990 32.065 > 17 18 S 0.89607359341108 0.46541387585717 0.37264441712990 32.065 > 17 19 S 0.39607359341108 0.96541387585717 0.37264441712990 32.065 > 17 20 S 0.89607359341108 0.96541387585717 0.37264441712990 32.065 > 17 21 S 0.10392640658892 0.21541387585717 0.12735558287010 32.065 > 21 22 S 0.60392640658892 0.21541387585717 0.12735558287010 32.065 > 21 23 S 0.10392640658892 0.71541387585717 0.12735558287010 32.065 > 21 24 S 0.60392640658892 0.71541387585717 0.12735558287010 32.065 > 21 25 S 0.10392640658892 0.03458612414283 0.62735558287010 32.065 > 25 26 S 0.60392640658892 0.03458612414283 0.62735558287010 32.065 > 25 27 S 0.10392640658892 0.53458612414283 0.62735558287010 32.065 > 25 28 S 0.60392640658892 0.53458612414283 0.62735558287010 32.065 > 25 29 S 0.39607359341108 0.28458612414283 0.87264441712990 32.065 > 29 30 S 0.89607359341108 0.28458612414283 0.87264441712990 32.065 > 29 31 S 0.39607359341108 0.78458612414283 0.87264441712990 32.065 > 29 32 S 0.89607359341108 0.78458612414283 0.87264441712990 32.065 > 29 33 S 0.37671267476783 0.19822738277303 0.20845722963957 32.065 > 33 34 S 0.87671267476783 0.19822738277303 0.20845722963957 32.065 > 33 35 S 0.37671267476783 0.69822738277303 0.20845722963957 32.065 > 33 36 S 0.87671267476783 0.69822738277303 0.20845722963957 32.065 > 33 37 S 0.12328732523218 0.44822738277303 0.29154277036042 32.065 > 37 38 S 0.62328732523218 0.44822738277303 0.29154277036042 32.065 > 37 39 S 0.12328732523218 0.94822738277303 0.29154277036042 32.065 > 37 40 S 0.62328732523218 0.94822738277303 0.29154277036042 32.065 > 37 41 S 0.12328732523218 0.30177261722697 0.79154277036042 32.065 > 41 42 S 0.62328732523218 0.30177261722697 0.79154277036042 32.065 > 41 43 S 0.12328732523218 0.80177261722697 0.79154277036042 32.065 > 41 44 S 0.62328732523218 0.80177261722697 0.79154277036042 32.065 > 41 45 S 0.37671267476783 0.05177261722697 0.70845722963958 32.065 > 45 46 S 0.87671267476783 0.05177261722697 0.70845722963958 32.065 > 45 47 S 0.37671267476783 0.55177261722697 0.70845722963958 32.065 > 45 48 S 0.87671267476783 0.55177261722697 0.70845722963958 32.065 > 45 49 S 0.22360908245242 0.10678495578296 0.91360224542615 32.065 > 49 50 S 0.72360908245242 0.10678495578296 0.91360224542615 32.065 > 49 51 S 0.22360908245242 0.60678495578296 0.91360224542615 32.065 > 49 52 S 0.72360908245242 0.60678495578296 0.91360224542615 32.065 > 49 53 S 0.27639091754758 0.35678495578296 0.58639775457385 32.065 > 53 54 S 0.77639091754758 0.35678495578296 0.58639775457385 32.065 > 53 55 S 0.27639091754758 0.85678495578296 0.58639775457385 32.065 > 53 56 S 0.77639091754758 0.85678495578296 0.58639775457385 32.065 > 53 57 S 0.27639091754758 0.39321504421704 0.08639775457385 32.065 > 57 58 S 0.77639091754758 0.39321504421704 0.08639775457385 32.065 > 57 59 S 0.27639091754758 0.89321504421704 0.08639775457385 32.065 > 57 60 S 0.77639091754758 0.89321504421704 0.08639775457385 32.065 > 57 61 S 0.22360908245242 0.14321504421704 0.41360224542615 32.065 > 61 62 S 0.72360908245242 0.14321504421704 0.41360224542615 32.065 > 61 63 S 0.22360908245242 0.64321504421704 0.41360224542615 32.065 > 61 64 S 0.72360908245242 0.64321504421704 0.41360224542615 32.065 > 61 65 Cu 0.34667570844103 0.18599490666016 0.99577311675911 63.546 > 65 66 Cu 0.84667570844103 0.18599490666016 0.99577311675911 63.546 > 65 67 Cu 0.34667570844103 0.68599490666016 0.99577311675911 63.546 > 65 68 Cu 0.84667570844103 0.68599490666016 0.99577311675911 63.546 > 65 69 Cu 0.15332429155897 0.43599490666016 0.50422688324089 63.546 > 69 70 Cu 0.65332429155897 0.43599490666016 0.50422688324089 63.546 > 69 71 Cu 0.15332429155897 0.93599490666016 0.50422688324089 63.546 > 69 72 Cu 0.65332429155897 0.93599490666016 0.50422688324089 63.546 > 69 73 Cu 0.15332429155897 0.31400509333984 0.00422688324089 63.546 > 73 74 Cu 0.65332429155897 0.31400509333984 0.00422688324089 63.546 > 73 75 Cu 0.15332429155897 0.81400509333984 0.00422688324089 63.546 > 73 76 Cu 0.65332429155897 0.81400509333984 0.00422688324089 63.546 > 73 77 Cu 0.34667570844103 0.06400509333984 0.49577311675911 63.546 > 77 78 Cu 0.84667570844103 0.06400509333984 0.49577311675911 63.546 > 77 79 Cu 0.34667570844103 0.56400509333984 0.49577311675911 63.546 > 77 80 Cu 0.84667570844103 0.56400509333984 0.49577311675911 63.546 > 77 81 La 0.46927375201363 0.35176808798565 0.14028695725955 138.905 > 81 82 La 0.96927375201363 0.35176808798565 0.14028695725955 138.905 > 81 83 La 0.46927375201363 0.85176808798565 0.14028695725955 138.905 > 81 84 La 0.96927375201363 0.85176808798565 0.14028695725955 138.905 > 81 85 La 0.03072624798637 0.10176808798565 0.35971304274045 138.905 > 85 86 La 0.53072624798637 0.10176808798565 0.35971304274045 138.905 > 85 87 La 0.03072624798637 0.60176808798565 0.35971304274045 138.905 > 85 88 La 0.53072624798637 0.60176808798565 0.35971304274045 138.905 > 85 89 La 0.03072624798637 0.14823191201435 0.85971304274045 138.905 > 89 90 La 0.53072624798637 0.14823191201435 0.85971304274045 138.905 > 89 91 La 0.03072624798637 0.64823191201435 0.85971304274045 138.905 > 89 92 La 0.53072624798637 0.64823191201435 0.85971304274045 138.905 > 89 93 La 0.46927375201363 0.39823191201435 0.64028695725955 138.905 > 93 94 La 0.96927375201363 0.39823191201435 0.64028695725955 138.905 > 93 95 La 0.46927375201363 0.89823191201435 0.64028695725955 138.905 > 93 96 La 0.96927375201363 0.89823191201435 0.64028695725955 138.905 > 93 97 La 0.23699199819284 0.18718302618761 0.67554870390390 138.905 > 97 98 La 0.73699199819284 0.18718302618761 0.67554870390390 138.905 > 97 99 La 0.23699199819284 0.68718302618761 0.67554870390390 138.905 > 97 100 La 0.73699199819284 0.68718302618761 0.67554870390390 138.905 > 97 101 La 0.26300800180716 0.43718302618761 0.82445129609610 138.905 > 101 102 La 0.76300800180716 0.43718302618761 0.82445129609610 138.905 > 101 103 La 0.26300800180716 0.93718302618761 0.82445129609610 138.905 > 101 104 La 0.76300800180716 0.93718302618761 0.82445129609610 138.905 > 101 105 La 0.26300800180716 0.31281697381239 0.32445129609610 138.905 > 105 106 La 0.76300800180716 0.31281697381239 0.32445129609610 138.905 > 105 107 La 0.26300800180716 0.81281697381239 0.32445129609610 138.905 > 105 108 La 0.76300800180716 0.81281697381239 0.32445129609610 138.905 > 105 109 La 0.23699199819284 0.06281697381239 0.17554870390390 138.905 > 109 110 La 0.73699199819284 0.06281697381239 0.17554870390390 138.905 > 109 111 La 0.23699199819284 0.56281697381239 0.17554870390390 138.905 > 109 112 La 0.73699199819284 0.56281697381239 0.17554870390390 138.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8682266 0.0000000 0.0157118 0.0000000 9.2993907 0.0000000 0.0157192 0.0000000 8.9959614 -------------------------- Born effective charges -------------------------- 1 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 2 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 3 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 4 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 5 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 6 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 7 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 8 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 9 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 10 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 11 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 12 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 13 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 14 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 15 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 16 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 17 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 18 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 19 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 20 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 21 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 22 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 23 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 24 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 25 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 26 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 27 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 28 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:06:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:06:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.627870846813682 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456514670000002 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): 1 S 0.88666583167315 0.05836001720433 0.02507556658586 32.065 2 S 0.11333416832685 0.55836001720432 0.47492443341414 32.065 3 S 0.11333416832685 0.94163998279568 0.97492443341415 32.065 4 S 0.88666583167315 0.44163998279568 0.52507556658585 32.065 5 S 0.79214718682215 0.93082775171433 0.37264441712990 32.065 6 S 0.20785281317785 0.43082775171433 0.12735558287010 32.065 7 S 0.20785281317785 0.06917224828567 0.62735558287010 32.065 8 S 0.79214718682215 0.56917224828567 0.87264441712990 32.065 9 S 0.75342534953565 0.39645476554606 0.20845722963957 32.065 10 S 0.24657465046435 0.89645476554606 0.29154277036042 32.065 11 S 0.24657465046435 0.60354523445394 0.79154277036042 32.065 12 S 0.75342534953565 0.10354523445394 0.70845722963958 32.065 13 S 0.44721816490483 0.21356991156592 0.91360224542615 32.065 14 S 0.55278183509517 0.71356991156592 0.58639775457385 32.065 15 S 0.55278183509517 0.78643008843408 0.08639775457385 32.065 16 S 0.44721816490483 0.28643008843408 0.41360224542615 32.065 17 Cu 0.69335141688206 0.37198981332032 0.99577311675911 63.546 18 Cu 0.30664858311794 0.87198981332032 0.50422688324089 63.546 19 Cu 0.30664858311794 0.62801018667968 0.00422688324089 63.546 20 Cu 0.69335141688206 0.12801018667968 0.49577311675911 63.546 21 La 0.93854750402726 0.70353617597130 0.14028695725955 138.905 22 La 0.06145249597274 0.20353617597130 0.35971304274045 138.905 23 La 0.06145249597274 0.29646382402870 0.85971304274045 138.905 24 La 0.93854750402726 0.79646382402870 0.64028695725955 138.905 25 La 0.47398399638569 0.37436605237523 0.67554870390390 138.905 26 La 0.52601600361431 0.87436605237523 0.82445129609610 138.905 27 La 0.52601600361431 0.62563394762477 0.32445129609610 138.905 28 La 0.47398399638569 0.12563394762477 0.17554870390390 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.255741693627364 0.000000000000000 0.000000000000000 b 0.000000000000000 14.913029340000003 0.000000000000000 c -2.708757031246427 0.000000000000000 10.378471253232039 Atomic positions (fractional): 1 S 0.44333291583657 0.02918000860216 0.02507556658586 32.065 > 1 2 S 0.94333291583657 0.02918000860216 0.02507556658586 32.065 > 1 3 S 0.44333291583657 0.52918000860216 0.02507556658586 32.065 > 1 4 S 0.94333291583657 0.52918000860216 0.02507556658586 32.065 > 1 5 S 0.05666708416343 0.27918000860216 0.47492443341414 32.065 > 5 6 S 0.55666708416343 0.27918000860216 0.47492443341414 32.065 > 5 7 S 0.05666708416343 0.77918000860216 0.47492443341414 32.065 > 5 8 S 0.55666708416343 0.77918000860216 0.47492443341414 32.065 > 5 9 S 0.05666708416343 0.47081999139784 0.97492443341415 32.065 > 9 10 S 0.55666708416343 0.47081999139784 0.97492443341415 32.065 > 9 11 S 0.05666708416343 0.97081999139784 0.97492443341415 32.065 > 9 12 S 0.55666708416343 0.97081999139784 0.97492443341415 32.065 > 9 13 S 0.44333291583657 0.22081999139784 0.52507556658585 32.065 > 13 14 S 0.94333291583657 0.22081999139784 0.52507556658585 32.065 > 13 15 S 0.44333291583657 0.72081999139784 0.52507556658585 32.065 > 13 16 S 0.94333291583657 0.72081999139784 0.52507556658585 32.065 > 13 17 S 0.39607359341108 0.46541387585717 0.37264441712990 32.065 > 17 18 S 0.89607359341108 0.46541387585717 0.37264441712990 32.065 > 17 19 S 0.39607359341108 0.96541387585717 0.37264441712990 32.065 > 17 20 S 0.89607359341108 0.96541387585717 0.37264441712990 32.065 > 17 21 S 0.10392640658892 0.21541387585717 0.12735558287010 32.065 > 21 22 S 0.60392640658892 0.21541387585717 0.12735558287010 32.065 > 21 23 S 0.10392640658892 0.71541387585717 0.12735558287010 32.065 > 21 24 S 0.60392640658892 0.71541387585717 0.12735558287010 32.065 > 21 25 S 0.10392640658892 0.03458612414283 0.62735558287010 32.065 > 25 26 S 0.60392640658892 0.03458612414283 0.62735558287010 32.065 > 25 27 S 0.10392640658892 0.53458612414283 0.62735558287010 32.065 > 25 28 S 0.60392640658892 0.53458612414283 0.62735558287010 32.065 > 25 29 S 0.39607359341108 0.28458612414283 0.87264441712990 32.065 > 29 30 S 0.89607359341108 0.28458612414283 0.87264441712990 32.065 > 29 31 S 0.39607359341108 0.78458612414283 0.87264441712990 32.065 > 29 32 S 0.89607359341108 0.78458612414283 0.87264441712990 32.065 > 29 33 S 0.37671267476783 0.19822738277303 0.20845722963957 32.065 > 33 34 S 0.87671267476783 0.19822738277303 0.20845722963957 32.065 > 33 35 S 0.37671267476783 0.69822738277303 0.20845722963957 32.065 > 33 36 S 0.87671267476783 0.69822738277303 0.20845722963957 32.065 > 33 37 S 0.12328732523218 0.44822738277303 0.29154277036042 32.065 > 37 38 S 0.62328732523218 0.44822738277303 0.29154277036042 32.065 > 37 39 S 0.12328732523218 0.94822738277303 0.29154277036042 32.065 > 37 40 S 0.62328732523218 0.94822738277303 0.29154277036042 32.065 > 37 41 S 0.12328732523218 0.30177261722697 0.79154277036042 32.065 > 41 42 S 0.62328732523218 0.30177261722697 0.79154277036042 32.065 > 41 43 S 0.12328732523218 0.80177261722697 0.79154277036042 32.065 > 41 44 S 0.62328732523218 0.80177261722697 0.79154277036042 32.065 > 41 45 S 0.37671267476783 0.05177261722697 0.70845722963958 32.065 > 45 46 S 0.87671267476783 0.05177261722697 0.70845722963958 32.065 > 45 47 S 0.37671267476783 0.55177261722697 0.70845722963958 32.065 > 45 48 S 0.87671267476783 0.55177261722697 0.70845722963958 32.065 > 45 49 S 0.22360908245242 0.10678495578296 0.91360224542615 32.065 > 49 50 S 0.72360908245242 0.10678495578296 0.91360224542615 32.065 > 49 51 S 0.22360908245242 0.60678495578296 0.91360224542615 32.065 > 49 52 S 0.72360908245242 0.60678495578296 0.91360224542615 32.065 > 49 53 S 0.27639091754758 0.35678495578296 0.58639775457385 32.065 > 53 54 S 0.77639091754758 0.35678495578296 0.58639775457385 32.065 > 53 55 S 0.27639091754758 0.85678495578296 0.58639775457385 32.065 > 53 56 S 0.77639091754758 0.85678495578296 0.58639775457385 32.065 > 53 57 S 0.27639091754758 0.39321504421704 0.08639775457385 32.065 > 57 58 S 0.77639091754758 0.39321504421704 0.08639775457385 32.065 > 57 59 S 0.27639091754758 0.89321504421704 0.08639775457385 32.065 > 57 60 S 0.77639091754758 0.89321504421704 0.08639775457385 32.065 > 57 61 S 0.22360908245242 0.14321504421704 0.41360224542615 32.065 > 61 62 S 0.72360908245242 0.14321504421704 0.41360224542615 32.065 > 61 63 S 0.22360908245242 0.64321504421704 0.41360224542615 32.065 > 61 64 S 0.72360908245242 0.64321504421704 0.41360224542615 32.065 > 61 65 Cu 0.34667570844103 0.18599490666016 0.99577311675911 63.546 > 65 66 Cu 0.84667570844103 0.18599490666016 0.99577311675911 63.546 > 65 67 Cu 0.34667570844103 0.68599490666016 0.99577311675911 63.546 > 65 68 Cu 0.84667570844103 0.68599490666016 0.99577311675911 63.546 > 65 69 Cu 0.15332429155897 0.43599490666016 0.50422688324089 63.546 > 69 70 Cu 0.65332429155897 0.43599490666016 0.50422688324089 63.546 > 69 71 Cu 0.15332429155897 0.93599490666016 0.50422688324089 63.546 > 69 72 Cu 0.65332429155897 0.93599490666016 0.50422688324089 63.546 > 69 73 Cu 0.15332429155897 0.31400509333984 0.00422688324089 63.546 > 73 74 Cu 0.65332429155897 0.31400509333984 0.00422688324089 63.546 > 73 75 Cu 0.15332429155897 0.81400509333984 0.00422688324089 63.546 > 73 76 Cu 0.65332429155897 0.81400509333984 0.00422688324089 63.546 > 73 77 Cu 0.34667570844103 0.06400509333984 0.49577311675911 63.546 > 77 78 Cu 0.84667570844103 0.06400509333984 0.49577311675911 63.546 > 77 79 Cu 0.34667570844103 0.56400509333984 0.49577311675911 63.546 > 77 80 Cu 0.84667570844103 0.56400509333984 0.49577311675911 63.546 > 77 81 La 0.46927375201363 0.35176808798565 0.14028695725955 138.905 > 81 82 La 0.96927375201363 0.35176808798565 0.14028695725955 138.905 > 81 83 La 0.46927375201363 0.85176808798565 0.14028695725955 138.905 > 81 84 La 0.96927375201363 0.85176808798565 0.14028695725955 138.905 > 81 85 La 0.03072624798637 0.10176808798565 0.35971304274045 138.905 > 85 86 La 0.53072624798637 0.10176808798565 0.35971304274045 138.905 > 85 87 La 0.03072624798637 0.60176808798565 0.35971304274045 138.905 > 85 88 La 0.53072624798637 0.60176808798565 0.35971304274045 138.905 > 85 89 La 0.03072624798637 0.14823191201435 0.85971304274045 138.905 > 89 90 La 0.53072624798637 0.14823191201435 0.85971304274045 138.905 > 89 91 La 0.03072624798637 0.64823191201435 0.85971304274045 138.905 > 89 92 La 0.53072624798637 0.64823191201435 0.85971304274045 138.905 > 89 93 La 0.46927375201363 0.39823191201435 0.64028695725955 138.905 > 93 94 La 0.96927375201363 0.39823191201435 0.64028695725955 138.905 > 93 95 La 0.46927375201363 0.89823191201435 0.64028695725955 138.905 > 93 96 La 0.96927375201363 0.89823191201435 0.64028695725955 138.905 > 93 97 La 0.23699199819284 0.18718302618761 0.67554870390390 138.905 > 97 98 La 0.73699199819284 0.18718302618761 0.67554870390390 138.905 > 97 99 La 0.23699199819284 0.68718302618761 0.67554870390390 138.905 > 97 100 La 0.73699199819284 0.68718302618761 0.67554870390390 138.905 > 97 101 La 0.26300800180716 0.43718302618761 0.82445129609610 138.905 > 101 102 La 0.76300800180716 0.43718302618761 0.82445129609610 138.905 > 101 103 La 0.26300800180716 0.93718302618761 0.82445129609610 138.905 > 101 104 La 0.76300800180716 0.93718302618761 0.82445129609610 138.905 > 101 105 La 0.26300800180716 0.31281697381239 0.32445129609610 138.905 > 105 106 La 0.76300800180716 0.31281697381239 0.32445129609610 138.905 > 105 107 La 0.26300800180716 0.81281697381239 0.32445129609610 138.905 > 105 108 La 0.76300800180716 0.81281697381239 0.32445129609610 138.905 > 105 109 La 0.23699199819284 0.06281697381239 0.17554870390390 138.905 > 109 110 La 0.73699199819284 0.06281697381239 0.17554870390390 138.905 > 109 111 La 0.23699199819284 0.56281697381239 0.17554870390390 138.905 > 109 112 La 0.73699199819284 0.56281697381239 0.17554870390390 138.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8682266 0.0000000 0.0157118 0.0000000 9.2993907 0.0000000 0.0157192 0.0000000 8.9959614 -------------------------- Born effective charges -------------------------- 1 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 2 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 3 S -1.2597552 -0.5810695 0.1209875 -0.3555957 -1.7252495 0.3356000 0.0304598 0.4181869 -1.5978905 4 S -1.2597552 0.5810695 0.1209875 0.3555957 -1.7252495 -0.3356000 0.0304598 -0.4181869 -1.5978905 5 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 6 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 7 S -2.2271997 -0.5072025 -0.1817545 -0.4827554 -2.6258727 0.2564535 -0.2172515 -0.0155605 -2.5229102 8 S -2.2271997 0.5072025 -0.1817545 0.4827554 -2.6258727 -0.2564535 -0.2172515 0.0155605 -2.5229102 9 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 10 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 11 S -2.7327041 -0.1691177 -0.0835336 -0.2129468 -2.9355580 0.0479093 -0.0322411 0.1371673 -1.7076948 12 S -2.7327041 0.1691177 -0.0835336 0.2129468 -2.9355580 -0.0479093 -0.0322411 -0.1371673 -1.7076948 13 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 14 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 15 S -2.3747407 0.2188920 0.2641946 0.2549372 -2.2324495 0.1532344 0.2587630 0.2398209 -2.9341043 16 S -2.3747407 -0.2188920 0.2641946 -0.2549372 -2.2324495 -0.1532344 0.2587630 -0.2398209 -2.9341043 17 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 18 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 19 Cu 0.3091642 -0.0320321 -0.0347378 -0.2219713 0.3975059 0.0069580 -0.0132146 -0.0907887 0.2376931 20 Cu 0.3091642 0.0320321 -0.0347378 0.2219713 0.3975059 -0.0069580 -0.0132146 0.0907887 0.2376931 21 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 22 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 23 La 4.4970830 0.4601130 0.1620405 0.5465956 4.5593769 0.1149575 0.4430753 0.1291247 3.9102490 24 La 4.4970830 -0.4601130 0.1620405 -0.5465956 4.5593769 -0.1149575 0.4430753 -0.1291247 3.9102490 25 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 26 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 27 La 3.7881525 -0.4353737 -0.2471967 -0.0849647 4.5622469 -0.1115461 -0.4695909 0.1628070 4.6146578 28 La 3.7881525 0.4353737 -0.2471967 0.0849647 4.5622469 0.1115461 -0.4695909 -0.1628070 4.6146578 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.834 ( 0.000 0.000 0.000) 0.000 1.022 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 9.753 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 18.416 0.000 13.624) 22.908 0.507 ( 23.942 0.000 5.171) 24.494 0.840 ( 37.686 0.000 5.280) 38.054 0.870 ( 0.674 0.000 -1.896) 2.012 1.031 ( 0.497 0.000 4.391) 4.419 1.060 ( 4.108 0.000 6.655) 7.820 1.240 ( 3.119 0.000 -0.400) 3.145 1.592 ( -0.401 0.000 -1.879) 1.922 1.756 ( -7.112 0.000 7.492) 10.330 1.859 ( -1.656 0.000 8.044) 8.212 2.013 ( 9.620 0.000 -9.506) 13.524 2.122 ( 12.242 0.000 -3.032) 12.612 2.151 ( -4.924 0.000 -3.811) 6.227 2.242 ( -0.009 0.000 10.704) 10.704 2.335 ( -6.924 0.000 -5.767) 9.011 2.413 ( 2.733 0.000 -0.283) 2.748 2.677 ( -1.420 0.000 0.987) 1.729 2.732 ( 0.692 0.000 2.341) 2.441 2.795 ( -0.830 0.000 3.029) 3.141 2.930 ( -3.235 0.000 2.764) 4.255 3.038 ( 0.399 0.000 0.123) 0.418 3.068 ( -4.203 0.000 -1.774) 4.562 3.166 ( 1.832 0.000 0.078) 1.834 3.270 ( 1.479 0.000 -0.980) 1.775 3.287 ( 2.713 0.000 -0.472) 2.754 3.311 ( 2.411 0.000 -1.171) 2.680 3.440 ( -0.223 0.000 -2.474) 2.484 3.462 ( -1.134 0.000 0.635) 1.299 3.568 ( 3.367 0.000 0.257) 3.377 3.577 ( 0.596 0.000 2.435) 2.507 3.675 ( -2.588 0.000 -0.902) 2.740 3.786 ( -0.013 0.000 1.478) 1.478 3.791 ( -0.632 0.000 -2.813) 2.883 3.954 ( -3.905 0.000 -4.815) 6.199 4.174 ( 2.115 0.000 3.913) 4.448 4.226 ( -3.417 0.000 -2.576) 4.279 4.237 ( -0.799 0.000 -0.896) 1.201 4.325 ( -0.552 0.000 -4.373) 4.407 4.382 ( 0.613 0.000 2.014) 2.105 4.647 ( -6.231 0.000 -6.119) 8.733 4.758 ( -4.333 0.000 3.525) 5.586 4.876 ( -3.091 0.000 -2.774) 4.154 5.059 ( 0.879 0.000 2.458) 2.610 5.235 ( -0.601 0.000 2.281) 2.359 5.334 ( -4.354 0.000 18.000) 18.519 5.470 ( -2.369 0.000 -2.887) 3.734 6.086 ( -2.147 0.000 6.688) 7.024 6.094 ( -0.241 0.000 0.231) 0.333 6.380 ( -2.969 0.000 -0.763) 3.066 6.408 ( 0.894 0.000 -3.178) 3.302 6.457 ( 0.931 0.000 -0.824) 1.243 6.570 ( -5.789 0.000 0.280) 5.796 6.692 ( -0.213 0.000 -0.054) 0.220 6.698 ( 0.546 0.000 0.452) 0.708 6.776 ( -1.676 0.000 0.481) 1.743 6.825 ( -1.386 0.000 -1.073) 1.753 6.865 ( 0.259 0.000 0.366) 0.449 6.990 ( -2.389 0.000 0.350) 2.415 7.062 ( 2.704 0.000 -0.731) 2.801 7.232 ( 7.291 0.000 2.802) 7.811 7.415 ( 1.499 0.000 -0.142) 1.505 7.534 ( 0.114 0.000 1.828) 1.831 7.609 ( -2.332 0.000 9.804) 10.078 7.664 ( 1.671 0.000 -0.368) 1.711 7.740 ( 1.457 0.000 -1.332) 1.974 7.882 ( -1.706 0.000 -7.981) 8.161 8.059 ( 2.416 0.000 3.386) 4.160 8.276 ( 5.852 0.000 -30.376) 30.935 8.321 ( 0.616 0.000 2.424) 2.501 8.620 ( 1.693 0.000 -0.383) 1.736 8.783 ( -0.292 0.000 0.475) 0.558 8.832 ( -0.620 0.000 -0.536) 0.819 8.877 ( 0.476 0.000 -0.262) 0.543 9.096 ( -1.385 0.000 -0.343) 1.427 9.735 ( -0.321 0.000 -0.523) 0.613 9.760 ( 0.601 0.000 0.313) 0.678 9.867 ( -1.650 0.000 5.588) 5.827 9.900 ( -1.114 0.000 -0.142) 1.123 10.054 ( 0.238 0.000 0.488) 0.543 10.089 ( -0.071 0.000 -0.501) 0.506 10.133 ( -0.409 0.000 -0.077) 0.417 10.267 ( -1.189 0.000 1.034) 1.576 12.624 ( 0.261 0.000 0.042) 0.265 12.660 ( 0.096 0.000 -0.045) 0.106 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -7.872 0.000 -1.190) 7.961 0.784 ( 11.318 0.000 9.384) 14.702 0.910 ( 14.279 0.000 4.191) 14.882 1.107 ( 4.598 0.000 4.997) 6.790 1.191 ( 12.008 0.000 3.205) 12.428 1.225 ( 5.893 0.000 -4.134) 7.199 1.593 ( 1.557 0.000 -0.947) 1.823 1.631 ( 10.043 0.000 13.924) 17.168 1.778 ( 21.825 0.000 -2.038) 21.920 1.869 ( -0.837 0.000 4.718) 4.791 2.023 ( -5.948 0.000 -2.619) 6.499 2.092 ( 0.291 0.000 -6.397) 6.404 2.194 ( -4.257 0.000 -5.519) 6.970 2.252 ( 4.247 0.000 -1.183) 4.409 2.400 ( 6.165 0.000 7.748) 9.901 2.419 ( 3.036 0.000 -3.471) 4.611 2.639 ( 2.870 0.000 -1.614) 3.293 2.804 ( -0.045 0.000 1.068) 1.069 2.811 ( 2.773 0.000 3.855) 4.749 2.876 ( -3.325 0.000 -0.206) 3.332 3.000 ( -1.143 0.000 0.643) 1.311 3.071 ( 2.329 0.000 0.729) 2.441 3.163 ( -1.574 0.000 -1.048) 1.892 3.260 ( -1.424 0.000 -3.647) 3.915 3.313 ( -0.861 0.000 -2.303) 2.459 3.366 ( 4.817 0.000 -0.552) 4.849 3.414 ( -3.524 0.000 2.402) 4.265 3.429 ( -1.816 0.000 -0.840) 2.001 3.600 ( -2.951 0.000 0.104) 2.953 3.627 ( 2.893 0.000 1.666) 3.339 3.650 ( 3.108 0.000 0.250) 3.118 3.740 ( -2.504 0.000 -2.487) 3.529 3.780 ( -0.751 0.000 -1.653) 1.816 3.934 ( 3.859 0.000 -1.685) 4.211 4.127 ( -5.779 0.000 -1.724) 6.030 4.176 ( -3.678 0.000 1.531) 3.984 4.212 ( -1.464 0.000 -0.057) 1.465 4.225 ( -9.245 0.000 -2.684) 9.627 4.390 ( -1.554 0.000 1.569) 2.208 4.523 ( -1.507 0.000 -3.911) 4.191 4.668 ( -6.719 0.000 4.852) 8.287 4.797 ( -3.526 0.000 -2.655) 4.414 5.091 ( 0.996 0.000 2.837) 3.007 5.226 ( -1.556 0.000 2.931) 3.318 5.351 ( -0.289 0.000 5.867) 5.874 5.400 ( -2.856 0.000 -3.774) 4.733 6.078 ( -1.094 0.000 2.748) 2.958 6.087 ( -0.667 0.000 0.529) 0.851 6.324 ( -2.292 0.000 -0.472) 2.340 6.415 ( 1.282 0.000 -1.937) 2.323 6.453 ( -5.602 0.000 -0.705) 5.646 6.467 ( 0.286 0.000 -0.340) 0.444 6.685 ( -0.970 0.000 0.198) 0.989 6.719 ( 1.562 0.000 0.521) 1.646 6.746 ( -1.423 0.000 0.634) 1.558 6.790 ( -1.287 0.000 -1.205) 1.763 6.872 ( 0.182 0.000 0.767) 0.789 6.933 ( -3.743 0.000 0.752) 3.818 7.148 ( 5.644 0.000 -0.113) 5.646 7.357 ( 4.263 0.000 2.448) 4.916 7.454 ( 2.538 0.000 0.277) 2.553 7.535 ( -0.843 0.000 1.305) 1.553 7.614 ( -1.077 0.000 4.834) 4.952 7.704 ( 2.365 0.000 0.197) 2.374 7.718 ( -2.146 0.000 -6.953) 7.276 7.859 ( 1.869 0.000 -0.560) 1.951 8.114 ( 0.220 0.000 8.269) 8.272 8.228 ( 2.162 0.000 -18.781) 18.905 8.358 ( 1.635 0.000 3.776) 4.115 8.653 ( 1.821 0.000 -0.739) 1.965 8.777 ( -0.689 0.000 0.751) 1.019 8.816 ( -0.649 0.000 -0.311) 0.719 8.887 ( 0.742 0.000 -0.413) 0.849 9.059 ( -2.127 0.000 -0.603) 2.211 9.728 ( -0.132 0.000 -0.403) 0.424 9.775 ( 0.623 0.000 0.376) 0.728 9.863 ( -0.675 0.000 1.843) 1.963 9.871 ( -1.642 0.000 -0.465) 1.706 10.062 ( 0.285 0.000 0.597) 0.661 10.085 ( 0.001 0.000 -0.729) 0.729 10.124 ( -0.566 0.000 0.094) 0.573 10.246 ( -1.247 0.000 0.414) 1.314 12.630 ( 0.323 0.000 0.050) 0.327 12.662 ( 0.128 0.000 -0.053) 0.139 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -4.493 0.000 -0.663) 4.541 0.930 ( 2.419 0.000 2.105) 3.207 1.096 ( 4.240 0.000 1.781) 4.599 1.174 ( 0.743 0.000 1.801) 1.948 1.394 ( 9.416 0.000 5.331) 10.820 1.398 ( 5.795 0.000 0.973) 5.876 1.648 ( -1.381 0.000 -6.948) 7.084 1.666 ( 6.343 0.000 0.694) 6.381 1.866 ( -5.524 0.000 1.903) 5.843 1.872 ( -0.527 0.000 2.081) 2.147 1.975 ( -7.271 0.000 -3.566) 8.098 2.122 ( -1.586 0.000 -2.027) 2.574 2.245 ( 7.837 0.000 -1.195) 7.928 2.327 ( 0.077 0.000 6.444) 6.444 2.449 ( 12.941 0.000 -0.431) 12.948 2.590 ( 2.389 0.000 3.039) 3.865 2.767 ( 8.641 0.000 -0.930) 8.691 2.786 ( -1.422 0.000 -3.193) 3.495 2.854 ( -0.057 0.000 2.446) 2.447 2.863 ( 7.056 0.000 -0.800) 7.101 3.020 ( 0.927 0.000 1.002) 1.365 3.039 ( -4.745 0.000 -2.268) 5.259 3.185 ( 3.749 0.000 1.375) 3.993 3.197 ( -5.082 0.000 -1.675) 5.351 3.263 ( -10.522 0.000 1.452) 10.622 3.265 ( -2.851 0.000 -1.334) 3.148 3.412 ( 0.143 0.000 -1.478) 1.485 3.422 ( 1.114 0.000 -0.455) 1.203 3.565 ( -0.665 0.000 0.658) 0.935 3.643 ( -0.814 0.000 -0.420) 0.916 3.730 ( 3.726 0.000 1.171) 3.906 3.754 ( -0.074 0.000 -2.400) 2.401 3.778 ( 7.158 0.000 1.800) 7.381 3.970 ( -11.413 0.000 -1.047) 11.461 4.017 ( 2.927 0.000 -2.090) 3.597 4.051 ( -3.654 0.000 -2.280) 4.307 4.097 ( -2.289 0.000 1.156) 2.564 4.161 ( -3.987 0.000 0.563) 4.026 4.365 ( -0.675 0.000 -0.481) 0.829 4.524 ( 0.745 0.000 -0.095) 0.751 4.597 ( -2.306 0.000 2.838) 3.657 4.728 ( -2.241 0.000 -1.393) 2.638 5.119 ( 0.601 0.000 1.461) 1.580 5.214 ( -0.643 0.000 1.147) 1.315 5.343 ( -1.320 0.000 -1.895) 2.310 5.371 ( 0.196 0.000 1.574) 1.586 6.073 ( -0.355 0.000 0.832) 0.905 6.077 ( -0.469 0.000 0.369) 0.597 6.295 ( -0.694 0.000 -0.137) 0.707 6.376 ( -2.032 0.000 -0.554) 2.106 6.435 ( 1.551 0.000 -1.376) 2.073 6.461 ( -0.952 0.000 0.589) 1.119 6.664 ( -0.818 0.000 -0.046) 0.819 6.731 ( -0.535 0.000 0.494) 0.728 6.762 ( 2.573 0.000 -0.017) 2.573 6.773 ( -0.178 0.000 -0.541) 0.569 6.858 ( -3.334 0.000 1.633) 3.712 6.884 ( -0.081 0.000 -0.702) 0.706 7.238 ( 3.204 0.000 -0.185) 3.210 7.408 ( 0.463 0.000 1.285) 1.366 7.510 ( 2.863 0.000 0.905) 3.002 7.524 ( -0.384 0.000 0.190) 0.428 7.608 ( -2.329 0.000 2.928) 3.741 7.641 ( -1.120 0.000 -5.319) 5.436 7.740 ( 1.013 0.000 0.216) 1.036 7.901 ( 1.526 0.000 0.591) 1.636 8.142 ( -1.572 0.000 7.930) 8.084 8.189 ( 1.870 0.000 -11.368) 11.521 8.404 ( 1.077 0.000 2.082) 2.344 8.673 ( 0.648 0.000 -0.556) 0.854 8.768 ( -0.471 0.000 0.376) 0.602 8.808 ( -0.169 0.000 -0.128) 0.212 8.898 ( 0.545 0.000 -0.187) 0.576 9.022 ( -1.250 0.000 -0.362) 1.301 9.727 ( 0.108 0.000 -0.037) 0.114 9.784 ( 0.226 0.000 0.164) 0.279 9.843 ( -0.890 0.000 -0.360) 0.960 9.860 ( -0.179 0.000 0.455) 0.489 10.069 ( 0.123 0.000 0.262) 0.290 10.084 ( 0.100 0.000 -0.388) 0.401 10.115 ( -0.339 0.000 0.137) 0.366 10.229 ( -0.538 0.000 0.129) 0.554 12.635 ( 0.143 0.000 0.021) 0.145 12.663 ( 0.060 0.000 -0.023) 0.064 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 24.029 0.000) 24.029 0.501 ( 0.000 22.899 0.000) 22.899 0.737 ( 0.000 22.883 0.000) 22.883 0.781 ( 0.000 -3.160 0.000) 3.160 0.958 ( 0.000 -3.011 0.000) 3.011 1.202 ( 0.000 19.490 0.000) 19.490 1.264 ( 0.000 3.919 0.000) 3.919 1.714 ( 0.000 1.643 0.000) 1.643 1.763 ( 0.000 5.683 0.000) 5.683 1.881 ( 0.000 0.599 0.000) 0.599 1.884 ( 0.000 2.777 0.000) 2.777 2.004 ( 0.000 3.341 0.000) 3.341 2.182 ( 0.000 -1.004 0.000) 1.004 2.261 ( 0.000 -0.379 0.000) 0.379 2.319 ( 0.000 -1.766 0.000) 1.766 2.552 ( 0.000 7.378 0.000) 7.378 2.553 ( 0.000 -4.186 0.000) 4.186 2.750 ( 0.000 -2.605 0.000) 2.605 2.793 ( 0.000 -0.907 0.000) 0.907 2.960 ( 0.000 3.893 0.000) 3.893 3.002 ( 0.000 -4.417 0.000) 4.417 3.064 ( 0.000 -4.905 0.000) 4.905 3.123 ( 0.000 -0.521 0.000) 0.521 3.212 ( 0.000 -4.037 0.000) 4.037 3.281 ( 0.000 -1.200 0.000) 1.200 3.294 ( 0.000 2.874 0.000) 2.874 3.325 ( 0.000 3.779 0.000) 3.779 3.491 ( 0.000 3.126 0.000) 3.126 3.541 ( 0.000 -1.453 0.000) 1.453 3.556 ( 0.000 2.998 0.000) 2.998 3.680 ( 0.000 -2.073 0.000) 2.073 3.756 ( 0.000 -2.157 0.000) 2.157 3.820 ( 0.000 2.119 0.000) 2.119 4.009 ( 0.000 -7.432 0.000) 7.432 4.079 ( 0.000 -0.442 0.000) 0.442 4.256 ( 0.000 -1.120 0.000) 1.120 4.287 ( 0.000 -6.219 0.000) 6.219 4.298 ( 0.000 -0.459 0.000) 0.459 4.402 ( 0.000 6.651 0.000) 6.651 4.586 ( 0.000 -6.209 0.000) 6.209 4.781 ( 0.000 -4.501 0.000) 4.501 4.900 ( 0.000 -0.145 0.000) 0.145 5.161 ( 0.000 1.410 0.000) 1.410 5.172 ( 0.000 -1.032 0.000) 1.032 5.264 ( 0.000 2.117 0.000) 2.117 5.442 ( 0.000 -5.216 0.000) 5.216 6.092 ( 0.000 2.334 0.000) 2.334 6.258 ( 0.000 -0.423 0.000) 0.423 6.363 ( 0.000 -1.246 0.000) 1.246 6.380 ( 0.000 -1.611 0.000) 1.611 6.429 ( 0.000 -2.471 0.000) 2.471 6.589 ( 0.000 -5.485 0.000) 5.485 6.644 ( 0.000 -3.101 0.000) 3.101 6.692 ( 0.000 -2.559 0.000) 2.559 6.778 ( 0.000 -0.629 0.000) 0.629 6.824 ( 0.000 5.283 0.000) 5.283 6.850 ( 0.000 -0.790 0.000) 0.790 7.065 ( 0.000 -2.683 0.000) 2.683 7.066 ( 0.000 -1.504 0.000) 1.504 7.209 ( 0.000 3.438 0.000) 3.438 7.396 ( 0.000 -0.999 0.000) 0.999 7.586 ( 0.000 5.328 0.000) 5.328 7.628 ( 0.000 1.055 0.000) 1.055 7.680 ( 0.000 2.764 0.000) 2.764 7.700 ( 0.000 -2.417 0.000) 2.417 7.904 ( 0.000 -3.326 0.000) 3.326 8.112 ( 0.000 2.092 0.000) 2.092 8.232 ( 0.000 0.957 0.000) 0.957 8.317 ( 0.000 0.842 0.000) 0.842 8.733 ( 0.000 -3.834 0.000) 3.834 8.800 ( 0.000 0.811 0.000) 0.811 8.806 ( 0.000 0.908 0.000) 0.908 9.080 ( 0.000 0.073 0.000) 0.073 9.108 ( 0.000 -0.218 0.000) 0.218 9.751 ( 0.000 0.699 0.000) 0.699 9.759 ( 0.000 0.526 0.000) 0.526 9.812 ( 0.000 -0.111 0.000) 0.111 9.901 ( 0.000 -1.043 0.000) 1.043 10.046 ( 0.000 -0.280 0.000) 0.280 10.123 ( 0.000 -1.279 0.000) 1.279 10.144 ( 0.000 1.889 0.000) 1.889 10.208 ( 0.000 0.823 0.000) 0.823 12.622 ( 0.000 0.058 0.000) 0.058 12.656 ( 0.000 -0.325 0.000) 0.325 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 12.734 12.785 3.211) 18.328 0.622 ( 10.685 14.823 10.787) 21.219 0.817 ( 4.997 -4.217 -0.483) 6.556 0.942 ( 0.081 0.369 2.787) 2.813 1.000 ( 11.094 0.753 -2.257) 11.346 1.179 ( 0.034 6.194 1.659) 6.412 1.428 ( 14.390 18.650 4.068) 23.905 1.644 ( 2.491 9.589 -0.848) 9.944 1.769 ( -4.158 2.731 2.829) 5.723 1.872 ( -1.407 0.921 5.211) 5.475 1.958 ( 9.179 -2.667 -5.517) 11.036 2.145 ( -3.313 -0.511 -0.465) 3.384 2.188 ( 5.942 -0.973 10.217) 11.859 2.235 ( 3.816 4.266 -8.313) 10.093 2.319 ( -1.806 -0.064 -3.246) 3.715 2.480 ( -0.597 3.752 1.115) 3.959 2.616 ( 0.047 -4.674 3.100) 5.609 2.672 ( -6.205 -2.061 -0.285) 6.545 2.798 ( 0.404 -1.450 -0.934) 1.772 2.986 ( 1.475 4.021 3.999) 5.860 3.018 ( -2.124 -2.727 -1.566) 3.795 3.044 ( 0.288 -1.760 -0.179) 1.792 3.130 ( 1.514 -3.610 -0.029) 3.915 3.228 ( 0.896 -3.355 0.081) 3.474 3.308 ( 1.254 0.154 0.426) 1.333 3.330 ( 1.143 1.951 -2.926) 3.698 3.344 ( 2.353 -4.750 1.229) 5.442 3.476 ( -1.270 2.716 -0.586) 3.055 3.524 ( 1.022 -1.903 0.238) 2.173 3.623 ( 3.270 2.373 0.119) 4.042 3.663 ( -1.213 -0.577 -0.264) 1.369 3.758 ( 0.160 -1.859 0.732) 2.005 3.815 ( -0.261 2.200 -1.491) 2.671 3.933 ( -2.632 -2.611 -4.352) 5.717 4.087 ( -2.055 -5.346 1.296) 5.872 4.222 ( -1.420 -0.917 -1.601) 2.328 4.307 ( -0.559 -2.719 1.692) 3.251 4.318 ( 0.216 -2.526 1.357) 2.875 4.368 ( -0.924 6.339 -2.405) 6.843 4.536 ( -4.761 -6.277 -1.616) 8.042 4.770 ( -1.764 -3.534 0.327) 3.964 4.863 ( -4.083 0.578 -0.141) 4.126 5.113 ( -0.524 3.343 -0.858) 3.491 5.213 ( 0.048 -1.446 3.661) 3.937 5.307 ( 1.205 -0.206 5.894) 6.019 5.427 ( -1.207 -4.212 -1.536) 4.643 6.083 ( -0.961 1.935 0.581) 2.237 6.184 ( -4.594 2.666 2.419) 5.837 6.342 ( -2.781 -3.272 -0.888) 4.385 6.388 ( 0.316 -1.778 -2.131) 2.793 6.448 ( 1.073 -0.219 0.963) 1.458 6.588 ( -0.326 -2.601 -0.036) 2.621 6.612 ( -2.569 -4.107 0.959) 4.938 6.683 ( -0.664 -3.195 -0.090) 3.265 6.780 ( -0.279 0.074 0.667) 0.727 6.801 ( -0.178 3.219 -2.064) 3.828 6.892 ( 1.888 0.667 -0.002) 2.002 7.037 ( 1.650 -1.175 0.029) 2.025 7.114 ( -4.138 4.516 1.019) 6.209 7.210 ( 5.040 -0.769 3.751) 6.329 7.420 ( 1.595 -0.479 -1.223) 2.066 7.575 ( -1.763 3.833 2.520) 4.914 7.631 ( 0.312 1.262 -0.536) 1.406 7.682 ( 0.526 2.464 1.996) 3.214 7.718 ( 1.587 -2.543 -0.004) 2.997 7.862 ( -2.121 -2.109 -6.663) 7.304 8.089 ( -1.459 2.272 4.878) 5.575 8.212 ( 0.961 -1.485 -8.168) 8.357 8.361 ( 2.699 0.806 -2.679) 3.887 8.678 ( -2.901 -0.198 -2.375) 3.755 8.803 ( 0.136 1.635 -0.597) 1.746 8.807 ( -0.203 -0.635 0.751) 1.005 8.950 ( -4.401 5.015 -3.374) 7.476 9.094 ( -1.405 -0.258 -0.345) 1.470 9.743 ( -0.377 0.810 -0.583) 1.067 9.766 ( 0.606 0.531 0.316) 0.865 9.842 ( 0.173 -1.528 3.491) 3.815 9.892 ( -0.934 -0.939 -0.122) 1.330 10.040 ( -0.143 -0.314 0.152) 0.377 10.116 ( -0.130 0.003 -1.096) 1.104 10.143 ( -0.282 1.936 0.706) 2.080 10.239 ( 0.756 -1.361 0.983) 1.841 12.625 ( 0.291 0.083 0.044) 0.306 12.658 ( 0.218 -0.200 -0.041) 0.299 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -3.530 1.351 -0.754) 3.854 0.825 ( 7.642 3.157 3.851) 9.122 0.906 ( 9.834 0.800 4.000) 10.646 1.067 ( 11.419 -2.303 2.185) 11.852 1.200 ( 3.293 0.210 3.733) 4.982 1.217 ( 11.960 2.599 1.504) 12.331 1.585 ( 3.056 0.875 0.097) 3.180 1.722 ( -0.587 3.644 2.118) 4.255 1.867 ( -0.413 1.669 3.328) 3.745 1.908 ( 13.515 9.415 -0.077) 16.471 2.036 ( -4.229 0.718 -2.226) 4.832 2.091 ( -0.501 -0.522 -2.915) 3.004 2.176 ( 1.772 0.147 -2.356) 2.952 2.314 ( 4.357 6.142 1.049) 7.603 2.398 ( 7.515 -0.843 5.165) 9.158 2.472 ( -0.721 5.228 -2.955) 6.049 2.602 ( 0.967 -2.981 -0.003) 3.134 2.650 ( 2.194 -7.241 4.300) 8.702 2.782 ( -1.146 -3.416 -1.603) 3.943 2.929 ( -3.724 -1.455 -2.891) 4.934 3.060 ( 3.013 4.324 4.989) 7.257 3.078 ( 2.460 3.099 -0.134) 3.959 3.135 ( -0.997 -5.703 -1.666) 6.024 3.222 ( -1.846 0.043 0.009) 1.847 3.301 ( -2.691 -3.307 -3.557) 5.553 3.342 ( -1.923 -5.033 3.747) 6.563 3.360 ( 3.586 -1.555 -2.137) 4.455 3.466 ( 1.165 2.053 -1.126) 2.615 3.541 ( -1.114 -0.699 -0.799) 1.539 3.635 ( 0.862 -0.169 1.452) 1.697 3.683 ( 1.572 0.563 0.669) 1.799 3.755 ( -0.741 0.026 -1.345) 1.535 3.786 ( -1.689 2.106 -1.946) 3.328 3.939 ( 4.501 0.600 -2.057) 4.985 4.028 ( -3.531 -5.477 0.070) 6.517 4.183 ( -3.633 -1.614 -1.329) 4.192 4.240 ( -5.968 1.549 -2.608) 6.694 4.258 ( -5.354 1.585 1.166) 5.705 4.378 ( -0.936 0.448 1.422) 1.760 4.447 ( -1.183 -6.041 -1.921) 6.449 4.716 ( -4.947 1.489 4.392) 6.781 4.772 ( -3.497 -0.334 -3.506) 4.963 5.125 ( 1.034 2.862 1.668) 3.470 5.220 ( -0.643 -0.180 2.083) 2.187 5.344 ( 0.591 -0.390 2.691) 2.783 5.388 ( -1.820 -1.597 -1.169) 2.689 6.069 ( -0.762 0.840 0.956) 1.484 6.130 ( -2.625 1.874 1.322) 3.486 6.285 ( -2.371 -3.133 -0.630) 3.979 6.359 ( -1.839 -3.345 -1.624) 4.148 6.471 ( 1.301 2.914 -0.215) 3.199 6.554 ( -1.953 2.971 -0.063) 3.556 6.610 ( 0.469 -4.852 1.718) 5.169 6.669 ( -0.714 -4.361 -0.456) 4.442 6.779 ( 0.221 1.932 0.390) 1.983 6.803 ( 1.075 2.447 -0.772) 2.782 6.905 ( -0.177 1.571 -0.669) 1.717 6.998 ( -5.235 5.275 1.827) 7.653 7.138 ( 5.188 -0.849 -0.208) 5.261 7.324 ( 4.379 -2.676 2.866) 5.878 7.434 ( 0.406 -1.268 0.192) 1.346 7.554 ( -1.550 1.386 1.664) 2.663 7.632 ( 0.160 1.003 -0.716) 1.243 7.703 ( -0.320 -0.090 -2.876) 2.895 7.730 ( 0.189 0.710 0.425) 0.849 7.820 ( 1.326 -3.330 -1.963) 4.087 8.105 ( -0.723 -0.751 7.371) 7.444 8.184 ( 1.002 -2.618 -11.167) 11.513 8.384 ( 1.083 1.122 0.304) 1.589 8.644 ( -0.246 -2.021 -0.945) 2.244 8.791 ( -1.186 0.703 0.969) 1.685 8.812 ( 0.456 0.854 -0.386) 1.043 8.906 ( -0.373 1.822 -0.796) 2.023 9.057 ( -2.063 -0.231 -0.554) 2.148 9.735 ( -0.180 0.735 -0.438) 0.875 9.780 ( 0.629 0.549 0.391) 0.922 9.846 ( -0.719 -1.219 0.649) 1.557 9.871 ( -1.019 -0.384 0.306) 1.131 10.042 ( 0.112 -0.613 0.288) 0.686 10.110 ( 0.079 0.066 -0.985) 0.990 10.140 ( -0.418 2.399 0.642) 2.518 10.239 ( -0.678 -0.514 0.457) 0.966 12.632 ( 0.421 0.203 0.046) 0.470 12.662 ( 0.222 0.019 -0.046) 0.227 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -3.191 5.565 -0.544) 6.438 0.948 ( 3.104 1.560 1.489) 3.780 1.031 ( 2.900 -4.404 1.288) 5.429 1.141 ( -0.384 -2.733 -0.298) 2.776 1.392 ( 9.060 -0.310 -0.123) 9.067 1.473 ( 10.337 5.770 7.269) 13.892 1.664 ( 4.027 1.383 -0.357) 4.272 1.716 ( 0.774 3.370 -1.736) 3.869 1.850 ( -2.406 -1.274 -0.166) 2.728 1.889 ( -5.709 2.902 -0.920) 6.470 1.957 ( -5.573 -0.196 -1.856) 5.877 2.049 ( -0.815 -5.098 -1.785) 5.463 2.237 ( 2.978 -2.041 0.159) 3.614 2.398 ( -0.938 4.660 6.028) 7.677 2.464 ( 5.477 0.038 -2.729) 6.120 2.586 ( 0.850 -0.995 1.179) 1.761 2.646 ( -0.202 -7.224 -0.474) 7.242 2.756 ( 8.038 -5.586 2.283) 10.051 2.805 ( 8.817 -0.065 1.113) 8.887 2.877 ( -0.628 -0.136 -1.860) 1.968 3.042 ( -6.428 1.253 -3.820) 7.582 3.118 ( 0.562 2.432 1.452) 2.887 3.130 ( -0.111 -3.308 -0.284) 3.323 3.202 ( -0.019 1.937 1.944) 2.744 3.226 ( -0.765 -1.457 0.161) 1.654 3.309 ( -3.527 2.547 -0.444) 4.373 3.406 ( 1.617 -1.498 -0.205) 2.214 3.482 ( -0.816 -4.659 -1.265) 4.896 3.504 ( -0.027 5.025 -0.371) 5.038 3.673 ( 1.036 1.267 0.776) 1.811 3.694 ( -0.619 -1.692 0.236) 1.817 3.734 ( -0.007 -1.645 -1.331) 2.116 3.783 ( 2.661 -1.828 0.592) 3.282 3.962 ( -4.447 1.925 0.146) 4.848 4.008 ( 1.201 -1.260 -2.218) 2.820 4.066 ( -2.235 2.650 -1.837) 3.923 4.137 ( -2.786 1.087 -0.417) 3.020 4.178 ( -3.792 2.037 0.480) 4.331 4.354 ( -0.842 -0.356 -0.189) 0.934 4.450 ( 0.301 -6.102 0.397) 6.122 4.667 ( -1.961 4.658 5.193) 7.247 4.705 ( -1.639 -0.950 -4.308) 4.706 5.154 ( 0.949 3.004 1.284) 3.402 5.212 ( -0.672 0.220 0.287) 0.763 5.349 ( -0.359 0.171 -1.071) 1.143 5.369 ( -0.189 -0.258 1.277) 1.317 6.068 ( 0.288 0.174 0.511) 0.612 6.092 ( -1.756 0.742 0.360) 1.940 6.255 ( -0.635 -2.838 -0.199) 2.915 6.324 ( -0.933 -2.673 -0.649) 2.904 6.495 ( 1.636 3.292 -1.354) 3.917 6.524 ( -1.698 3.458 1.282) 4.061 6.628 ( 0.473 -1.542 1.172) 1.994 6.654 ( -0.458 -5.131 -0.918) 5.233 6.796 ( 1.098 3.090 0.202) 3.286 6.828 ( 1.531 3.625 0.137) 3.938 6.883 ( -1.751 0.632 -0.940) 2.085 6.924 ( -2.586 4.442 1.103) 5.257 7.224 ( 3.140 -1.363 -0.240) 3.431 7.381 ( 0.328 -2.562 1.312) 2.897 7.457 ( 2.190 -2.670 1.270) 3.679 7.523 ( -2.198 -1.403 -0.717) 2.705 7.632 ( 0.119 0.720 -0.123) 0.740 7.653 ( -1.368 1.607 -2.474) 3.252 7.752 ( 0.696 0.836 0.552) 1.220 7.853 ( 1.310 -4.548 0.448) 4.754 8.117 ( -1.705 -2.109 6.383) 6.935 8.154 ( 1.426 -2.950 -8.500) 9.110 8.408 ( 0.681 0.064 1.215) 1.394 8.641 ( 0.059 -3.594 -0.507) 3.630 8.777 ( -0.564 0.825 0.425) 1.086 8.817 ( 0.207 1.314 -0.081) 1.333 8.905 ( 0.236 0.660 -0.206) 0.730 9.022 ( -1.138 -0.024 -0.327) 1.185 9.733 ( 0.067 0.629 -0.055) 0.635 9.790 ( 0.232 0.569 0.171) 0.638 9.830 ( -0.662 -1.054 -0.345) 1.291 9.862 ( -0.225 -0.040 0.331) 0.402 10.044 ( 0.048 -0.701 0.119) 0.713 10.110 ( 0.149 -0.292 -0.440) 0.549 10.135 ( -0.277 2.981 0.338) 3.013 10.229 ( -0.392 -0.019 0.137) 0.416 12.639 ( 0.213 0.370 0.020) 0.428 12.665 ( 0.075 0.124 -0.020) 0.146 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 -1.598 0.000) 1.598 0.802 ( 0.000 -4.608 0.000) 4.608 0.900 ( 0.000 16.617 0.000) 16.617 0.947 ( 0.000 17.937 0.000) 17.937 0.983 ( 0.000 2.972 0.000) 2.972 1.405 ( 0.000 11.720 0.000) 11.720 1.602 ( 0.000 7.642 0.000) 7.642 1.848 ( 0.000 3.018 0.000) 3.018 1.850 ( 0.000 7.757 0.000) 7.757 1.910 ( 0.000 -0.345 0.000) 0.345 1.965 ( 0.000 3.770 0.000) 3.770 2.072 ( 0.000 8.445 0.000) 8.445 2.191 ( 0.000 5.367 0.000) 5.367 2.229 ( 0.000 -1.923 0.000) 1.923 2.330 ( 0.000 5.901 0.000) 5.901 2.528 ( 0.000 2.130 0.000) 2.130 2.672 ( 0.000 3.066 0.000) 3.066 2.732 ( 0.000 1.569 0.000) 1.569 2.779 ( 0.000 1.227 0.000) 1.227 2.885 ( 0.000 -7.228 0.000) 7.228 2.947 ( 0.000 -6.763 0.000) 6.763 3.023 ( 0.000 0.429 0.000) 0.429 3.118 ( 0.000 -4.197 0.000) 4.197 3.146 ( 0.000 3.227 0.000) 3.227 3.223 ( 0.000 -4.738 0.000) 4.738 3.332 ( 0.000 1.235 0.000) 1.235 3.391 ( 0.000 1.801 0.000) 1.801 3.515 ( 0.000 -0.467 0.000) 0.467 3.542 ( 0.000 2.462 0.000) 2.462 3.648 ( 0.000 -0.721 0.000) 0.721 3.675 ( 0.000 7.578 0.000) 7.578 3.707 ( 0.000 -1.800 0.000) 1.800 3.831 ( 0.000 -11.278 0.000) 11.278 3.873 ( 0.000 2.905 0.000) 2.905 4.084 ( 0.000 1.674 0.000) 1.674 4.133 ( 0.000 -9.427 0.000) 9.427 4.238 ( 0.000 -6.201 0.000) 6.201 4.242 ( 0.000 0.133 0.000) 0.133 4.453 ( 0.000 -7.182 0.000) 7.182 4.555 ( 0.000 8.623 0.000) 8.623 4.611 ( 0.000 -11.396 0.000) 11.396 4.897 ( 0.000 -1.329 0.000) 1.329 5.167 ( 0.000 0.484 0.000) 0.484 5.196 ( 0.000 2.081 0.000) 2.081 5.294 ( 0.000 0.821 0.000) 0.821 5.340 ( 0.000 -4.818 0.000) 4.818 6.121 ( 0.000 0.575 0.000) 0.575 6.238 ( 0.000 -1.930 0.000) 1.930 6.297 ( 0.000 -3.236 0.000) 3.236 6.344 ( 0.000 -5.486 0.000) 5.486 6.397 ( 0.000 1.579 0.000) 1.579 6.518 ( 0.000 -2.204 0.000) 2.204 6.597 ( 0.000 -1.755 0.000) 1.755 6.616 ( 0.000 -4.175 0.000) 4.175 6.771 ( 0.000 0.171 0.000) 0.171 6.837 ( 0.000 -0.648 0.000) 0.648 6.939 ( 0.000 6.622 0.000) 6.622 7.017 ( 0.000 -2.022 0.000) 2.022 7.035 ( 0.000 -1.545 0.000) 1.545 7.292 ( 0.000 5.120 0.000) 5.120 7.345 ( 0.000 -4.564 0.000) 4.564 7.616 ( 0.000 -4.047 0.000) 4.047 7.659 ( 0.000 2.023 0.000) 2.023 7.710 ( 0.000 4.691 0.000) 4.691 7.740 ( 0.000 3.135 0.000) 3.135 7.829 ( 0.000 -4.112 0.000) 4.112 8.161 ( 0.000 2.677 0.000) 2.677 8.246 ( 0.000 0.332 0.000) 0.332 8.348 ( 0.000 2.558 0.000) 2.558 8.639 ( 0.000 -5.771 0.000) 5.771 8.819 ( 0.000 1.035 0.000) 1.035 8.823 ( 0.000 0.845 0.000) 0.845 9.082 ( 0.000 0.188 0.000) 0.188 9.103 ( 0.000 -0.382 0.000) 0.382 9.770 ( 0.000 1.159 0.000) 1.159 9.772 ( 0.000 0.935 0.000) 0.935 9.808 ( 0.000 -0.319 0.000) 0.319 9.873 ( 0.000 -1.759 0.000) 1.759 10.045 ( 0.000 0.281 0.000) 0.281 10.097 ( 0.000 -1.339 0.000) 1.339 10.183 ( 0.000 1.894 0.000) 1.894 10.221 ( 0.000 0.500 0.000) 0.500 12.624 ( 0.000 0.177 0.000) 0.177 12.647 ( 0.000 -0.509 0.000) 0.509 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 6.901 -2.263 -2.064) 7.550 0.761 ( -0.681 0.985 0.946) 1.526 0.925 ( 2.445 11.083 -0.487) 11.360 0.991 ( 1.426 7.749 3.558) 8.646 1.081 ( 9.855 9.077 0.491) 13.407 1.318 ( -5.148 10.894 0.664) 12.067 1.611 ( 0.555 4.663 -4.429) 6.455 1.829 ( -4.242 1.831 -1.683) 4.917 1.893 ( 1.995 2.332 1.868) 3.593 1.925 ( 5.035 -1.428 -4.161) 6.687 1.993 ( 4.504 8.237 7.101) 11.771 2.097 ( -1.822 -4.540 2.221) 5.372 2.224 ( 1.966 12.405 1.812) 12.690 2.296 ( 0.266 -3.748 4.539) 5.892 2.356 ( 7.466 7.797 -3.244) 11.272 2.502 ( -0.444 4.854 1.521) 5.106 2.617 ( -5.675 -0.812 -0.844) 5.795 2.684 ( -2.966 4.924 0.799) 5.804 2.756 ( -1.589 -1.872 -2.304) 3.368 2.920 ( -1.800 -5.044 1.180) 5.484 2.938 ( 3.973 -6.522 -0.987) 7.701 3.075 ( 3.158 0.495 2.601) 4.121 3.117 ( -0.402 3.072 -0.972) 3.247 3.142 ( 0.246 -5.355 0.032) 5.361 3.235 ( -0.083 -4.308 3.172) 5.351 3.323 ( -0.772 0.721 -2.064) 2.318 3.405 ( 0.240 3.749 -2.358) 4.436 3.479 ( 0.325 -1.159 0.039) 1.204 3.538 ( -1.189 1.424 -1.231) 2.226 3.629 ( -1.130 -0.250 1.005) 1.533 3.678 ( -2.047 -1.591 1.296) 2.898 3.748 ( 3.214 2.157 -1.093) 4.022 3.840 ( 1.648 -3.227 1.901) 4.092 3.879 ( 1.798 1.646 -2.887) 3.778 4.015 ( -4.253 -2.293 -1.196) 4.978 4.188 ( 1.123 -4.712 1.880) 5.196 4.199 ( -0.427 -4.310 0.027) 4.331 4.277 ( 1.392 -2.119 -0.787) 2.655 4.411 ( -3.414 -5.244 -1.953) 6.555 4.490 ( -4.743 0.968 -0.245) 4.847 4.658 ( 3.286 -3.521 -2.629) 5.487 4.875 ( -2.736 -0.585 1.354) 3.108 5.165 ( 0.350 2.123 -0.426) 2.194 5.211 ( 0.759 1.401 2.074) 2.615 5.312 ( 1.049 0.083 1.709) 2.007 5.341 ( 0.246 -4.287 -0.641) 4.342 6.112 ( -0.948 0.712 0.077) 1.188 6.202 ( -3.127 -0.347 1.213) 3.372 6.272 ( -2.297 -3.433 -0.415) 4.152 6.347 ( -0.552 -3.009 -0.526) 3.105 6.425 ( 2.240 -1.582 2.100) 3.454 6.503 ( -1.278 -3.028 -1.044) 3.448 6.597 ( 1.096 -0.071 -0.521) 1.216 6.620 ( 0.354 -2.595 -0.458) 2.659 6.781 ( 0.549 0.242 0.565) 0.824 6.834 ( -0.011 -0.381 -0.607) 0.716 6.941 ( 0.375 4.360 0.182) 4.380 7.021 ( 3.194 0.490 -0.784) 3.325 7.115 ( 2.839 -2.466 2.534) 4.535 7.255 ( -2.630 3.689 4.447) 6.349 7.378 ( 2.768 -3.519 -3.436) 5.644 7.610 ( -2.044 -3.209 5.031) 6.307 7.656 ( 1.564 1.365 -6.924) 7.229 7.693 ( -1.754 2.861 -1.230) 3.574 7.739 ( -0.428 2.790 3.086) 4.182 7.810 ( -0.832 -2.973 -3.790) 4.889 8.135 ( -2.989 2.542 2.770) 4.802 8.212 ( -1.983 0.693 -2.575) 3.323 8.372 ( 1.593 0.850 -0.485) 1.870 8.611 ( -2.283 -5.354 -0.866) 5.884 8.814 ( -0.679 0.894 0.942) 1.465 8.827 ( 0.351 0.791 -0.137) 0.877 9.020 ( -4.214 2.401 -2.076) 5.276 9.086 ( -1.555 -0.546 -0.256) 1.668 9.764 ( -0.389 1.254 -0.621) 1.452 9.779 ( 0.618 0.889 0.401) 1.155 9.821 ( 0.468 -0.849 1.314) 1.633 9.866 ( -0.600 -1.627 -0.243) 1.751 10.043 ( -0.150 0.524 0.165) 0.569 10.099 ( 0.206 -1.217 -0.340) 1.280 10.184 ( 0.100 1.954 0.190) 1.966 10.228 ( 0.389 -0.054 0.393) 0.555 12.628 ( 0.399 0.249 0.032) 0.471 12.652 ( 0.457 -0.391 -0.024) 0.602 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 2.386 0.878 -0.576) 2.607 0.845 ( 6.875 -1.762 -2.010) 7.376 0.942 ( 1.189 3.969 0.010) 4.144 1.148 ( 11.050 3.101 1.656) 11.596 1.182 ( -0.593 6.686 0.840) 6.764 1.356 ( 9.265 9.172 5.971) 14.339 1.616 ( 2.463 2.577 -2.346) 4.268 1.772 ( -2.155 2.519 2.064) 3.905 1.914 ( 0.036 2.069 -2.800) 3.482 1.972 ( 2.136 -2.971 -2.085) 4.211 2.032 ( -2.044 0.425 -0.537) 2.155 2.089 ( -3.029 -1.362 -3.764) 5.020 2.203 ( -0.379 2.102 3.019) 3.698 2.307 ( -3.416 -5.143 9.395) 11.242 2.487 ( 2.354 0.747 -1.558) 2.920 2.541 ( 4.976 0.978 -1.395) 5.259 2.573 ( 0.084 4.599 2.657) 5.312 2.634 ( -0.853 3.408 -0.794) 3.602 2.736 ( 1.310 0.819 0.091) 1.547 2.886 ( -2.209 -3.501 1.601) 4.439 2.999 ( 2.071 -3.932 -2.242) 4.978 3.094 ( -1.022 -0.233 0.976) 1.432 3.145 ( 2.048 -3.728 1.908) 4.662 3.164 ( 2.804 0.848 3.194) 4.334 3.238 ( -0.775 -2.510 -2.260) 3.465 3.298 ( 0.261 0.266 0.375) 0.529 3.362 ( -2.269 2.183 -1.967) 3.713 3.474 ( -1.556 0.291 -1.825) 2.416 3.573 ( 4.338 0.538 -0.432) 4.393 3.622 ( -1.138 -2.005 2.037) 3.076 3.645 ( -0.456 -1.033 0.608) 1.282 3.748 ( -1.955 -2.128 -0.740) 2.983 3.846 ( -1.468 3.194 -2.265) 4.181 3.952 ( 2.265 -0.313 -1.103) 2.539 3.973 ( 4.156 1.720 -0.126) 4.500 4.162 ( -1.687 -0.755 -0.777) 2.005 4.217 ( -1.882 -4.928 2.173) 5.705 4.263 ( -2.874 1.059 -1.868) 3.587 4.342 ( -1.887 -4.566 -1.322) 5.114 4.396 ( -3.926 -0.845 -1.076) 4.158 4.687 ( 1.146 -0.280 -2.476) 2.743 4.817 ( -3.676 1.796 1.706) 4.433 5.183 ( 1.248 3.019 0.941) 3.400 5.231 ( 0.398 1.460 0.854) 1.737 5.335 ( 0.668 -1.018 0.178) 1.230 5.346 ( 0.367 -2.243 1.005) 2.485 6.091 ( -1.162 0.942 0.267) 1.519 6.147 ( -3.143 -0.036 0.835) 3.252 6.231 ( -1.735 -1.775 0.869) 2.630 6.321 ( -1.061 -0.822 -2.306) 2.668 6.462 ( -1.225 -6.912 3.549) 7.866 6.484 ( 1.244 -2.668 -1.513) 3.310 6.625 ( 0.529 1.821 0.829) 2.070 6.642 ( 3.313 2.183 -1.262) 4.164 6.804 ( 1.939 0.689 0.435) 2.103 6.836 ( 0.599 0.937 -0.417) 1.188 6.946 ( -0.164 2.430 -0.497) 2.486 7.071 ( -2.244 2.295 2.249) 3.919 7.130 ( 2.987 0.007 -1.262) 3.243 7.290 ( 2.551 -0.114 4.713) 5.360 7.397 ( 0.698 -3.205 -1.821) 3.752 7.576 ( -4.055 -0.312 2.911) 5.002 7.642 ( -0.397 0.077 -2.569) 2.600 7.657 ( 0.184 -3.193 -6.076) 6.866 7.752 ( -0.137 1.215 3.191) 3.418 7.780 ( -0.059 -0.680 -2.803) 2.885 8.098 ( -2.687 0.313 4.770) 5.484 8.156 ( -1.877 -0.459 -5.347) 5.685 8.389 ( 0.448 -0.250 0.295) 0.591 8.567 ( -1.674 -5.338 -0.474) 5.614 8.804 ( -0.772 0.932 0.950) 1.538 8.834 ( 0.433 0.656 0.121) 0.795 8.952 ( -2.056 2.683 -0.928) 3.505 9.049 ( -1.983 -0.653 -0.397) 2.125 9.754 ( -0.274 1.175 -0.557) 1.329 9.794 ( 0.635 0.912 0.461) 1.203 9.823 ( -0.532 -1.153 -0.265) 1.298 9.857 ( -0.301 -0.999 0.473) 1.146 10.043 ( 0.023 0.606 0.232) 0.649 10.100 ( 0.035 -0.905 -0.371) 0.979 10.187 ( 0.029 2.123 0.189) 2.132 10.233 ( -0.127 -0.153 0.311) 0.370 12.638 ( 0.621 0.419 0.034) 0.750 12.661 ( 0.452 -0.138 -0.026) 0.473 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.464 6.711 -0.285) 6.733 0.955 ( 4.734 -1.446 -0.340) 4.962 0.991 ( 3.143 0.683 -0.403) 3.241 1.100 ( -4.623 -1.317 -0.210) 4.811 1.393 ( 8.734 1.187 0.133) 8.815 1.569 ( 8.373 3.322 4.647) 10.135 1.694 ( 5.441 1.739 2.279) 6.150 1.745 ( -2.489 1.095 1.593) 3.152 1.857 ( -4.012 1.521 -4.175) 5.987 1.968 ( -2.655 1.082 -0.556) 2.920 1.972 ( -0.188 -1.078 -3.939) 4.088 2.000 ( -3.772 5.497 -0.650) 6.699 2.168 ( -2.853 -4.092 1.821) 5.310 2.359 ( 2.924 -6.480 6.652) 9.736 2.470 ( -0.223 -1.992 -5.253) 5.622 2.527 ( -2.614 -5.025 -0.244) 5.670 2.627 ( 1.919 1.865 0.372) 2.702 2.648 ( 0.268 1.192 1.478) 1.917 2.793 ( 3.331 -3.091 -1.425) 4.762 2.864 ( -0.934 -5.806 3.266) 6.727 2.968 ( -2.763 -3.507 -1.942) 4.869 3.087 ( 0.031 1.078 0.633) 1.250 3.191 ( -1.154 1.098 -0.944) 1.851 3.202 ( 1.189 -1.918 0.935) 2.443 3.247 ( 2.188 3.286 -0.263) 3.957 3.348 ( 1.399 -2.111 1.372) 2.880 3.372 ( 6.763 3.846 2.183) 8.080 3.417 ( -3.224 -2.593 -1.072) 4.274 3.560 ( -4.429 -2.726 -1.584) 5.436 3.625 ( 0.230 0.094 0.028) 0.250 3.692 ( 3.233 -0.067 -0.364) 3.254 3.721 ( 0.635 -1.109 1.367) 1.871 3.801 ( -2.323 4.686 -1.596) 5.469 3.981 ( 1.740 -0.549 -0.874) 2.023 4.054 ( 2.441 5.236 -0.793) 5.831 4.111 ( -3.133 1.252 0.314) 3.388 4.153 ( -2.798 1.194 -0.978) 3.196 4.190 ( -2.594 -0.447 -0.431) 2.667 4.333 ( 0.671 -4.635 -0.539) 4.714 4.353 ( -1.143 -1.718 0.436) 2.109 4.684 ( -0.258 1.763 -0.682) 1.908 4.774 ( -1.298 3.647 0.683) 3.931 5.212 ( 1.042 2.794 1.329) 3.265 5.231 ( -0.365 1.739 -0.752) 1.929 5.343 ( 0.283 -0.711 -0.087) 0.770 5.356 ( 0.126 -1.068 0.677) 1.271 6.078 ( -0.276 0.696 0.248) 0.789 6.102 ( -1.633 0.291 0.106) 1.662 6.216 ( -0.417 -0.798 0.776) 1.189 6.295 ( -0.483 -0.287 -1.333) 1.446 6.450 ( -0.501 -6.121 0.440) 6.157 6.500 ( 0.262 -5.921 0.531) 5.950 6.639 ( 0.489 4.812 0.436) 4.856 6.691 ( 1.746 4.886 -0.507) 5.213 6.847 ( 1.858 2.036 0.465) 2.795 6.858 ( 1.677 0.093 -0.323) 1.711 6.927 ( -1.300 2.698 -0.405) 3.022 7.000 ( -3.573 3.059 0.728) 4.760 7.205 ( 3.420 0.160 -0.812) 3.518 7.333 ( -0.589 -1.691 2.044) 2.717 7.416 ( 2.630 -2.661 1.118) 3.905 7.498 ( -4.031 -0.311 -1.652) 4.367 7.630 ( -1.398 -4.201 4.019) 5.979 7.635 ( 1.107 -1.670 -6.596) 6.894 7.762 ( 0.281 0.223 0.197) 0.410 7.780 ( 0.232 -1.304 0.384) 1.379 8.082 ( -1.778 -1.287 5.710) 6.117 8.103 ( -0.255 -1.866 -6.408) 6.679 8.397 ( 0.175 -1.014 0.668) 1.227 8.546 ( -0.505 -5.744 -0.245) 5.772 8.797 ( -0.328 1.203 0.397) 1.308 8.842 ( 0.220 0.608 0.099) 0.654 8.928 ( -0.452 1.824 -0.192) 1.889 9.018 ( -0.950 -0.484 -0.231) 1.091 9.750 ( -0.025 1.012 -0.138) 1.022 9.805 ( 0.244 0.924 0.192) 0.975 9.809 ( -0.443 -1.031 -0.456) 1.211 9.856 ( -0.055 -0.553 0.290) 0.627 10.045 ( 0.020 0.573 0.104) 0.583 10.099 ( 0.009 -0.791 -0.143) 0.804 10.187 ( -0.012 2.282 0.080) 2.283 10.230 ( -0.155 0.113 0.104) 0.218 12.648 ( 0.334 0.565 0.016) 0.656 12.667 ( 0.145 0.054 -0.013) 0.156 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 1.790 0.000) 1.790 0.711 ( 0.000 -4.355 0.000) 4.355 1.037 ( 0.000 2.332 0.000) 2.332 1.046 ( 0.000 2.208 0.000) 2.208 1.325 ( 0.000 18.433 0.000) 18.433 1.599 ( 0.000 -7.999 0.000) 7.999 1.675 ( 0.000 13.713 0.000) 13.713 1.818 ( 0.000 -2.660 0.000) 2.660 1.874 ( 0.000 -1.161 0.000) 1.161 1.884 ( 0.000 -3.058 0.000) 3.058 1.987 ( 0.000 1.250 0.000) 1.250 2.058 ( 0.000 -4.905 0.000) 4.905 2.247 ( 0.000 3.001 0.000) 3.001 2.283 ( 0.000 0.285 0.000) 0.285 2.607 ( 0.000 4.694 0.000) 4.694 2.642 ( 0.000 1.174 0.000) 1.174 2.723 ( 0.000 12.727 0.000) 12.727 2.755 ( 0.000 -4.875 0.000) 4.875 2.773 ( 0.000 -0.714 0.000) 0.714 2.874 ( 0.000 5.844 0.000) 5.844 2.922 ( 0.000 -7.901 0.000) 7.901 2.962 ( 0.000 19.520 0.000) 19.520 3.035 ( 0.000 -8.237 0.000) 8.237 3.172 ( 0.000 0.155 0.000) 0.155 3.218 ( 0.000 3.682 0.000) 3.682 3.353 ( 0.000 1.408 0.000) 1.408 3.379 ( 0.000 -2.651 0.000) 2.651 3.477 ( 0.000 -13.011 0.000) 13.011 3.570 ( 0.000 -0.239 0.000) 0.239 3.575 ( 0.000 -6.112 0.000) 6.112 3.662 ( 0.000 0.637 0.000) 0.637 3.668 ( 0.000 -0.333 0.000) 0.333 3.865 ( 0.000 10.491 0.000) 10.491 3.911 ( 0.000 1.439 0.000) 1.439 3.969 ( 0.000 -6.016 0.000) 6.016 4.072 ( 0.000 -10.358 0.000) 10.358 4.164 ( 0.000 6.643 0.000) 6.643 4.281 ( 0.000 4.163 0.000) 4.163 4.312 ( 0.000 -7.851 0.000) 7.851 4.404 ( 0.000 -8.959 0.000) 8.959 4.713 ( 0.000 7.607 0.000) 7.607 4.836 ( 0.000 -4.959 0.000) 4.959 5.190 ( 0.000 1.876 0.000) 1.876 5.224 ( 0.000 -0.379 0.000) 0.379 5.276 ( 0.000 -0.826 0.000) 0.826 5.292 ( 0.000 -0.977 0.000) 0.977 6.133 ( 0.000 1.295 0.000) 1.295 6.181 ( 0.000 -3.458 0.000) 3.458 6.257 ( 0.000 -0.915 0.000) 0.915 6.267 ( 0.000 -2.140 0.000) 2.140 6.433 ( 0.000 2.103 0.000) 2.103 6.476 ( 0.000 -2.356 0.000) 2.356 6.569 ( 0.000 -0.711 0.000) 0.711 6.573 ( 0.000 -0.854 0.000) 0.854 6.788 ( 0.000 1.500 0.000) 1.500 6.819 ( 0.000 -1.413 0.000) 1.413 6.995 ( 0.000 -0.267 0.000) 0.267 7.004 ( 0.000 -0.986 0.000) 0.986 7.081 ( 0.000 7.475 0.000) 7.475 7.227 ( 0.000 -7.305 0.000) 7.305 7.401 ( 0.000 6.112 0.000) 6.112 7.518 ( 0.000 -5.808 0.000) 5.808 7.702 ( 0.000 2.485 0.000) 2.485 7.756 ( 0.000 -3.313 0.000) 3.313 7.779 ( 0.000 2.061 0.000) 2.061 7.786 ( 0.000 1.261 0.000) 1.261 8.208 ( 0.000 2.178 0.000) 2.178 8.240 ( 0.000 -1.030 0.000) 1.030 8.418 ( 0.000 4.674 0.000) 4.674 8.523 ( 0.000 -6.050 0.000) 6.050 8.834 ( 0.000 0.513 0.000) 0.513 8.836 ( 0.000 0.362 0.000) 0.362 9.087 ( 0.000 0.327 0.000) 0.327 9.095 ( 0.000 -0.433 0.000) 0.433 9.786 ( 0.000 0.765 0.000) 0.765 9.799 ( 0.000 -0.580 0.000) 0.580 9.801 ( 0.000 1.767 0.000) 1.767 9.837 ( 0.000 -1.969 0.000) 1.969 10.056 ( 0.000 0.755 0.000) 0.755 10.073 ( 0.000 -1.083 0.000) 1.083 10.212 ( 0.000 1.103 0.000) 1.103 10.224 ( 0.000 -0.212 0.000) 0.212 12.629 ( 0.000 0.351 0.000) 0.351 12.637 ( 0.000 -0.498 0.000) 0.498 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 5.334 0.524 -2.356) 5.855 0.731 ( 2.782 -2.546 -1.473) 4.049 1.037 ( 0.379 3.704 -0.939) 3.840 1.073 ( 2.633 0.347 -0.676) 2.740 1.357 ( 2.671 14.853 1.525) 15.168 1.517 ( -4.763 2.500 -0.726) 5.428 1.718 ( 2.019 8.598 -2.866) 9.285 1.819 ( 0.318 -0.608 -0.404) 0.796 1.870 ( 0.213 -4.341 -4.609) 6.335 1.899 ( 1.932 -3.804 2.171) 4.787 1.987 ( -0.644 0.257 4.265) 4.321 2.044 ( -0.862 -3.612 0.329) 3.728 2.250 ( -2.159 1.748 6.626) 7.185 2.318 ( 0.120 -2.390 1.789) 2.988 2.521 ( -3.073 5.806 -2.337) 6.972 2.566 ( -6.390 -1.154 -1.859) 6.754 2.717 ( -3.034 -1.015 2.566) 4.102 2.730 ( -1.059 3.170 1.990) 3.890 2.779 ( -1.055 4.997 -4.326) 6.693 2.808 ( -3.108 -1.050 -2.486) 4.116 2.980 ( 0.185 -0.592 2.792) 2.860 3.000 ( 4.569 -4.981 2.195) 7.107 3.066 ( 3.988 8.711 0.074) 9.581 3.193 ( 1.062 -0.499 1.261) 1.722 3.229 ( 0.159 6.794 -0.167) 6.798 3.347 ( -0.868 1.379 -0.637) 1.749 3.428 ( 5.172 -1.523 0.724) 5.440 3.475 ( -0.860 -1.781 -0.387) 2.016 3.539 ( -3.117 -1.075 -0.110) 3.299 3.579 ( 0.693 -8.432 2.813) 8.916 3.641 ( -1.209 1.003 0.617) 1.688 3.676 ( 0.202 -3.726 -1.421) 3.993 3.896 ( -0.596 1.129 0.031) 1.277 3.912 ( 2.072 2.586 2.193) 3.973 3.968 ( 1.914 0.932 -2.151) 3.026 4.097 ( 2.873 -6.914 -1.935) 7.733 4.155 ( -0.913 3.210 0.172) 3.342 4.249 ( -2.062 -3.543 -0.686) 4.156 4.326 ( 0.798 -0.436 -2.041) 2.235 4.399 ( -0.542 -6.225 -2.089) 6.589 4.721 ( 1.005 6.194 -0.867) 6.334 4.827 ( -0.946 -4.318 0.337) 4.433 5.205 ( 1.377 2.318 0.452) 2.733 5.244 ( 1.539 0.239 1.649) 2.268 5.276 ( 0.234 -1.127 -0.717) 1.356 5.300 ( 0.607 -1.375 0.560) 1.604 6.124 ( -0.848 1.154 0.001) 1.432 6.165 ( -1.672 -2.888 0.206) 3.344 6.245 ( -1.128 0.603 1.915) 2.303 6.281 ( 0.295 -3.049 2.285) 3.821 6.421 ( -1.249 0.971 -1.306) 2.052 6.453 ( -1.458 -2.277 -2.626) 3.769 6.597 ( 2.955 -0.148 -0.890) 3.090 6.598 ( 3.153 -0.043 -0.434) 3.183 6.790 ( 0.288 0.826 0.657) 1.094 6.813 ( 0.104 -1.382 0.639) 1.527 7.009 ( 0.498 2.622 2.580) 3.712 7.061 ( 2.528 -2.884 2.903) 4.810 7.092 ( 2.624 6.476 -2.643) 7.470 7.226 ( 0.622 -6.562 -0.661) 6.624 7.394 ( -0.860 5.372 0.277) 5.447 7.509 ( -1.350 -6.126 1.791) 6.524 7.695 ( -0.117 2.233 -3.458) 4.118 7.733 ( -2.144 -0.791 -3.870) 4.494 7.770 ( -0.382 0.169 0.672) 0.791 7.775 ( -1.194 0.716 1.430) 1.996 8.183 ( -2.842 2.288 0.625) 3.702 8.215 ( -2.441 -0.803 -0.745) 2.676 8.411 ( -0.677 3.505 0.147) 3.573 8.502 ( -1.913 -5.640 -0.163) 5.958 8.830 ( -0.535 0.637 0.547) 0.995 8.835 ( -0.111 0.111 0.270) 0.312 9.053 ( -2.837 1.255 -0.672) 3.174 9.073 ( -1.990 -0.854 -0.211) 2.176 9.788 ( -0.152 1.111 -0.361) 1.178 9.801 ( 0.345 1.420 0.219) 1.478 9.806 ( 0.271 -0.804 0.335) 0.912 9.833 ( -0.210 -1.793 -0.204) 1.817 10.057 ( 0.099 0.901 0.144) 0.918 10.077 ( 0.249 -1.125 0.002) 1.152 10.214 ( 0.168 1.088 0.034) 1.101 10.227 ( 0.165 -0.290 0.093) 0.346 12.635 ( 0.544 0.425 0.015) 0.690 12.644 ( 0.592 -0.487 -0.004) 0.766 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 6.132 -0.008 -1.838) 6.401 0.811 ( 6.918 -1.170 -2.835) 7.567 1.037 ( -0.093 5.055 -0.607) 5.092 1.114 ( 0.879 -2.888 -0.526) 3.064 1.405 ( 1.281 9.658 0.830) 9.778 1.485 ( 1.955 1.836 2.132) 3.426 1.729 ( 1.452 10.314 -1.807) 10.571 1.824 ( -0.174 2.573 1.162) 2.828 1.874 ( 2.752 -3.342 -4.652) 6.354 1.937 ( 1.116 -5.360 -1.596) 5.702 2.008 ( 0.595 -3.129 4.330) 5.375 2.021 ( -2.900 -1.869 1.635) 3.818 2.223 ( -4.590 -0.387 1.771) 4.935 2.242 ( -3.999 -1.828 3.623) 5.697 2.466 ( -2.864 2.565 -1.244) 4.041 2.551 ( 3.228 -2.068 0.570) 3.876 2.625 ( -6.731 3.687 0.888) 7.726 2.717 ( -1.645 -0.760 1.213) 2.181 2.726 ( -1.500 0.143 -3.162) 3.502 2.747 ( -1.894 -7.139 -0.402) 7.397 2.998 ( 0.306 1.209 1.344) 1.833 3.083 ( 3.380 -4.997 0.641) 6.067 3.124 ( 1.394 4.057 -1.174) 4.448 3.194 ( -1.122 -2.276 -0.597) 2.607 3.257 ( 2.324 8.932 3.895) 10.017 3.334 ( -0.362 1.375 3.547) 3.821 3.418 ( -3.735 2.690 -1.132) 4.740 3.460 ( -4.449 -2.076 -0.702) 4.960 3.548 ( 3.919 1.099 2.154) 4.605 3.613 ( 1.049 -1.107 -0.852) 1.747 3.641 ( 2.038 0.221 -0.939) 2.255 3.677 ( 1.626 -4.305 -0.400) 4.619 3.885 ( -0.488 1.319 0.122) 1.411 3.929 ( 1.221 -2.483 -0.467) 2.806 4.062 ( 6.200 5.917 -0.087) 8.571 4.135 ( -1.585 -0.694 1.521) 2.304 4.140 ( 1.533 -2.273 -1.002) 2.919 4.218 ( 0.151 -6.635 -1.940) 6.914 4.309 ( -1.378 1.880 -2.890) 3.713 4.353 ( -2.826 -2.518 -2.768) 4.689 4.738 ( 1.179 4.310 -1.138) 4.611 4.810 ( -1.023 -2.456 0.880) 2.803 5.238 ( 1.498 2.706 0.665) 3.164 5.270 ( 0.071 1.830 -0.413) 1.877 5.293 ( 1.849 -2.035 1.313) 3.047 5.316 ( 0.810 -1.757 0.532) 2.006 6.105 ( -0.994 0.860 0.004) 1.314 6.129 ( -1.967 -1.464 0.135) 2.455 6.237 ( -1.106 2.181 3.333) 4.134 6.296 ( 0.182 -3.016 2.003) 3.625 6.375 ( -2.494 -0.629 -1.166) 2.824 6.413 ( -1.052 -3.587 -3.178) 4.907 6.667 ( 4.332 1.802 -0.474) 4.715 6.677 ( 5.158 0.869 -0.705) 5.278 6.813 ( 1.895 0.701 0.848) 2.191 6.835 ( 1.405 -1.136 1.065) 2.097 7.002 ( -1.669 3.718 0.688) 4.133 7.073 ( -2.410 -2.867 1.695) 4.112 7.164 ( 5.155 4.645 -1.388) 7.077 7.269 ( 3.748 -5.040 0.682) 6.318 7.374 ( -1.493 3.938 0.855) 4.297 7.487 ( -2.180 -6.682 2.673) 7.520 7.648 ( -3.985 1.093 -4.837) 6.362 7.656 ( -1.748 0.292 -4.943) 5.251 7.765 ( -0.179 0.385 0.461) 0.626 7.773 ( -0.244 -0.364 1.392) 1.460 8.119 ( -3.837 1.721 1.271) 4.393 8.148 ( -3.612 -0.898 -1.836) 4.150 8.398 ( -0.775 1.792 0.539) 2.026 8.464 ( -1.745 -4.869 0.172) 5.175 8.823 ( -0.458 0.898 0.651) 1.200 8.836 ( -0.004 -0.370 0.436) 0.572 8.999 ( -2.314 2.076 -0.378) 3.132 9.031 ( -2.082 -1.301 -0.226) 2.465 9.778 ( -0.386 1.274 -0.754) 1.530 9.801 ( -0.471 -1.166 -0.781) 1.480 9.814 ( 0.570 1.086 0.586) 1.359 9.835 ( 0.294 -1.157 0.590) 1.332 10.060 ( 0.074 1.020 0.148) 1.034 10.080 ( 0.110 -1.075 -0.028) 1.081 10.217 ( 0.153 1.072 0.052) 1.084 10.230 ( 0.075 -0.288 0.105) 0.316 12.647 ( 0.743 0.506 0.017) 0.899 12.656 ( 0.675 -0.379 -0.004) 0.774 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 4.203 2.768 -0.854) 5.104 0.930 ( 6.016 -1.114 -1.599) 6.324 1.024 ( -0.590 2.766 -0.250) 2.840 1.073 ( -4.574 -1.904 0.446) 4.975 1.447 ( 2.345 4.319 -0.144) 4.916 1.547 ( 2.017 -5.133 1.662) 5.760 1.766 ( 1.985 6.565 1.192) 6.961 1.811 ( -1.790 3.946 1.772) 4.681 1.898 ( -0.677 2.380 -4.580) 5.206 1.942 ( 4.127 -1.604 -1.437) 4.655 1.966 ( -1.649 -1.278 -0.879) 2.264 2.026 ( -2.771 -6.175 3.516) 7.628 2.157 ( -0.839 4.854 -0.078) 4.927 2.256 ( 1.688 -4.656 3.293) 5.947 2.418 ( -1.469 1.178 -0.785) 2.040 2.480 ( -5.711 -1.374 -1.404) 6.039 2.616 ( 0.574 -1.974 1.296) 2.431 2.667 ( -0.803 -6.502 -0.400) 6.564 2.710 ( -0.518 0.589 -0.222) 0.815 2.750 ( 0.786 -3.165 -0.247) 3.270 3.001 ( -0.226 6.854 0.523) 6.878 3.130 ( 1.225 -0.083 0.016) 1.228 3.138 ( 0.784 -3.241 -0.452) 3.365 3.169 ( -0.925 -1.887 0.179) 2.109 3.301 ( 1.140 2.067 0.378) 2.391 3.344 ( -1.198 -0.068 1.532) 1.946 3.362 ( -2.530 -1.626 0.926) 3.147 3.394 ( -0.610 -2.644 -0.073) 2.714 3.554 ( -0.949 4.502 0.112) 4.602 3.627 ( 0.458 -1.912 -0.327) 1.994 3.706 ( 1.628 1.101 -0.343) 1.995 3.717 ( 2.809 0.149 -0.146) 2.817 3.889 ( 0.781 4.313 0.209) 4.388 3.960 ( 1.604 -2.333 -0.385) 2.858 4.103 ( -1.546 0.342 0.027) 1.583 4.137 ( -0.800 -2.230 0.282) 2.386 4.158 ( 3.763 4.662 0.168) 5.994 4.222 ( -2.000 1.306 -1.117) 2.637 4.266 ( 0.400 -2.111 -1.019) 2.378 4.297 ( -1.556 -2.938 -1.532) 3.660 4.750 ( 0.476 3.968 -0.547) 4.034 4.801 ( -0.310 -0.872 0.608) 1.107 5.259 ( 0.340 1.960 0.569) 2.069 5.267 ( 0.090 1.370 -0.644) 1.517 5.326 ( 0.805 -0.833 0.733) 1.371 5.331 ( 0.462 -1.312 0.152) 1.399 6.091 ( -0.434 0.683 0.014) 0.809 6.102 ( -0.817 -0.320 0.024) 0.878 6.234 ( -0.544 2.768 1.855) 3.376 6.304 ( 0.158 -0.859 -0.083) 0.877 6.335 ( -1.130 -2.893 0.188) 3.112 6.389 ( -0.278 -5.005 -1.276) 5.172 6.730 ( 1.960 3.763 -0.082) 4.244 6.758 ( 2.859 1.216 -0.412) 3.134 6.859 ( 1.819 0.270 0.219) 1.852 6.868 ( 1.644 -0.113 0.960) 1.907 6.969 ( -1.559 2.600 -0.140) 3.035 7.019 ( -2.786 -1.468 0.122) 3.151 7.246 ( 3.663 4.036 -0.829) 5.513 7.337 ( 1.561 -4.115 -0.804) 4.474 7.349 ( -1.006 2.847 3.180) 4.385 7.459 ( -1.447 -6.571 1.262) 6.845 7.558 ( -2.704 1.563 -2.674) 4.112 7.606 ( -1.044 -2.369 -2.620) 3.684 7.767 ( 0.133 0.400 -0.005) 0.422 7.774 ( -0.144 -0.247 0.645) 0.706 8.072 ( -1.655 0.286 1.764) 2.436 8.083 ( -1.730 -0.620 -2.045) 2.750 8.390 ( -0.324 0.859 0.398) 1.000 8.443 ( -0.630 -4.504 0.090) 4.548 8.820 ( -0.126 1.154 0.300) 1.199 8.839 ( 0.075 -0.701 0.221) 0.738 8.968 ( -0.803 2.065 -0.089) 2.218 9.001 ( -0.862 -1.308 -0.114) 1.571 9.770 ( -0.131 1.076 -0.299) 1.124 9.790 ( -0.262 -1.001 -0.453) 1.129 9.824 ( 0.221 1.018 0.243) 1.070 9.842 ( 0.127 -0.882 0.271) 0.932 10.061 ( 0.015 1.023 0.060) 1.025 10.081 ( 0.016 -1.016 -0.016) 1.016 10.219 ( 0.048 1.064 0.025) 1.066 10.230 ( -0.005 -0.171 0.043) 0.176 12.659 ( 0.362 0.486 0.008) 0.606 12.666 ( 0.269 -0.209 -0.003) 0.341 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -8.780 0.000 19.145) 21.062 0.473 ( -0.385 0.000 22.890) 22.894 0.807 ( 4.599 0.000 33.481) 33.795 0.818 ( 0.729 0.000 -1.128) 1.343 1.049 ( 6.636 0.000 4.848) 8.218 1.076 ( 3.076 0.000 2.504) 3.967 1.233 ( -2.178 0.000 0.112) 2.180 1.600 ( -4.781 0.000 -1.652) 5.058 1.691 ( 6.967 0.000 -8.980) 11.366 1.710 ( 10.568 0.000 -12.950) 16.714 1.908 ( -0.038 0.000 0.109) 0.115 2.052 ( -6.733 0.000 4.855) 8.301 2.244 ( -2.743 0.000 3.175) 4.196 2.376 ( -5.410 0.000 -5.143) 7.465 2.388 ( 0.071 0.000 3.887) 3.888 2.511 ( -0.332 0.000 8.213) 8.220 2.643 ( 6.408 0.000 1.885) 6.680 2.760 ( -2.104 0.000 -2.467) 3.242 2.810 ( 1.708 0.000 0.457) 1.768 3.032 ( -1.469 0.000 -1.433) 2.052 3.048 ( 6.540 0.000 0.775) 6.586 3.122 ( 2.873 0.000 -0.019) 2.873 3.132 ( -4.064 0.000 1.418) 4.304 3.221 ( 0.585 0.000 -0.523) 0.785 3.260 ( 0.161 0.000 -0.613) 0.634 3.292 ( -1.033 0.000 1.193) 1.578 3.347 ( -1.750 0.000 1.937) 2.611 3.451 ( -1.005 0.000 0.027) 1.005 3.515 ( 0.750 0.000 -2.400) 2.514 3.595 ( 1.741 0.000 -9.999) 10.149 3.625 ( 2.353 0.000 3.299) 4.052 3.794 ( -2.470 0.000 0.146) 2.474 3.816 ( 0.496 0.000 2.121) 2.178 3.953 ( -5.083 0.000 -7.028) 8.674 4.135 ( 5.474 0.000 1.177) 5.599 4.197 ( -1.279 0.000 -4.612) 4.786 4.246 ( -0.685 0.000 0.275) 0.739 4.309 ( -3.580 0.000 -0.205) 3.586 4.481 ( -2.647 0.000 5.504) 6.107 4.669 ( -1.712 0.000 0.166) 1.720 4.771 ( 3.904 0.000 -2.160) 4.461 4.843 ( -0.450 0.000 -5.998) 6.015 5.091 ( 0.760 0.000 3.733) 3.810 5.227 ( 0.405 0.000 -0.534) 0.670 5.466 ( 15.193 0.000 0.462) 15.200 5.498 ( -3.189 0.000 -0.354) 3.209 6.111 ( -0.284 0.000 1.585) 1.610 6.226 ( 9.893 0.000 -1.091) 9.953 6.418 ( -0.994 0.000 0.230) 1.020 6.469 ( 0.407 0.000 2.023) 2.063 6.528 ( -5.556 0.000 -3.556) 6.597 6.613 ( 1.464 0.000 -1.181) 1.881 6.702 ( -1.042 0.000 0.126) 1.050 6.732 ( -2.548 0.000 2.775) 3.767 6.738 ( 0.757 0.000 -0.221) 0.789 6.779 ( 1.385 0.000 -0.932) 1.669 6.841 ( -1.047 0.000 0.050) 1.048 6.844 ( 1.192 0.000 -1.428) 1.860 7.069 ( -3.921 0.000 -0.042) 3.921 7.150 ( 4.990 0.000 -2.027) 5.386 7.168 ( 4.484 0.000 5.431) 7.043 7.434 ( -2.207 0.000 2.456) 3.302 7.566 ( 1.313 0.000 4.020) 4.230 7.637 ( -0.421 0.000 -1.206) 1.277 7.657 ( -0.878 0.000 -6.127) 6.190 7.867 ( -1.672 0.000 -4.646) 4.937 8.176 ( 1.796 0.000 5.523) 5.808 8.301 ( 2.505 0.000 -0.858) 2.648 8.553 ( -27.289 0.000 0.961) 27.305 8.611 ( -0.165 0.000 0.669) 0.689 8.791 ( 0.831 0.000 0.278) 0.877 8.849 ( -0.545 0.000 2.328) 2.390 8.857 ( 0.145 0.000 -1.536) 1.542 9.082 ( 0.406 0.000 -2.892) 2.920 9.738 ( -0.527 0.000 -0.147) 0.547 9.750 ( 0.291 0.000 -0.289) 0.410 9.917 ( -0.259 0.000 0.580) 0.635 9.964 ( 2.530 0.000 -0.628) 2.607 10.058 ( 0.464 0.000 0.667) 0.813 10.094 ( -0.599 0.000 0.073) 0.604 10.142 ( -0.312 0.000 0.570) 0.649 10.203 ( 3.647 0.000 -0.596) 3.695 12.625 ( -0.045 0.000 0.352) 0.355 12.655 ( 0.045 0.000 -0.364) 0.367 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 18.951 0.000 9.767) 21.320 0.739 ( 13.948 0.000 14.155) 19.872 0.855 ( 0.199 0.000 1.630) 1.642 0.950 ( 4.450 0.000 2.163) 4.948 1.113 ( 1.111 0.000 4.231) 4.375 1.198 ( -0.764 0.000 -0.442) 0.883 1.459 ( 21.056 0.000 21.932) 30.404 1.536 ( 0.389 0.000 -4.493) 4.510 1.713 ( 0.109 0.000 -4.766) 4.767 1.825 ( 11.191 0.000 -9.322) 14.564 1.960 ( -4.321 0.000 -0.865) 4.407 1.992 ( 7.795 0.000 -0.812) 7.837 2.202 ( -2.722 0.000 5.118) 5.797 2.262 ( -4.964 0.000 1.565) 5.205 2.361 ( -2.993 0.000 -0.088) 2.994 2.540 ( -0.441 0.000 9.842) 9.852 2.637 ( -4.604 0.000 -4.424) 6.385 2.782 ( 4.821 0.000 2.056) 5.241 2.816 ( -0.763 0.000 -1.731) 1.891 3.011 ( -7.729 0.000 3.132) 8.339 3.037 ( 1.711 0.000 -0.195) 1.722 3.075 ( -1.741 0.000 3.517) 3.924 3.143 ( 0.247 0.000 -2.373) 2.385 3.219 ( 0.496 0.000 -3.021) 3.061 3.279 ( -0.613 0.000 -0.201) 0.645 3.313 ( 3.065 0.000 0.895) 3.193 3.394 ( 0.911 0.000 -1.202) 1.508 3.487 ( 2.903 0.000 1.981) 3.515 3.541 ( 3.599 0.000 -3.367) 4.928 3.583 ( 2.312 0.000 -9.164) 9.452 3.663 ( -0.406 0.000 5.981) 5.995 3.748 ( -1.768 0.000 -0.706) 1.904 3.780 ( -4.677 0.000 -3.027) 5.571 3.881 ( 1.004 0.000 -0.671) 1.207 4.145 ( -1.613 0.000 -4.100) 4.406 4.194 ( 0.009 0.000 -2.252) 2.252 4.245 ( 0.492 0.000 2.638) 2.684 4.289 ( -0.231 0.000 -0.313) 0.390 4.486 ( -0.416 0.000 4.804) 4.822 4.544 ( -10.009 0.000 -2.584) 10.337 4.759 ( -3.628 0.000 -5.517) 6.603 4.810 ( -0.586 0.000 -1.325) 1.449 5.122 ( 0.623 0.000 3.433) 3.489 5.235 ( 0.485 0.000 -1.059) 1.165 5.412 ( -4.495 0.000 -3.097) 5.459 5.532 ( -4.039 0.000 3.354) 5.250 6.110 ( -0.558 0.000 1.317) 1.430 6.233 ( -9.094 0.000 3.577) 9.772 6.347 ( 0.895 0.000 -0.788) 1.193 6.380 ( -2.784 0.000 0.800) 2.897 6.472 ( -0.277 0.000 1.450) 1.476 6.568 ( -5.555 0.000 -0.455) 5.574 6.684 ( -0.056 0.000 -0.674) 0.676 6.709 ( 0.161 0.000 0.505) 0.530 6.781 ( -0.986 0.000 0.399) 1.064 6.812 ( -2.004 0.000 -0.492) 2.064 6.859 ( 1.255 0.000 -0.817) 1.497 6.922 ( 4.892 0.000 -6.212) 7.907 7.062 ( 2.867 0.000 0.557) 2.921 7.306 ( 6.245 0.000 4.882) 7.927 7.331 ( 12.167 0.000 -12.255) 17.269 7.421 ( 1.045 0.000 -0.268) 1.079 7.590 ( -1.366 0.000 2.548) 2.891 7.635 ( 0.816 0.000 -5.449) 5.510 7.660 ( 3.196 0.000 1.128) 3.390 7.841 ( 2.063 0.000 -5.331) 5.716 8.170 ( -6.433 0.000 3.254) 7.209 8.273 ( -4.858 0.000 14.039) 14.856 8.349 ( 2.604 0.000 0.163) 2.609 8.630 ( 1.441 0.000 1.767) 2.280 8.806 ( 0.358 0.000 0.925) 0.992 8.841 ( -1.466 0.000 2.145) 2.598 8.856 ( 0.670 0.000 -1.743) 1.868 9.061 ( -0.946 0.000 -3.164) 3.302 9.728 ( -0.355 0.000 -0.143) 0.383 9.761 ( 0.825 0.000 -0.173) 0.843 9.900 ( -1.690 0.000 0.091) 1.692 9.929 ( -2.900 0.000 1.077) 3.094 10.070 ( 0.325 0.000 1.025) 1.075 10.081 ( -0.547 0.000 -0.432) 0.697 10.137 ( -0.419 0.000 0.537) 0.681 10.247 ( 0.794 0.000 -1.973) 2.127 12.628 ( 0.188 0.000 0.372) 0.417 12.656 ( 0.174 0.000 -0.379) 0.417 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -8.461 0.000 0.471) 8.474 0.906 ( 2.987 0.000 2.276) 3.755 1.030 ( 8.504 0.000 6.882) 10.940 1.115 ( 7.925 0.000 -6.605) 10.317 1.241 ( 9.923 0.000 1.444) 10.028 1.265 ( 11.380 0.000 9.570) 14.869 1.556 ( 3.530 0.000 -2.857) 4.541 1.580 ( -0.904 0.000 -8.096) 8.146 1.866 ( -2.050 0.000 -4.992) 5.397 1.990 ( 6.011 0.000 -4.185) 7.324 2.024 ( 0.891 0.000 7.972) 8.022 2.042 ( 9.885 0.000 9.385) 13.630 2.204 ( -3.925 0.000 7.358) 8.339 2.267 ( 2.644 0.000 -9.017) 9.397 2.362 ( 9.913 0.000 15.399) 18.313 2.594 ( 2.118 0.000 8.480) 8.740 2.602 ( 4.346 0.000 -2.325) 4.929 2.769 ( -2.396 0.000 -4.115) 4.762 2.858 ( 2.260 0.000 1.317) 2.616 2.899 ( -5.597 0.000 1.886) 5.906 3.058 ( -1.023 0.000 -2.067) 2.306 3.075 ( -0.994 0.000 6.170) 6.250 3.131 ( 1.777 0.000 -2.996) 3.483 3.203 ( -0.303 0.000 -2.352) 2.372 3.269 ( -0.191 0.000 -1.442) 1.455 3.355 ( 1.805 0.000 -1.081) 2.104 3.398 ( 0.344 0.000 0.811) 0.881 3.504 ( -3.751 0.000 4.759) 6.060 3.572 ( 1.947 0.000 -6.607) 6.888 3.622 ( 4.845 0.000 -3.309) 5.867 3.671 ( -2.440 0.000 1.877) 3.078 3.694 ( -1.613 0.000 -3.020) 3.424 3.730 ( 1.258 0.000 2.216) 2.548 3.935 ( 3.825 0.000 1.334) 4.051 4.080 ( -3.566 0.000 -2.440) 4.321 4.141 ( -3.451 0.000 -3.550) 4.951 4.203 ( -11.481 0.000 -0.721) 11.504 4.250 ( -2.090 0.000 2.912) 3.584 4.365 ( -3.133 0.000 -3.551) 4.736 4.511 ( 0.640 0.000 2.959) 3.028 4.641 ( -5.149 0.000 -6.005) 7.910 4.766 ( -3.140 0.000 -1.587) 3.519 5.143 ( -0.255 0.000 2.155) 2.170 5.225 ( -0.809 0.000 -2.014) 2.171 5.326 ( -2.037 0.000 -3.659) 4.188 5.460 ( -4.634 0.000 4.139) 6.213 6.100 ( -1.117 0.000 0.448) 1.203 6.131 ( -3.860 0.000 2.034) 4.363 6.337 ( -2.280 0.000 1.571) 2.769 6.377 ( 2.245 0.000 -1.216) 2.554 6.461 ( -5.065 0.000 1.881) 5.403 6.476 ( -0.003 0.000 0.649) 0.649 6.675 ( -0.754 0.000 -0.950) 1.213 6.716 ( 0.748 0.000 -0.879) 1.154 6.765 ( -1.730 0.000 0.967) 1.981 6.772 ( -0.750 0.000 -0.558) 0.935 6.877 ( 0.834 0.000 0.243) 0.869 6.917 ( -1.751 0.000 -3.008) 3.481 7.145 ( 4.980 0.000 -0.177) 4.984 7.398 ( 3.868 0.000 -9.815) 10.549 7.419 ( 3.119 0.000 3.953) 5.035 7.484 ( 4.649 0.000 -5.357) 7.093 7.561 ( -2.229 0.000 0.693) 2.334 7.618 ( -0.227 0.000 -1.655) 1.670 7.727 ( 2.329 0.000 2.612) 3.500 7.885 ( 5.061 0.000 -7.017) 8.652 8.079 ( -4.799 0.000 4.117) 6.323 8.309 ( 0.259 0.000 11.701) 11.704 8.386 ( 1.300 0.000 -1.477) 1.968 8.675 ( 1.612 0.000 3.405) 3.767 8.814 ( -0.371 0.000 2.128) 2.160 8.818 ( -1.670 0.000 1.249) 2.085 8.866 ( 1.231 0.000 -1.679) 2.082 9.022 ( -1.345 0.000 -3.057) 3.340 9.726 ( 0.129 0.000 0.260) 0.291 9.774 ( 0.633 0.000 -0.302) 0.701 9.862 ( -1.882 0.000 -0.509) 1.949 9.891 ( -1.742 0.000 0.916) 1.968 10.073 ( -0.036 0.000 -0.564) 0.565 10.078 ( -0.049 0.000 0.921) 0.922 10.132 ( -0.481 0.000 0.775) 0.913 10.235 ( -0.675 0.000 -1.349) 1.509 12.634 ( 0.214 0.000 0.343) 0.404 12.658 ( 0.239 0.000 -0.343) 0.418 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -3.803 0.000 0.498) 3.835 0.912 ( -0.981 0.000 -4.110) 4.226 1.132 ( 0.465 0.000 1.999) 2.052 1.154 ( 1.381 0.000 -2.861) 3.177 1.378 ( 3.839 0.000 -3.738) 5.358 1.452 ( -3.530 0.000 -2.039) 4.077 1.649 ( 5.831 0.000 -2.935) 6.528 1.650 ( 14.350 0.000 5.155) 15.248 1.827 ( -0.276 0.000 -1.517) 1.542 1.878 ( -10.777 0.000 3.029) 11.195 2.001 ( -1.911 0.000 4.771) 5.140 2.190 ( -1.482 0.000 6.635) 6.799 2.217 ( 0.185 0.000 -7.146) 7.148 2.262 ( 4.981 0.000 0.197) 4.985 2.602 ( 2.059 0.000 7.224) 7.511 2.667 ( -6.373 0.000 0.436) 6.387 2.743 ( 7.517 0.000 -1.649) 7.696 2.833 ( 0.966 0.000 5.584) 5.666 2.860 ( 14.965 0.000 6.931) 16.492 2.889 ( 0.204 0.000 1.136) 1.154 2.984 ( -1.812 0.000 -3.549) 3.985 3.083 ( -1.714 0.000 5.726) 5.977 3.184 ( 2.666 0.000 -2.578) 3.708 3.196 ( -0.842 0.000 0.558) 1.010 3.247 ( -0.936 0.000 0.085) 0.939 3.322 ( -14.261 0.000 4.543) 14.967 3.373 ( 1.389 0.000 -3.480) 3.747 3.433 ( 0.123 0.000 4.455) 4.457 3.568 ( 0.557 0.000 -3.659) 3.701 3.636 ( -0.138 0.000 -0.577) 0.593 3.673 ( 3.656 0.000 -3.477) 5.046 3.741 ( 4.463 0.000 -0.101) 4.464 3.820 ( 6.487 0.000 1.929) 6.767 3.949 ( -11.918 0.000 -0.957) 11.956 3.997 ( 1.388 0.000 -0.141) 1.395 4.038 ( 0.147 0.000 1.023) 1.033 4.067 ( -0.009 0.000 -4.264) 4.264 4.190 ( -5.565 0.000 2.488) 6.096 4.345 ( 0.746 0.000 -1.377) 1.566 4.524 ( -3.858 0.000 -7.440) 8.381 4.528 ( -0.039 0.000 0.675) 0.676 4.710 ( -0.540 0.000 -2.343) 2.405 5.124 ( -1.818 0.000 -0.918) 2.036 5.191 ( -1.286 0.000 -3.047) 3.307 5.318 ( 2.095 0.000 -0.516) 2.157 5.403 ( -3.133 0.000 1.430) 3.444 6.077 ( -0.965 0.000 -0.420) 1.053 6.086 ( -1.904 0.000 0.311) 1.930 6.315 ( -0.932 0.000 2.114) 2.310 6.412 ( -1.834 0.000 4.109) 4.500 6.419 ( 2.540 0.000 -0.085) 2.541 6.472 ( -0.768 0.000 0.386) 0.860 6.656 ( -0.481 0.000 -0.629) 0.792 6.730 ( -1.200 0.000 -0.797) 1.441 6.732 ( 1.811 0.000 -2.745) 3.289 6.779 ( 0.447 0.000 1.393) 1.463 6.849 ( -3.429 0.000 -2.014) 3.976 6.895 ( 0.521 0.000 0.821) 0.973 7.221 ( 3.002 0.000 -1.312) 3.276 7.419 ( 3.512 0.000 -11.656) 12.174 7.448 ( -1.887 0.000 2.483) 3.118 7.504 ( 0.295 0.000 -3.473) 3.485 7.533 ( -0.569 0.000 0.924) 1.085 7.647 ( 3.069 0.000 3.392) 4.574 7.761 ( -0.051 0.000 1.906) 1.907 7.934 ( 3.935 0.000 -10.530) 11.242 8.026 ( -3.327 0.000 6.130) 6.975 8.374 ( -0.963 0.000 -4.554) 4.655 8.386 ( 1.384 0.000 13.068) 13.141 8.711 ( 0.107 0.000 3.558) 3.560 8.790 ( -1.730 0.000 1.743) 2.456 8.820 ( -0.131 0.000 1.479) 1.485 8.884 ( 1.260 0.000 -1.240) 1.768 8.993 ( -0.007 0.000 -2.477) 2.477 9.730 ( 0.046 0.000 0.326) 0.330 9.779 ( 0.076 0.000 -0.641) 0.646 9.839 ( -0.212 0.000 -0.006) 0.212 9.869 ( -0.974 0.000 0.375) 1.043 10.076 ( 0.568 0.000 -0.362) 0.674 10.076 ( -0.466 0.000 0.471) 0.662 10.127 ( -0.544 0.000 0.974) 1.116 10.218 ( -0.336 0.000 -1.228) 1.273 12.638 ( 0.025 0.000 0.291) 0.293 12.660 ( 0.180 0.000 -0.286) 0.338 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 5.243 0.000 1.396) 5.426 0.828 ( -5.298 0.000 -8.149) 9.720 1.074 ( -6.826 0.000 -0.209) 6.829 1.140 ( -2.649 0.000 -0.065) 2.649 1.331 ( -5.529 0.000 -2.393) 6.025 1.362 ( -5.153 0.000 -1.898) 5.492 1.616 ( -4.325 0.000 -4.448) 6.204 1.652 ( -9.629 0.000 -7.852) 12.425 1.845 ( 0.404 0.000 2.284) 2.320 1.955 ( 9.715 0.000 13.296) 16.467 2.091 ( 7.203 0.000 7.609) 10.478 2.146 ( -4.884 0.000 -8.210) 9.553 2.206 ( 0.807 0.000 4.040) 4.119 2.305 ( -3.052 0.000 3.982) 5.017 2.499 ( -8.351 0.000 1.358) 8.461 2.627 ( -7.529 0.000 6.687) 10.070 2.755 ( -3.232 0.000 -3.992) 5.136 2.811 ( -5.843 0.000 -0.512) 5.866 2.839 ( -5.424 0.000 -0.260) 5.430 2.875 ( -4.065 0.000 2.332) 4.687 3.052 ( -3.674 0.000 4.320) 5.671 3.060 ( 3.833 0.000 -1.204) 4.018 3.155 ( -0.936 0.000 -0.937) 1.324 3.243 ( 7.554 0.000 -0.445) 7.567 3.276 ( 3.045 0.000 -1.317) 3.318 3.295 ( 2.386 0.000 7.105) 7.495 3.396 ( 2.316 0.000 -1.060) 2.547 3.461 ( 0.386 0.000 3.151) 3.174 3.564 ( 0.275 0.000 -0.965) 1.003 3.670 ( 1.969 0.000 2.754) 3.385 3.703 ( -2.931 0.000 -1.437) 3.265 3.756 ( -5.541 0.000 -0.364) 5.553 3.763 ( 1.437 0.000 -0.474) 1.513 3.986 ( 8.999 0.000 0.628) 9.021 4.032 ( 2.778 0.000 -5.202) 5.897 4.071 ( -5.042 0.000 3.086) 5.911 4.128 ( 7.425 0.000 5.599) 9.299 4.144 ( 6.537 0.000 -2.397) 6.963 4.362 ( 1.125 0.000 -0.582) 1.266 4.442 ( 1.270 0.000 -10.488) 10.565 4.522 ( 0.077 0.000 -0.567) 0.573 4.737 ( 3.799 0.000 -1.786) 4.198 5.082 ( -1.609 0.000 -1.749) 2.377 5.154 ( -0.674 0.000 -4.073) 4.128 5.350 ( -2.864 0.000 -0.781) 2.969 5.381 ( 3.841 0.000 1.849) 4.262 6.059 ( -0.910 0.000 -0.562) 1.070 6.070 ( 0.455 0.000 -0.191) 0.493 6.322 ( 0.411 0.000 2.581) 2.613 6.422 ( 0.694 0.000 3.624) 3.690 6.444 ( -0.755 0.000 -0.693) 1.025 6.476 ( 1.516 0.000 2.282) 2.739 6.655 ( 0.716 0.000 -0.901) 1.151 6.720 ( 0.469 0.000 -0.495) 0.682 6.738 ( -0.800 0.000 -2.228) 2.368 6.796 ( 0.579 0.000 1.935) 2.020 6.800 ( 0.808 0.000 -3.828) 3.912 6.907 ( 0.394 0.000 0.883) 0.967 7.224 ( -2.153 0.000 -1.462) 2.602 7.398 ( 0.598 0.000 -12.144) 12.159 7.403 ( -3.073 0.000 0.611) 3.133 7.496 ( 0.213 0.000 -1.169) 1.188 7.535 ( -0.334 0.000 1.751) 1.783 7.742 ( 3.915 0.000 4.555) 6.006 7.746 ( -2.006 0.000 0.544) 2.079 7.924 ( 1.142 0.000 -8.086) 8.166 8.015 ( -1.336 0.000 4.278) 4.482 8.320 ( -1.672 0.000 -5.529) 5.777 8.488 ( 2.108 0.000 15.323) 15.467 8.708 ( -1.754 0.000 1.803) 2.516 8.775 ( -0.448 0.000 1.155) 1.239 8.825 ( -0.087 0.000 1.676) 1.678 8.891 ( 0.016 0.000 -0.930) 0.930 9.004 ( 2.256 0.000 -2.116) 3.094 9.732 ( 0.084 0.000 0.506) 0.513 9.772 ( -0.357 0.000 -1.048) 1.107 9.853 ( 1.210 0.000 0.620) 1.359 9.854 ( -0.792 0.000 -0.218) 0.822 10.067 ( -0.624 0.000 0.019) 0.624 10.088 ( 0.711 0.000 0.084) 0.716 10.124 ( -0.186 0.000 1.025) 1.041 10.214 ( 0.535 0.000 -1.400) 1.499 12.638 ( -0.245 0.000 0.258) 0.355 12.661 ( 0.043 0.000 -0.251) 0.254 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -12.095 0.000 -4.789) 13.009 0.795 ( 8.866 0.000 1.206) 8.948 0.887 ( -13.481 0.000 2.036) 13.633 1.063 ( -4.329 0.000 -0.628) 4.374 1.145 ( -15.024 0.000 0.003) 15.024 1.260 ( -2.335 0.000 -0.579) 2.405 1.420 ( -12.848 0.000 -4.326) 13.557 1.572 ( 1.151 0.000 -2.965) 3.181 1.831 ( -3.307 0.000 1.851) 3.789 1.849 ( -22.804 0.000 1.857) 22.880 2.143 ( -0.215 0.000 9.884) 9.886 2.169 ( -3.597 0.000 -3.312) 4.890 2.220 ( 0.703 0.000 5.680) 5.723 2.287 ( 5.670 0.000 3.509) 6.668 2.428 ( -4.425 0.000 -0.105) 4.426 2.481 ( -3.736 0.000 8.156) 8.971 2.666 ( -2.766 0.000 -0.546) 2.820 2.708 ( -3.569 0.000 -4.880) 6.046 2.767 ( -2.293 0.000 0.213) 2.303 2.928 ( 2.492 0.000 3.445) 4.252 3.034 ( -1.079 0.000 -2.556) 2.774 3.034 ( 1.201 0.000 3.105) 3.329 3.173 ( 0.197 0.000 -0.340) 0.393 3.304 ( -1.718 0.000 -2.213) 2.802 3.326 ( 1.344 0.000 -1.094) 1.733 3.355 ( 4.077 0.000 0.204) 4.082 3.401 ( -2.821 0.000 3.026) 4.137 3.479 ( 0.091 0.000 3.379) 3.380 3.583 ( 2.401 0.000 -2.652) 3.577 3.615 ( -3.758 0.000 0.136) 3.760 3.620 ( -3.822 0.000 -3.265) 5.027 3.768 ( -0.071 0.000 -1.117) 1.120 3.809 ( 3.064 0.000 4.179) 5.182 3.971 ( -2.113 0.000 1.457) 2.566 4.087 ( 3.144 0.000 -6.842) 7.530 4.135 ( 6.415 0.000 -0.659) 6.449 4.235 ( 1.836 0.000 1.252) 2.222 4.328 ( 7.886 0.000 6.907) 10.483 4.360 ( -0.006 0.000 -0.476) 0.476 4.514 ( 10.597 0.000 -9.516) 14.243 4.566 ( 5.217 0.000 -0.736) 5.269 4.806 ( 4.157 0.000 -2.685) 4.949 5.056 ( -0.546 0.000 -0.090) 0.554 5.128 ( -0.012 0.000 -3.733) 3.733 5.289 ( -2.817 0.000 -1.524) 3.203 5.465 ( 3.456 0.000 2.853) 4.481 6.048 ( 0.109 0.000 -0.134) 0.172 6.087 ( 0.995 0.000 0.636) 1.181 6.355 ( 1.764 0.000 2.515) 3.072 6.424 ( -0.626 0.000 -0.545) 0.830 6.471 ( 3.417 0.000 0.726) 3.493 6.509 ( 0.159 0.000 3.202) 3.206 6.671 ( 1.342 0.000 -0.745) 1.535 6.707 ( -0.941 0.000 -0.482) 1.057 6.736 ( 1.217 0.000 -0.343) 1.264 6.817 ( 2.290 0.000 -4.679) 5.209 6.824 ( 1.258 0.000 2.220) 2.552 6.921 ( 1.147 0.000 -0.959) 1.495 7.148 ( -4.533 0.000 0.007) 4.533 7.329 ( -5.335 0.000 -0.332) 5.345 7.334 ( -1.062 0.000 -12.422) 12.467 7.490 ( -0.784 0.000 0.246) 0.821 7.536 ( -0.508 0.000 1.719) 1.793 7.702 ( -2.385 0.000 -0.377) 2.415 7.780 ( -1.107 0.000 -1.577) 1.927 7.953 ( 4.075 0.000 -4.248) 5.887 8.004 ( -1.428 0.000 6.793) 6.942 8.274 ( -0.301 0.000 -4.375) 4.385 8.618 ( 3.739 0.000 15.492) 15.936 8.671 ( -2.485 0.000 0.457) 2.527 8.787 ( 0.966 0.000 2.122) 2.332 8.834 ( 0.217 0.000 1.633) 1.647 8.880 ( -0.503 0.000 -1.072) 1.185 9.043 ( 2.665 0.000 -2.258) 3.493 9.739 ( 0.240 0.000 0.737) 0.775 9.757 ( -0.472 0.000 -1.161) 1.253 9.835 ( -1.005 0.000 -0.660) 1.202 9.882 ( 1.413 0.000 0.597) 1.534 10.056 ( -0.415 0.000 -0.085) 0.423 10.099 ( 0.231 0.000 0.567) 0.612 10.131 ( 0.318 0.000 0.911) 0.964 10.220 ( 0.814 0.000 -1.978) 2.139 12.633 ( -0.396 0.000 0.265) 0.477 12.660 ( -0.057 0.000 -0.259) 0.265 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -5.403 0.000 19.693) 20.421 0.603 ( -18.457 0.000 12.084) 22.060 0.895 ( -8.107 0.000 -0.266) 8.111 0.918 ( -20.352 0.000 3.723) 20.690 0.967 ( 6.979 0.000 -0.683) 7.013 1.062 ( -11.395 0.000 9.079) 14.570 1.267 ( -1.665 0.000 1.660) 2.351 1.588 ( -1.331 0.000 -4.185) 4.391 1.601 ( 2.865 0.000 -1.659) 3.310 1.742 ( -5.519 0.000 -2.639) 6.118 1.978 ( -7.300 0.000 -4.262) 8.453 2.168 ( -7.676 0.000 5.820) 9.633 2.246 ( 0.662 0.000 6.705) 6.737 2.374 ( -1.702 0.000 3.161) 3.590 2.415 ( 4.939 0.000 2.012) 5.334 2.469 ( -2.689 0.000 10.096) 10.448 2.585 ( -2.273 0.000 -6.559) 6.942 2.728 ( 4.343 0.000 1.124) 4.486 2.763 ( 1.756 0.000 1.030) 2.036 2.966 ( 0.381 0.000 3.724) 3.744 3.033 ( 1.807 0.000 -0.148) 1.813 3.122 ( 4.054 0.000 3.867) 5.603 3.138 ( -3.033 0.000 -2.920) 4.211 3.233 ( -3.145 0.000 -3.704) 4.860 3.298 ( -2.440 0.000 0.138) 2.443 3.340 ( -4.901 0.000 1.036) 5.009 3.399 ( 0.962 0.000 -3.254) 3.394 3.495 ( -1.220 0.000 2.269) 2.576 3.530 ( -1.506 0.000 -3.119) 3.464 3.579 ( -0.138 0.000 1.753) 1.758 3.608 ( 1.896 0.000 -8.171) 8.388 3.786 ( 1.425 0.000 1.556) 2.110 3.831 ( -1.844 0.000 1.733) 2.530 4.018 ( 5.147 0.000 1.975) 5.513 4.064 ( -2.137 0.000 -7.121) 7.435 4.206 ( 2.323 0.000 -3.715) 4.382 4.251 ( -0.027 0.000 0.622) 0.622 4.346 ( 0.024 0.000 1.505) 1.506 4.497 ( 4.306 0.000 4.126) 5.964 4.647 ( 2.493 0.000 -2.698) 3.673 4.669 ( 8.695 0.000 -5.338) 10.202 4.852 ( 2.427 0.000 -4.912) 5.479 5.062 ( 0.454 0.000 2.631) 2.670 5.154 ( 5.661 0.000 5.615) 7.974 5.240 ( -1.464 0.000 -0.698) 1.622 5.519 ( 0.521 0.000 2.164) 2.226 6.074 ( 2.802 0.000 2.991) 4.098 6.105 ( 0.231 0.000 1.388) 1.407 6.404 ( 1.888 0.000 1.400) 2.351 6.426 ( 1.314 0.000 0.186) 1.328 6.514 ( -0.793 0.000 2.792) 2.902 6.552 ( 4.995 0.000 -1.554) 5.231 6.695 ( 1.119 0.000 0.537) 1.241 6.701 ( -0.017 0.000 0.978) 0.978 6.757 ( 1.443 0.000 -1.384) 2.000 6.831 ( 1.360 0.000 -3.180) 3.458 6.850 ( 0.109 0.000 1.245) 1.249 6.929 ( -0.247 0.000 -5.043) 5.049 7.094 ( -1.000 0.000 2.578) 2.765 7.204 ( -7.391 0.000 0.145) 7.393 7.222 ( -4.902 0.000 -11.946) 12.912 7.467 ( -2.307 0.000 2.271) 3.237 7.538 ( 0.004 0.000 2.248) 2.248 7.662 ( -1.571 0.000 -0.644) 1.697 7.723 ( -2.583 0.000 -4.793) 5.445 7.929 ( -2.095 0.000 -4.530) 4.991 8.089 ( 3.667 0.000 7.881) 8.692 8.270 ( 1.545 0.000 -2.595) 3.020 8.629 ( -1.846 0.000 0.183) 1.855 8.744 ( 3.019 0.000 3.124) 4.344 8.834 ( 0.646 0.000 4.530) 4.576 8.852 ( 0.693 0.000 -0.125) 0.704 8.866 ( -0.335 0.000 -1.310) 1.352 9.074 ( 1.804 0.000 -2.565) 3.136 9.744 ( -0.116 0.000 0.369) 0.387 9.750 ( 0.124 0.000 -0.278) 0.305 9.830 ( 2.084 0.000 3.055) 3.698 9.907 ( 0.912 0.000 0.576) 1.079 10.052 ( -0.014 0.000 0.203) 0.203 10.101 ( -0.304 0.000 0.542) 0.621 10.140 ( 0.168 0.000 0.787) 0.804 10.211 ( -0.887 0.000 -2.807) 2.944 12.627 ( -0.312 0.000 0.305) 0.436 12.657 ( -0.052 0.000 -0.309) 0.313 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 4.009 14.168 7.210) 16.395 0.705 ( 1.834 10.296 9.280) 13.981 0.784 ( -0.567 1.490 6.707) 6.894 0.891 ( -9.373 2.395 9.336) 13.444 1.015 ( 3.163 -0.385 6.246) 7.012 1.260 ( 3.111 5.764 -0.651) 6.582 1.304 ( 3.512 21.661 12.874) 25.442 1.609 ( -4.396 1.986 -4.449) 6.562 1.725 ( 2.693 3.558 -6.028) 7.500 1.790 ( 7.589 7.930 -8.195) 13.698 1.902 ( 0.920 0.398 -0.007) 1.002 2.079 ( -2.542 2.073 3.670) 4.923 2.206 ( -2.518 -3.246 0.450) 4.133 2.318 ( -2.912 -2.701 3.175) 5.085 2.442 ( -2.492 -0.555 10.220) 10.534 2.508 ( -2.151 4.578 0.055) 5.058 2.617 ( 5.336 -2.100 3.353) 6.643 2.749 ( -0.924 -0.638 0.025) 1.123 2.810 ( -0.349 -0.016 1.728) 1.763 2.982 ( 1.359 -2.164 -0.362) 2.580 3.011 ( 0.907 -2.717 -0.146) 2.868 3.077 ( 0.718 -3.252 1.253) 3.558 3.117 ( -1.180 -2.528 1.331) 3.091 3.224 ( -1.075 -2.626 -0.458) 2.874 3.245 ( 0.979 1.030 0.063) 1.422 3.309 ( -0.632 2.500 -0.369) 2.605 3.390 ( -0.648 1.690 4.722) 5.057 3.458 ( 0.424 1.452 -3.384) 3.706 3.520 ( -1.633 -1.260 -4.458) 4.912 3.561 ( 1.396 0.277 -1.202) 1.863 3.617 ( 2.883 0.082 -1.406) 3.209 3.772 ( -0.402 -2.096 0.938) 2.331 3.835 ( -2.128 1.481 1.355) 2.925 3.937 ( -4.160 -2.727 -5.305) 7.272 4.111 ( 1.744 -2.121 1.104) 2.959 4.211 ( 1.573 0.689 -2.767) 3.256 4.280 ( 1.227 2.115 -2.297) 3.355 4.300 ( -1.498 -1.246 -0.475) 2.006 4.412 ( -1.348 -4.559 3.851) 6.118 4.590 ( -1.420 -5.371 0.383) 5.569 4.756 ( 0.739 -5.497 -2.463) 6.069 4.855 ( 1.311 1.129 -5.283) 5.559 5.115 ( 0.418 2.027 1.260) 2.423 5.222 ( 0.468 -0.686 -0.011) 0.831 5.345 ( 6.211 -4.415 5.140) 9.192 5.441 ( -1.949 -5.116 -0.110) 5.476 6.122 ( -0.571 1.701 2.630) 3.183 6.264 ( 4.749 0.692 -0.107) 4.801 6.362 ( -3.078 -4.084 0.004) 5.114 6.374 ( -1.118 -3.028 -0.485) 3.264 6.451 ( 0.653 -2.386 1.947) 3.149 6.578 ( 0.482 -4.352 -1.019) 4.496 6.655 ( -0.134 -2.783 0.738) 2.882 6.696 ( 0.070 -3.403 -0.003) 3.404 6.759 ( 1.330 -0.701 -1.710) 2.277 6.792 ( -3.242 2.092 -2.084) 4.385 6.863 ( 1.306 2.906 1.151) 3.387 7.048 ( -2.984 -1.670 0.101) 3.421 7.132 ( 4.859 -1.786 2.401) 5.707 7.192 ( 5.342 2.532 0.248) 5.918 7.246 ( 0.968 13.854 -16.049) 21.224 7.445 ( -1.626 1.270 1.866) 2.782 7.621 ( 0.456 4.829 3.395) 5.921 7.662 ( -0.725 2.189 -1.737) 2.887 7.685 ( 0.217 2.471 -5.267) 5.822 7.866 ( -1.258 -0.763 -3.059) 3.395 8.182 ( 1.417 0.709 4.755) 5.012 8.297 ( 2.388 -0.593 -0.379) 2.490 8.388 ( -11.090 -5.498 7.762) 14.610 8.695 ( -2.908 -1.572 -3.694) 4.957 8.785 ( 0.872 1.280 0.483) 1.622 8.845 ( -0.621 0.349 2.516) 2.615 8.953 ( -2.905 5.441 -6.003) 8.607 9.083 ( 0.228 0.052 -2.789) 2.799 9.746 ( -0.528 0.775 -0.205) 0.959 9.754 ( 0.394 0.452 -0.256) 0.651 9.890 ( 2.322 -4.199 3.203) 5.769 9.905 ( -0.344 -1.239 0.366) 1.337 10.049 ( -0.073 -0.116 0.515) 0.533 10.109 ( -0.626 -0.410 -1.030) 1.273 10.154 ( 0.229 1.592 0.932) 1.859 10.208 ( 1.600 0.609 -0.219) 1.726 12.625 ( -0.032 0.019 0.314) 0.316 12.652 ( 0.038 -0.289 -0.329) 0.439 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 7.331 8.686 10.586) 15.532 0.795 ( 1.819 -4.300 -0.159) 4.672 0.879 ( 6.621 7.505 10.021) 14.163 0.934 ( 9.417 -0.861 -1.992) 9.664 1.052 ( -1.123 -1.716 5.733) 6.089 1.259 ( 0.429 4.255 5.315) 6.822 1.518 ( 2.558 1.285 0.950) 3.016 1.647 ( 5.846 10.213 -2.251) 11.981 1.775 ( 12.751 6.458 1.342) 14.356 1.843 ( 3.499 5.008 -1.831) 6.378 1.952 ( 1.467 0.585 0.300) 1.608 2.092 ( 3.312 6.957 -3.156) 8.326 2.191 ( 0.604 -0.387 1.609) 1.762 2.226 ( -5.480 -0.701 3.581) 6.584 2.439 ( -1.603 5.696 3.694) 6.976 2.514 ( -0.008 -1.016 6.212) 6.294 2.664 ( -2.290 1.548 1.156) 2.997 2.712 ( -0.771 -5.565 4.074) 6.940 2.802 ( -1.321 -1.490 0.077) 1.993 2.960 ( -2.816 -3.247 -1.575) 4.577 3.025 ( 0.094 -1.537 -0.660) 1.675 3.099 ( 2.011 2.190 4.413) 5.321 3.134 ( -0.741 -3.339 0.277) 3.432 3.221 ( 0.803 -3.124 -1.834) 3.711 3.253 ( 0.999 -0.039 -2.938) 3.104 3.292 ( -0.361 1.511 -0.611) 1.670 3.429 ( 0.495 -4.177 3.902) 5.737 3.443 ( 0.015 1.403 -2.720) 3.061 3.509 ( 1.909 -2.334 -3.390) 4.537 3.589 ( 3.341 2.553 -3.417) 5.418 3.676 ( 1.492 0.476 2.990) 3.375 3.751 ( -1.416 -0.476 -1.192) 1.911 3.782 ( -2.377 1.369 -1.755) 3.256 3.877 ( 0.124 -0.439 -0.382) 0.595 4.080 ( -3.322 -4.499 -1.855) 5.892 4.220 ( -1.065 -1.700 1.569) 2.547 4.279 ( -0.376 4.206 -3.674) 5.597 4.299 ( 0.573 1.118 -2.260) 2.586 4.421 ( 0.417 -6.097 5.780) 8.412 4.494 ( -7.819 -3.167 -2.042) 8.680 4.740 ( -1.250 -6.759 -3.329) 7.637 4.816 ( -2.555 3.006 -3.970) 5.596 5.137 ( 0.781 1.535 2.458) 3.001 5.228 ( 0.232 -0.614 -0.874) 1.093 5.374 ( -2.564 -2.846 -1.087) 3.981 5.443 ( -0.028 -5.907 3.378) 6.805 6.114 ( -1.432 1.077 2.210) 2.845 6.236 ( -5.523 -0.450 2.001) 5.892 6.335 ( -2.643 -3.655 0.112) 4.512 6.347 ( 0.699 -0.618 -1.636) 1.883 6.468 ( -0.027 -0.283 1.227) 1.259 6.571 ( -0.392 -1.219 -1.442) 1.928 6.640 ( -1.361 -3.840 1.173) 4.240 6.688 ( -0.724 -3.258 0.275) 3.348 6.759 ( 0.962 1.627 -1.910) 2.688 6.781 ( 0.156 -0.237 -0.283) 0.401 6.885 ( 1.210 1.110 -0.250) 1.661 7.050 ( 1.913 -0.285 1.112) 2.231 7.095 ( -3.740 7.941 -3.771) 9.554 7.295 ( 4.527 0.024 3.817) 5.921 7.345 ( 10.830 -0.472 -11.225) 15.605 7.426 ( -0.270 1.212 -1.517) 1.960 7.604 ( -2.263 1.476 -1.145) 2.935 7.658 ( 0.578 1.944 -0.939) 2.234 7.693 ( 1.519 2.642 -0.806) 3.153 7.856 ( 1.837 0.637 -2.509) 3.174 8.170 ( -6.095 0.385 2.335) 6.538 8.249 ( -3.619 -1.857 10.711) 11.458 8.354 ( 2.383 0.439 0.016) 2.423 8.647 ( -0.597 -0.560 -0.664) 1.054 8.805 ( 0.777 0.886 0.885) 1.474 8.842 ( -1.093 0.499 2.614) 2.876 8.894 ( -1.092 3.192 -2.379) 4.128 9.061 ( -1.008 -0.041 -2.995) 3.161 9.735 ( -0.379 0.717 -0.207) 0.837 9.766 ( 0.861 0.569 -0.134) 1.041 9.882 ( -1.840 -1.840 0.192) 2.609 9.905 ( -1.127 -1.851 1.350) 2.553 10.051 ( -0.063 -0.468 0.939) 1.052 10.097 ( -0.174 0.095 -0.937) 0.957 10.157 ( -0.265 1.783 0.751) 1.953 10.237 ( 0.870 -0.610 -0.935) 1.415 12.629 ( 0.223 0.032 0.321) 0.392 12.654 ( 0.297 -0.147 -0.329) 0.467 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -5.027 1.510 0.366) 5.261 0.893 ( 4.431 -0.766 2.626) 5.208 0.992 ( 3.752 -4.302 2.854) 6.382 1.108 ( 3.898 -1.213 -3.486) 5.368 1.160 ( 13.560 0.896 3.687) 14.080 1.375 ( 8.968 5.288 6.636) 12.346 1.587 ( 4.419 2.921 -0.078) 5.297 1.653 ( 2.381 4.523 -4.517) 6.821 1.855 ( -2.464 -1.169 -4.610) 5.356 1.920 ( 3.721 0.294 -1.393) 3.985 2.040 ( -4.438 0.766 2.486) 5.144 2.102 ( -0.363 -3.612 3.132) 4.794 2.196 ( 4.267 4.309 2.412) 6.526 2.319 ( 2.825 5.132 -3.704) 6.930 2.473 ( 9.332 9.690 15.148) 20.260 2.582 ( 4.186 -0.076 3.455) 5.428 2.632 ( -1.646 0.626 5.795) 6.057 2.716 ( -1.867 -6.720 1.137) 7.067 2.779 ( 0.549 -1.827 0.000) 1.908 2.899 ( -2.891 -2.705 1.238) 4.148 3.043 ( 3.056 0.057 -1.781) 3.537 3.071 ( -4.319 -2.332 -3.606) 6.090 3.159 ( 1.436 3.260 1.969) 4.071 3.220 ( -1.072 1.055 -0.391) 1.553 3.226 ( -0.153 -3.552 -2.358) 4.266 3.335 ( 3.494 -1.330 -0.350) 3.754 3.421 ( -0.186 -1.948 1.470) 2.448 3.443 ( -0.450 -2.988 -0.827) 3.133 3.528 ( 0.310 -1.926 -0.850) 2.128 3.642 ( 3.477 1.565 -1.269) 4.019 3.683 ( -0.219 0.755 -1.919) 2.074 3.728 ( -3.239 3.345 -0.956) 4.753 3.756 ( 1.774 0.371 2.170) 2.827 3.918 ( 3.144 -0.580 -0.385) 3.220 4.014 ( -2.155 -3.976 -1.020) 4.637 4.172 ( -5.654 -1.112 -1.304) 5.908 4.204 ( -7.140 1.994 -0.976) 7.477 4.250 ( -3.545 0.301 -0.875) 3.664 4.360 ( -2.462 -0.417 -2.551) 3.570 4.468 ( 0.899 -3.509 4.051) 5.434 4.667 ( -3.649 -1.456 -6.219) 7.356 4.749 ( -2.737 0.993 -1.488) 3.270 5.160 ( 0.362 1.784 1.553) 2.393 5.215 ( -0.848 -0.547 -2.015) 2.254 5.331 ( -0.758 0.185 -2.118) 2.257 5.429 ( -2.449 -2.805 2.700) 4.600 6.093 ( -1.526 0.282 1.215) 1.971 6.152 ( -3.976 0.905 0.595) 4.121 6.290 ( -2.071 -3.307 1.055) 4.041 6.344 ( -0.317 -2.668 0.292) 2.703 6.467 ( -0.059 1.245 0.042) 1.247 6.558 ( -0.460 4.710 0.004) 4.732 6.626 ( -0.660 -3.523 0.476) 3.616 6.676 ( -0.796 -3.699 0.592) 3.830 6.776 ( 0.264 1.120 -0.596) 1.296 6.786 ( 2.076 1.199 -0.929) 2.571 6.896 ( -0.243 1.427 -0.173) 1.457 6.987 ( -4.198 5.754 -2.946) 7.708 7.135 ( 4.517 -0.956 0.094) 4.618 7.367 ( 3.028 -1.250 -2.804) 4.313 7.426 ( 0.915 -1.090 -1.484) 2.056 7.465 ( 5.779 -1.636 -5.016) 7.825 7.556 ( -1.931 -0.070 -1.094) 2.220 7.651 ( -0.382 2.743 -0.173) 2.775 7.726 ( 1.455 -0.337 1.310) 1.987 7.897 ( 3.565 0.707 -3.461) 5.019 8.070 ( -5.340 -0.377 3.196) 6.234 8.270 ( -0.409 -3.485 9.621) 10.241 8.386 ( 1.196 -0.196 -1.511) 1.937 8.652 ( 0.354 -2.958 1.921) 3.544 8.817 ( -0.590 0.428 1.059) 1.286 8.831 ( -0.944 1.662 2.927) 3.496 8.881 ( 0.572 1.390 -1.820) 2.360 9.022 ( -1.331 -0.019 -2.915) 3.204 9.732 ( 0.091 0.618 0.180) 0.650 9.780 ( 0.637 0.620 -0.247) 0.923 9.846 ( -1.649 -1.442 -0.378) 2.223 9.886 ( -1.261 -0.558 0.776) 1.583 10.053 ( -0.191 -0.585 0.760) 0.978 10.094 ( 0.239 0.206 -0.708) 0.775 10.154 ( -0.437 1.998 0.816) 2.202 10.234 ( -0.446 -0.125 -0.946) 1.053 12.636 ( 0.333 0.151 0.287) 0.464 12.659 ( 0.314 0.076 -0.286) 0.431 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -2.714 5.675 0.685) 6.327 0.933 ( 0.185 1.772 -3.316) 3.764 1.046 ( 0.963 -4.934 0.758) 5.084 1.142 ( 1.320 -3.079 -0.255) 3.360 1.358 ( 5.306 0.190 -4.154) 6.741 1.529 ( 0.151 5.102 -3.616) 6.256 1.680 ( 8.050 4.255 3.752) 9.848 1.744 ( 4.327 4.224 0.609) 6.077 1.801 ( 0.405 -1.156 -0.770) 1.447 1.886 ( -6.922 0.810 4.249) 8.163 1.959 ( -2.634 -1.460 2.840) 4.140 2.108 ( -0.821 -4.332 3.080) 5.379 2.238 ( 2.081 -1.885 -2.307) 3.634 2.305 ( -0.456 4.498 -1.559) 4.783 2.622 ( -4.861 -2.223 1.196) 5.477 2.629 ( 0.445 0.778 7.804) 7.855 2.646 ( -0.385 -7.101 0.668) 7.143 2.778 ( 3.963 -8.003 0.009) 8.930 2.849 ( 4.567 -3.530 2.811) 6.421 2.928 ( 7.779 5.484 7.325) 12.010 2.962 ( -5.116 -2.172 -3.250) 6.438 3.113 ( 2.663 2.272 -0.094) 3.502 3.138 ( -1.596 -1.760 -1.827) 2.997 3.202 ( -2.452 -0.740 0.180) 2.568 3.263 ( 3.970 2.231 3.238) 5.588 3.317 ( -5.684 0.586 0.152) 5.716 3.448 ( 1.690 -1.349 0.856) 2.325 3.461 ( 1.105 3.803 3.006) 4.972 3.490 ( -2.134 -2.989 -1.845) 4.110 3.661 ( 0.121 -2.123 -2.854) 3.559 3.673 ( -1.189 4.363 -0.785) 4.590 3.713 ( 3.831 -1.591 0.118) 4.150 3.828 ( 2.672 -2.622 3.239) 4.950 3.941 ( -4.029 2.105 -2.903) 5.393 3.978 ( 2.668 -1.325 -0.910) 3.115 4.044 ( -1.365 2.837 -0.964) 3.292 4.125 ( -0.237 2.758 -0.583) 2.829 4.183 ( -4.422 -0.265 0.814) 4.504 4.337 ( 0.120 -0.439 -1.164) 1.250 4.479 ( -1.308 -3.627 2.505) 4.598 4.565 ( -3.046 1.707 -8.170) 8.885 4.714 ( 0.215 1.294 -1.357) 1.887 5.153 ( -1.143 2.452 -1.559) 3.122 5.192 ( -0.405 0.679 -1.871) 2.031 5.330 ( 1.357 0.671 -0.695) 1.666 5.392 ( -2.299 -1.132 0.833) 2.695 6.076 ( -0.526 0.170 0.167) 0.578 6.092 ( -2.392 0.421 -0.307) 2.448 6.272 ( -0.670 -3.235 1.909) 3.815 6.347 ( -0.086 -2.623 2.885) 3.900 6.474 ( 1.107 1.135 -1.217) 1.999 6.546 ( -1.151 5.106 1.098) 5.348 6.612 ( -0.881 -2.543 -1.066) 2.894 6.672 ( 0.172 -2.638 0.966) 2.815 6.785 ( 1.158 2.481 -1.214) 2.995 6.822 ( 1.578 3.698 -0.380) 4.039 6.874 ( -1.716 1.340 -0.760) 2.306 6.910 ( -2.042 2.356 -1.505) 3.462 7.207 ( 2.797 -1.380 -1.160) 3.327 7.395 ( 2.641 -1.261 -7.095) 7.675 7.422 ( -1.463 -2.296 0.303) 2.739 7.481 ( -0.950 -1.905 -2.275) 3.116 7.566 ( 2.467 0.982 -0.140) 2.659 7.661 ( 1.305 1.830 2.403) 3.290 7.748 ( 0.074 -1.397 1.020) 1.732 7.937 ( 3.183 0.283 -8.065) 8.675 8.003 ( -4.006 -1.865 6.177) 7.595 8.315 ( -0.279 -4.959 7.736) 9.193 8.386 ( 0.389 -0.662 -0.658) 1.011 8.667 ( -0.115 -4.434 2.458) 5.072 8.797 ( -1.571 0.693 1.580) 2.333 8.836 ( -0.274 1.673 1.948) 2.582 8.890 ( 0.991 0.538 -1.291) 1.714 8.994 ( 0.028 0.094 -2.390) 2.392 9.736 ( 0.055 0.542 0.264) 0.606 9.785 ( 0.059 0.629 -0.597) 0.869 9.829 ( -0.034 -0.929 0.224) 0.956 9.869 ( -0.838 -0.155 0.276) 0.896 10.052 ( -0.285 -0.635 0.598) 0.918 10.097 ( 0.530 0.176 -0.718) 0.910 10.148 ( -0.589 2.199 0.919) 2.455 10.221 ( -0.297 0.248 -0.942) 1.019 12.642 ( 0.115 0.338 0.260) 0.442 12.662 ( 0.173 0.158 -0.254) 0.346 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 3.887 5.370 1.501) 6.797 0.877 ( -3.535 4.427 -5.912) 8.188 1.023 ( -4.439 -2.782 1.001) 5.334 1.155 ( -0.052 -1.532 0.689) 1.680 1.309 ( -8.772 0.598 -6.656) 11.028 1.418 ( -7.850 4.307 0.478) 8.967 1.580 ( -8.577 0.006 -6.612) 10.830 1.775 ( -4.644 6.622 -0.180) 8.090 1.825 ( 1.803 -0.312 1.151) 2.161 1.984 ( 8.147 2.066 9.984) 13.050 2.035 ( 6.107 -3.066 5.267) 8.627 2.101 ( 0.006 -2.819 0.245) 2.829 2.254 ( -0.305 -0.217 -0.299) 0.479 2.282 ( -2.057 -0.453 1.274) 2.462 2.509 ( -4.433 0.312 -1.256) 4.618 2.643 ( -1.669 -6.937 -0.587) 7.159 2.649 ( -5.314 1.333 6.588) 8.569 2.749 ( -9.033 -4.104 1.684) 10.064 2.817 ( -3.588 -1.421 1.336) 4.083 2.926 ( 0.907 -4.345 3.167) 5.453 3.031 ( -2.164 5.733 -4.472) 7.586 3.091 ( 0.317 -3.722 -1.781) 4.138 3.140 ( 2.117 -4.084 0.016) 4.600 3.184 ( 1.134 2.850 0.637) 3.133 3.234 ( -0.888 -0.187 1.770) 1.989 3.358 ( 2.013 1.017 4.111) 4.689 3.427 ( -1.676 -4.344 0.813) 4.727 3.498 ( 2.032 6.556 -0.789) 6.909 3.509 ( 1.037 -2.436 1.122) 2.876 3.666 ( 0.656 -4.298 -1.512) 4.604 3.668 ( -1.572 0.478 0.452) 1.704 3.744 ( 0.777 -1.411 0.226) 1.627 3.798 ( -1.773 2.485 1.273) 3.308 3.952 ( 3.601 0.484 -1.014) 3.772 4.050 ( -1.200 -2.408 1.617) 3.139 4.107 ( 5.787 2.126 0.076) 6.165 4.123 ( 3.434 3.163 -0.778) 4.733 4.181 ( 5.465 2.281 1.942) 6.232 4.343 ( 0.849 -0.603 -1.113) 1.524 4.461 ( -1.142 -4.639 1.272) 4.944 4.500 ( 2.401 4.092 -10.288) 11.329 4.743 ( 2.915 0.526 -1.094) 3.157 5.122 ( -0.963 3.224 -1.562) 3.710 5.171 ( -0.500 1.809 -3.449) 3.927 5.349 ( -2.216 -0.066 -0.774) 2.348 5.370 ( 2.524 -1.161 1.123) 2.996 6.060 ( -0.676 0.494 -0.175) 0.855 6.083 ( 1.213 0.860 -0.426) 1.547 6.281 ( 0.482 -3.557 2.462) 4.353 6.367 ( 0.484 -2.348 3.580) 4.309 6.482 ( 0.073 1.120 -2.864) 3.076 6.539 ( 0.180 2.505 2.698) 3.686 6.588 ( -0.532 -2.869 -2.194) 3.651 6.686 ( 0.235 -1.580 1.508) 2.197 6.780 ( -1.104 2.687 -1.150) 3.124 6.823 ( -0.986 3.414 -0.413) 3.577 6.869 ( 3.023 4.363 -3.349) 6.277 6.906 ( 0.975 0.103 0.755) 1.237 7.209 ( -1.981 -1.215 -1.462) 2.745 7.374 ( -3.232 -2.615 -1.193) 4.325 7.392 ( 0.721 -0.240 -6.230) 6.276 7.470 ( 0.755 -2.046 -2.096) 3.025 7.592 ( 0.259 3.824 0.544) 3.871 7.722 ( 1.994 -1.479 2.630) 3.617 7.742 ( -0.226 -0.757 1.150) 1.395 7.936 ( 1.608 1.395 -6.123) 6.482 7.984 ( -1.667 -3.017 4.872) 5.968 8.297 ( -1.877 -2.405 -2.313) 3.828 8.442 ( 2.062 -3.959 10.374) 11.293 8.667 ( -0.745 -4.381 1.160) 4.593 8.782 ( -0.575 0.660 1.011) 1.337 8.837 ( -0.502 1.333 1.852) 2.336 8.898 ( 0.513 0.652 -0.865) 1.199 9.005 ( 2.113 0.007 -2.017) 2.921 9.739 ( 0.164 0.644 0.503) 0.834 9.778 ( -0.384 0.601 -1.016) 1.241 9.841 ( 0.495 -0.753 0.722) 1.154 9.858 ( -0.106 -0.067 -0.133) 0.183 10.048 ( -0.389 -0.641 0.467) 0.884 10.106 ( 0.777 -0.022 -0.687) 1.038 10.143 ( -0.458 2.367 1.037) 2.624 10.216 ( 0.337 0.271 -1.086) 1.169 12.641 ( -0.312 0.343 0.230) 0.517 12.663 ( 0.021 0.149 -0.222) 0.268 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -7.147 10.940 -2.758) 13.356 0.811 ( 4.511 1.171 2.311) 5.202 0.880 ( -10.828 1.705 0.923) 11.001 1.031 ( -14.882 -5.870 -2.242) 16.154 1.139 ( -2.848 5.461 2.374) 6.600 1.247 ( -7.311 -0.660 1.637) 7.520 1.497 ( 0.173 5.208 -7.387) 9.040 1.685 ( -3.495 6.965 0.245) 7.797 1.832 ( -1.873 2.001 1.184) 2.986 1.940 ( -13.456 7.995 -1.082) 15.689 2.132 ( -6.229 -3.277 -2.499) 7.469 2.157 ( 3.513 -0.035 9.607) 10.229 2.206 ( -5.311 0.009 6.695) 8.545 2.297 ( 4.646 -0.455 2.581) 5.334 2.433 ( -3.140 0.894 -0.085) 3.266 2.508 ( -3.975 2.965 4.077) 6.419 2.591 ( -2.472 -4.270 -0.611) 4.972 2.644 ( -1.967 -2.332 3.221) 4.436 2.828 ( -0.299 -0.008 0.976) 1.021 2.942 ( -1.210 -2.699 -3.915) 4.906 2.997 ( 3.318 2.388 2.115) 4.603 3.072 ( -1.277 1.344 0.038) 1.855 3.151 ( -0.429 -4.230 -0.109) 4.253 3.206 ( -0.362 -4.889 -1.564) 5.145 3.285 ( 4.152 -1.674 -0.947) 4.576 3.379 ( -1.739 -3.041 2.909) 4.553 3.410 ( -0.978 -1.957 2.637) 3.426 3.466 ( -1.952 3.120 -1.620) 4.021 3.546 ( 0.026 -0.401 -0.953) 1.034 3.615 ( -1.739 0.587 -0.628) 1.940 3.673 ( 0.436 -0.383 -0.257) 0.635 3.751 ( -0.984 -0.151 -1.626) 1.906 3.821 ( 1.842 1.326 2.165) 3.137 3.982 ( -2.986 0.159 1.848) 3.515 4.008 ( 3.737 -3.707 -1.849) 5.579 4.202 ( 3.558 2.108 -4.237) 5.921 4.219 ( 3.212 -2.026 1.530) 4.094 4.310 ( 5.347 -0.826 4.340) 6.937 4.354 ( 0.729 1.050 -0.965) 1.602 4.466 ( 3.014 -5.025 -0.187) 5.862 4.591 ( 9.829 3.868 -6.923) 12.629 4.793 ( 2.919 -1.599 -1.783) 3.775 5.111 ( 0.444 3.842 -0.037) 3.868 5.145 ( -0.207 1.754 -3.430) 3.858 5.300 ( -2.346 0.978 -1.429) 2.916 5.426 ( 2.226 -3.583 1.955) 4.649 6.064 ( 1.065 1.634 0.554) 2.028 6.114 ( 2.075 1.673 -0.182) 2.671 6.316 ( 1.937 -3.517 2.526) 4.744 6.397 ( 1.069 -3.153 2.012) 3.890 6.453 ( -1.295 0.836 -2.480) 2.920 6.567 ( 0.502 -5.846 -0.621) 5.900 6.583 ( 1.278 3.090 1.343) 3.603 6.689 ( -0.203 -2.438 1.337) 2.788 6.762 ( -0.487 1.459 -1.127) 1.907 6.807 ( 0.268 1.650 -0.927) 1.911 6.906 ( 0.568 3.150 -0.870) 3.317 6.948 ( 4.437 3.599 -2.148) 6.104 7.140 ( -4.014 -0.400 0.146) 4.037 7.288 ( -5.471 -3.403 -1.120) 6.539 7.370 ( 0.930 2.855 -9.417) 9.884 7.472 ( -0.074 -1.537 -0.223) 1.555 7.594 ( -0.327 4.800 1.312) 4.987 7.704 ( -1.679 0.137 -0.355) 1.721 7.765 ( -0.364 -1.258 -0.621) 1.449 7.959 ( 0.162 -1.472 -5.073) 5.285 7.991 ( 2.540 0.774 8.201) 8.620 8.259 ( -0.449 -1.375 -2.634) 3.005 8.520 ( -0.391 -6.486 9.957) 11.890 8.669 ( 1.165 -2.839 1.448) 3.394 8.785 ( 0.351 -0.155 0.208) 0.436 8.838 ( -0.446 0.820 2.121) 2.318 8.914 ( 1.892 2.506 0.064) 3.140 9.042 ( 2.639 -0.128 -2.035) 3.335 9.747 ( 0.288 0.758 0.717) 1.083 9.763 ( -0.499 0.563 -1.153) 1.376 9.832 ( -0.933 -0.286 -0.402) 1.055 9.876 ( 1.246 -0.608 0.583) 1.504 10.043 ( -0.266 -0.463 0.422) 0.681 10.118 ( 0.681 -0.303 -0.613) 0.965 10.142 ( -0.241 2.289 1.230) 2.610 10.219 ( 0.407 -0.000 -1.431) 1.488 12.634 ( -0.488 0.169 0.224) 0.563 12.660 ( -0.161 0.045 -0.221) 0.277 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -11.093 9.135 8.777) 16.839 0.659 ( -3.977 13.285 9.688) 16.917 0.822 ( -7.613 -3.032 1.436) 8.320 0.927 ( 4.072 -0.088 1.258) 4.263 1.082 ( -7.488 1.993 5.624) 9.575 1.171 ( -0.374 6.565 -1.053) 6.659 1.416 ( -10.018 18.197 2.873) 20.970 1.671 ( 1.461 5.831 0.630) 6.044 1.697 ( -2.805 12.394 -2.614) 12.973 1.763 ( -4.895 2.482 -3.972) 6.774 1.957 ( -6.066 -1.497 -3.626) 7.224 2.140 ( -5.351 -2.843 4.983) 7.846 2.234 ( -0.352 -0.942 5.773) 5.860 2.337 ( -1.656 -3.732 0.427) 4.105 2.445 ( -3.977 0.487 10.243) 10.999 2.479 ( 5.338 2.175 2.774) 6.397 2.577 ( -1.293 1.361 -2.383) 3.033 2.693 ( 4.541 -1.844 1.968) 5.281 2.806 ( -0.356 2.035 -0.194) 2.075 2.942 ( 1.543 -2.534 0.335) 2.986 3.038 ( -0.758 0.285 1.073) 1.345 3.069 ( -0.996 -4.102 -0.822) 4.300 3.135 ( -0.375 -1.956 2.328) 3.064 3.202 ( 2.299 -1.434 -2.523) 3.703 3.282 ( -4.206 -2.520 0.537) 4.932 3.349 ( -2.209 -0.368 -1.171) 2.526 3.394 ( -1.132 0.378 2.774) 3.020 3.457 ( 1.183 1.701 -2.624) 3.343 3.534 ( 0.217 -2.082 0.991) 2.316 3.585 ( -0.740 -0.588 -5.198) 5.283 3.628 ( -2.966 3.741 -2.448) 5.365 3.756 ( 1.114 -2.655 1.319) 3.167 3.854 ( -0.445 1.633 2.273) 2.834 3.985 ( 1.810 -4.418 -0.269) 4.782 4.053 ( 1.910 -0.581 -1.254) 2.357 4.211 ( 0.792 -0.526 -4.646) 4.743 4.259 ( 1.398 -0.465 0.147) 1.480 4.338 ( -1.629 -0.693 0.694) 1.901 4.403 ( 1.781 -3.183 1.819) 4.076 4.553 ( 4.343 -5.689 0.706) 7.192 4.720 ( 5.462 0.978 -3.639) 6.636 4.832 ( 2.850 -2.581 -4.022) 5.565 5.114 ( 0.083 2.637 -2.330) 3.519 5.173 ( 3.735 1.214 3.774) 5.446 5.260 ( -0.731 1.987 -0.317) 2.141 5.458 ( 0.040 -5.298 1.539) 5.517 6.102 ( 1.523 2.136 2.400) 3.555 6.162 ( 3.827 3.130 0.026) 4.944 6.365 ( 1.619 -2.995 1.264) 3.632 6.409 ( -1.245 -2.156 -0.744) 2.599 6.432 ( 0.762 -4.043 0.128) 4.116 6.566 ( 0.655 -3.936 -1.153) 4.153 6.627 ( 2.023 -0.790 1.591) 2.693 6.696 ( -0.130 -2.760 0.945) 2.920 6.751 ( 0.483 -0.217 -2.036) 2.104 6.824 ( 1.587 1.534 -0.356) 2.236 6.878 ( -3.145 2.187 -0.688) 3.892 7.025 ( 4.444 2.535 -2.442) 5.669 7.108 ( 1.335 2.295 1.753) 3.182 7.165 ( -6.676 -3.035 -0.546) 7.353 7.327 ( 0.167 7.557 -13.499) 15.471 7.463 ( -1.471 -0.262 2.634) 3.029 7.599 ( 0.135 5.384 2.163) 5.803 7.676 ( -0.888 1.517 -0.731) 1.904 7.731 ( -1.718 0.581 -3.415) 3.867 7.916 ( -2.018 -1.808 -3.114) 4.128 8.101 ( 3.978 1.488 6.618) 7.864 8.260 ( 1.578 -0.767 -1.416) 2.255 8.504 ( -4.953 -7.879 5.994) 11.069 8.717 ( 1.796 -3.982 0.946) 4.470 8.784 ( -0.392 0.003 -1.011) 1.084 8.842 ( -0.373 0.367 2.401) 2.457 8.977 ( 3.846 3.654 -2.099) 5.705 9.076 ( 1.936 0.059 -2.261) 2.977 9.752 ( -0.087 0.671 0.056) 0.679 9.754 ( -0.037 0.550 -0.242) 0.602 9.824 ( 0.810 -0.489 1.718) 1.961 9.898 ( 0.736 -0.918 0.544) 1.297 10.044 ( 0.129 -0.226 0.534) 0.594 10.122 ( 0.053 -0.439 -0.938) 1.037 10.145 ( -0.078 1.904 1.366) 2.345 10.210 ( -0.563 0.220 -1.415) 1.539 12.627 ( -0.335 0.042 0.265) 0.429 12.656 ( -0.183 -0.169 -0.272) 0.369 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -1.774 -2.534 -0.261) 3.104 0.759 ( 3.687 -3.625 -1.981) 5.537 0.939 ( 1.200 9.067 1.039) 9.205 0.988 ( -5.223 5.020 3.493) 8.042 1.100 ( 0.926 11.083 11.169) 15.762 1.420 ( -0.139 12.586 1.927) 12.733 1.561 ( -3.057 1.332 -1.390) 3.613 1.757 ( 2.890 7.351 -6.554) 10.264 1.807 ( -0.956 3.060 -2.633) 4.148 1.922 ( -0.187 0.890 -1.917) 2.122 2.037 ( 0.722 10.623 -0.345) 10.653 2.117 ( 1.698 3.393 0.166) 3.798 2.189 ( 3.493 3.323 9.108) 10.306 2.304 ( -1.214 9.051 3.998) 9.969 2.443 ( -2.156 0.315 12.394) 12.584 2.552 ( -1.361 0.085 0.818) 1.590 2.639 ( 1.724 3.658 -3.069) 5.076 2.763 ( -0.961 1.596 3.920) 4.340 2.787 ( -1.910 -1.636 1.950) 3.183 2.916 ( 0.431 -3.893 1.689) 4.266 2.957 ( -0.403 -4.021 1.563) 4.333 3.041 ( 2.524 -1.882 1.339) 3.421 3.089 ( -1.609 2.005 -4.158) 4.889 3.157 ( -0.760 -3.926 3.115) 5.069 3.231 ( 2.381 -2.343 0.041) 3.340 3.366 ( -0.152 1.344 0.417) 1.415 3.375 ( -2.481 -1.398 -0.063) 2.848 3.482 ( -0.852 0.180 -4.656) 4.736 3.518 ( 0.020 3.474 -1.935) 3.976 3.615 ( 3.255 -0.379 -1.694) 3.689 3.656 ( 0.336 7.074 -1.486) 7.236 3.713 ( 0.537 -3.613 1.013) 3.791 3.833 ( -0.736 -3.610 1.003) 3.819 3.904 ( -2.658 1.088 1.348) 3.173 4.076 ( -2.835 -1.445 -0.659) 3.249 4.164 ( 4.572 -6.468 2.503) 8.306 4.240 ( -2.738 -4.146 0.441) 4.988 4.244 ( 1.390 -2.998 0.183) 3.309 4.408 ( -1.005 -1.578 -5.139) 5.469 4.525 ( 1.155 2.142 -0.631) 2.514 4.575 ( -2.522 -11.779 -3.598) 12.572 4.849 ( 2.324 -2.256 -5.310) 6.220 5.154 ( 0.538 1.903 0.243) 1.993 5.219 ( 0.425 0.963 0.711) 1.270 5.309 ( 1.953 -1.402 1.442) 2.803 5.345 ( -1.049 -4.081 0.432) 4.236 6.138 ( -0.490 -0.236 1.703) 1.788 6.236 ( 1.397 -2.817 -0.371) 3.166 6.292 ( -0.581 -2.585 -0.124) 2.652 6.351 ( -0.048 -3.168 -0.071) 3.169 6.400 ( 1.674 0.021 0.901) 1.901 6.515 ( -1.331 -2.404 -0.531) 2.799 6.606 ( -0.337 -2.348 0.758) 2.490 6.621 ( -0.920 -3.227 0.262) 3.366 6.760 ( 0.755 0.534 -0.956) 1.330 6.809 ( 0.430 0.249 -2.344) 2.396 6.934 ( -0.666 3.651 0.055) 3.711 7.022 ( -1.342 -0.500 1.074) 1.790 7.095 ( 3.300 -1.564 3.671) 5.178 7.241 ( 4.210 1.587 -2.092) 4.962 7.350 ( -1.953 1.225 -4.567) 5.116 7.477 ( 0.750 1.068 -3.620) 3.849 7.694 ( -1.913 1.029 -1.811) 2.828 7.710 ( -1.079 3.806 0.971) 4.074 7.744 ( 1.112 3.202 -1.694) 3.789 7.827 ( -0.687 -2.743 1.034) 3.011 8.203 ( 0.478 1.428 3.251) 3.583 8.276 ( -0.936 -1.114 1.897) 2.391 8.361 ( -2.134 1.362 2.096) 3.287 8.616 ( -0.425 -5.422 -2.466) 5.972 8.818 ( 0.512 1.737 0.849) 2.000 8.853 ( -0.388 0.420 2.296) 2.366 9.023 ( -1.140 2.259 -4.539) 5.197 9.081 ( 0.142 -0.259 -2.456) 2.474 9.765 ( -0.171 1.063 -0.259) 1.107 9.769 ( 0.130 1.155 -0.225) 1.184 9.835 ( 1.160 -1.877 1.887) 2.904 9.873 ( -0.464 -1.929 -0.009) 1.984 10.051 ( -0.014 0.313 0.571) 0.651 10.092 ( -0.173 -1.020 -0.457) 1.131 10.188 ( 0.011 1.668 0.540) 1.754 10.220 ( 0.465 0.487 -0.152) 0.690 12.626 ( -0.017 0.113 0.211) 0.240 12.645 ( 0.029 -0.444 -0.229) 0.501 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 5.513 -4.361 -1.562) 7.201 0.790 ( 0.298 -4.925 2.396) 5.485 0.957 ( -0.674 4.608 1.942) 5.045 1.018 ( 6.822 5.528 -0.577) 8.800 1.177 ( 1.577 12.411 8.815) 15.304 1.385 ( -1.064 9.741 5.695) 11.333 1.546 ( 1.272 1.980 -1.334) 2.705 1.761 ( -1.308 3.459 -5.163) 6.351 1.811 ( 4.538 0.231 -5.030) 6.779 1.943 ( 2.259 -0.360 -0.728) 2.401 2.034 ( -0.453 2.359 -2.353) 3.362 2.162 ( -1.449 -0.360 4.988) 5.206 2.245 ( -0.816 7.594 0.665) 7.667 2.372 ( 7.492 14.347 4.084) 16.693 2.494 ( 1.717 0.406 9.474) 9.637 2.533 ( -2.174 -1.360 3.950) 4.710 2.652 ( -0.393 6.450 3.178) 7.201 2.696 ( -5.509 -1.512 3.672) 6.791 2.755 ( -2.488 -2.251 0.896) 3.473 2.930 ( -0.417 -0.241 1.283) 1.370 2.948 ( -0.592 -7.401 0.480) 7.440 3.055 ( 1.107 1.912 -2.576) 3.394 3.138 ( 4.297 -0.568 2.058) 4.798 3.172 ( 0.714 -2.190 2.586) 3.463 3.228 ( -0.900 -2.663 -4.265) 5.108 3.343 ( -2.792 -3.198 1.998) 4.692 3.360 ( -0.410 3.598 -1.018) 3.762 3.446 ( 1.401 1.370 -4.301) 4.726 3.507 ( -0.275 0.648 -1.607) 1.754 3.642 ( -0.023 0.336 0.655) 0.737 3.684 ( 2.098 1.797 -2.155) 3.504 3.723 ( -0.489 -2.409 1.068) 2.680 3.847 ( -0.530 4.739 -0.336) 4.781 3.866 ( 2.090 -0.218 0.646) 2.198 3.997 ( -4.287 -3.743 -0.716) 5.736 4.187 ( -1.912 -1.720 0.570) 2.634 4.264 ( 1.100 -2.392 -0.386) 2.661 4.278 ( 1.827 -8.137 5.465) 9.971 4.347 ( -1.915 -1.181 -5.077) 5.553 4.454 ( -4.801 -3.232 -3.034) 6.534 4.585 ( 2.414 -4.534 -3.353) 6.134 4.837 ( -0.590 -1.344 -5.225) 5.427 5.175 ( 1.155 2.148 1.276) 2.752 5.226 ( 0.218 0.795 -0.664) 1.058 5.329 ( -0.457 -2.215 -0.290) 2.280 5.353 ( 1.390 -3.435 1.845) 4.140 6.126 ( -1.476 -0.154 1.203) 1.910 6.220 ( -2.705 -2.017 0.223) 3.382 6.279 ( -1.377 -0.751 1.061) 1.893 6.322 ( -1.478 -1.599 -1.178) 2.476 6.450 ( 0.576 -1.906 -0.178) 1.999 6.501 ( 1.900 -4.624 0.720) 5.051 6.599 ( -0.063 -1.108 1.107) 1.567 6.626 ( 0.718 -2.333 0.626) 2.520 6.777 ( 1.114 0.308 -0.875) 1.450 6.800 ( 0.289 1.499 -2.338) 2.792 6.932 ( 0.698 3.957 -0.649) 4.070 7.040 ( 2.258 0.090 2.298) 3.223 7.165 ( -0.750 -0.110 1.717) 1.876 7.288 ( 3.869 -4.468 -7.188) 9.306 7.328 ( 1.506 2.892 3.310) 4.646 7.463 ( 0.641 1.633 -6.773) 6.997 7.632 ( -2.861 1.171 -3.853) 4.940 7.697 ( -1.404 1.361 2.909) 3.505 7.736 ( -0.512 1.991 -1.704) 2.670 7.848 ( 1.321 -1.098 2.863) 3.339 8.190 ( -4.204 1.420 0.441) 4.460 8.222 ( -3.810 -0.762 5.795) 6.977 8.367 ( 1.178 1.123 -0.220) 1.642 8.587 ( -1.182 -4.794 -1.511) 5.164 8.831 ( 0.152 1.296 1.342) 1.872 8.853 ( -0.714 0.534 2.334) 2.499 8.964 ( -2.166 3.568 -3.021) 5.153 9.058 ( -1.167 -0.282 -2.604) 2.868 9.753 ( -0.472 1.153 -0.360) 1.296 9.782 ( 0.913 1.051 -0.009) 1.392 9.842 ( -1.234 -2.066 0.291) 2.424 9.870 ( 0.058 -1.837 0.730) 1.978 10.052 ( -0.163 0.417 0.706) 0.836 10.090 ( 0.115 -0.637 -0.613) 0.891 10.191 ( 0.020 1.618 0.452) 1.680 10.231 ( 0.488 -0.134 -0.208) 0.547 12.630 ( 0.350 0.172 0.202) 0.439 12.650 ( 0.521 -0.310 -0.211) 0.642 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 3.943 -0.591 -0.544) 4.024 0.848 ( 4.981 -4.403 1.961) 6.931 0.948 ( -0.027 2.795 0.643) 2.868 1.124 ( 2.044 0.648 -3.269) 3.910 1.254 ( 5.642 8.579 5.236) 11.526 1.477 ( 6.653 5.831 4.077) 9.741 1.620 ( 5.870 0.642 3.125) 6.681 1.728 ( 1.196 2.876 -5.164) 6.031 1.841 ( -0.207 0.784 -2.381) 2.515 1.985 ( 2.497 4.337 -3.572) 6.148 2.015 ( -0.730 -3.442 2.562) 4.352 2.070 ( -6.931 1.579 3.517) 7.932 2.266 ( -0.619 2.389 1.040) 2.678 2.428 ( -3.256 4.463 -1.586) 5.748 2.509 ( -1.984 -6.916 6.603) 9.766 2.581 ( -0.596 -1.913 6.613) 6.910 2.618 ( -0.022 -1.697 3.609) 3.988 2.675 ( -1.467 1.992 1.888) 3.112 2.728 ( 0.277 -0.901 -0.247) 0.975 2.922 ( -2.942 -11.182 -1.611) 11.674 2.946 ( 2.927 7.275 -0.085) 7.842 3.112 ( 4.576 6.824 2.291) 8.529 3.160 ( -1.764 -2.573 -2.120) 3.772 3.191 ( -0.381 -3.792 -0.421) 3.834 3.233 ( 2.962 1.180 2.774) 4.226 3.308 ( 0.501 0.290 0.142) 0.596 3.376 ( -0.017 1.032 3.390) 3.544 3.433 ( 0.212 0.480 -2.243) 2.304 3.522 ( 2.318 0.595 -3.823) 4.510 3.644 ( 0.022 -0.991 -0.089) 0.996 3.684 ( -3.236 -4.962 -0.626) 5.957 3.717 ( 2.087 0.202 1.123) 2.379 3.808 ( -1.240 4.087 -1.016) 4.390 3.939 ( 0.480 0.455 0.038) 0.662 3.970 ( 4.069 1.312 -0.494) 4.303 4.153 ( -2.171 -0.304 -0.159) 2.198 4.222 ( -5.078 -0.715 -0.935) 5.212 4.254 ( -3.344 0.120 -0.961) 3.481 4.332 ( -0.862 -2.659 -0.287) 2.810 4.396 ( -0.038 -5.641 2.777) 6.287 4.600 ( 1.267 -0.894 -5.067) 5.298 4.792 ( -1.263 1.019 -4.301) 4.597 5.203 ( 1.100 2.445 0.630) 2.755 5.220 ( -0.175 1.151 -1.438) 1.850 5.327 ( 0.391 -0.708 -0.834) 1.162 5.372 ( -0.123 -2.908 0.979) 3.070 6.101 ( -1.435 0.262 0.632) 1.590 6.155 ( -3.624 -0.716 -0.073) 3.695 6.246 ( -1.939 -0.903 -0.257) 2.154 6.310 ( -0.169 -0.164 2.316) 2.328 6.428 ( -0.775 -5.092 -2.861) 5.892 6.554 ( 0.299 -5.024 4.122) 6.505 6.621 ( 1.976 1.955 -0.634) 2.851 6.651 ( 1.613 1.725 1.328) 2.709 6.795 ( 1.884 0.852 -1.234) 2.408 6.812 ( 2.085 1.794 -1.971) 3.383 6.938 ( -0.210 2.820 -0.226) 2.836 7.077 ( -4.860 3.095 -1.999) 6.099 7.117 ( 3.330 -0.578 0.321) 3.395 7.345 ( 3.475 -3.410 -3.858) 6.211 7.382 ( 1.849 -0.980 2.395) 3.180 7.444 ( 0.967 -0.489 -6.335) 6.427 7.561 ( -2.670 0.653 -1.923) 3.354 7.692 ( -0.516 -0.916 2.815) 3.005 7.722 ( -0.239 2.076 -0.826) 2.247 7.887 ( 1.013 -1.842 3.229) 3.853 8.087 ( -5.527 2.165 0.146) 5.938 8.202 ( -1.978 -3.126 6.049) 7.091 8.379 ( 0.435 -0.346 -1.860) 1.941 8.565 ( -0.837 -5.521 0.366) 5.596 8.830 ( -1.058 0.812 1.610) 2.090 8.856 ( -0.180 0.500 1.975) 2.045 8.925 ( -0.866 3.003 -1.682) 3.549 9.020 ( -1.360 -0.309 -2.539) 2.897 9.748 ( -0.003 0.956 -0.031) 0.957 9.797 ( 0.606 1.045 -0.087) 1.211 9.817 ( -1.019 -1.486 -0.354) 1.837 9.869 ( -0.467 -1.094 0.626) 1.344 10.052 ( -0.191 0.411 0.659) 0.800 10.090 ( 0.212 -0.480 -0.603) 0.799 10.193 ( -0.079 1.801 0.402) 1.847 10.232 ( -0.120 -0.028 -0.355) 0.376 12.640 ( 0.572 0.349 0.174) 0.693 12.659 ( 0.506 -0.063 -0.171) 0.538 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.245 6.631 0.852) 6.691 0.950 ( 4.328 -1.229 -0.855) 4.580 0.986 ( 2.497 -0.251 0.341) 2.532 1.096 ( -1.954 -1.008 -0.601) 2.280 1.376 ( 4.614 1.583 -2.820) 5.634 1.602 ( 1.901 0.669 -1.812) 2.709 1.709 ( 2.520 -0.185 -3.207) 4.083 1.776 ( 1.032 -1.141 3.036) 3.404 1.813 ( 0.279 6.341 4.225) 7.625 1.962 ( -0.628 2.261 5.853) 6.306 1.981 ( -3.196 2.343 0.115) 3.964 2.061 ( 1.598 2.112 1.672) 3.132 2.202 ( -4.444 -1.384 1.233) 4.815 2.371 ( -2.557 1.981 -2.718) 4.225 2.483 ( -1.619 -7.765 5.166) 9.466 2.557 ( -2.061 -8.403 2.848) 9.109 2.650 ( -0.749 0.616 -2.175) 2.381 2.665 ( 0.272 0.302 3.484) 3.508 2.761 ( 3.060 -4.356 -0.003) 5.324 2.850 ( -2.394 -8.971 -2.261) 9.557 3.007 ( 0.812 1.312 2.327) 2.793 3.106 ( -0.830 0.766 0.257) 1.158 3.172 ( 0.054 0.381 -2.208) 2.242 3.184 ( -0.401 -1.210 0.389) 1.333 3.290 ( 1.391 0.568 2.795) 3.174 3.339 ( -1.190 -1.807 -2.935) 3.646 3.355 ( 2.285 0.212 0.556) 2.361 3.496 ( -3.233 1.598 2.260) 4.256 3.510 ( 2.438 -2.281 0.470) 3.372 3.600 ( -0.642 -1.557 -2.603) 3.100 3.697 ( 2.748 0.304 1.335) 3.070 3.771 ( 0.456 -1.321 2.818) 3.145 3.787 ( -0.094 5.840 0.795) 5.894 3.973 ( 2.800 -0.169 -0.332) 2.825 4.005 ( 1.082 3.427 -3.580) 5.072 4.109 ( -1.001 3.610 -0.598) 3.794 4.163 ( -0.185 1.687 1.920) 2.562 4.181 ( -3.064 0.089 -0.534) 3.112 4.332 ( 0.558 -0.730 0.078) 0.922 4.405 ( -1.521 -4.422 4.567) 6.537 4.584 ( 0.651 2.376 -7.362) 7.763 4.760 ( -0.067 2.055 -3.197) 3.801 5.199 ( -0.332 2.377 -2.080) 3.176 5.226 ( 0.444 2.507 -0.215) 2.555 5.331 ( 0.515 -0.573 -0.877) 1.168 5.364 ( -0.797 -1.711 -0.048) 1.889 6.083 ( -0.704 0.460 0.194) 0.863 6.101 ( -1.719 0.492 -0.174) 1.796 6.216 ( -1.041 -2.151 -0.210) 2.399 6.329 ( 0.315 0.782 4.202) 4.285 6.404 ( -0.118 -6.795 -3.724) 7.749 6.551 ( -1.787 -4.234 3.299) 5.657 6.637 ( 0.083 3.940 -0.833) 4.027 6.697 ( 1.999 4.230 0.637) 4.722 6.831 ( 2.037 1.961 -1.442) 3.174 6.862 ( 3.363 0.838 -0.068) 3.467 6.918 ( -1.370 2.905 -0.307) 3.226 6.968 ( -4.154 2.813 -3.175) 5.937 7.185 ( 3.002 -0.217 -0.980) 3.165 7.369 ( -0.897 -2.169 1.270) 2.669 7.391 ( 1.310 -0.406 -7.607) 7.730 7.429 ( -0.873 -3.595 -1.330) 3.932 7.553 ( 2.285 -1.194 1.466) 2.966 7.703 ( 0.244 -2.466 2.093) 3.244 7.718 ( -0.021 2.768 0.046) 2.768 7.912 ( -0.067 -3.132 2.805) 4.205 8.004 ( -3.027 2.384 -0.265) 3.863 8.210 ( -0.650 -5.319 7.245) 9.011 8.367 ( -0.026 -1.048 -3.259) 3.423 8.557 ( -0.477 -6.536 0.856) 6.609 8.814 ( -1.232 1.055 1.389) 2.136 8.860 ( -0.461 0.253 1.605) 1.689 8.912 ( 0.242 1.954 -1.336) 2.379 8.993 ( 0.001 -0.290 -2.191) 2.210 9.750 ( 0.141 0.918 0.181) 0.946 9.802 ( -0.004 1.056 -0.456) 1.150 9.809 ( 0.292 -1.021 0.448) 1.153 9.861 ( -0.582 -0.643 0.158) 0.882 10.051 ( -0.282 0.420 0.511) 0.719 10.092 ( 0.318 -0.573 -0.553) 0.858 10.192 ( -0.199 2.022 0.372) 2.066 10.227 ( -0.175 0.325 -0.432) 0.568 12.650 ( 0.276 0.509 0.177) 0.606 12.665 ( 0.199 0.113 -0.168) 0.284 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.842 6.304 1.444) 6.522 0.960 ( -2.463 3.016 -1.588) 4.205 0.995 ( -1.973 0.074 1.306) 2.367 1.102 ( 2.727 -2.528 -0.812) 3.806 1.347 ( -7.904 2.967 -4.915) 9.769 1.507 ( -8.518 3.459 1.091) 9.258 1.619 ( -3.624 4.046 -6.431) 8.418 1.766 ( -2.196 -1.471 4.429) 5.158 1.932 ( 1.471 5.187 2.863) 6.104 1.980 ( 5.458 -0.795 1.764) 5.791 2.044 ( 2.886 0.947 4.542) 5.464 2.088 ( 1.562 2.555 2.778) 4.085 2.179 ( 0.828 -4.134 3.418) 5.428 2.272 ( -5.964 -2.370 -0.602) 6.445 2.499 ( 0.256 -3.149 -3.607) 4.795 2.544 ( 0.656 -4.776 2.368) 5.371 2.632 ( -1.521 -2.345 -0.175) 2.800 2.673 ( -0.566 0.874 5.227) 5.330 2.810 ( 1.678 -5.651 0.021) 5.895 2.818 ( -2.134 -3.247 0.924) 3.994 2.999 ( 1.119 -3.768 -0.563) 3.970 3.092 ( -3.607 2.063 -0.840) 4.240 3.132 ( -1.286 0.571 -3.294) 3.582 3.208 ( 3.316 -0.493 -0.019) 3.352 3.260 ( -6.351 1.685 -0.051) 6.571 3.332 ( -1.467 -3.044 -1.889) 3.871 3.355 ( 0.838 -0.970 3.766) 3.978 3.470 ( 2.148 -2.578 3.026) 4.518 3.552 ( 1.357 -4.208 -1.463) 4.657 3.601 ( 0.800 2.075 -2.744) 3.532 3.706 ( -4.769 3.087 1.159) 5.798 3.722 ( -0.219 -0.222 1.494) 1.526 3.846 ( 2.036 2.222 2.515) 3.925 4.004 ( -1.378 1.591 0.692) 2.216 4.013 ( 1.605 0.342 -3.827) 4.165 4.130 ( 0.122 1.542 2.190) 2.681 4.157 ( 2.777 -0.199 -1.179) 3.024 4.226 ( 4.836 2.206 3.445) 6.334 4.350 ( 1.494 0.151 0.015) 1.502 4.388 ( -2.205 -2.494 4.467) 5.571 4.581 ( 4.255 4.789 -9.266) 11.265 4.755 ( 0.800 0.452 -2.533) 2.695 5.184 ( -0.371 3.246 -1.194) 3.478 5.218 ( -0.662 2.810 -2.128) 3.586 5.338 ( 0.432 -1.772 -0.178) 1.833 5.344 ( -0.960 -0.885 -0.599) 1.436 6.077 ( 0.206 1.031 0.162) 1.063 6.097 ( 1.121 0.589 -0.413) 1.332 6.209 ( 0.261 -3.221 0.580) 3.283 6.354 ( -0.154 -0.459 3.123) 3.160 6.388 ( 0.679 -6.292 -3.218) 7.099 6.540 ( -0.881 -3.195 3.191) 4.601 6.622 ( -0.809 4.686 -1.537) 4.997 6.714 ( -0.967 3.610 1.486) 4.022 6.822 ( -1.417 1.461 -1.735) 2.674 6.862 ( -3.507 0.254 -0.583) 3.564 6.930 ( 2.472 2.153 0.078) 3.279 6.952 ( 3.918 3.952 -3.030) 6.337 7.200 ( -1.046 0.863 -1.415) 1.960 7.309 ( -4.277 -3.429 -0.364) 5.494 7.398 ( 2.216 0.047 -5.167) 5.623 7.421 ( 0.835 -3.051 -1.879) 3.679 7.622 ( 3.136 -0.930 2.244) 3.966 7.709 ( 0.231 -0.990 -1.305) 1.654 7.731 ( 0.424 1.376 3.322) 3.621 7.910 ( -1.640 -4.223 3.484) 5.715 7.983 ( 1.314 3.439 -0.684) 3.745 8.231 ( -0.706 -4.185 4.409) 6.120 8.371 ( 1.766 -2.723 0.478) 3.281 8.554 ( 0.061 -6.826 -0.177) 6.829 8.801 ( -0.687 1.232 0.915) 1.682 8.854 ( -0.793 0.046 1.163) 1.409 8.921 ( 1.292 1.704 -0.837) 2.297 9.001 ( 1.803 -0.483 -1.868) 2.641 9.756 ( 0.352 1.148 0.571) 1.329 9.793 ( -0.466 1.000 -0.907) 1.429 9.825 ( 0.636 -0.919 1.042) 1.528 9.851 ( -0.354 -0.628 -0.300) 0.781 10.047 ( -0.291 0.475 0.397) 0.684 10.096 ( 0.385 -0.806 -0.441) 0.996 10.190 ( -0.199 2.150 0.349) 2.187 10.223 ( 0.082 0.429 -0.513) 0.674 12.650 ( -0.413 0.521 0.156) 0.683 12.666 ( -0.076 0.097 -0.148) 0.192 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.157 0.140 0.821) 4.240 0.894 ( -4.898 -0.895 1.559) 5.217 0.950 ( -1.794 4.441 0.135) 4.791 1.085 ( -7.470 14.398 -3.209) 16.535 1.175 ( -0.955 -1.352 0.358) 1.694 1.344 ( -8.318 9.677 4.810) 13.637 1.609 ( 3.416 6.289 -5.633) 9.108 1.738 ( -1.226 0.934 2.023) 2.543 1.922 ( -2.282 3.901 -2.274) 5.059 2.032 ( -1.256 -0.404 -3.171) 3.435 2.069 ( -1.963 -0.088 3.586) 4.090 2.102 ( -3.053 -4.734 5.243) 7.696 2.217 ( 3.021 -5.512 -0.089) 6.286 2.282 ( 2.181 3.679 9.837) 10.726 2.474 ( -0.149 0.180 -2.296) 2.307 2.563 ( -4.054 5.434 1.162) 6.879 2.576 ( -0.940 -3.462 2.124) 4.169 2.664 ( -3.086 7.510 2.478) 8.489 2.787 ( 1.457 -2.357 4.005) 4.870 2.852 ( 1.811 -5.330 -2.704) 6.245 3.007 ( -2.056 -2.002 -1.359) 3.175 3.054 ( 3.333 -4.130 -2.289) 5.780 3.111 ( -1.253 0.291 -0.872) 1.553 3.139 ( -4.146 0.837 1.460) 4.475 3.282 ( 4.203 -1.720 -1.941) 4.939 3.290 ( -2.951 -2.202 2.121) 4.249 3.411 ( 2.590 0.862 2.774) 3.892 3.501 ( -1.973 1.128 -0.147) 2.277 3.543 ( -0.468 -3.670 -1.257) 3.907 3.611 ( 2.458 -0.523 -0.407) 2.546 3.638 ( -3.098 0.862 0.162) 3.220 3.748 ( 2.220 -1.820 -0.095) 2.872 3.860 ( -1.820 2.481 -1.565) 3.452 3.968 ( -3.307 -0.166 0.858) 3.420 3.989 ( 0.499 0.585 1.359) 1.562 4.156 ( 1.771 -3.634 -0.877) 4.137 4.203 ( 1.100 -1.204 -0.117) 1.635 4.302 ( 0.889 -0.229 1.700) 1.932 4.386 ( 1.540 -1.764 0.428) 2.381 4.400 ( 2.940 0.461 1.876) 3.518 4.654 ( 5.694 2.362 -5.464) 8.238 4.758 ( 1.466 -1.499 -3.835) 4.371 5.173 ( -0.535 2.752 -0.595) 2.866 5.192 ( -0.465 2.986 -1.876) 3.557 5.315 ( -1.385 0.199 -1.056) 1.753 5.352 ( 0.428 -3.726 0.788) 3.832 6.096 ( 1.426 1.219 0.775) 2.030 6.129 ( 2.561 0.120 -0.847) 2.700 6.235 ( 2.065 -4.080 1.362) 4.772 6.343 ( -0.580 -5.668 -2.315) 6.150 6.404 ( 0.821 -0.374 0.607) 1.087 6.539 ( -1.315 -1.035 3.144) 3.561 6.612 ( 0.484 1.962 -0.461) 2.073 6.678 ( -3.061 1.198 2.261) 3.990 6.781 ( -2.242 0.550 -1.700) 2.867 6.819 ( 0.162 -0.584 -2.446) 2.520 6.953 ( -0.216 1.778 0.187) 1.801 7.019 ( 3.609 2.939 -2.430) 5.251 7.155 ( -2.463 1.958 0.840) 3.256 7.219 ( -4.621 -2.780 -2.031) 5.763 7.414 ( 2.463 -0.175 -9.083) 9.413 7.437 ( 1.085 -1.250 2.093) 2.668 7.675 ( 1.600 2.406 1.582) 3.294 7.708 ( 0.394 0.909 -1.178) 1.539 7.750 ( -0.131 0.051 1.817) 1.822 7.890 ( -1.916 -4.430 1.730) 5.127 8.046 ( 4.465 3.891 2.627) 6.479 8.233 ( 0.093 -1.180 0.782) 1.419 8.412 ( 0.300 -4.317 3.572) 5.611 8.570 ( 2.172 -6.514 -0.470) 6.882 8.799 ( 0.054 1.303 0.496) 1.395 8.846 ( -0.541 -0.009 1.162) 1.282 8.958 ( 3.056 1.944 -0.401) 3.644 9.035 ( 2.540 -0.674 -1.770) 3.168 9.767 ( 0.325 1.271 0.691) 1.483 9.778 ( -0.537 0.983 -1.023) 1.516 9.824 ( -0.771 -0.550 -0.185) 0.965 9.858 ( 0.852 -1.215 0.573) 1.591 10.045 ( -0.153 0.526 0.405) 0.681 10.101 ( 0.242 -1.133 -0.335) 1.206 10.188 ( -0.182 2.101 0.400) 2.146 10.223 ( 0.071 0.351 -0.602) 0.701 12.639 ( -0.668 0.378 0.137) 0.780 12.660 ( -0.416 -0.102 -0.138) 0.450 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -2.413 2.024 -1.574) 3.521 0.754 ( -7.506 -2.819 0.780) 8.056 0.939 ( -0.472 8.351 -0.786) 8.401 1.034 ( -0.315 13.983 9.333) 16.815 1.105 ( -7.000 1.372 1.281) 7.247 1.334 ( 4.401 12.015 2.454) 13.029 1.639 ( -0.430 4.591 -1.262) 4.781 1.748 ( 2.178 3.264 -6.426) 7.529 1.855 ( -2.216 2.813 -3.720) 5.163 1.954 ( -2.948 5.113 -0.692) 5.943 2.026 ( -3.136 4.336 6.633) 8.523 2.093 ( -1.338 1.980 1.453) 2.797 2.208 ( -3.878 -6.250 0.521) 7.373 2.308 ( -2.873 13.153 7.774) 15.547 2.452 ( -4.084 0.503 6.718) 7.878 2.519 ( 3.165 2.073 1.561) 4.093 2.628 ( 2.638 1.221 -2.788) 4.027 2.690 ( 3.719 2.381 5.011) 6.679 2.814 ( -1.299 -0.451 1.046) 1.728 2.876 ( 2.950 -3.756 -1.064) 4.893 2.982 ( -2.334 -4.344 1.561) 5.173 3.032 ( -1.665 -2.136 -0.637) 2.782 3.112 ( 1.852 0.156 -1.571) 2.433 3.159 ( 2.426 -2.300 1.813) 3.803 3.213 ( -4.814 -3.223 1.173) 5.911 3.352 ( 2.114 0.852 0.455) 2.324 3.431 ( -2.377 1.996 0.173) 3.109 3.476 ( 1.632 -1.187 -0.817) 2.177 3.541 ( 0.204 3.110 -2.062) 3.738 3.571 ( -0.582 -0.313 -3.749) 3.807 3.677 ( 2.663 -4.453 1.241) 5.334 3.729 ( -4.689 5.484 -2.160) 7.532 3.823 ( 0.986 -5.169 0.483) 5.284 3.937 ( -1.864 -0.058 2.391) 3.033 4.044 ( 3.807 -0.574 1.626) 4.179 4.150 ( -1.550 -4.840 -1.401) 5.272 4.218 ( 0.993 -2.246 0.661) 2.544 4.290 ( -2.223 -2.820 0.310) 3.604 4.421 ( 1.818 -3.311 -2.846) 4.729 4.470 ( 3.576 0.384 0.577) 3.642 4.657 ( -2.891 -4.904 -2.505) 6.220 4.804 ( 5.001 -1.029 -5.762) 7.699 5.155 ( -0.362 1.923 -1.436) 2.427 5.200 ( 0.950 1.894 1.390) 2.534 5.290 ( -0.414 0.596 -0.471) 0.866 5.357 ( -0.470 -4.637 0.945) 4.756 6.126 ( 0.888 0.231 1.549) 1.800 6.183 ( 3.548 -0.560 -0.674) 3.654 6.289 ( 2.077 -4.356 1.066) 4.942 6.326 ( 0.497 -5.835 -1.685) 6.093 6.405 ( -0.797 1.735 -0.239) 1.924 6.531 ( -0.706 -0.770 1.482) 1.813 6.609 ( -0.825 -0.890 0.833) 1.472 6.647 ( -1.755 -1.835 1.615) 3.009 6.755 ( 0.496 0.721 -1.786) 1.989 6.814 ( 0.274 -1.669 -2.379) 2.919 6.938 ( -0.621 2.473 0.375) 2.577 7.041 ( -0.184 0.407 -0.049) 0.450 7.104 ( -4.863 -1.477 1.850) 5.409 7.177 ( 3.028 3.323 -2.648) 5.218 7.397 ( -0.001 -0.290 -6.706) 6.712 7.468 ( 1.369 0.352 -0.605) 1.537 7.704 ( 0.353 4.622 1.702) 4.938 7.716 ( 1.387 2.408 -1.012) 2.957 7.740 ( -1.039 0.645 -0.637) 1.379 7.856 ( -2.029 -3.961 0.063) 4.451 8.146 ( 3.655 2.939 4.019) 6.177 8.252 ( 1.508 -0.028 0.532) 1.600 8.403 ( -2.613 -2.716 2.848) 4.724 8.613 ( 1.861 -6.324 -1.052) 6.676 8.806 ( 0.435 1.599 0.400) 1.705 8.847 ( -0.142 0.185 1.778) 1.794 9.019 ( 3.217 1.301 -2.191) 4.104 9.071 ( 2.053 -0.569 -1.861) 2.829 9.765 ( -0.118 0.825 -0.654) 1.059 9.774 ( -0.111 1.394 0.294) 1.429 9.813 ( 0.027 -0.622 0.421) 0.751 9.874 ( 0.357 -1.602 0.472) 1.708 10.047 ( 0.109 0.427 0.516) 0.679 10.099 ( -0.213 -1.329 -0.384) 1.400 10.187 ( -0.158 1.937 0.503) 2.007 10.219 ( -0.098 0.520 -0.471) 0.708 12.629 ( -0.420 0.199 0.165) 0.493 12.651 ( -0.439 -0.345 -0.178) 0.587 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -1.877 0.698 -1.703) 2.629 0.675 ( -0.115 -4.011 -2.606) 4.785 1.038 ( -0.562 3.103 0.183) 3.159 1.060 ( -1.114 1.284 0.590) 1.799 1.341 ( 0.958 12.135 2.169) 12.365 1.520 ( 0.496 -5.653 -4.306) 7.123 1.684 ( -0.777 11.923 0.904) 11.983 1.797 ( -0.656 -1.277 -2.713) 3.070 1.849 ( -0.364 1.815 -0.927) 2.070 1.897 ( -1.889 -2.844 0.104) 3.415 2.053 ( -0.094 -0.478 -0.616) 0.785 2.094 ( 0.185 -4.078 4.224) 5.874 2.302 ( 4.970 6.953 8.210) 11.851 2.410 ( 0.060 -3.960 10.754) 11.460 2.565 ( -2.596 4.243 -2.234) 5.453 2.638 ( 2.748 -2.789 -5.351) 6.631 2.695 ( -3.203 7.064 4.214) 8.827 2.781 ( -3.944 1.369 -0.114) 4.176 2.853 ( -2.812 4.490 4.753) 7.117 2.890 ( -1.631 1.195 3.697) 4.214 2.931 ( 4.448 9.385 -1.155) 10.450 2.976 ( 3.620 -2.247 3.854) 5.745 3.074 ( 0.161 -4.032 2.721) 4.867 3.148 ( 0.692 -2.211 -4.341) 4.920 3.201 ( 0.943 5.344 1.289) 5.577 3.359 ( -1.633 -0.643 1.214) 2.134 3.371 ( -1.242 -0.282 -1.311) 1.827 3.457 ( 1.340 -7.979 -2.177) 8.378 3.574 ( 0.072 0.790 -0.986) 1.266 3.578 ( 3.186 -2.244 -0.607) 3.944 3.656 ( 0.460 1.187 1.691) 2.116 3.714 ( -1.977 -4.216 3.719) 5.959 3.847 ( 2.027 8.651 -1.259) 8.974 3.927 ( -0.295 0.571 1.002) 1.190 3.998 ( -2.398 -4.320 2.007) 5.333 4.060 ( -0.884 -7.611 0.335) 7.669 4.176 ( -0.703 3.258 0.792) 3.426 4.256 ( 0.443 2.741 -2.036) 3.444 4.305 ( -2.332 -7.254 -0.942) 7.678 4.361 ( -1.036 -8.295 -4.326) 9.412 4.646 ( 1.017 7.237 -5.957) 9.428 4.771 ( 1.806 -5.555 -6.329) 8.612 5.193 ( 0.593 2.403 0.569) 2.540 5.245 ( 0.951 -1.501 1.719) 2.473 5.262 ( -0.226 0.427 -1.052) 1.158 5.300 ( 0.046 -1.869 0.383) 1.909 6.136 ( -0.107 0.687 0.293) 0.755 6.174 ( 0.454 -3.100 -0.644) 3.198 6.265 ( 1.363 -0.272 1.055) 1.745 6.285 ( 1.909 -2.415 1.483) 3.417 6.429 ( -1.150 1.992 -0.324) 2.323 6.470 ( -2.324 -2.307 -0.718) 3.352 6.575 ( -0.750 -0.453 0.725) 1.137 6.584 ( -1.400 -1.129 0.805) 1.971 6.780 ( 0.729 1.451 -0.644) 1.747 6.804 ( 0.938 -0.838 -1.160) 1.711 6.979 ( 1.637 1.525 -1.120) 2.502 7.011 ( 2.896 -1.539 0.015) 3.280 7.118 ( -1.935 4.338 3.320) 5.795 7.211 ( -0.501 -4.284 -0.423) 4.333 7.396 ( 0.693 3.692 -1.922) 4.219 7.462 ( 1.662 -2.561 -4.084) 5.099 7.713 ( -2.386 1.244 -0.169) 2.697 7.743 ( -2.752 -1.259 0.481) 3.064 7.784 ( 0.380 1.634 -0.496) 1.749 7.801 ( 1.118 -0.011 1.303) 1.717 8.233 ( -0.323 1.504 2.146) 2.640 8.257 ( -0.935 -1.043 1.679) 2.187 8.414 ( 0.097 3.996 -0.287) 4.007 8.508 ( 0.168 -5.570 -1.591) 5.795 8.846 ( 0.129 1.055 1.404) 1.760 8.857 ( -0.145 -0.133 1.876) 1.886 9.054 ( -0.017 1.195 -2.922) 3.157 9.072 ( 0.242 -0.707 -2.323) 2.441 9.785 ( 0.429 1.077 -0.026) 1.159 9.798 ( -0.447 1.745 -0.263) 1.821 9.807 ( 0.657 -1.217 0.606) 1.510 9.835 ( -0.521 -2.034 -0.229) 2.113 10.060 ( 0.031 0.608 0.421) 0.740 10.074 ( 0.001 -0.835 0.050) 0.837 10.214 ( -0.030 0.948 0.178) 0.965 10.224 ( 0.103 -0.140 -0.046) 0.180 12.630 ( -0.001 0.272 0.070) 0.281 12.637 ( 0.016 -0.419 -0.087) 0.428 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 4.713 0.413 -1.982) 5.130 0.694 ( 3.259 -4.265 -1.146) 5.488 1.035 ( 0.091 3.733 0.557) 3.776 1.076 ( 2.147 0.128 0.175) 2.158 1.387 ( 2.163 8.769 2.007) 9.252 1.498 ( -0.573 -1.827 -0.550) 1.992 1.677 ( 0.071 10.952 -0.438) 10.961 1.771 ( 0.142 -1.250 -4.472) 4.646 1.832 ( 0.096 1.865 0.712) 1.999 1.914 ( 2.197 -3.275 0.671) 4.001 2.054 ( -0.131 1.705 0.868) 1.918 2.121 ( 0.124 -3.492 3.523) 4.962 2.355 ( -3.348 4.203 3.727) 6.540 2.429 ( -5.082 -3.757 8.797) 10.832 2.509 ( -0.220 2.539 2.225) 3.383 2.576 ( -6.692 -3.209 2.398) 7.800 2.662 ( -0.261 4.758 -4.469) 6.532 2.715 ( -0.916 -2.517 -2.718) 3.816 2.800 ( -5.757 -2.523 1.704) 6.513 2.817 ( -5.418 1.958 3.818) 6.912 3.043 ( 4.377 6.293 -1.532) 7.817 3.055 ( 2.320 0.450 6.277) 6.707 3.114 ( -0.016 -4.929 6.704) 8.321 3.151 ( 1.802 -2.917 -4.013) 5.278 3.252 ( 4.126 13.303 1.911) 14.058 3.348 ( 0.442 3.157 0.260) 3.198 3.409 ( 3.539 0.642 -2.308) 4.273 3.468 ( 2.035 -1.754 -1.369) 3.015 3.529 ( -3.578 2.483 0.076) 4.356 3.626 ( 0.909 -4.931 -2.420) 5.568 3.639 ( -0.747 -1.943 0.422) 2.124 3.672 ( -4.136 -4.073 2.815) 6.452 3.894 ( 0.389 2.700 -1.018) 2.912 3.933 ( -0.092 -0.598 -1.617) 1.727 3.961 ( 1.834 4.512 3.213) 5.835 4.096 ( 3.092 -7.934 3.633) 9.258 4.172 ( -0.310 -0.621 1.132) 1.328 4.225 ( -2.248 -4.841 -1.727) 5.610 4.277 ( 0.315 -0.298 -2.549) 2.585 4.337 ( -0.105 -4.932 -3.939) 6.313 4.649 ( 2.150 6.523 -5.609) 8.867 4.769 ( 1.232 -5.375 -6.012) 8.158 5.218 ( 1.467 2.447 0.850) 2.977 5.255 ( 0.049 1.082 -1.297) 1.690 5.278 ( 1.548 -1.830 1.430) 2.791 5.306 ( 0.572 -2.132 -0.011) 2.207 6.127 ( -0.917 0.798 0.238) 1.239 6.163 ( -1.283 -2.896 -0.339) 3.185 6.291 ( -0.327 0.867 1.409) 1.686 6.303 ( 0.082 -0.490 0.304) 0.582 6.410 ( -2.624 -1.088 -1.317) 3.131 6.429 ( 0.105 -2.717 2.326) 3.579 6.587 ( 2.107 0.059 0.110) 2.111 6.599 ( 2.604 -0.977 0.240) 2.791 6.792 ( 0.980 1.188 -0.381) 1.587 6.811 ( 0.912 -0.404 -0.688) 1.212 7.027 ( 2.295 5.157 -3.084) 6.433 7.060 ( 1.607 1.577 1.983) 3.000 7.135 ( 1.899 -1.782 3.390) 4.275 7.183 ( -0.736 -5.784 -2.502) 6.345 7.400 ( 0.348 3.991 -0.621) 4.054 7.462 ( 0.646 -1.961 -5.289) 5.678 7.655 ( -3.203 1.450 -1.593) 3.860 7.687 ( -3.280 -1.670 0.976) 3.808 7.784 ( -0.319 2.604 0.697) 2.714 7.824 ( 0.410 -1.546 2.532) 2.994 8.211 ( -2.964 0.665 1.317) 3.311 8.218 ( -3.971 -0.046 1.813) 4.366 8.407 ( -0.506 3.246 -0.558) 3.332 8.489 ( -1.183 -5.058 -1.123) 5.315 8.850 ( -0.444 0.727 1.593) 1.807 8.858 ( -0.633 -0.073 1.885) 1.990 9.019 ( -1.776 2.110 -2.480) 3.709 9.048 ( -1.401 -0.932 -2.302) 2.852 9.778 ( -0.664 1.375 -0.476) 1.600 9.804 ( 0.037 0.074 -0.045) 0.094 9.809 ( -0.040 -0.294 -0.003) 0.297 9.836 ( 0.628 -1.688 0.449) 1.856 10.063 ( 0.014 0.661 0.394) 0.769 10.076 ( 0.157 -0.718 -0.056) 0.737 10.216 ( 0.141 0.935 0.159) 0.959 10.227 ( 0.225 -0.313 -0.023) 0.386 12.635 ( 0.531 0.341 0.065) 0.635 12.643 ( 0.622 -0.402 -0.073) 0.744 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 7.909 -0.421 -0.888) 7.970 0.785 ( 6.369 -2.335 0.356) 6.792 1.038 ( -0.359 5.163 0.277) 5.183 1.112 ( 0.676 -2.191 -0.437) 2.334 1.411 ( 0.381 6.691 0.163) 6.704 1.515 ( 1.745 -3.644 -0.029) 4.040 1.712 ( 3.528 9.494 0.469) 10.140 1.773 ( 2.488 2.295 -3.561) 4.913 1.865 ( 1.946 0.556 2.366) 3.114 1.941 ( -0.440 -5.124 1.766) 5.437 2.055 ( -1.547 3.630 1.447) 4.203 2.109 ( -1.516 0.383 4.524) 4.786 2.283 ( -6.585 0.352 4.001) 7.713 2.354 ( -2.699 -7.199 3.705) 8.535 2.463 ( -4.894 2.468 2.925) 6.213 2.548 ( -1.960 -2.484 0.997) 3.317 2.620 ( -1.462 1.323 -1.111) 2.263 2.668 ( -2.573 -4.673 -4.723) 7.125 2.726 ( -1.151 0.580 0.316) 1.327 2.751 ( -3.104 -2.715 1.736) 4.474 3.070 ( -2.499 1.500 1.712) 3.381 3.084 ( 1.647 -1.560 -0.595) 2.346 3.125 ( 1.136 0.715 2.575) 2.904 3.196 ( 1.056 -3.054 2.462) 4.062 3.291 ( -0.967 7.502 -1.149) 7.650 3.389 ( -0.046 4.557 0.018) 4.557 3.410 ( -0.397 -2.660 1.633) 3.146 3.432 ( -4.956 0.358 -0.619) 5.007 3.555 ( 3.794 3.291 -3.937) 6.381 3.596 ( -2.521 -1.366 -0.362) 2.890 3.626 ( 3.963 -0.085 0.480) 3.993 3.694 ( 3.373 -3.096 2.284) 5.117 3.879 ( -0.239 3.149 -1.043) 3.326 3.923 ( 0.616 -1.466 0.167) 1.599 4.043 ( 3.678 5.363 -0.541) 6.525 4.157 ( -0.619 0.268 0.687) 0.963 4.182 ( -1.831 -2.770 0.277) 3.332 4.201 ( 3.828 -8.772 4.108) 10.415 4.275 ( 0.126 0.916 -0.015) 0.925 4.305 ( -1.318 -1.928 -1.809) 2.954 4.664 ( 2.222 5.592 -5.553) 8.188 4.763 ( 1.159 -3.857 -5.340) 6.688 5.246 ( 0.818 1.898 -0.742) 2.196 5.253 ( 0.567 1.657 -0.152) 1.758 5.306 ( 1.053 -1.010 -0.524) 1.551 5.321 ( 0.849 -2.247 0.174) 2.408 6.108 ( -1.055 0.709 0.185) 1.284 6.131 ( -1.843 -1.492 0.055) 2.372 6.253 ( -2.100 1.633 -2.347) 3.547 6.309 ( -0.540 -3.409 -1.339) 3.702 6.364 ( -1.563 2.434 2.771) 4.006 6.449 ( -0.561 -5.411 5.174) 7.507 6.654 ( 4.370 1.332 -0.722) 4.625 6.669 ( 4.586 -0.103 -0.345) 4.600 6.818 ( 2.142 1.537 -0.336) 2.658 6.837 ( 2.111 0.118 -0.933) 2.310 7.004 ( -2.090 4.181 -0.489) 4.700 7.080 ( -3.834 -2.914 -0.924) 4.904 7.147 ( 3.992 3.910 -0.709) 5.633 7.243 ( 5.270 -5.792 -2.555) 8.237 7.399 ( -0.631 1.702 0.570) 1.903 7.431 ( -1.226 -1.262 -5.421) 5.699 7.587 ( -3.017 2.182 -0.280) 3.734 7.641 ( -2.070 -3.195 1.840) 4.228 7.782 ( -0.477 3.262 1.637) 3.681 7.840 ( -0.265 -2.810 3.440) 4.450 8.131 ( -4.832 1.859 0.561) 5.208 8.159 ( -3.572 -1.480 2.763) 4.752 8.390 ( -0.773 2.002 -1.462) 2.597 8.460 ( -1.318 -5.017 -0.612) 5.223 8.845 ( -0.876 0.720 1.510) 1.888 8.856 ( -0.502 -0.357 1.494) 1.616 8.977 ( -1.471 2.194 -1.690) 3.136 9.007 ( -1.479 -1.035 -2.070) 2.747 9.768 ( -0.149 1.078 -0.250) 1.117 9.790 ( -0.443 -1.224 -0.351) 1.348 9.821 ( 0.453 1.292 0.148) 1.377 9.846 ( 0.134 -1.308 0.420) 1.380 10.064 ( -0.065 0.727 0.276) 0.780 10.078 ( 0.097 -0.694 -0.182) 0.724 10.219 ( 0.113 0.945 0.132) 0.961 10.230 ( 0.070 -0.264 -0.052) 0.278 12.648 ( 0.730 0.434 0.059) 0.851 12.656 ( 0.694 -0.305 -0.054) 0.760 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 5.365 2.018 0.719) 5.777 0.920 ( 7.118 -1.122 0.469) 7.221 1.021 ( -1.069 3.394 -0.116) 3.560 1.078 ( -3.675 -1.796 -0.298) 4.102 1.427 ( 1.546 4.069 -1.871) 4.738 1.530 ( 0.095 -5.962 -1.897) 6.257 1.767 ( 2.230 4.099 -3.841) 6.044 1.794 ( -1.324 1.593 -2.033) 2.902 1.908 ( 1.176 2.265 5.243) 5.832 1.953 ( 1.306 -2.585 4.929) 5.717 2.015 ( -1.902 5.151 5.148) 7.527 2.142 ( -2.174 -3.946 6.159) 7.631 2.192 ( -1.960 5.519 1.502) 6.046 2.327 ( -3.326 -6.818 1.149) 7.673 2.408 ( -1.131 1.658 1.463) 2.484 2.457 ( -4.690 -0.889 0.454) 4.795 2.618 ( -0.991 -3.490 -0.896) 3.737 2.634 ( 2.126 -6.298 -2.023) 6.948 2.711 ( -1.042 0.274 0.071) 1.080 2.729 ( 0.863 -1.244 -0.265) 1.537 3.032 ( -2.445 2.834 0.728) 3.813 3.105 ( 0.596 -4.164 -1.857) 4.598 3.155 ( 1.014 3.180 1.877) 3.830 3.198 ( -1.191 0.164 0.544) 1.319 3.273 ( 0.756 0.467 -3.110) 3.234 3.345 ( -2.564 -3.023 -1.209) 4.144 3.350 ( -1.900 1.349 0.887) 2.493 3.399 ( -2.155 -5.019 -0.023) 5.462 3.549 ( -0.130 3.185 -0.950) 3.326 3.594 ( 1.239 -1.140 -2.583) 3.083 3.730 ( 2.286 2.250 2.956) 4.362 3.757 ( 1.525 -0.594 3.323) 3.704 3.886 ( 0.960 4.228 -0.555) 4.371 3.950 ( 1.732 -2.334 -1.151) 3.126 4.071 ( 0.029 3.773 -1.157) 3.947 4.133 ( -1.310 -2.085 -0.765) 2.578 4.189 ( 2.770 3.779 2.098) 5.134 4.238 ( -1.900 3.279 2.554) 4.570 4.294 ( 1.254 -4.388 1.599) 4.836 4.308 ( 1.034 -3.379 4.199) 5.488 4.673 ( 1.868 5.619 -6.384) 8.707 4.757 ( 0.845 -2.505 -5.026) 5.679 5.246 ( 0.280 2.373 -1.196) 2.672 5.268 ( 0.493 1.092 0.237) 1.221 5.313 ( 0.213 -0.699 -1.571) 1.733 5.330 ( 0.062 -1.688 -0.562) 1.780 6.094 ( -0.482 0.679 0.181) 0.852 6.104 ( -0.863 -0.276 0.230) 0.935 6.207 ( -1.343 1.460 -2.620) 3.287 6.275 ( -0.930 -5.583 -3.852) 6.847 6.373 ( -0.283 3.487 5.458) 6.483 6.457 ( -1.184 -5.007 5.316) 7.399 6.711 ( 1.993 3.151 -1.842) 4.159 6.744 ( 3.025 0.100 -1.390) 3.331 6.863 ( 1.786 1.517 0.020) 2.343 6.878 ( 2.160 0.331 0.016) 2.186 6.962 ( -1.784 2.095 -0.357) 2.774 6.995 ( -3.077 -0.477 -2.123) 3.769 7.219 ( 3.801 3.884 -2.249) 5.882 7.316 ( 3.863 -5.037 -2.871) 6.967 7.360 ( -4.017 -0.592 -1.817) 4.449 7.378 ( -1.043 -1.568 -2.702) 3.294 7.565 ( 0.444 2.643 2.722) 3.819 7.634 ( 0.304 -3.989 1.901) 4.429 7.781 ( -0.614 3.326 2.199) 4.034 7.846 ( -1.076 -3.451 3.673) 5.153 8.062 ( -2.384 3.221 0.928) 4.114 8.125 ( -1.420 -3.583 3.888) 5.475 8.367 ( -0.460 1.623 -2.628) 3.123 8.437 ( -0.671 -5.465 -0.913) 5.581 8.835 ( -0.884 1.041 1.184) 1.807 8.852 ( -0.589 -0.754 1.119) 1.472 8.952 ( -0.260 1.892 -1.473) 2.412 8.981 ( -0.182 -1.062 -1.889) 2.175 9.769 ( 0.315 1.063 0.246) 1.136 9.790 ( 0.421 -1.034 0.415) 1.191 9.823 ( -0.137 1.177 -0.247) 1.211 9.845 ( -0.331 -1.017 -0.016) 1.070 10.063 ( -0.129 0.791 0.169) 0.819 10.079 ( 0.082 -0.770 -0.228) 0.808 10.221 ( -0.015 0.957 0.106) 0.963 10.230 ( -0.039 -0.070 -0.092) 0.122 12.660 ( 0.342 0.418 0.066) 0.544 12.665 ( 0.283 -0.140 -0.055) 0.320 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -3.768 3.426 0.799) 5.155 0.962 ( -5.175 -1.542 0.987) 5.489 1.030 ( 1.715 2.497 0.356) 3.050 1.070 ( 5.354 -1.480 -0.386) 5.568 1.423 ( -1.812 4.606 -2.333) 5.472 1.504 ( -1.887 -3.177 -0.111) 3.697 1.723 ( -0.433 5.902 -5.573) 8.129 1.783 ( 0.231 1.178 -1.097) 1.626 1.941 ( -1.003 -0.480 1.204) 1.639 1.992 ( 0.843 -1.059 5.004) 5.184 2.053 ( -0.334 -0.551 6.752) 6.783 2.087 ( -4.215 -0.853 8.238) 9.293 2.190 ( 0.310 2.720 0.799) 2.852 2.230 ( -5.484 -1.572 0.579) 5.734 2.421 ( 1.881 -0.324 -0.500) 1.974 2.485 ( 6.409 -2.616 -0.340) 6.931 2.589 ( -2.345 -1.738 -0.812) 3.030 2.663 ( 1.439 -7.216 0.597) 7.383 2.722 ( 1.972 2.276 1.018) 3.179 2.762 ( 1.750 -2.314 1.999) 3.523 2.993 ( -0.772 3.517 -1.798) 4.025 3.081 ( -1.141 -4.035 -4.792) 6.368 3.164 ( -0.434 2.735 1.994) 3.413 3.197 ( 1.091 0.087 0.203) 1.113 3.267 ( -3.899 -0.967 -2.691) 4.835 3.281 ( -0.270 -2.491 -1.701) 3.028 3.363 ( 2.130 1.387 1.626) 3.018 3.400 ( 2.083 -3.108 0.247) 3.750 3.546 ( 0.272 2.796 -0.695) 2.893 3.602 ( 0.941 -1.971 -2.568) 3.371 3.739 ( -2.056 1.678 2.922) 3.948 3.756 ( -3.838 0.851 2.974) 4.930 3.884 ( -0.409 2.648 -0.236) 2.690 3.955 ( -0.532 -3.993 -1.699) 4.372 4.066 ( 0.285 2.926 -1.480) 3.291 4.122 ( 0.471 -2.618 -0.963) 2.829 4.205 ( -2.968 5.017 3.458) 6.778 4.268 ( 1.675 0.742 3.034) 3.544 4.323 ( 1.863 -1.328 3.764) 4.405 4.351 ( 0.970 -2.109 3.847) 4.493 4.679 ( 2.581 4.772 -7.126) 8.956 4.744 ( 0.471 -1.863 -5.113) 5.462 5.244 ( -0.155 2.913 -0.708) 3.002 5.270 ( -0.294 2.224 -0.693) 2.348 5.300 ( -0.678 -1.911 -1.221) 2.367 5.319 ( -0.682 -1.841 -1.066) 2.234 6.094 ( 0.423 0.719 0.306) 0.888 6.103 ( 0.594 -0.094 0.098) 0.610 6.183 ( 0.109 0.945 -2.164) 2.363 6.247 ( -0.114 -5.503 -3.882) 6.736 6.400 ( 0.346 2.729 5.252) 5.929 6.465 ( -0.411 -3.975 4.885) 6.311 6.711 ( -0.699 4.116 -2.083) 4.666 6.759 ( -0.904 -0.124 -0.865) 1.257 6.840 ( -2.934 0.844 -1.200) 3.281 6.857 ( -3.985 -0.652 -0.435) 4.062 6.967 ( 2.009 2.118 -0.137) 2.922 6.997 ( 3.046 0.109 -1.443) 3.372 7.245 ( -0.381 3.086 -2.610) 4.059 7.271 ( -3.673 -0.279 -2.713) 4.575 7.359 ( 0.495 -2.751 -0.374) 2.821 7.366 ( 2.938 -2.938 -2.700) 4.955 7.622 ( 3.527 1.608 2.624) 4.681 7.668 ( 2.373 -2.661 1.030) 3.712 7.779 ( -0.925 2.727 2.515) 3.823 7.835 ( -1.746 -3.383 3.175) 4.957 8.061 ( 1.514 4.405 1.865) 5.017 8.147 ( 1.277 -4.512 4.653) 6.606 8.356 ( 0.979 1.513 -2.730) 3.271 8.429 ( 0.566 -5.673 -1.690) 5.947 8.825 ( -0.600 1.178 0.851) 1.572 8.845 ( -0.657 -0.828 0.798) 1.324 8.956 ( 1.377 1.768 -1.275) 2.578 8.985 ( 1.514 -1.219 -1.684) 2.572 9.781 ( 0.547 1.326 0.768) 1.627 9.805 ( 0.664 -1.167 0.975) 1.659 9.814 ( -0.552 1.116 -0.693) 1.425 9.835 ( -0.537 -0.992 -0.496) 1.233 10.061 ( -0.136 0.890 0.111) 0.907 10.079 ( 0.082 -0.928 -0.208) 0.955 10.220 ( -0.105 0.979 0.095) 0.989 10.229 ( -0.035 0.005 -0.122) 0.127 12.659 ( -0.397 0.436 0.057) 0.592 12.665 ( -0.248 -0.160 -0.049) 0.299 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -6.079 0.724 0.038) 6.122 0.847 ( -6.862 -2.254 0.344) 7.231 1.059 ( 0.410 5.224 0.810) 5.302 1.133 ( 0.483 -2.669 0.315) 2.731 1.361 ( -2.059 11.621 -2.077) 11.983 1.475 ( -0.792 0.907 0.980) 1.552 1.729 ( 1.864 6.553 -2.875) 7.395 1.794 ( 1.685 4.171 -0.781) 4.566 1.887 ( -3.319 -2.901 -2.721) 5.181 1.987 ( -3.208 -7.512 4.174) 9.173 2.061 ( -2.643 1.097 8.543) 9.010 2.079 ( -0.337 -1.292 6.512) 6.647 2.155 ( -1.186 2.953 -3.620) 4.820 2.264 ( 4.626 -5.968 3.532) 8.336 2.489 ( 4.159 2.495 0.142) 4.852 2.537 ( -0.758 0.010 0.358) 0.838 2.610 ( 6.024 0.136 0.050) 6.025 2.692 ( 1.450 -5.805 -0.114) 5.984 2.780 ( 2.871 2.507 3.443) 5.137 2.808 ( 1.589 -0.592 4.419) 4.733 2.982 ( -0.343 0.249 -2.045) 2.089 3.029 ( -1.412 -1.826 -6.297) 6.707 3.143 ( -4.375 6.004 0.186) 7.431 3.186 ( -1.438 2.541 1.067) 3.108 3.251 ( -0.198 -1.920 3.121) 3.669 3.264 ( 3.640 -0.510 -3.328) 4.958 3.425 ( 3.254 -0.376 -0.362) 3.295 3.443 ( 2.340 -4.026 -1.880) 5.022 3.537 ( -1.975 3.320 0.496) 3.895 3.604 ( -0.082 -2.056 -1.767) 2.712 3.668 ( -5.295 1.859 2.036) 5.969 3.704 ( -2.007 -2.114 2.255) 3.685 3.883 ( 0.272 0.605 -0.436) 0.794 3.927 ( -1.401 -3.536 -0.535) 3.840 4.052 ( -1.975 4.418 -0.305) 4.849 4.115 ( -0.487 -1.468 -0.530) 1.635 4.188 ( -0.431 1.415 2.553) 2.951 4.266 ( -1.849 -4.380 2.782) 5.508 4.365 ( -0.691 0.786 2.422) 2.639 4.393 ( 2.160 -1.520 0.924) 2.798 4.696 ( 1.411 2.337 -5.058) 5.748 4.735 ( 2.165 -1.427 -6.246) 6.762 5.225 ( -1.506 2.703 -0.785) 3.192 5.249 ( -1.051 2.364 -1.307) 2.898 5.288 ( -0.472 -2.431 -0.063) 2.478 5.303 ( -0.405 -1.678 -0.497) 1.796 6.109 ( 0.911 0.604 0.389) 1.160 6.125 ( 1.687 -0.762 -0.236) 1.866 6.191 ( 1.646 0.042 -1.073) 1.965 6.234 ( 0.637 -4.300 -2.996) 5.280 6.435 ( 0.801 2.467 3.870) 4.659 6.489 ( 0.242 -3.076 4.211) 5.220 6.671 ( -2.932 3.029 -0.082) 4.217 6.699 ( -4.833 0.306 1.476) 5.062 6.783 ( -2.224 -0.124 -2.079) 3.047 6.795 ( -0.715 -1.476 -3.129) 3.533 6.988 ( 0.004 2.469 -0.521) 2.524 7.037 ( 1.146 -1.639 -1.391) 2.436 7.187 ( -3.411 2.296 0.342) 4.126 7.218 ( -0.889 0.623 -3.277) 3.452 7.377 ( 1.378 -0.905 -1.246) 2.066 7.408 ( 2.564 -2.730 -1.764) 4.139 7.701 ( 3.625 1.430 0.634) 3.948 7.722 ( 2.864 -0.383 0.014) 2.890 7.771 ( -1.267 1.799 2.557) 3.373 7.814 ( -1.902 -3.067 2.313) 4.286 8.127 ( 3.745 4.354 2.870) 6.420 8.200 ( 1.914 -2.835 3.320) 4.767 8.376 ( 1.899 1.124 -1.465) 2.649 8.448 ( 2.464 -5.689 -1.710) 6.431 8.824 ( 0.071 1.146 0.793) 1.395 8.840 ( -0.166 -0.565 0.892) 1.069 8.990 ( 2.827 1.507 -1.225) 3.430 9.016 ( 2.558 -1.225 -1.611) 3.262 9.791 ( -0.116 1.155 0.115) 1.166 9.801 ( -0.101 1.460 -0.189) 1.476 9.811 ( -0.566 -0.854 -0.184) 1.041 9.831 ( 0.427 -1.554 0.444) 1.672 10.059 ( -0.126 0.929 0.143) 0.949 10.079 ( -0.030 -1.086 -0.146) 1.096 10.218 ( -0.176 0.986 0.126) 1.010 10.227 ( -0.080 -0.035 -0.135) 0.161 12.648 ( -0.763 0.467 0.044) 0.896 12.656 ( -0.667 -0.342 -0.047) 0.751 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -5.548 -0.768 -0.503) 5.624 0.723 ( -4.387 -1.262 -1.798) 4.906 1.053 ( -0.956 4.352 0.122) 4.457 1.102 ( -3.122 -0.791 1.149) 3.420 1.334 ( -0.641 13.487 0.125) 13.502 1.498 ( 2.937 -0.867 -2.184) 3.761 1.716 ( -2.153 7.297 -1.111) 7.688 1.825 ( -0.525 -2.565 -3.131) 4.081 1.833 ( 1.200 4.373 0.264) 4.542 1.948 ( -3.237 -5.288 3.240) 6.996 2.070 ( -0.335 -1.602 3.627) 3.979 2.084 ( -2.101 -4.398 2.235) 5.363 2.164 ( 4.295 10.183 3.778) 11.679 2.352 ( 1.637 -7.834 6.606) 10.378 2.542 ( 4.255 2.707 -0.507) 5.069 2.598 ( 3.655 -2.127 -2.226) 4.779 2.700 ( 0.912 6.626 2.934) 7.304 2.742 ( 4.372 2.184 4.804) 6.853 2.851 ( 1.940 2.273 1.781) 3.479 2.855 ( 2.254 3.914 1.984) 4.933 2.945 ( -2.368 0.047 -0.785) 2.495 2.964 ( -2.699 -2.895 -3.480) 5.270 3.073 ( -2.169 2.577 2.337) 4.100 3.168 ( -1.012 -1.081 -0.537) 1.576 3.223 ( -2.432 5.488 -0.134) 6.005 3.364 ( 4.436 -0.868 1.079) 4.648 3.409 ( -2.898 -2.149 -0.621) 3.661 3.472 ( -1.854 -8.168 -0.644) 8.400 3.524 ( 1.583 0.613 -1.720) 2.417 3.559 ( 0.226 -1.118 -0.644) 1.309 3.633 ( 0.399 2.522 0.447) 2.592 3.711 ( 0.448 -5.209 2.489) 5.790 3.863 ( -1.672 5.712 -2.405) 6.419 3.918 ( 0.205 -1.665 1.625) 2.335 4.015 ( -1.791 0.242 2.653) 3.210 4.098 ( -1.481 -4.437 -1.043) 4.793 4.186 ( -1.046 2.136 2.152) 3.207 4.255 ( -0.016 -2.125 0.029) 2.125 4.344 ( -1.680 -1.427 -0.359) 2.234 4.404 ( -0.892 -6.092 -1.479) 6.332 4.671 ( -0.520 4.751 -5.432) 7.236 4.759 ( 2.849 -3.717 -6.259) 7.817 5.195 ( -0.892 2.376 -0.471) 2.582 5.232 ( -0.319 0.093 0.611) 0.696 5.275 ( -0.569 -0.619 -0.818) 1.173 5.299 ( -0.159 -1.787 0.514) 1.866 6.128 ( 0.718 0.585 0.361) 0.994 6.156 ( 1.626 -2.019 -0.590) 2.659 6.230 ( 2.409 -1.229 0.258) 2.717 6.243 ( 1.506 -2.554 -0.977) 3.122 6.451 ( -0.815 2.625 1.287) 3.035 6.499 ( -0.963 -2.340 1.842) 3.130 6.610 ( -3.251 0.812 1.021) 3.503 6.626 ( -3.514 -0.701 1.581) 3.917 6.768 ( 0.931 0.485 -1.351) 1.711 6.783 ( 1.228 -1.267 -2.214) 2.831 6.973 ( -0.435 1.870 -1.060) 2.193 7.016 ( -1.925 -2.421 -1.435) 3.410 7.143 ( -2.194 4.249 2.301) 5.307 7.208 ( 0.802 -1.215 -1.391) 2.014 7.391 ( 0.866 1.279 -1.708) 2.303 7.442 ( 2.181 -2.851 -2.737) 4.514 7.743 ( -0.518 1.354 0.484) 1.528 7.765 ( 1.155 1.462 0.303) 1.888 7.768 ( 1.577 1.124 0.266) 1.955 7.787 ( -1.897 -2.649 1.312) 3.513 8.202 ( 2.297 2.687 2.649) 4.417 8.243 ( 1.186 -1.357 1.991) 2.685 8.402 ( 1.304 2.731 -0.597) 3.085 8.491 ( 2.324 -5.954 -1.364) 6.535 8.834 ( 0.428 1.139 1.017) 1.586 8.847 ( 0.212 -0.265 1.422) 1.462 9.039 ( 2.726 0.932 -1.988) 3.500 9.057 ( 2.324 -0.906 -1.815) 3.085 9.782 ( -0.155 0.932 -0.583) 1.110 9.799 ( -0.155 -0.830 -0.254) 0.881 9.804 ( -0.111 1.767 0.361) 1.807 9.840 ( 0.036 -1.863 0.416) 1.910 10.059 ( -0.060 0.787 0.291) 0.841 10.076 ( -0.178 -1.061 -0.037) 1.076 10.215 ( -0.181 0.970 0.172) 1.002 10.225 ( -0.095 -0.052 -0.105) 0.151 12.635 ( -0.549 0.373 0.050) 0.665 12.643 ( -0.587 -0.436 -0.065) 0.735 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -6.963 0.000 8.333) 10.859 0.759 ( 2.945 0.000 0.433) 2.977 0.892 ( 0.183 0.000 14.074) 14.075 1.064 ( -8.074 0.000 5.140) 9.572 1.106 ( 2.185 0.000 -5.126) 5.572 1.122 ( 8.323 0.000 1.127) 8.399 1.474 ( 15.243 0.000 -1.192) 15.289 1.475 ( -6.694 0.000 -7.018) 9.698 1.499 ( 3.305 0.000 10.211) 10.733 1.632 ( -2.209 0.000 -0.719) 2.323 1.910 ( 3.457 0.000 1.368) 3.718 2.016 ( -8.121 0.000 -7.469) 11.033 2.341 ( -3.004 0.000 5.616) 6.369 2.352 ( -0.216 0.000 2.188) 2.199 2.472 ( 0.696 0.000 5.406) 5.450 2.630 ( -3.555 0.000 -6.932) 7.791 2.674 ( -4.198 0.000 5.194) 6.678 2.697 ( 4.969 0.000 -0.675) 5.014 2.850 ( -2.452 0.000 7.893) 8.265 3.006 ( 2.029 0.000 -1.678) 2.633 3.051 ( 3.413 0.000 -0.100) 3.414 3.124 ( -1.027 0.000 -3.300) 3.456 3.174 ( -3.644 0.000 1.436) 3.917 3.194 ( 6.402 0.000 -5.804) 8.641 3.238 ( -1.003 0.000 2.599) 2.786 3.303 ( -0.373 0.000 -1.729) 1.768 3.350 ( 1.488 0.000 -0.941) 1.761 3.362 ( -0.461 0.000 -6.065) 6.082 3.464 ( -0.069 0.000 0.907) 0.910 3.486 ( -0.328 0.000 -1.881) 1.910 3.709 ( 3.329 0.000 5.203) 6.177 3.821 ( -2.823 0.000 2.237) 3.601 3.821 ( -4.840 0.000 -5.914) 7.642 3.844 ( 1.901 0.000 -0.162) 1.908 4.134 ( -1.295 0.000 -1.464) 1.955 4.134 ( 3.155 0.000 -0.790) 3.252 4.267 ( 0.570 0.000 1.759) 1.849 4.297 ( -2.013 0.000 -1.088) 2.288 4.576 ( -0.894 0.000 4.612) 4.698 4.682 ( 2.757 0.000 -6.385) 6.955 4.693 ( -4.442 0.000 2.396) 5.047 4.750 ( 2.907 0.000 -3.339) 4.427 5.160 ( 0.426 0.000 3.154) 3.183 5.207 ( 0.204 0.000 -1.665) 1.678 5.477 ( 8.712 0.000 0.635) 8.735 5.489 ( -5.951 0.000 -0.563) 5.977 6.152 ( -1.077 0.000 2.442) 2.669 6.196 ( 3.370 0.000 -2.008) 3.923 6.429 ( -0.421 0.000 1.081) 1.160 6.465 ( -1.517 0.000 -2.659) 3.062 6.520 ( -0.383 0.000 2.973) 2.997 6.576 ( 1.179 0.000 -2.606) 2.860 6.711 ( -1.584 0.000 0.830) 1.788 6.729 ( 1.317 0.000 -0.784) 1.533 6.765 ( -4.240 0.000 0.384) 4.257 6.767 ( 3.010 0.000 -0.256) 3.021 6.828 ( 2.652 0.000 0.222) 2.662 6.838 ( -1.755 0.000 -0.400) 1.800 7.081 ( -3.567 0.000 1.161) 3.751 7.111 ( 4.012 0.000 -1.877) 4.429 7.293 ( 3.951 0.000 7.255) 8.261 7.426 ( -3.789 0.000 -5.114) 6.365 7.573 ( 0.394 0.000 -0.213) 0.448 7.604 ( -0.066 0.000 -1.988) 1.989 7.667 ( 1.554 0.000 5.709) 5.917 7.774 ( -1.985 0.000 -5.200) 5.566 8.251 ( -1.481 0.000 2.332) 2.762 8.281 ( 3.256 0.000 -1.140) 3.450 8.588 ( -9.757 0.000 2.243) 10.011 8.617 ( 2.351 0.000 -0.444) 2.393 8.796 ( 0.940 0.000 0.593) 1.111 8.821 ( -0.101 0.000 -1.869) 1.872 8.916 ( -0.823 0.000 4.395) 4.471 9.007 ( 0.639 0.000 -4.629) 4.673 9.738 ( -0.679 0.000 0.145) 0.695 9.743 ( 0.540 0.000 -0.390) 0.666 9.932 ( -0.584 0.000 0.858) 1.038 9.949 ( 1.087 0.000 -0.882) 1.400 10.073 ( 0.745 0.000 0.886) 1.158 10.089 ( -0.824 0.000 -0.605) 1.022 10.161 ( -0.928 0.000 1.278) 1.579 10.186 ( 1.793 0.000 -1.142) 2.126 12.634 ( -0.073 0.000 0.576) 0.581 12.646 ( 0.073 0.000 -0.584) 0.588 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 10.633 0.000 1.881) 10.799 0.848 ( 2.653 0.000 2.043) 3.348 0.981 ( -2.503 0.000 1.426) 2.880 1.016 ( 5.022 0.000 7.198) 8.776 1.136 ( 6.635 0.000 -6.633) 9.382 1.202 ( -6.361 0.000 3.067) 7.062 1.397 ( 9.143 0.000 -7.049) 11.545 1.503 ( 0.424 0.000 -1.650) 1.704 1.665 ( 8.334 0.000 -8.833) 12.144 1.856 ( 16.455 0.000 -0.587) 16.466 1.882 ( -2.082 0.000 -2.370) 3.155 2.042 ( 7.376 0.000 9.032) 11.662 2.299 ( -4.950 0.000 2.993) 5.784 2.372 ( -0.761 0.000 6.393) 6.439 2.521 ( -1.658 0.000 -7.118) 7.308 2.532 ( 1.143 0.000 17.399) 17.436 2.637 ( 0.456 0.000 -1.144) 1.232 2.804 ( 5.075 0.000 -0.108) 5.076 2.809 ( -4.689 0.000 6.059) 7.661 3.025 ( 0.004 0.000 -2.440) 2.440 3.046 ( -6.760 0.000 0.504) 6.778 3.058 ( -1.419 0.000 -7.591) 7.722 3.136 ( 2.610 0.000 0.291) 2.626 3.221 ( -1.943 0.000 5.671) 5.994 3.263 ( 2.476 0.000 -5.942) 6.437 3.296 ( 1.424 0.000 -4.105) 4.345 3.333 ( -0.009 0.000 -4.694) 4.694 3.386 ( 2.494 0.000 0.126) 2.497 3.515 ( 2.876 0.000 0.111) 2.878 3.524 ( 4.722 0.000 0.046) 4.723 3.710 ( -3.756 0.000 -4.049) 5.522 3.769 ( -0.407 0.000 4.768) 4.785 3.794 ( -1.565 0.000 4.754) 5.005 3.889 ( 3.033 0.000 0.314) 3.049 4.086 ( -2.040 0.000 -2.112) 2.936 4.142 ( -1.418 0.000 -2.289) 2.693 4.281 ( 0.119 0.000 -0.711) 0.721 4.304 ( 1.263 0.000 3.127) 3.373 4.487 ( -10.922 0.000 0.879) 10.957 4.622 ( -3.497 0.000 5.774) 6.751 4.631 ( -3.371 0.000 -6.451) 7.279 4.769 ( -0.668 0.000 -3.315) 3.381 5.179 ( 0.107 0.000 2.345) 2.348 5.197 ( -0.300 0.000 -2.864) 2.879 5.351 ( -6.626 0.000 -3.311) 7.408 5.558 ( -0.065 0.000 0.240) 0.249 6.133 ( -1.760 0.000 0.651) 1.876 6.209 ( -1.301 0.000 -3.326) 3.571 6.384 ( -3.856 0.000 2.539) 4.616 6.406 ( -2.476 0.000 1.649) 2.975 6.499 ( -1.891 0.000 1.227) 2.254 6.553 ( -1.739 0.000 -0.963) 1.988 6.684 ( -1.481 0.000 1.160) 1.881 6.715 ( -1.036 0.000 0.187) 1.053 6.785 ( -1.586 0.000 -0.700) 1.733 6.791 ( 4.226 0.000 -4.610) 6.254 6.809 ( -0.846 0.000 0.806) 1.169 6.869 ( 1.573 0.000 -0.126) 1.578 7.078 ( 2.352 0.000 1.121) 2.605 7.200 ( 4.930 0.000 -3.761) 6.200 7.361 ( 0.758 0.000 -5.768) 5.818 7.417 ( 4.735 0.000 6.432) 7.987 7.587 ( -0.770 0.000 -1.578) 1.756 7.596 ( 1.617 0.000 0.990) 1.896 7.731 ( 0.470 0.000 -5.829) 5.848 7.740 ( 2.656 0.000 5.616) 6.212 8.203 ( -3.774 0.000 1.063) 3.921 8.321 ( 1.697 0.000 -3.066) 3.505 8.497 ( -3.121 0.000 8.640) 9.186 8.688 ( 3.704 0.000 4.027) 5.471 8.814 ( 0.659 0.000 0.491) 0.821 8.815 ( 0.680 0.000 -2.367) 2.462 8.913 ( -1.932 0.000 4.667) 5.051 8.985 ( -0.473 0.000 -4.423) 4.448 9.731 ( -0.121 0.000 0.433) 0.450 9.756 ( 0.813 0.000 -0.315) 0.872 9.900 ( -2.733 0.000 -0.228) 2.742 9.932 ( -1.671 0.000 -0.386) 1.715 10.071 ( -0.593 0.000 -0.608) 0.849 10.090 ( 0.388 0.000 0.926) 1.004 10.153 ( -0.422 0.000 1.024) 1.107 10.207 ( 0.895 0.000 -2.109) 2.291 12.638 ( 0.113 0.000 0.561) 0.572 12.646 ( 0.257 0.000 -0.563) 0.619 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -9.928 0.000 -1.663) 10.066 0.869 ( -1.181 0.000 -5.085) 5.221 1.015 ( 6.330 0.000 -3.171) 7.080 1.131 ( 5.213 0.000 2.044) 5.599 1.197 ( 5.070 0.000 -4.842) 7.010 1.348 ( 16.573 0.000 -2.942) 16.832 1.492 ( -1.563 0.000 -0.153) 1.571 1.498 ( 4.222 0.000 -2.577) 4.946 1.797 ( 4.835 0.000 -1.202) 4.982 1.986 ( 10.920 0.000 4.274) 11.726 2.044 ( 6.948 0.000 -8.177) 10.730 2.174 ( -8.531 0.000 4.953) 9.865 2.218 ( 4.338 0.000 9.362) 10.318 2.349 ( -4.375 0.000 5.462) 6.998 2.554 ( 8.040 0.000 -2.633) 8.460 2.594 ( 1.958 0.000 -4.071) 4.517 2.719 ( 0.109 0.000 2.543) 2.545 2.853 ( -0.023 0.000 -3.178) 3.178 2.854 ( 8.275 0.000 21.658) 23.185 2.930 ( -5.432 0.000 1.856) 5.740 2.975 ( -1.241 0.000 -7.990) 8.086 3.039 ( 3.079 0.000 -5.031) 5.898 3.172 ( 1.266 0.000 0.353) 1.315 3.234 ( -0.700 0.000 9.371) 9.397 3.265 ( -0.080 0.000 -0.168) 0.186 3.306 ( 1.621 0.000 -9.762) 9.896 3.335 ( 4.240 0.000 -4.964) 6.529 3.435 ( 0.968 0.000 2.332) 2.525 3.556 ( 2.655 0.000 -0.609) 2.724 3.604 ( 3.381 0.000 -0.603) 3.434 3.662 ( 0.708 0.000 -1.839) 1.970 3.749 ( -7.085 0.000 7.597) 10.389 3.784 ( 0.411 0.000 1.761) 1.808 3.954 ( 2.851 0.000 -0.708) 2.938 4.038 ( -1.998 0.000 -2.241) 3.002 4.077 ( -4.039 0.000 -1.548) 4.325 4.207 ( -12.802 0.000 2.146) 12.981 4.314 ( -1.230 0.000 -1.286) 1.780 4.317 ( -2.118 0.000 3.710) 4.272 4.517 ( -5.079 0.000 -6.010) 7.869 4.594 ( -2.699 0.000 5.277) 5.927 4.691 ( -4.293 0.000 -6.011) 7.387 5.160 ( -3.241 0.000 -0.671) 3.309 5.165 ( -1.276 0.000 -3.894) 4.098 5.272 ( 0.710 0.000 -1.568) 1.722 5.508 ( -4.693 0.000 0.998) 4.798 6.094 ( -1.949 0.000 -1.041) 2.209 6.140 ( -3.535 0.000 -1.012) 3.677 6.373 ( -1.602 0.000 1.950) 2.524 6.383 ( 1.488 0.000 1.612) 2.194 6.479 ( -0.531 0.000 -0.511) 0.737 6.524 ( -2.138 0.000 3.860) 4.412 6.664 ( -1.195 0.000 0.418) 1.266 6.693 ( -0.952 0.000 -1.252) 1.572 6.742 ( -1.829 0.000 -1.793) 2.561 6.807 ( -0.188 0.000 2.763) 2.769 6.825 ( 1.514 0.000 -5.302) 5.514 6.883 ( 0.264 0.000 -0.178) 0.318 7.145 ( 3.620 0.000 0.347) 3.637 7.228 ( 1.972 0.000 -5.998) 6.314 7.403 ( 4.507 0.000 -3.848) 5.926 7.505 ( 1.007 0.000 3.946) 4.072 7.564 ( -0.733 0.000 1.031) 1.265 7.639 ( 2.315 0.000 2.376) 3.317 7.732 ( 2.719 0.000 -7.518) 7.995 7.800 ( 0.768 0.000 4.358) 4.425 8.147 ( -2.879 0.000 2.647) 3.911 8.310 ( -0.405 0.000 -6.001) 6.015 8.526 ( 0.864 0.000 9.382) 9.421 8.757 ( 0.887 0.000 3.736) 3.840 8.825 ( 0.105 0.000 0.775) 0.782 8.830 ( 1.891 0.000 -1.479) 2.401 8.892 ( -2.512 0.000 4.565) 5.210 8.953 ( -0.523 0.000 -3.750) 3.787 9.735 ( 0.116 0.000 0.513) 0.526 9.765 ( 0.380 0.000 -0.567) 0.682 9.850 ( -1.606 0.000 -0.744) 1.769 9.899 ( -1.632 0.000 -0.005) 1.632 10.063 ( 0.080 0.000 -0.393) 0.401 10.094 ( -0.346 0.000 0.701) 0.782 10.152 ( -0.375 0.000 1.289) 1.342 10.201 ( -0.203 0.000 -2.101) 2.111 12.643 ( 0.113 0.000 0.501) 0.514 12.649 ( 0.346 0.000 -0.497) 0.605 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -1.776 0.000 -0.380) 1.816 0.783 ( -3.863 0.000 -7.845) 8.745 1.111 ( 4.766 0.000 -1.473) 4.988 1.173 ( -2.552 0.000 1.754) 3.097 1.282 ( 6.640 0.000 -3.874) 7.688 1.421 ( -5.923 0.000 -0.903) 5.992 1.571 ( 3.862 0.000 -4.060) 5.603 1.581 ( 7.224 0.000 -7.199) 10.199 1.871 ( 2.623 0.000 5.048) 5.689 2.070 ( 0.431 0.000 -6.992) 7.005 2.088 ( -2.363 0.000 12.176) 12.404 2.144 ( 2.723 0.000 8.726) 9.141 2.286 ( -4.196 0.000 2.285) 4.777 2.300 ( 1.724 0.000 1.705) 2.425 2.595 ( -0.267 0.000 -3.046) 3.058 2.698 ( 1.434 0.000 -3.393) 3.683 2.753 ( 2.334 0.000 6.457) 6.866 2.867 ( -1.655 0.000 2.483) 2.984 2.879 ( 10.898 0.000 -5.034) 12.005 2.909 ( -3.604 0.000 -1.589) 3.938 3.072 ( 2.719 0.000 -8.747) 9.160 3.078 ( 1.288 0.000 8.165) 8.266 3.181 ( -0.540 0.000 0.540) 0.764 3.245 ( -1.922 0.000 -1.119) 2.224 3.275 ( -3.653 0.000 10.399) 11.022 3.327 ( 4.861 0.000 -2.769) 5.594 3.405 ( 6.104 0.000 -7.560) 9.717 3.415 ( -3.529 0.000 3.799) 5.185 3.592 ( -6.496 0.000 10.536) 12.378 3.641 ( 2.389 0.000 3.445) 4.192 3.655 ( 3.272 0.000 -1.223) 3.494 3.729 ( 5.681 0.000 -1.028) 5.773 3.825 ( 2.545 0.000 -1.502) 2.955 3.934 ( -1.717 0.000 -8.036) 8.217 3.947 ( -7.535 0.000 1.309) 7.648 4.003 ( -3.310 0.000 -0.246) 3.319 4.085 ( 2.927 0.000 3.080) 4.249 4.253 ( -6.721 0.000 3.509) 7.582 4.318 ( 1.397 0.000 -1.317) 1.920 4.387 ( -5.388 0.000 -5.824) 7.934 4.564 ( -2.970 0.000 3.513) 4.600 4.619 ( 1.419 0.000 -6.302) 6.460 5.097 ( -2.210 0.000 -1.286) 2.557 5.120 ( -1.213 0.000 -3.637) 3.834 5.321 ( 3.873 0.000 0.556) 3.913 5.418 ( -4.795 0.000 0.117) 4.796 6.065 ( -0.473 0.000 -0.730) 0.870 6.083 ( -2.171 0.000 -0.512) 2.230 6.368 ( -0.367 0.000 3.101) 3.123 6.423 ( 1.533 0.000 -0.459) 1.601 6.477 ( 0.821 0.000 0.483) 0.953 6.504 ( -2.218 0.000 4.123) 4.682 6.646 ( -0.731 0.000 0.032) 0.732 6.676 ( 0.354 0.000 -2.662) 2.685 6.713 ( -0.272 0.000 -0.349) 0.443 6.790 ( -2.228 0.000 -3.772) 4.381 6.825 ( 0.294 0.000 3.266) 3.279 6.892 ( 0.866 0.000 -1.475) 1.710 7.199 ( 1.868 0.000 -0.607) 1.964 7.239 ( 1.843 0.000 -5.573) 5.870 7.454 ( 2.458 0.000 -2.019) 3.181 7.481 ( -3.083 0.000 0.663) 3.153 7.587 ( 0.189 0.000 5.109) 5.113 7.714 ( 3.808 0.000 2.382) 4.491 7.744 ( 2.912 0.000 -8.196) 8.698 7.803 ( -2.138 0.000 2.064) 2.972 8.123 ( -1.588 0.000 4.363) 4.643 8.260 ( -1.162 0.000 -6.781) 6.880 8.608 ( 2.923 0.000 8.881) 9.350 8.759 ( -1.585 0.000 0.468) 1.652 8.823 ( -1.042 0.000 1.753) 2.040 8.855 ( 1.421 0.000 -1.707) 2.221 8.872 ( -1.571 0.000 3.722) 4.040 8.935 ( 0.541 0.000 -3.293) 3.337 9.738 ( 0.090 0.000 0.453) 0.462 9.763 ( -0.240 0.000 -0.930) 0.960 9.843 ( 0.633 0.000 0.331) 0.715 9.872 ( -1.233 0.000 -0.123) 1.239 10.071 ( 0.792 0.000 -0.174) 0.811 10.084 ( -0.893 0.000 0.325) 0.950 10.150 ( -0.501 0.000 1.457) 1.541 10.187 ( -0.082 0.000 -1.872) 1.874 12.646 ( -0.062 0.000 0.445) 0.449 12.653 ( 0.267 0.000 -0.440) 0.514 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -3.632 0.000 -6.396) 7.355 0.674 ( 5.497 0.000 2.736) 6.140 1.086 ( -6.818 0.000 1.190) 6.921 1.166 ( -0.147 0.000 1.847) 1.853 1.282 ( -6.300 0.000 -2.474) 6.768 1.373 ( 1.164 0.000 3.262) 3.464 1.536 ( -4.829 0.000 -2.643) 5.505 1.539 ( -6.199 0.000 -1.957) 6.501 1.937 ( 0.315 0.000 6.329) 6.336 1.995 ( -4.184 0.000 -7.351) 8.458 2.192 ( 3.115 0.000 7.351) 7.984 2.228 ( -0.402 0.000 -2.221) 2.257 2.247 ( 4.289 0.000 7.145) 8.333 2.329 ( 2.835 0.000 -3.322) 4.367 2.578 ( -2.053 0.000 8.174) 8.428 2.636 ( -2.919 0.000 -6.623) 7.238 2.763 ( -15.524 0.000 5.659) 16.523 2.814 ( -5.992 0.000 -0.278) 5.998 2.871 ( -1.964 0.000 4.458) 4.871 2.918 ( -2.806 0.000 3.465) 4.458 2.970 ( 0.745 0.000 -6.947) 6.987 3.163 ( 5.845 0.000 0.695) 5.886 3.172 ( -6.627 0.000 7.522) 10.025 3.203 ( 1.017 0.000 -4.773) 4.880 3.238 ( 2.752 0.000 0.611) 2.819 3.383 ( -2.515 0.000 0.506) 2.565 3.417 ( 3.635 0.000 1.594) 3.969 3.474 ( 4.455 0.000 -8.056) 9.206 3.563 ( -2.260 0.000 7.429) 7.765 3.671 ( -3.795 0.000 -2.006) 4.293 3.715 ( -5.723 0.000 0.717) 5.768 3.779 ( -0.501 0.000 2.008) 2.070 3.796 ( 5.087 0.000 5.289) 7.339 3.880 ( 3.025 0.000 -11.972) 12.348 3.996 ( 7.188 0.000 0.474) 7.203 4.026 ( 5.814 0.000 -7.343) 9.366 4.116 ( -3.096 0.000 0.490) 3.135 4.243 ( 9.897 0.000 5.239) 11.198 4.311 ( -0.836 0.000 -1.826) 2.008 4.348 ( 2.038 0.000 -1.034) 2.285 4.523 ( -2.005 0.000 2.176) 2.959 4.659 ( 4.551 0.000 -5.519) 7.153 5.072 ( -0.367 0.000 1.021) 1.085 5.095 ( 0.159 0.000 -1.475) 1.483 5.335 ( -3.909 0.000 -0.811) 3.993 5.409 ( 4.997 0.000 1.004) 5.097 6.055 ( -0.638 0.000 0.186) 0.664 6.072 ( 1.300 0.000 0.418) 1.366 6.382 ( 0.097 0.000 3.221) 3.223 6.420 ( -0.482 0.000 -1.978) 2.035 6.480 ( -1.636 0.000 1.336) 2.112 6.522 ( 2.474 0.000 1.860) 3.095 6.643 ( 0.572 0.000 0.364) 0.678 6.682 ( 1.769 0.000 -3.250) 3.700 6.729 ( 1.041 0.000 1.872) 2.141 6.734 ( -1.537 0.000 -2.503) 2.937 6.845 ( 0.245 0.000 2.869) 2.879 6.892 ( 0.132 0.000 -2.777) 2.781 7.199 ( -1.489 0.000 -0.492) 1.568 7.227 ( -0.593 0.000 -4.634) 4.672 7.423 ( -3.661 0.000 1.281) 3.879 7.486 ( 1.719 0.000 -0.175) 1.728 7.604 ( -1.084 0.000 5.452) 5.559 7.718 ( 0.151 0.000 -7.644) 7.645 7.749 ( -3.555 0.000 -0.518) 3.593 7.825 ( 5.008 0.000 -0.281) 5.016 8.127 ( -0.702 0.000 6.581) 6.618 8.214 ( -0.380 0.000 -5.208) 5.222 8.707 ( 2.956 0.000 6.579) 7.213 8.711 ( -2.788 0.000 -2.029) 3.448 8.812 ( -0.648 0.000 2.542) 2.623 8.862 ( 0.234 0.000 -2.053) 2.066 8.872 ( -0.367 0.000 3.093) 3.115 8.946 ( 2.425 0.000 -3.674) 4.402 9.746 ( 0.332 0.000 0.819) 0.884 9.751 ( -0.433 0.000 -0.942) 1.036 9.849 ( -1.064 0.000 -0.302) 1.106 9.865 ( 1.280 0.000 0.573) 1.402 10.068 ( -0.847 0.000 0.102) 0.853 10.088 ( 1.019 0.000 -0.068) 1.021 10.151 ( -0.183 0.000 1.716) 1.726 10.182 ( 0.450 0.000 -1.747) 1.804 12.644 ( -0.291 0.000 0.430) 0.519 12.654 ( 0.088 0.000 -0.428) 0.437 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 4.657 0.000 6.689) 8.151 0.796 ( 4.623 0.000 1.185) 4.773 0.958 ( -6.386 0.000 3.553) 7.308 1.066 ( -9.484 0.000 2.028) 9.698 1.222 ( -1.165 0.000 -2.860) 3.088 1.227 ( -16.767 0.000 7.393) 18.325 1.435 ( -3.515 0.000 3.668) 5.080 1.516 ( 2.471 0.000 -2.247) 3.340 1.823 ( -13.307 0.000 -2.988) 13.638 1.908 ( -6.546 0.000 5.505) 8.553 2.095 ( -12.953 0.000 -4.991) 13.881 2.244 ( 2.376 0.000 -2.186) 3.229 2.365 ( 4.227 0.000 0.682) 4.281 2.391 ( 2.736 0.000 1.653) 3.197 2.444 ( -10.580 0.000 10.327) 14.785 2.537 ( -4.092 0.000 -4.729) 6.253 2.660 ( 2.464 0.000 11.620) 11.878 2.726 ( -1.921 0.000 1.600) 2.500 2.835 ( -5.190 0.000 5.514) 7.573 2.970 ( 2.631 0.000 -3.218) 4.156 2.975 ( 2.522 0.000 2.028) 3.237 3.125 ( -0.925 0.000 6.009) 6.080 3.141 ( -2.417 0.000 -3.908) 4.595 3.254 ( 1.712 0.000 -7.537) 7.729 3.264 ( -0.907 0.000 -0.195) 0.928 3.344 ( -0.449 0.000 -1.900) 1.953 3.425 ( -4.524 0.000 -7.870) 9.077 3.471 ( 1.898 0.000 -1.641) 2.509 3.549 ( -6.084 0.000 -2.709) 6.660 3.561 ( -1.144 0.000 4.067) 4.225 3.628 ( -2.775 0.000 1.277) 3.054 3.773 ( 1.625 0.000 1.288) 2.073 3.892 ( 0.791 0.000 4.400) 4.471 3.927 ( 3.020 0.000 -8.932) 9.429 3.998 ( 1.053 0.000 1.456) 1.797 4.101 ( 3.878 0.000 -2.553) 4.643 4.249 ( 4.265 0.000 -0.231) 4.272 4.351 ( 10.564 0.000 -6.236) 12.268 4.365 ( 0.183 0.000 0.023) 0.184 4.436 ( 6.971 0.000 2.506) 7.407 4.568 ( 5.438 0.000 4.598) 7.122 4.709 ( 3.707 0.000 -6.314) 7.322 5.091 ( 1.016 0.000 3.311) 3.464 5.124 ( 3.234 0.000 2.112) 3.863 5.268 ( -2.639 0.000 -0.730) 2.738 5.505 ( 4.132 0.000 1.174) 4.296 6.066 ( 1.492 0.000 1.580) 2.173 6.110 ( 1.927 0.000 1.622) 2.519 6.400 ( 0.525 0.000 1.137) 1.253 6.406 ( 0.213 0.000 -1.366) 1.383 6.470 ( 0.928 0.000 -0.321) 0.982 6.557 ( 0.019 0.000 0.975) 0.975 6.673 ( 2.050 0.000 0.853) 2.220 6.709 ( 1.872 0.000 0.199) 1.883 6.720 ( 1.719 0.000 -4.055) 4.404 6.747 ( -0.476 0.000 2.131) 2.183 6.865 ( 0.547 0.000 1.733) 1.818 6.873 ( -0.257 0.000 -3.720) 3.729 7.159 ( -2.193 0.000 1.582) 2.704 7.176 ( -2.464 0.000 -3.808) 4.535 7.346 ( -5.640 0.000 1.991) 5.982 7.512 ( 0.542 0.000 1.304) 1.413 7.604 ( -1.537 0.000 5.177) 5.400 7.668 ( -1.503 0.000 -7.634) 7.780 7.684 ( -2.490 0.000 -1.532) 2.924 7.878 ( 1.141 0.000 -3.524) 3.704 8.168 ( 1.098 0.000 8.387) 8.459 8.200 ( 1.232 0.000 -3.220) 3.447 8.648 ( -2.159 0.000 -3.359) 3.993 8.758 ( 0.407 0.000 2.640) 2.671 8.834 ( 0.922 0.000 0.278) 0.963 8.850 ( -0.361 0.000 -1.749) 1.786 8.885 ( 0.056 0.000 3.377) 3.377 8.979 ( 2.813 0.000 -4.140) 5.005 9.743 ( 0.017 0.000 -0.392) 0.392 9.753 ( -0.008 0.000 0.683) 0.683 9.836 ( 0.112 0.000 0.592) 0.602 9.893 ( 1.413 0.000 0.517) 1.505 10.058 ( -0.288 0.000 0.209) 0.356 10.103 ( 0.492 0.000 -0.156) 0.516 10.160 ( 0.049 0.000 1.986) 1.986 10.182 ( 0.340 0.000 -1.799) 1.830 12.640 ( -0.405 0.000 0.466) 0.617 12.652 ( -0.052 0.000 -0.471) 0.474 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -4.497 0.000 2.248) 5.028 0.868 ( -11.005 0.000 10.985) 15.549 0.916 ( 12.741 0.000 6.446) 14.279 0.958 ( -13.253 0.000 9.373) 16.233 0.986 ( 5.517 0.000 1.269) 5.661 1.173 ( -3.019 0.000 0.034) 3.020 1.437 ( -6.791 0.000 13.422) 15.043 1.474 ( -10.230 0.000 -7.776) 12.850 1.537 ( 1.013 0.000 -3.744) 3.879 1.766 ( -10.344 0.000 4.423) 11.250 1.910 ( -3.332 0.000 -3.414) 4.770 2.200 ( -6.697 0.000 -3.828) 7.714 2.368 ( -0.525 0.000 -5.305) 5.331 2.374 ( -3.770 0.000 6.773) 7.751 2.434 ( 1.386 0.000 1.728) 2.215 2.548 ( 5.312 0.000 3.501) 6.362 2.717 ( -4.864 0.000 13.857) 14.686 2.737 ( 0.116 0.000 -1.844) 1.847 2.812 ( 1.742 0.000 4.973) 5.269 3.016 ( 0.895 0.000 1.475) 1.725 3.030 ( -1.292 0.000 -6.505) 6.632 3.045 ( 3.273 0.000 -2.330) 4.018 3.162 ( 2.215 0.000 1.193) 2.516 3.211 ( -0.394 0.000 -9.194) 9.202 3.237 ( -1.773 0.000 3.833) 4.223 3.333 ( -1.995 0.000 -2.651) 3.318 3.341 ( 0.888 0.000 -2.572) 2.721 3.424 ( -3.061 0.000 -6.502) 7.186 3.501 ( -0.094 0.000 0.400) 0.411 3.528 ( -4.321 0.000 0.594) 4.361 3.632 ( 1.811 0.000 3.655) 4.080 3.813 ( 1.607 0.000 0.431) 1.664 3.870 ( -3.434 0.000 2.123) 4.038 3.917 ( -0.808 0.000 -7.558) 7.601 4.052 ( 3.844 0.000 1.649) 4.182 4.138 ( 1.743 0.000 -2.243) 2.841 4.264 ( -0.425 0.000 0.796) 0.902 4.351 ( -1.833 0.000 -1.370) 2.289 4.535 ( 2.831 0.000 3.080) 4.183 4.560 ( 11.740 0.000 -5.656) 13.032 4.691 ( 3.117 0.000 4.365) 5.364 4.735 ( 2.366 0.000 -6.218) 6.653 5.130 ( 0.989 0.000 3.864) 3.988 5.212 ( 0.826 0.000 -0.948) 1.257 5.278 ( 7.712 0.000 4.399) 8.879 5.551 ( -0.482 0.000 1.034) 1.141 6.125 ( 3.664 0.000 1.617) 4.005 6.146 ( 0.405 0.000 2.863) 2.891 6.417 ( 1.208 0.000 -0.498) 1.307 6.428 ( 2.849 0.000 -0.312) 2.866 6.521 ( 4.499 0.000 -1.330) 4.692 6.539 ( -1.806 0.000 0.475) 1.867 6.716 ( 1.587 0.000 1.068) 1.913 6.720 ( 0.266 0.000 -0.797) 0.840 6.736 ( -0.767 0.000 0.126) 0.777 6.770 ( 3.667 0.000 -1.038) 3.811 6.845 ( -1.588 0.000 -2.991) 3.387 6.866 ( -1.060 0.000 0.415) 1.139 7.109 ( -2.252 0.000 -2.479) 3.349 7.145 ( -1.693 0.000 2.446) 2.975 7.250 ( -4.292 0.000 4.709) 6.371 7.507 ( -2.209 0.000 0.223) 2.220 7.597 ( -1.766 0.000 -5.642) 5.912 7.604 ( -0.461 0.000 3.063) 3.098 7.647 ( -1.010 0.000 0.391) 1.083 7.842 ( -2.130 0.000 -4.788) 5.240 8.228 ( 2.837 0.000 -1.689) 3.301 8.231 ( 1.088 0.000 6.252) 6.346 8.608 ( -0.284 0.000 -2.997) 3.010 8.773 ( -2.573 0.000 0.611) 2.645 8.779 ( -3.434 0.000 -4.119) 5.363 8.834 ( -0.388 0.000 -1.594) 1.641 8.903 ( -0.048 0.000 3.808) 3.808 9.004 ( 1.984 0.000 -4.469) 4.889 9.741 ( -0.006 0.000 -0.568) 0.568 9.750 ( -0.590 0.000 0.268) 0.648 9.884 ( 4.228 0.000 1.669) 4.545 9.920 ( 1.062 0.000 0.724) 1.285 10.060 ( 0.290 0.000 0.528) 0.603 10.103 ( -0.345 0.000 -0.370) 0.506 10.167 ( -0.417 0.000 1.887) 1.933 10.175 ( -0.022 0.000 -1.311) 1.311 12.635 ( -0.312 0.000 0.530) 0.615 12.649 ( -0.060 0.000 -0.540) 0.543 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 2.186 1.511 2.391) 3.575 0.718 ( 0.627 -2.339 -1.080) 2.652 0.988 ( -0.060 0.970 6.639) 6.709 1.032 ( -7.544 -1.771 3.636) 8.560 1.150 ( -1.173 8.912 8.358) 12.274 1.265 ( 7.378 11.837 0.146) 13.949 1.482 ( -0.826 2.889 -0.665) 3.077 1.571 ( 3.908 3.226 -4.322) 6.660 1.613 ( -4.141 8.517 1.390) 9.572 1.666 ( 5.830 7.564 -2.657) 9.912 1.927 ( 3.905 3.735 4.494) 7.028 2.057 ( -5.811 4.462 -6.358) 9.701 2.269 ( -0.575 -3.582 5.999) 7.010 2.348 ( -3.211 -2.203 -0.964) 4.012 2.532 ( 2.071 4.672 6.505) 8.273 2.635 ( -5.056 -1.019 1.111) 5.276 2.675 ( 3.182 0.877 3.127) 4.547 2.754 ( -2.934 6.630 -2.711) 7.740 2.836 ( -1.275 -1.752 7.818) 8.113 2.972 ( 2.456 -2.616 1.068) 3.744 3.004 ( 2.288 -3.675 -1.014) 4.446 3.102 ( -0.626 -1.356 -2.570) 2.972 3.139 ( 3.037 -3.932 -2.561) 5.590 3.178 ( -2.146 -0.410 -0.507) 2.243 3.262 ( -1.495 1.066 1.112) 2.147 3.302 ( 0.731 -0.397 -3.262) 3.366 3.338 ( -0.604 -2.209 -3.250) 3.976 3.390 ( 1.607 0.815 -4.975) 5.291 3.469 ( 2.283 2.302 3.332) 4.649 3.520 ( -2.315 3.585 -2.117) 4.764 3.686 ( 3.773 -1.801 5.266) 6.724 3.777 ( -3.328 -2.976 -2.470) 5.102 3.847 ( -2.994 1.158 0.159) 3.214 3.866 ( 0.175 1.878 -0.929) 2.102 4.113 ( -1.680 -1.484 0.329) 2.265 4.152 ( 4.280 1.413 -3.279) 5.574 4.263 ( -0.227 -0.711 0.989) 1.239 4.288 ( -1.220 -1.173 -1.027) 1.980 4.509 ( 0.612 -6.742 5.393) 8.655 4.590 ( -3.007 -5.206 -1.601) 6.221 4.704 ( 0.901 -4.982 -1.525) 5.288 4.743 ( 1.686 0.631 -4.876) 5.198 5.162 ( 0.612 0.325 2.748) 2.834 5.206 ( 0.026 -0.114 -1.598) 1.603 5.410 ( 5.065 -4.663 1.988) 7.166 5.434 ( -3.496 -4.707 -0.683) 5.903 6.182 ( -1.383 2.157 3.360) 4.226 6.239 ( 3.162 2.492 -2.334) 4.654 6.362 ( -1.336 -5.482 0.029) 5.643 6.366 ( -0.396 -5.266 -0.343) 5.292 6.497 ( 0.524 -2.551 2.660) 3.723 6.547 ( -0.230 -2.911 -2.281) 3.706 6.665 ( -0.459 -2.655 0.554) 2.751 6.682 ( 0.787 -3.971 -1.090) 4.192 6.744 ( 0.653 -0.509 0.212) 0.855 6.759 ( -1.340 0.473 -1.298) 1.925 6.906 ( -0.577 4.665 3.506) 5.864 7.000 ( 2.680 5.991 -6.076) 8.944 7.088 ( -2.424 2.237 0.666) 3.365 7.121 ( 1.577 2.032 -2.211) 3.392 7.298 ( 4.206 0.361 7.536) 8.637 7.435 ( -3.748 0.349 -5.071) 6.315 7.600 ( -0.303 2.563 -0.296) 2.598 7.631 ( 0.260 2.662 -2.158) 3.437 7.705 ( 0.977 3.506 4.896) 6.101 7.796 ( -1.079 1.820 -4.274) 4.769 8.250 ( -1.471 -0.025 2.256) 2.694 8.280 ( 2.983 -0.040 -1.160) 3.201 8.517 ( -5.108 -4.558 5.820) 8.986 8.616 ( 0.026 -2.284 -4.493) 5.041 8.811 ( 0.689 1.846 2.018) 2.820 8.858 ( -0.786 2.565 -2.551) 3.702 8.926 ( -0.852 1.093 3.656) 3.910 9.010 ( 0.574 0.331 -4.464) 4.513 9.744 ( -0.716 0.694 0.086) 1.001 9.749 ( 0.603 0.556 -0.304) 0.875 9.913 ( -0.631 -1.769 0.436) 1.929 9.917 ( 1.206 -2.770 0.228) 3.029 10.066 ( 0.194 -0.270 1.124) 1.172 10.088 ( -0.435 -0.312 -1.132) 1.253 10.176 ( -0.482 1.304 1.196) 1.834 10.197 ( 1.144 0.934 -0.915) 1.738 12.633 ( -0.063 -0.079 0.521) 0.530 12.644 ( 0.065 -0.194 -0.528) 0.566 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.766 -5.475 -1.275) 7.370 0.845 ( 10.718 3.694 -2.356) 11.579 0.940 ( -3.023 -1.519 4.160) 5.362 1.014 ( -1.055 -0.152 3.832) 3.977 1.153 ( 0.066 4.520 3.607) 5.783 1.343 ( -3.822 6.942 -2.999) 8.473 1.469 ( 8.513 8.621 0.080) 12.116 1.556 ( 1.381 3.636 -3.247) 5.067 1.720 ( 8.703 2.801 -3.948) 9.959 1.805 ( 5.500 -1.268 -2.918) 6.354 1.969 ( 2.296 7.807 -5.260) 9.690 2.086 ( 8.112 4.232 6.872) 11.443 2.285 ( -3.537 -1.090 1.762) 4.099 2.335 ( 1.519 -1.480 8.153) 8.425 2.536 ( -1.583 2.207 -1.821) 3.270 2.610 ( 1.192 3.617 8.533) 9.345 2.694 ( -0.695 5.412 -3.112) 6.282 2.742 ( 1.313 -0.672 6.293) 6.464 2.826 ( -2.159 -2.006 3.828) 4.831 2.982 ( -2.726 -3.250 0.393) 4.260 3.021 ( -0.730 -1.955 1.864) 2.798 3.087 ( -4.206 1.044 -7.604) 8.752 3.137 ( 6.896 -0.666 -4.276) 8.142 3.173 ( -0.711 -3.582 1.304) 3.878 3.230 ( -1.476 -0.778 0.446) 1.727 3.305 ( 0.325 -0.200 1.812) 1.852 3.322 ( 1.066 -1.192 -6.422) 6.618 3.396 ( 1.392 -0.188 -2.496) 2.864 3.481 ( 1.053 -0.917 -0.651) 1.540 3.584 ( 4.780 4.086 1.561) 6.479 3.685 ( -2.878 -1.911 -3.350) 4.812 3.780 ( 1.622 -0.789 4.290) 4.654 3.801 ( -1.936 2.503 3.057) 4.399 3.889 ( 1.468 -0.293 1.089) 1.851 4.051 ( -3.636 -2.702 -0.409) 4.549 4.172 ( -0.498 2.001 -5.165) 5.562 4.260 ( -0.154 -1.620 1.164) 2.001 4.296 ( 0.583 -1.182 1.107) 1.721 4.455 ( -8.730 -2.941 0.051) 9.212 4.550 ( -0.598 -5.272 5.436) 7.596 4.656 ( -3.528 -1.101 -4.211) 5.603 4.738 ( -0.809 -2.391 -3.692) 4.472 5.183 ( 0.152 0.402 1.841) 1.890 5.192 ( -0.498 -0.290 -2.621) 2.684 5.339 ( -4.036 -0.918 -2.274) 4.722 5.482 ( 0.730 -6.126 0.786) 6.219 6.153 ( -2.733 1.462 1.531) 3.457 6.229 ( -3.028 0.499 -2.520) 3.971 6.343 ( -0.684 -2.623 1.331) 3.020 6.347 ( -1.181 -4.155 1.021) 4.438 6.489 ( -1.796 -1.844 0.128) 2.577 6.538 ( 0.852 -1.488 -0.986) 1.978 6.660 ( -0.424 -1.587 1.024) 1.936 6.684 ( -0.013 -2.478 -0.641) 2.560 6.732 ( 0.644 0.453 -0.845) 1.154 6.781 ( 0.336 -1.942 0.342) 2.000 6.895 ( -0.539 2.070 1.326) 2.517 6.983 ( -1.909 9.911 -5.294) 11.397 7.084 ( 2.335 0.399 2.021) 3.114 7.197 ( 5.295 -0.294 -3.396) 6.297 7.354 ( -0.861 -0.518 -6.244) 6.324 7.421 ( 4.477 0.100 6.563) 7.945 7.578 ( -1.391 0.564 -0.164) 1.510 7.646 ( 1.201 3.374 -0.202) 3.587 7.739 ( 0.225 0.777 1.508) 1.711 7.785 ( 1.914 3.866 -1.887) 4.709 8.202 ( -3.931 -0.011 1.229) 4.119 8.315 ( 1.450 -0.564 -2.723) 3.136 8.459 ( -3.399 -3.457 8.234) 9.555 8.649 ( 2.923 -3.836 0.796) 4.888 8.830 ( 0.240 2.329 0.484) 2.391 8.843 ( 0.519 1.594 -0.753) 1.838 8.920 ( -1.825 0.813 4.426) 4.856 8.988 ( -0.536 0.330 -4.210) 4.257 9.737 ( -0.167 0.569 0.339) 0.683 9.762 ( 0.845 0.682 -0.248) 1.114 9.879 ( -2.475 -1.932 -0.459) 3.173 9.917 ( -0.985 -1.464 -0.012) 1.764 10.068 ( -0.403 -0.205 0.256) 0.519 10.084 ( 0.270 -0.376 0.092) 0.472 10.172 ( -0.323 1.540 0.784) 1.758 10.212 ( 0.704 0.443 -1.584) 1.789 12.636 ( 0.120 -0.126 0.365) 0.404 12.647 ( 0.408 0.007 -0.370) 0.551 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -4.667 1.920 -0.474) 5.069 0.896 ( -1.711 1.512 -2.465) 3.360 1.000 ( 3.702 -0.399 -1.675) 4.083 1.040 ( 7.310 -6.256 -1.696) 9.770 1.208 ( 4.056 2.441 -1.733) 5.041 1.397 ( 7.689 2.961 -1.712) 8.416 1.510 ( 5.340 7.519 -5.591) 10.785 1.674 ( 4.556 8.099 2.004) 9.506 1.799 ( 1.314 -0.036 0.020) 1.314 1.922 ( 8.136 -3.529 3.690) 9.605 2.024 ( 3.952 -0.647 -6.283) 7.451 2.183 ( -6.036 0.743 4.057) 7.310 2.245 ( 0.961 0.491 9.106) 9.170 2.361 ( -1.276 2.404 3.369) 4.331 2.581 ( 3.594 1.906 -2.150) 4.601 2.619 ( 2.937 0.473 -4.519) 5.410 2.707 ( 0.915 1.293 -0.085) 1.586 2.806 ( -1.024 -3.606 4.191) 5.623 2.834 ( -0.230 -4.614 7.076) 8.450 2.921 ( -0.346 -0.990 -0.758) 1.294 2.987 ( -0.879 -0.774 -5.966) 6.080 3.069 ( 3.039 4.309 6.380) 8.277 3.142 ( -2.125 -3.284 0.796) 3.992 3.220 ( 3.590 0.149 -0.124) 3.595 3.240 ( 1.766 -0.569 1.333) 2.284 3.307 ( 0.467 -0.719 -6.120) 6.179 3.339 ( 3.151 -0.071 -2.199) 3.843 3.430 ( 2.274 -0.736 1.659) 2.909 3.518 ( 3.118 -1.051 -0.974) 3.431 3.645 ( 0.420 1.073 0.689) 1.342 3.648 ( 1.468 -0.390 -1.829) 2.378 3.778 ( -2.335 0.931 4.343) 5.018 3.801 ( -0.781 2.039 2.258) 3.141 3.908 ( -0.906 -2.523 -0.685) 2.767 4.013 ( -0.354 -1.814 1.161) 2.183 4.098 ( -4.445 1.130 -4.134) 6.174 4.216 ( -8.733 0.950 1.908) 8.989 4.268 ( -2.272 -2.536 1.934) 3.915 4.332 ( -1.743 -0.032 0.203) 1.755 4.543 ( -3.790 1.038 -4.210) 5.760 4.570 ( -2.317 -1.911 4.053) 5.044 4.677 ( -2.565 -1.090 -5.146) 5.852 5.151 ( -1.735 0.173 -2.930) 3.410 5.183 ( -1.065 1.284 -0.648) 1.790 5.293 ( 0.493 1.511 -1.487) 2.177 5.460 ( -2.918 -4.197 0.577) 5.144 6.105 ( -2.466 0.871 -0.205) 2.623 6.145 ( -3.964 0.103 -1.134) 4.125 6.324 ( -1.135 -4.161 2.562) 5.017 6.368 ( 1.455 -0.834 1.622) 2.333 6.460 ( -0.875 -2.601 -1.384) 3.073 6.554 ( 0.637 1.788 -0.144) 1.904 6.648 ( -1.509 -0.000 1.642) 2.230 6.672 ( -0.995 -0.808 -0.658) 1.440 6.759 ( 0.966 0.403 -1.019) 1.460 6.776 ( 1.443 -1.230 -0.357) 1.929 6.893 ( -1.199 2.096 -0.399) 2.448 6.923 ( -1.765 5.762 -2.033) 6.360 7.147 ( 2.929 0.071 1.292) 3.202 7.234 ( 1.870 0.638 -5.938) 6.258 7.370 ( 4.117 -2.828 -3.668) 6.197 7.500 ( 0.247 -0.939 2.505) 2.687 7.564 ( 0.527 0.323 2.631) 2.703 7.670 ( 1.107 2.632 1.676) 3.311 7.746 ( 1.339 0.337 -2.986) 3.290 7.813 ( 0.607 2.124 0.212) 2.220 8.141 ( -3.300 -0.507 3.001) 4.490 8.302 ( -0.509 -0.661 -5.661) 5.722 8.473 ( 0.183 -5.030 8.768) 10.110 8.696 ( 0.888 -5.544 1.858) 5.914 8.833 ( 0.798 1.676 -1.464) 2.364 8.853 ( -0.290 0.870 1.259) 1.557 8.905 ( -1.981 1.046 4.300) 4.849 8.957 ( -0.566 0.347 -3.459) 3.522 9.739 ( 0.090 0.446 0.420) 0.619 9.773 ( 0.370 0.730 -0.527) 0.973 9.838 ( -1.157 -1.162 -0.453) 1.701 9.894 ( -1.332 -0.580 0.017) 1.453 10.063 ( -0.061 0.014 0.033) 0.071 10.087 ( -0.139 -0.524 0.262) 0.602 10.171 ( -0.308 1.572 0.935) 1.854 10.207 ( -0.150 0.614 -1.660) 1.776 12.642 ( 0.311 -0.012 0.254) 0.402 12.653 ( 0.343 0.236 -0.253) 0.487 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -1.442 6.714 0.674) 6.900 0.829 ( -2.726 4.230 -6.352) 8.104 1.077 ( 2.892 -3.110 1.641) 4.553 1.127 ( 1.601 -4.278 -0.541) 4.600 1.269 ( 4.658 0.644 -3.304) 5.747 1.425 ( -2.271 2.117 -5.914) 6.679 1.672 ( 7.828 7.852 -4.323) 11.901 1.708 ( -0.537 9.869 -1.478) 9.993 1.842 ( 1.955 -2.306 4.915) 5.770 2.008 ( 0.021 -5.832 -0.281) 5.839 2.070 ( 1.950 -1.939 3.257) 4.263 2.145 ( 1.093 0.780 9.567) 9.661 2.239 ( -3.391 -2.258 3.171) 5.163 2.340 ( -1.995 1.694 0.594) 2.684 2.563 ( -1.813 -2.663 -2.878) 4.320 2.647 ( -0.496 -3.818 -1.943) 4.312 2.765 ( 0.882 -0.133 4.796) 4.878 2.808 ( -0.307 -6.417 2.522) 6.902 2.870 ( 4.701 -0.919 -3.325) 5.831 2.896 ( 0.931 -2.158 -0.517) 2.407 3.009 ( 2.123 -3.549 -4.024) 5.770 3.115 ( -2.506 2.038 1.636) 3.620 3.137 ( -0.130 -3.809 3.711) 5.319 3.233 ( -1.779 -0.345 1.569) 2.397 3.266 ( 1.285 -0.501 -4.115) 4.340 3.352 ( 2.742 0.339 0.901) 2.906 3.386 ( 3.274 -0.689 -0.814) 3.443 3.471 ( 0.438 3.197 1.395) 3.515 3.570 ( 1.902 -2.211 1.903) 3.483 3.643 ( -1.399 -2.059 0.852) 2.632 3.705 ( -3.884 5.716 5.910) 9.093 3.724 ( 5.234 1.120 2.219) 5.794 3.847 ( 4.788 -0.048 -3.117) 5.713 3.864 ( -3.332 -1.842 -4.663) 6.020 3.969 ( -2.165 1.160 1.619) 2.942 4.024 ( -0.935 2.414 -0.509) 2.638 4.127 ( -0.466 2.971 0.873) 3.131 4.223 ( -3.868 -2.108 2.346) 4.991 4.320 ( 0.071 0.150 -0.331) 0.370 4.415 ( -5.474 1.841 -6.486) 8.685 4.555 ( -2.816 -0.630 5.048) 5.814 4.636 ( 1.784 1.301 -5.883) 6.283 5.115 ( -0.694 1.865 -1.678) 2.602 5.147 ( -1.555 2.460 -2.493) 3.832 5.326 ( 2.803 0.318 0.245) 2.831 5.398 ( -3.418 -1.871 -0.115) 3.898 6.071 ( -0.638 0.721 -0.518) 1.093 6.084 ( -2.134 0.145 -0.407) 2.177 6.327 ( -0.323 -4.068 3.731) 5.529 6.406 ( 1.611 -1.544 0.243) 2.244 6.445 ( -0.285 -2.763 0.539) 2.829 6.545 ( -0.830 1.308 -2.065) 2.581 6.622 ( -2.319 0.902 2.624) 3.616 6.661 ( 1.086 0.454 -2.212) 2.506 6.763 ( 1.098 2.283 -0.455) 2.574 6.824 ( 0.544 2.364 -2.032) 3.165 6.843 ( -1.168 2.188 1.166) 2.740 6.899 ( -0.834 1.044 -0.492) 1.424 7.193 ( 1.308 -0.554 0.231) 1.439 7.243 ( 2.030 0.358 -5.704) 6.065 7.424 ( 2.576 -2.462 -1.144) 3.742 7.467 ( -3.051 -1.461 0.286) 3.395 7.611 ( 1.270 1.359 4.213) 4.606 7.707 ( 1.754 -0.407 0.801) 1.971 7.761 ( 1.822 0.259 -2.536) 3.134 7.803 ( -1.038 1.448 -1.414) 2.274 8.111 ( -1.940 -1.049 4.903) 5.376 8.253 ( -1.152 -0.640 -6.656) 6.785 8.542 ( 2.369 -6.336 8.565) 10.914 8.695 ( -1.324 -6.064 -0.348) 6.216 8.835 ( -1.421 0.809 2.021) 2.599 8.855 ( 1.271 0.659 -1.464) 2.047 8.891 ( -1.367 0.950 2.746) 3.211 8.939 ( 0.527 0.336 -3.032) 3.096 9.743 ( 0.172 0.510 0.484) 0.724 9.770 ( -0.271 0.697 -0.923) 1.188 9.837 ( 0.772 -0.537 0.586) 1.108 9.870 ( -1.142 -0.264 -0.195) 1.188 10.065 ( -0.060 -0.293 0.681) 0.744 10.083 ( 0.014 -0.206 -0.632) 0.665 10.168 ( -0.456 1.617 1.142) 2.031 10.196 ( -0.077 0.879 -1.463) 1.708 12.648 ( 0.119 0.242 0.347) 0.439 12.656 ( 0.173 0.256 -0.343) 0.461 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 3.535 5.915 2.007) 7.178 0.750 ( -1.153 7.103 -4.945) 8.732 1.061 ( -5.149 -1.770 2.320) 5.918 1.151 ( 1.409 -4.071 -1.443) 4.543 1.244 ( -9.595 0.790 -0.261) 9.631 1.377 ( 2.933 1.077 -2.470) 3.983 1.562 ( -12.325 5.984 4.780) 14.510 1.729 ( -0.836 11.894 -2.447) 12.172 1.908 ( 0.698 -2.509 5.595) 6.171 1.964 ( -2.286 -3.005 -6.937) 7.898 2.147 ( 0.693 -4.184 2.355) 4.851 2.219 ( 1.554 -0.714 0.268) 1.731 2.247 ( 3.947 0.076 6.604) 7.694 2.326 ( 2.989 -0.674 -1.866) 3.587 2.528 ( -2.075 -3.932 7.042) 8.329 2.605 ( -1.708 -2.034 -4.103) 4.888 2.768 ( -3.852 -2.844 4.004) 6.242 2.802 ( -11.301 1.663 3.022) 11.816 2.843 ( 1.428 -3.812 2.886) 4.991 2.905 ( -1.554 -4.475 -5.599) 7.334 2.979 ( -3.903 2.500 -1.135) 4.772 3.094 ( 4.648 -4.418 3.323) 7.222 3.157 ( -0.762 -1.517 2.442) 2.974 3.198 ( -1.324 0.238 -0.181) 1.357 3.252 ( -1.903 0.466 0.324) 1.986 3.380 ( 2.601 -4.611 -4.900) 7.213 3.440 ( 0.227 0.510 2.521) 2.582 3.467 ( 0.499 4.027 -2.014) 4.531 3.555 ( -3.595 -0.692 3.194) 4.859 3.647 ( 0.835 -3.889 -0.634) 4.028 3.701 ( -3.365 -0.600 2.591) 4.290 3.770 ( -1.465 -0.120 2.908) 3.258 3.811 ( 1.930 1.727 0.342) 2.613 3.900 ( 2.809 1.780 -6.445) 7.252 4.026 ( 3.032 -0.129 -3.839) 4.893 4.045 ( 5.906 4.668 -3.281) 8.212 4.137 ( -0.684 1.774 0.614) 1.998 4.237 ( 7.726 -0.245 1.273) 7.834 4.310 ( -0.418 0.452 0.269) 0.672 4.366 ( 3.318 1.705 -2.671) 4.588 4.516 ( -2.998 -0.275 4.958) 5.800 4.672 ( 3.985 0.677 -5.641) 6.939 5.105 ( -0.571 3.001 -0.416) 3.083 5.119 ( 0.541 2.390 -0.595) 2.521 5.336 ( -3.025 0.020 -0.664) 3.097 5.389 ( 3.494 -1.915 0.784) 4.060 6.062 ( -0.136 0.801 0.336) 0.879 6.079 ( 1.493 0.512 0.072) 1.580 6.345 ( 0.204 -3.794 3.932) 5.468 6.408 ( 0.129 -3.182 -4.195) 5.266 6.448 ( -1.739 -1.550 3.614) 4.300 6.535 ( 1.736 -0.590 -2.677) 3.245 6.603 ( -0.765 1.016 3.271) 3.510 6.684 ( 2.165 0.902 -2.475) 3.410 6.764 ( -1.730 2.317 -0.131) 2.895 6.796 ( -0.161 3.846 -0.674) 3.908 6.856 ( 0.410 1.323 1.038) 1.731 6.902 ( 1.462 1.170 -1.137) 2.191 7.190 ( -1.577 -0.677 0.195) 1.727 7.240 ( 0.200 0.914 -5.164) 5.248 7.400 ( -4.163 -2.188 1.257) 4.869 7.465 ( 1.800 -1.722 0.370) 2.519 7.640 ( -0.179 2.749 4.163) 4.992 7.709 ( -0.486 -1.512 -4.342) 4.623 7.751 ( -2.166 0.659 -0.718) 2.376 7.828 ( 4.315 0.636 -2.403) 4.980 8.116 ( -0.612 -0.998 7.229) 7.323 8.208 ( -0.269 -0.493 -5.206) 5.236 8.622 ( 0.495 -7.128 5.010) 8.727 8.661 ( 0.179 -5.714 -1.181) 5.837 8.814 ( -1.582 0.514 2.091) 2.672 8.874 ( 0.902 0.580 -1.535) 1.873 8.883 ( -0.206 1.031 2.611) 2.815 8.952 ( 2.347 0.374 -3.218) 4.000 9.752 ( 0.386 0.675 0.838) 1.143 9.757 ( -0.480 0.621 -0.981) 1.256 9.847 ( -1.040 -0.290 -0.287) 1.117 9.862 ( 1.202 -0.368 0.574) 1.382 10.061 ( -0.669 -0.358 0.804) 1.105 10.090 ( 0.934 -0.168 -0.946) 1.340 10.168 ( -0.256 1.568 1.445) 2.147 10.192 ( 0.316 0.953 -1.293) 1.637 12.647 ( -0.385 0.260 0.358) 0.586 12.657 ( 0.093 0.235 -0.355) 0.435 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 2.889 7.172 1.880) 7.958 0.844 ( 5.145 3.314 1.948) 6.422 0.942 ( -8.678 1.305 4.314) 9.779 1.013 ( -11.142 -5.325 0.511) 12.360 1.171 ( -1.087 0.669 0.556) 1.392 1.338 ( -11.308 5.810 6.392) 14.230 1.421 ( 0.450 3.141 0.482) 3.210 1.684 ( -1.789 9.837 -0.146) 10.000 1.847 ( -6.750 0.780 -3.391) 7.594 1.915 ( -3.610 3.155 3.633) 6.015 2.046 ( -10.156 -4.121 -6.785) 12.890 2.234 ( 0.514 -1.336 -1.189) 1.861 2.353 ( 3.072 -1.613 4.275) 5.506 2.405 ( 3.196 1.351 -1.079) 3.634 2.500 ( -11.914 3.202 10.342) 16.098 2.541 ( -4.024 2.652 -0.684) 4.867 2.620 ( 2.991 -1.872 6.516) 7.411 2.728 ( -1.391 -0.978 5.863) 6.105 2.827 ( -3.206 -2.120 1.232) 4.036 2.909 ( 2.696 -3.798 -0.158) 4.660 2.982 ( 1.800 -1.211 -2.919) 3.637 3.131 ( -2.037 0.734 3.557) 4.164 3.146 ( 0.859 0.678 0.863) 1.394 3.205 ( -1.737 -4.567 1.665) 5.162 3.251 ( 3.686 -1.549 -3.926) 5.603 3.366 ( -3.003 -5.137 -4.887) 7.700 3.388 ( -1.880 4.056 -5.416) 7.023 3.478 ( -1.515 0.700 2.831) 3.287 3.487 ( -2.856 -1.231 -4.117) 5.160 3.612 ( -3.792 0.734 1.048) 4.002 3.658 ( -1.116 2.305 -0.995) 2.748 3.760 ( 0.433 -1.548 2.468) 2.945 3.856 ( 1.991 -2.672 1.155) 3.527 3.945 ( 3.093 1.231 -4.848) 5.881 4.010 ( -0.177 0.806 1.288) 1.530 4.104 ( 2.718 0.629 -4.478) 5.275 4.239 ( 4.210 -1.379 0.208) 4.435 4.316 ( 4.366 -1.056 -3.079) 5.446 4.358 ( 3.198 -2.869 -0.624) 4.341 4.465 ( 5.360 4.060 1.526) 6.895 4.555 ( 5.696 -1.038 4.087) 7.087 4.706 ( 2.618 -1.184 -6.338) 6.959 5.104 ( 0.603 1.627 1.169) 2.092 5.154 ( 2.455 2.258 2.040) 3.910 5.283 ( -2.111 1.337 -0.336) 2.521 5.455 ( 2.675 -4.429 0.959) 5.262 6.086 ( 2.323 1.732 1.412) 3.223 6.122 ( 2.635 0.587 0.964) 2.867 6.369 ( 0.381 -2.518 2.116) 3.311 6.387 ( 0.028 -3.415 -3.708) 5.041 6.427 ( -0.675 -3.070 1.269) 3.390 6.553 ( 0.243 -0.914 -0.187) 0.964 6.630 ( 1.519 0.492 2.344) 2.836 6.703 ( 0.815 -0.598 -1.132) 1.518 6.747 ( -1.808 0.720 -0.037) 1.946 6.769 ( 0.686 0.671 -1.168) 1.512 6.897 ( 2.218 3.116 -0.239) 3.832 6.916 ( 0.959 3.740 -1.148) 4.029 7.158 ( -1.738 0.084 2.140) 2.758 7.201 ( -1.465 1.861 -4.942) 5.480 7.315 ( -5.690 -2.548 1.781) 6.484 7.497 ( 0.951 -1.099 1.521) 2.104 7.653 ( -0.706 3.918 4.272) 5.839 7.664 ( -1.353 -0.352 -5.209) 5.393 7.707 ( -1.749 2.101 -2.379) 3.624 7.870 ( 1.245 -0.698 -3.703) 3.969 8.164 ( 1.503 -0.217 8.390) 8.526 8.198 ( 1.399 -0.175 -3.156) 3.457 8.587 ( -1.965 -5.801 -2.383) 6.572 8.705 ( 1.266 -6.386 1.286) 6.637 8.798 ( -1.079 0.587 1.305) 1.793 8.876 ( 0.136 0.063 0.972) 0.984 8.910 ( 1.543 1.999 0.188) 2.532 8.985 ( 2.735 0.439 -3.707) 4.627 9.747 ( -0.083 0.435 -0.474) 0.649 9.761 ( 0.018 0.760 0.687) 1.024 9.831 ( -0.182 -0.511 0.195) 0.577 9.888 ( 1.232 -0.565 0.543) 1.460 10.055 ( -0.279 -0.099 0.672) 0.734 10.101 ( 0.641 -0.430 -0.930) 1.209 10.172 ( -0.154 1.317 1.694) 2.152 10.192 ( 0.273 0.937 -1.148) 1.507 12.640 ( -0.485 0.048 0.335) 0.592 12.655 ( -0.169 0.168 -0.335) 0.412 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -6.665 -2.649 2.934) 7.749 0.796 ( -7.953 -0.818 2.709) 8.441 0.944 ( 2.081 -1.650 4.166) 4.941 1.001 ( 8.649 6.820 8.618) 13.986 1.144 ( -1.456 4.916 0.450) 5.147 1.197 ( -4.982 6.948 5.934) 10.407 1.469 ( 2.760 4.636 1.307) 5.552 1.625 ( -8.914 12.033 -6.202) 16.209 1.672 ( -4.145 8.417 0.785) 9.415 1.765 ( -11.188 2.532 3.108) 11.884 1.899 ( -1.623 1.156 -1.105) 2.279 2.189 ( -5.044 -1.308 -1.410) 5.398 2.307 ( -5.473 -1.763 0.829) 5.810 2.398 ( -1.046 -1.930 2.095) 3.035 2.478 ( 1.069 4.874 0.526) 5.018 2.559 ( 4.883 0.686 3.852) 6.257 2.711 ( -4.072 -0.265 6.756) 7.893 2.739 ( 3.164 0.052 9.182) 9.712 2.829 ( 0.958 0.785 2.137) 2.470 2.938 ( 0.107 -2.895 -3.470) 4.520 3.001 ( 2.224 -3.686 -1.281) 4.491 3.075 ( -3.001 -0.048 1.760) 3.479 3.167 ( 0.448 -0.170 -1.293) 1.379 3.203 ( -0.842 0.337 -3.765) 3.873 3.244 ( -0.091 0.536 0.138) 0.561 3.300 ( 1.816 -2.845 -5.328) 6.307 3.372 ( 0.610 0.430 -4.229) 4.294 3.399 ( -2.461 0.856 -3.388) 4.274 3.463 ( -1.464 -1.912 0.356) 2.434 3.594 ( -2.017 2.923 1.493) 3.853 3.615 ( -0.612 -0.141 1.921) 2.021 3.789 ( 0.938 -2.286 1.570) 2.928 3.892 ( -0.212 -0.170 0.683) 0.735 3.912 ( -2.413 0.708 -5.483) 6.032 4.057 ( 4.070 0.641 0.319) 4.133 4.128 ( 1.493 -0.686 -2.014) 2.599 4.261 ( 0.003 -0.441 0.207) 0.487 4.331 ( -1.460 -2.001 -1.579) 2.938 4.447 ( 4.149 -6.076 2.056) 7.639 4.574 ( 4.737 -0.737 1.232) 4.950 4.669 ( 3.708 -2.006 -2.144) 4.730 4.720 ( 2.723 -2.415 -4.645) 5.901 5.133 ( 1.044 0.535 2.892) 3.121 5.207 ( 1.032 -0.178 -0.339) 1.101 5.288 ( 3.897 0.926 2.824) 4.901 5.482 ( -0.689 -5.869 0.739) 5.955 6.157 ( 3.539 2.155 2.169) 4.677 6.174 ( 2.129 1.572 1.611) 3.099 6.370 ( -0.102 -2.501 -0.940) 2.674 6.376 ( 0.184 -4.779 -1.898) 5.146 6.457 ( 2.200 -4.650 2.159) 5.579 6.550 ( 0.143 -0.756 -0.936) 1.211 6.660 ( 0.546 -1.248 1.508) 2.032 6.687 ( -1.134 -2.497 -1.540) 3.145 6.731 ( 0.346 -0.398 -0.262) 0.589 6.794 ( 0.805 -1.053 -1.377) 1.911 6.892 ( -0.981 4.980 1.775) 5.377 6.962 ( 3.676 5.260 -3.003) 7.085 7.130 ( -2.830 -0.042 -1.518) 3.212 7.166 ( -0.957 3.569 -1.001) 3.828 7.231 ( -2.672 -1.136 5.112) 5.879 7.504 ( -1.377 -0.355 0.252) 1.444 7.610 ( -0.637 1.763 -5.183) 5.512 7.659 ( -1.558 3.693 -0.018) 4.009 7.674 ( -0.128 3.173 2.802) 4.235 7.845 ( -1.430 0.090 -4.024) 4.272 8.227 ( 2.700 0.093 -1.127) 2.927 8.231 ( 1.404 0.140 5.404) 5.585 8.550 ( -1.049 -5.126 -0.846) 5.300 8.689 ( -2.790 -5.951 -3.147) 7.287 8.793 ( -0.028 1.744 1.857) 2.548 8.881 ( -0.280 1.025 -0.505) 1.177 8.924 ( -0.111 2.469 0.247) 2.484 9.009 ( 1.827 0.414 -4.384) 4.768 9.745 ( 0.047 0.391 -0.463) 0.608 9.757 ( -0.600 0.766 0.251) 1.005 9.861 ( 2.939 -1.902 1.508) 3.812 9.910 ( 0.738 -1.079 0.583) 1.431 10.058 ( 0.145 -0.040 0.787) 0.802 10.101 ( -0.137 -0.504 -1.119) 1.235 10.175 ( -0.312 1.150 1.405) 1.843 10.191 ( 0.074 1.136 -0.505) 1.245 12.634 ( -0.290 -0.080 0.415) 0.513 12.648 ( -0.237 -0.046 -0.420) 0.485 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -3.327 -2.695 1.862) 4.669 0.713 ( 4.442 -2.533 -2.977) 5.917 0.981 ( 1.250 1.992 2.578) 3.490 1.015 ( -3.334 0.923 -0.489) 3.494 1.343 ( 1.477 6.193 12.610) 14.126 1.488 ( -0.799 12.418 4.774) 13.328 1.531 ( -2.784 -1.703 -4.079) 5.224 1.621 ( 2.043 7.222 -7.211) 10.408 1.762 ( -2.986 5.579 -1.071) 6.418 1.808 ( 4.245 5.294 -5.958) 9.030 2.065 ( -1.297 2.850 4.195) 5.235 2.139 ( 2.276 1.823 -1.660) 3.355 2.320 ( -0.489 10.558 2.851) 10.947 2.338 ( -1.224 6.600 0.065) 6.713 2.574 ( 0.277 -1.551 2.919) 3.317 2.616 ( 1.264 0.650 0.372) 1.469 2.709 ( -2.335 0.202 9.092) 9.390 2.813 ( 0.366 2.402 2.770) 3.685 2.888 ( -3.566 -4.320 5.104) 7.578 2.922 ( 3.584 7.226 1.043) 8.133 2.968 ( 1.376 -0.185 0.565) 1.499 3.058 ( -1.795 -3.826 -0.130) 4.228 3.070 ( 0.801 -2.076 1.590) 2.735 3.180 ( -1.705 1.168 -3.130) 3.751 3.245 ( -2.450 -4.148 0.581) 4.852 3.261 ( 3.290 -0.937 -6.189) 7.071 3.350 ( -0.626 2.727 -2.630) 3.840 3.370 ( 0.403 -0.740 -4.805) 4.878 3.540 ( 1.949 3.372 3.492) 5.231 3.598 ( -1.447 2.175 -1.821) 3.184 3.666 ( 2.767 1.300 3.112) 4.362 3.719 ( -1.188 -2.300 -1.151) 2.833 3.865 ( 0.338 0.404 2.087) 2.152 3.904 ( -2.621 1.814 -1.343) 3.459 4.082 ( -4.016 -1.658 2.412) 4.970 4.168 ( 6.218 -0.904 -4.191) 7.553 4.236 ( -2.000 -2.308 0.233) 3.063 4.252 ( 1.656 -2.504 -0.642) 3.070 4.358 ( -0.142 -7.415 3.234) 8.091 4.466 ( -3.425 -8.991 -6.208) 11.450 4.580 ( -0.461 -5.469 5.012) 7.433 4.712 ( 2.593 -3.615 -7.890) 9.058 5.178 ( 0.880 1.333 1.829) 2.428 5.211 ( -0.347 0.941 -1.346) 1.679 5.338 ( 2.296 -3.312 1.238) 4.216 5.350 ( -1.722 -3.412 -0.038) 3.822 6.180 ( -1.174 -2.294 2.319) 3.467 6.218 ( 1.597 -3.597 -1.511) 4.215 6.302 ( 1.178 -0.869 1.173) 1.876 6.331 ( -1.834 -0.211 -1.623) 2.458 6.438 ( 3.151 -2.316 2.643) 4.720 6.488 ( -2.762 -2.737 -2.265) 4.500 6.619 ( 0.104 -2.377 0.453) 2.422 6.623 ( -0.570 -1.904 0.002) 1.987 6.748 ( 0.378 0.934 0.119) 1.015 6.767 ( 0.337 0.748 -1.726) 1.911 6.959 ( -2.635 0.936 2.582) 3.806 7.018 ( 3.263 -0.952 -2.466) 4.199 7.135 ( 1.084 2.556 2.168) 3.523 7.209 ( -1.434 4.212 -5.098) 6.767 7.303 ( 4.258 0.371 5.597) 7.042 7.425 ( -2.910 -1.509 -5.106) 6.067 7.657 ( -2.033 3.171 0.480) 3.797 7.694 ( 1.330 3.590 -2.424) 4.532 7.769 ( -1.003 2.319 3.115) 4.011 7.821 ( 0.901 0.298 -1.840) 2.070 8.255 ( -1.358 0.683 2.032) 2.537 8.283 ( 1.986 0.378 -0.817) 2.180 8.443 ( -3.105 -2.852 5.494) 6.925 8.545 ( 0.787 -4.448 -4.750) 6.555 8.852 ( 0.534 2.091 2.432) 3.251 8.892 ( -0.478 0.894 -0.068) 1.016 8.961 ( -0.806 2.257 0.020) 2.397 9.017 ( 0.464 0.266 -3.882) 3.918 9.763 ( -0.413 1.118 -0.002) 1.192 9.764 ( 0.346 1.131 -0.189) 1.198 9.862 ( 1.285 -2.646 0.884) 3.072 9.872 ( -0.947 -2.349 -0.202) 2.541 10.065 ( 0.018 0.118 0.811) 0.820 10.080 ( -0.128 -0.404 -0.727) 0.841 10.201 ( -0.235 1.178 0.731) 1.406 10.214 ( 0.485 0.713 -0.525) 1.010 12.632 ( -0.040 -0.060 0.359) 0.366 12.639 ( 0.046 -0.273 -0.368) 0.460 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 4.286 -3.136 0.792) 5.369 0.807 ( 5.417 -6.153 -1.155) 8.278 0.972 ( -0.671 3.668 -0.766) 3.807 1.028 ( 1.718 2.430 2.462) 3.862 1.333 ( -4.465 8.931 3.864) 10.706 1.463 ( -1.665 8.741 0.247) 8.901 1.560 ( 6.003 -0.528 3.385) 6.912 1.640 ( 0.260 4.243 -5.011) 6.571 1.766 ( 4.980 4.999 0.346) 7.064 1.850 ( 2.563 4.373 -4.946) 7.082 2.068 ( -0.690 -0.384 3.256) 3.351 2.187 ( 3.495 1.423 -3.398) 5.078 2.276 ( -3.183 5.429 4.465) 7.716 2.407 ( 3.196 7.718 0.121) 8.354 2.585 ( 0.069 -0.005 2.884) 2.884 2.599 ( -0.347 0.158 -2.271) 2.303 2.729 ( -1.292 -4.021 5.024) 6.563 2.804 ( -4.074 -2.967 3.739) 6.276 2.817 ( -1.865 6.661 1.567) 7.093 2.894 ( -6.235 -4.772 -3.422) 8.565 3.006 ( -1.235 -1.847 6.592) 6.957 3.073 ( 4.663 4.759 4.416) 7.993 3.102 ( -0.054 -0.777 -7.726) 7.765 3.185 ( 4.874 1.173 2.059) 5.419 3.222 ( -1.339 -0.495 -0.232) 1.446 3.295 ( 3.045 0.405 -5.095) 5.949 3.321 ( 0.300 1.908 -1.163) 2.255 3.375 ( 2.087 -0.685 -0.500) 2.253 3.503 ( -2.966 2.556 -0.005) 3.915 3.632 ( 0.569 -1.910 -2.800) 3.437 3.661 ( -0.139 0.688 0.933) 1.168 3.757 ( 1.763 -1.059 0.846) 2.224 3.843 ( -3.087 -0.042 -0.228) 3.096 3.897 ( 2.211 2.646 3.097) 4.635 4.008 ( -4.061 -1.147 2.553) 4.932 4.186 ( -1.545 -0.765 -3.688) 4.071 4.234 ( 0.657 -1.311 -1.877) 2.382 4.266 ( 0.375 -1.392 -0.311) 1.475 4.367 ( -3.114 -6.417 -0.986) 7.200 4.427 ( 2.557 -8.184 5.506) 10.190 4.578 ( -1.710 -3.847 2.668) 4.984 4.699 ( 0.614 -2.671 -8.236) 8.679 5.192 ( -0.397 0.927 -1.549) 1.848 5.205 ( 0.738 1.554 0.689) 1.853 5.318 ( -1.110 -1.453 -0.963) 2.066 5.377 ( 0.992 -4.510 0.471) 4.642 6.151 ( -2.453 -1.449 1.231) 3.103 6.208 ( -2.074 -2.751 -1.405) 3.721 6.278 ( -2.276 -1.593 -0.739) 2.874 6.338 ( 1.155 0.377 1.989) 2.331 6.421 ( -2.380 -3.739 -2.425) 5.052 6.521 ( 4.036 -0.769 1.447) 4.356 6.631 ( 0.567 -2.030 1.435) 2.549 6.635 ( 1.570 -1.847 0.311) 2.443 6.754 ( 0.259 0.345 -0.891) 0.989 6.763 ( 0.199 1.572 -1.408) 2.120 6.935 ( -0.293 2.004 1.031) 2.273 7.085 ( 3.266 -0.621 0.980) 3.466 7.122 ( -3.325 4.185 -5.322) 7.543 7.190 ( 2.623 0.030 0.110) 2.625 7.348 ( -1.381 0.011 -6.619) 6.761 7.412 ( 3.638 -1.016 5.160) 6.395 7.609 ( -2.933 2.544 1.177) 4.057 7.713 ( 0.972 3.273 -0.629) 3.472 7.750 ( -1.706 0.272 2.213) 2.808 7.848 ( 2.118 1.776 -1.729) 3.260 8.210 ( -4.040 1.030 1.354) 4.383 8.300 ( 0.184 -1.105 -0.437) 1.202 8.395 ( -3.764 -2.328 4.600) 6.384 8.558 ( 1.502 -5.238 -1.238) 5.588 8.868 ( -0.177 1.170 1.820) 2.171 8.876 ( -0.469 1.663 -1.054) 2.024 8.945 ( -1.497 1.788 2.455) 3.386 8.995 ( -0.704 0.346 -3.456) 3.544 9.751 ( -0.323 0.938 0.128) 1.001 9.781 ( 0.915 1.239 -0.095) 1.543 9.838 ( -1.819 -2.190 -0.500) 2.890 9.882 ( 0.112 -2.019 0.321) 2.047 10.067 ( -0.219 0.080 0.589) 0.634 10.078 ( 0.151 -0.257 -0.403) 0.501 10.200 ( -0.106 1.299 0.468) 1.385 10.221 ( 0.423 0.425 -0.760) 0.968 12.635 ( 0.265 0.008 0.171) 0.315 12.645 ( 0.615 -0.150 -0.182) 0.659 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 5.519 -0.626 1.232) 5.689 0.884 ( 2.800 -4.209 1.304) 5.220 0.955 ( -0.144 2.571 -0.600) 2.644 1.062 ( 1.617 3.498 -2.096) 4.387 1.294 ( 0.033 5.656 -2.056) 6.018 1.497 ( 4.084 7.075 -0.814) 8.210 1.613 ( 2.916 0.928 -3.952) 4.998 1.720 ( 6.621 -0.681 3.809) 7.668 1.849 ( 2.061 7.321 1.838) 7.825 1.914 ( 6.702 0.920 -2.227) 7.122 2.046 ( -3.227 1.397 0.279) 3.527 2.186 ( -4.148 -0.914 5.208) 6.720 2.268 ( -0.317 3.564 3.821) 5.235 2.407 ( -1.761 0.388 -2.287) 2.912 2.570 ( -1.589 -1.713 -2.096) 3.139 2.622 ( -0.942 -0.262 1.462) 1.759 2.702 ( -3.808 -5.381 4.024) 7.723 2.726 ( -3.651 -5.949 0.868) 7.034 2.773 ( 0.290 -0.328 1.635) 1.692 2.843 ( -0.578 -3.979 -2.545) 4.759 2.968 ( -0.448 -0.241 -0.889) 1.024 3.066 ( 0.125 -0.525 -2.978) 3.027 3.169 ( -0.332 1.266 -0.619) 1.448 3.205 ( 0.246 -2.170 0.592) 2.263 3.266 ( 2.431 1.392 0.589) 2.862 3.320 ( 1.917 2.950 -4.306) 5.561 3.357 ( 2.175 4.085 3.962) 6.092 3.436 ( 1.846 1.114 0.229) 2.168 3.530 ( 6.708 2.392 4.708) 8.537 3.594 ( -1.464 -4.106 -3.634) 5.675 3.656 ( -0.872 -2.305 -0.772) 2.582 3.772 ( 0.687 -0.775 1.559) 1.872 3.804 ( -0.545 0.503 -0.060) 0.744 3.952 ( 1.032 4.830 0.728) 4.992 3.977 ( -0.886 -1.447 2.814) 3.286 4.126 ( -2.546 1.936 -2.963) 4.360 4.200 ( -2.723 -2.337 -0.889) 3.697 4.253 ( -2.712 0.703 1.961) 3.420 4.324 ( -0.036 -0.947 -0.051) 0.949 4.492 ( -0.747 -6.033 5.325) 8.081 4.548 ( -1.593 0.030 0.906) 1.833 4.668 ( 0.633 -0.476 -7.903) 7.943 5.173 ( -0.356 1.938 -2.150) 2.917 5.217 ( 0.072 2.264 -0.204) 2.274 5.307 ( 0.489 -0.365 -0.922) 1.106 5.378 ( -0.720 -3.814 -0.209) 3.887 6.111 ( -1.987 -0.248 0.364) 2.035 6.144 ( -3.273 -0.198 -1.073) 3.450 6.243 ( -1.389 -3.549 0.647) 3.866 6.351 ( -0.436 -4.594 -2.622) 5.307 6.393 ( 0.232 0.560 2.680) 2.748 6.594 ( 2.810 1.896 -0.710) 3.463 6.632 ( -1.453 -2.347 1.654) 3.218 6.674 ( 1.286 0.354 1.513) 2.017 6.760 ( 1.833 0.538 -1.834) 2.648 6.779 ( 2.891 1.602 -1.255) 3.536 6.940 ( -0.273 2.695 0.451) 2.746 7.019 ( -4.810 3.689 -2.895) 6.717 7.143 ( 2.044 -0.638 2.255) 3.110 7.239 ( 2.754 -0.984 -5.158) 5.930 7.326 ( 2.141 -0.674 -3.474) 4.136 7.467 ( -0.361 -2.391 2.103) 3.205 7.580 ( -0.667 1.471 3.282) 3.658 7.714 ( -0.860 -0.038 0.286) 0.907 7.745 ( 0.345 1.772 1.919) 2.635 7.865 ( 0.712 1.989 -2.728) 3.450 8.139 ( -4.218 0.746 3.411) 5.476 8.287 ( -0.875 -1.124 -2.949) 3.275 8.365 ( -1.558 -4.956 5.373) 7.474 8.571 ( -0.070 -7.151 -0.209) 7.154 8.865 ( -0.599 0.552 0.774) 1.124 8.866 ( -0.168 1.280 -0.787) 1.512 8.926 ( -1.844 1.208 2.440) 3.289 8.964 ( -0.891 0.280 -2.584) 2.748 9.751 ( 0.083 0.773 0.295) 0.832 9.792 ( 0.335 1.282 -0.411) 1.387 9.813 ( -0.366 -1.311 0.052) 1.362 9.876 ( -0.686 -1.184 0.043) 1.370 10.065 ( -0.177 0.162 0.387) 0.455 10.079 ( 0.039 -0.353 -0.295) 0.461 10.201 ( -0.082 1.428 0.466) 1.505 10.220 ( -0.020 0.613 -0.842) 1.042 12.644 ( 0.582 0.218 0.108) 0.631 12.656 ( 0.509 0.067 -0.114) 0.526 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.073 7.006 1.827) 7.241 0.911 ( 0.595 3.427 -2.857) 4.501 1.011 ( 3.352 -2.755 2.106) 4.823 1.073 ( 0.691 -0.872 -1.555) 1.912 1.315 ( 3.211 3.828 -1.486) 5.213 1.499 ( -2.394 4.892 -7.410) 9.196 1.698 ( 4.537 -5.516 1.898) 7.390 1.844 ( -2.627 -1.754 0.289) 3.171 1.888 ( 6.257 7.099 2.642) 9.825 1.966 ( -1.988 7.602 -1.650) 8.029 2.033 ( 5.959 -1.142 0.771) 6.117 2.159 ( -1.480 0.053 9.755) 9.866 2.227 ( -5.786 1.453 2.524) 6.478 2.343 ( -2.910 -1.942 -3.869) 5.216 2.510 ( -3.404 -2.341 0.599) 4.174 2.588 ( -1.594 -3.260 -2.228) 4.258 2.664 ( -0.650 -7.066 5.393) 8.912 2.735 ( 2.603 -2.656 2.504) 4.483 2.789 ( -2.032 -5.890 -2.888) 6.868 2.829 ( 0.913 -5.305 3.268) 6.297 2.972 ( 0.584 -0.335 -3.574) 3.637 3.102 ( 3.599 0.494 -0.104) 3.634 3.134 ( -3.356 -0.379 -2.319) 4.097 3.191 ( -0.323 -3.701 -2.113) 4.274 3.253 ( 0.509 -1.111 -0.688) 1.402 3.337 ( -0.807 0.059 -1.727) 1.907 3.408 ( 0.909 1.310 5.323) 5.557 3.480 ( 1.891 -1.344 0.900) 2.489 3.538 ( -1.390 -3.342 -3.040) 4.727 3.571 ( -2.363 -3.069 0.043) 3.873 3.754 ( 4.818 3.060 4.026) 6.985 3.806 ( 0.745 1.752 1.602) 2.488 3.821 ( 2.550 1.346 0.013) 2.884 3.915 ( -3.423 1.967 -3.130) 5.039 4.006 ( 3.281 3.555 2.548) 5.468 4.096 ( -0.065 4.353 -0.200) 4.358 4.155 ( 0.344 0.659 -0.427) 0.858 4.229 ( -1.245 2.948 3.165) 4.501 4.332 ( 0.256 1.044 0.267) 1.107 4.431 ( -3.584 -0.339 -4.510) 5.770 4.541 ( -2.386 -0.522 5.909) 6.393 4.656 ( 2.046 0.285 -6.985) 7.284 5.165 ( 0.418 3.159 -1.049) 3.355 5.203 ( -0.918 3.227 -1.799) 3.807 5.322 ( 1.126 -0.976 0.000) 1.490 5.356 ( -1.221 -2.320 -0.594) 2.688 6.085 ( -0.844 0.510 0.062) 0.988 6.094 ( -1.390 0.946 -0.519) 1.760 6.232 ( -0.502 -4.803 2.070) 5.254 6.321 ( -0.501 -6.879 -4.416) 8.190 6.430 ( 0.954 1.901 5.406) 5.809 6.574 ( -1.953 1.621 -3.014) 3.940 6.639 ( -0.432 -0.481 2.782) 2.856 6.689 ( 1.181 1.789 -1.629) 2.693 6.810 ( 3.392 2.841 -0.336) 4.438 6.855 ( 4.736 1.077 -0.718) 4.910 6.905 ( -3.404 3.941 -1.049) 5.312 6.931 ( -3.543 1.720 -0.045) 3.938 7.182 ( 1.026 -0.442 1.141) 1.597 7.247 ( 1.581 -0.140 -5.700) 5.917 7.374 ( 3.121 -2.525 -0.786) 4.091 7.428 ( -3.553 -2.469 0.575) 4.365 7.613 ( 1.760 -0.461 3.601) 4.035 7.695 ( -0.874 -1.683 -0.915) 2.105 7.769 ( 0.617 2.000 2.812) 3.505 7.853 ( 0.098 2.222 -3.954) 4.537 8.097 ( -2.515 0.192 5.838) 6.359 8.242 ( -1.243 -0.262 -5.561) 5.704 8.397 ( 1.373 -7.905 7.211) 10.788 8.551 ( -1.281 -8.339 -1.944) 8.658 8.849 ( -1.514 0.726 2.022) 2.628 8.871 ( 0.935 0.604 -1.669) 2.006 8.906 ( -1.297 0.799 1.817) 2.371 8.943 ( 0.278 -0.003 -2.624) 2.639 9.757 ( 0.409 0.997 0.600) 1.233 9.788 ( -0.360 1.209 -0.854) 1.523 9.823 ( 0.944 -0.876 0.877) 1.558 9.860 ( -0.936 -0.784 -0.311) 1.260 10.063 ( -0.336 0.089 0.759) 0.835 10.078 ( 0.266 -0.297 -0.803) 0.897 10.201 ( -0.199 1.566 0.544) 1.669 10.215 ( -0.049 0.917 -0.730) 1.173 12.654 ( 0.352 0.377 0.194) 0.551 12.661 ( 0.130 0.247 -0.191) 0.338 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.964 5.706 2.194) 6.189 0.893 ( -0.154 6.806 -3.950) 7.870 1.033 ( -2.296 -1.775 1.614) 3.321 1.065 ( -0.804 -2.455 -2.143) 3.356 1.312 ( -6.935 5.140 0.756) 8.665 1.441 ( 3.896 5.274 -4.251) 7.815 1.644 ( -10.697 0.586 6.728) 12.650 1.835 ( -0.171 -5.194 1.303) 5.357 1.933 ( -1.981 2.242 -1.822) 3.502 1.957 ( 2.820 9.866 -2.554) 10.575 2.086 ( -3.738 -0.291 -0.677) 3.810 2.205 ( 0.275 -1.756 6.749) 6.979 2.225 ( 5.440 -1.775 0.868) 5.788 2.311 ( 4.441 -0.483 -0.650) 4.514 2.474 ( -1.936 -1.731 5.565) 6.141 2.566 ( 0.599 -2.925 -1.773) 3.472 2.664 ( -3.735 -6.545 4.185) 8.619 2.763 ( 2.310 -2.889 2.146) 4.276 2.791 ( -0.546 -5.313 -3.680) 6.486 2.828 ( -0.387 -1.617 0.292) 1.688 3.005 ( -4.046 -0.529 -2.781) 4.938 3.019 ( 2.378 -2.930 3.098) 4.882 3.149 ( -1.265 0.636 1.824) 2.309 3.162 ( -0.276 -2.953 -3.887) 4.890 3.265 ( -3.750 0.323 0.187) 3.769 3.309 ( 2.295 -1.592 -0.140) 2.797 3.441 ( -0.075 -0.792 4.096) 4.173 3.515 ( -0.022 -2.140 -3.484) 4.088 3.527 ( 1.036 -2.339 0.818) 2.686 3.538 ( 1.451 -2.636 -0.422) 3.038 3.747 ( -5.810 4.313 3.223) 7.921 3.776 ( -2.507 0.954 3.719) 4.586 3.852 ( -0.151 2.035 -2.787) 3.454 3.929 ( 4.976 0.115 -3.030) 5.828 4.028 ( -2.252 1.074 0.647) 2.577 4.120 ( 4.765 1.732 -2.082) 5.481 4.164 ( -3.628 2.197 0.338) 4.255 4.280 ( 4.692 3.895 -0.969) 6.174 4.333 ( 0.218 1.894 0.498) 1.970 4.406 ( 5.788 2.463 -4.816) 7.922 4.514 ( -3.070 0.039 6.894) 7.547 4.668 ( 2.113 -1.238 -6.137) 6.608 5.171 ( -1.102 3.592 -1.430) 4.020 5.178 ( 0.750 3.457 0.176) 3.542 5.329 ( -1.354 -0.888 -0.647) 1.744 5.345 ( 1.158 -2.529 0.502) 2.827 6.083 ( 0.673 1.236 0.437) 1.473 6.089 ( 0.899 0.562 -0.269) 1.094 6.245 ( 0.512 -5.543 3.102) 6.373 6.294 ( -0.091 -6.906 -4.119) 8.041 6.456 ( -1.527 1.946 4.458) 5.098 6.556 ( 2.404 1.943 -3.091) 4.371 6.622 ( -2.327 0.252 3.248) 4.004 6.714 ( 2.071 1.184 -2.422) 3.400 6.803 ( -4.011 2.152 0.427) 4.572 6.844 ( -4.219 1.019 -0.445) 4.363 6.912 ( 3.571 4.198 -1.324) 5.669 6.933 ( 3.142 1.726 0.042) 3.585 7.184 ( -1.062 0.227 0.677) 1.280 7.243 ( 0.261 -0.960 -4.892) 4.992 7.354 ( -4.017 -2.031 0.995) 4.610 7.429 ( 2.442 -2.094 0.530) 3.260 7.664 ( 1.515 -1.187 1.346) 2.348 7.677 ( 0.330 -0.584 -1.783) 1.905 7.780 ( -0.980 2.280 1.954) 3.159 7.848 ( 1.559 0.853 -3.877) 4.265 8.107 ( 0.076 0.654 7.844) 7.871 8.203 ( 0.039 0.251 -4.791) 4.797 8.464 ( 1.089 -8.735 5.298) 10.275 8.520 ( 0.458 -8.303 -3.160) 8.896 8.831 ( -1.292 1.116 2.055) 2.672 8.874 ( -0.323 -0.295 0.207) 0.484 8.906 ( 1.145 1.194 0.140) 1.660 8.954 ( 2.151 -0.191 -2.690) 3.450 9.771 ( 0.369 1.209 0.707) 1.448 9.774 ( -0.457 1.139 -0.844) 1.489 9.837 ( -0.969 -0.720 -0.322) 1.249 9.850 ( 1.005 -0.895 0.585) 1.468 10.059 ( -0.447 0.172 0.803) 0.935 10.082 ( 0.590 -0.471 -0.885) 1.163 10.200 ( -0.164 1.602 0.705) 1.758 10.212 ( 0.109 1.009 -0.603) 1.180 12.654 ( -0.497 0.397 0.218) 0.673 12.662 ( 0.007 0.223 -0.211) 0.307 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -5.832 -0.452 -0.684) 5.889 0.899 ( -1.774 -1.376 -0.381) 2.277 0.935 ( -4.199 3.681 0.077) 5.585 1.059 ( 1.974 6.686 -0.911) 7.031 1.220 ( -2.924 5.070 4.109) 7.151 1.465 ( -6.102 7.167 4.591) 10.473 1.533 ( 1.664 6.982 1.027) 7.251 1.765 ( -5.385 -0.761 -0.249) 5.444 1.859 ( -2.871 0.999 -2.445) 3.901 1.984 ( -4.726 2.086 -4.316) 6.731 2.047 ( 3.412 5.076 -1.598) 6.322 2.189 ( -3.245 -3.053 2.094) 4.923 2.299 ( 1.740 -3.874 6.347) 7.637 2.432 ( 4.514 1.512 -5.131) 6.999 2.497 ( -0.569 -1.614 5.883) 6.127 2.593 ( 2.314 -1.884 8.661) 9.161 2.645 ( -0.531 -0.335 3.364) 3.422 2.725 ( -6.839 5.507 3.339) 9.394 2.769 ( 1.233 -2.702 -4.526) 5.413 2.833 ( 3.032 -2.682 1.809) 4.434 2.952 ( 0.164 -1.559 -3.793) 4.104 3.085 ( 0.200 -7.017 3.357) 7.781 3.124 ( -1.019 -1.438 1.723) 2.465 3.182 ( 2.792 1.345 0.573) 3.151 3.220 ( -0.362 0.767 0.030) 0.849 3.312 ( -1.484 -0.466 -0.519) 1.640 3.451 ( -0.063 0.558 -0.015) 0.562 3.466 ( -3.009 -0.417 -3.794) 4.860 3.516 ( -0.680 2.063 0.379) 2.205 3.627 ( 3.255 -4.188 0.619) 5.340 3.634 ( -5.647 1.173 -0.978) 5.850 3.759 ( -1.193 1.675 1.369) 2.470 3.814 ( -0.621 -0.819 -1.648) 1.943 3.975 ( 0.569 0.778 -0.678) 1.179 4.013 ( 0.716 0.220 0.638) 0.984 4.122 ( 0.636 1.169 -3.042) 3.321 4.194 ( 2.599 -2.455 -0.198) 3.581 4.302 ( 0.507 -0.230 -2.171) 2.242 4.339 ( 0.723 0.066 -1.841) 1.979 4.511 ( -0.595 -1.257 7.482) 7.610 4.556 ( 8.711 2.248 -3.551) 9.672 4.653 ( -0.686 -3.743 -6.824) 7.813 5.150 ( -0.380 2.910 -0.152) 2.939 5.200 ( 0.965 2.588 1.257) 3.035 5.301 ( -1.205 0.025 -0.311) 1.245 5.368 ( 0.765 -4.121 0.773) 4.263 6.116 ( 2.541 0.896 0.308) 2.712 6.119 ( 2.135 -0.373 0.714) 2.282 6.275 ( 0.565 -5.783 -0.666) 5.849 6.286 ( 1.596 -5.707 1.108) 6.029 6.431 ( -1.871 2.571 0.207) 3.187 6.579 ( -1.222 2.652 0.614) 2.983 6.621 ( 1.428 -1.452 1.716) 2.663 6.713 ( -2.488 0.920 0.050) 2.653 6.756 ( -1.603 -1.061 -1.880) 2.689 6.760 ( -1.315 0.482 -0.537) 1.500 6.952 ( 0.314 1.958 -0.473) 2.039 6.991 ( 3.550 3.723 -0.125) 5.145 7.168 ( -1.424 0.625 1.540) 2.188 7.198 ( -2.282 -2.071 -1.951) 3.648 7.296 ( -1.938 1.076 -1.661) 2.770 7.473 ( 1.519 -1.777 1.182) 2.620 7.659 ( 0.493 0.244 -3.855) 3.894 7.711 ( 1.593 1.531 1.181) 2.506 7.757 ( -1.727 2.805 0.102) 3.296 7.855 ( 0.349 -0.802 -2.021) 2.202 8.172 ( 2.367 1.345 7.448) 7.930 8.202 ( 1.849 0.860 -2.946) 3.583 8.458 ( -0.732 -6.879 -1.468) 7.072 8.558 ( 2.134 -8.207 0.256) 8.484 8.824 ( -0.516 1.644 1.985) 2.628 8.874 ( 0.053 -0.233 1.349) 1.370 8.940 ( 2.266 1.164 -0.986) 2.732 8.988 ( 2.657 -0.221 -2.882) 3.926 9.760 ( -0.288 0.856 -0.649) 1.112 9.782 ( 0.074 1.377 0.655) 1.527 9.818 ( -0.553 -0.827 -0.382) 1.066 9.871 ( 0.802 -1.184 0.565) 1.538 10.057 ( -0.185 0.295 0.758) 0.834 10.088 ( 0.390 -0.760 -0.819) 1.183 10.201 ( -0.175 1.458 0.860) 1.702 10.212 ( 0.097 0.948 -0.488) 1.070 12.643 ( -0.666 0.252 0.177) 0.734 12.657 ( -0.428 0.025 -0.170) 0.462 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -3.358 -1.023 -1.438) 3.793 0.771 ( -7.867 -3.153 1.650) 8.635 0.949 ( 1.207 3.767 1.236) 4.145 1.083 ( -1.296 1.223 -2.541) 3.103 1.237 ( 1.942 7.698 10.054) 12.810 1.420 ( 0.823 11.536 5.180) 12.673 1.605 ( 4.610 8.681 -2.877) 10.242 1.650 ( -6.029 -2.121 -2.741) 6.954 1.810 ( -2.250 1.693 -0.825) 2.934 1.850 ( -4.667 7.083 -7.684) 11.445 2.073 ( -0.741 8.005 2.239) 8.345 2.137 ( -2.212 -3.763 1.456) 4.601 2.342 ( -1.617 0.526 7.341) 7.535 2.380 ( -4.059 7.265 -3.746) 9.126 2.550 ( 3.469 -0.601 3.303) 4.828 2.575 ( -2.151 5.231 1.801) 5.936 2.696 ( -0.745 -3.958 13.015) 13.624 2.757 ( 3.207 3.029 1.032) 4.531 2.822 ( 5.654 -0.011 1.293) 5.800 2.900 ( 2.710 -2.595 -0.189) 3.757 2.939 ( 0.634 -1.999 -0.538) 2.165 3.050 ( -3.600 -2.807 1.324) 4.753 3.143 ( -0.478 -0.748 4.370) 4.460 3.195 ( -1.431 -2.950 0.607) 3.334 3.236 ( -0.391 0.710 1.327) 1.555 3.294 ( 2.677 2.596 -9.267) 9.989 3.389 ( -2.807 2.594 -4.588) 5.971 3.411 ( -3.625 -0.485 -3.767) 5.251 3.491 ( 0.624 4.315 0.088) 4.360 3.567 ( 1.541 -2.586 2.385) 3.841 3.686 ( -0.986 2.494 -1.101) 2.899 3.730 ( -1.005 -2.042 2.543) 3.413 3.841 ( 2.058 -3.376 0.665) 4.009 3.951 ( -1.833 1.599 -1.306) 2.761 4.066 ( 4.466 -0.136 -0.512) 4.498 4.118 ( -0.414 -0.249 -0.654) 0.813 4.226 ( 1.164 -3.817 0.414) 4.012 4.278 ( -1.911 -2.481 -1.220) 3.361 4.352 ( 1.018 -3.554 -1.573) 4.018 4.546 ( 0.089 -1.518 5.381) 5.592 4.572 ( -3.364 -8.210 -5.492) 10.435 4.671 ( 5.681 -2.100 -6.690) 9.024 5.155 ( 0.539 1.779 1.399) 2.327 5.218 ( 0.238 1.409 0.046) 1.430 5.296 ( 0.940 -0.654 1.005) 1.524 5.374 ( -0.670 -4.691 0.662) 4.785 6.163 ( 1.768 -1.952 1.297) 2.935 6.175 ( 2.969 -0.710 0.380) 3.076 6.279 ( 0.923 -3.888 -0.972) 4.112 6.340 ( 2.112 -4.626 1.948) 5.446 6.398 ( -0.913 2.067 -0.412) 2.297 6.545 ( -2.333 -0.306 -0.370) 2.382 6.628 ( -1.081 -1.488 0.841) 2.023 6.653 ( -2.525 -1.176 -0.852) 2.913 6.741 ( 0.390 1.248 0.689) 1.478 6.766 ( 0.799 -1.374 -2.026) 2.575 6.952 ( 0.688 1.147 0.198) 1.352 7.034 ( -0.835 1.317 0.876) 1.788 7.117 ( -1.108 0.626 -0.377) 1.328 7.210 ( 1.749 0.714 3.670) 4.128 7.259 ( -0.656 3.349 -3.725) 5.052 7.482 ( -1.049 -2.283 -0.960) 2.690 7.658 ( 1.576 3.032 -3.965) 5.234 7.715 ( -1.666 2.765 -0.789) 3.323 7.750 ( 0.886 3.083 2.316) 3.956 7.838 ( -1.147 -0.881 -1.161) 1.854 8.236 ( 2.239 0.844 0.458) 2.436 8.243 ( 1.922 1.286 2.825) 3.651 8.449 ( -0.044 -4.671 0.708) 4.725 8.569 ( -0.299 -6.381 -2.709) 6.939 8.832 ( 0.260 2.093 2.121) 2.991 8.887 ( 0.363 0.029 1.632) 1.672 8.967 ( 1.038 1.741 -1.870) 2.758 9.015 ( 1.736 0.080 -3.722) 4.107 9.756 ( 0.159 0.763 -0.341) 0.850 9.778 ( -0.636 1.384 0.177) 1.533 9.826 ( 1.417 -1.710 0.695) 2.327 9.882 ( 0.034 -1.783 0.295) 1.808 10.060 ( 0.076 0.254 0.759) 0.804 10.087 ( -0.075 -0.760 -0.786) 1.096 10.201 ( -0.236 1.304 0.792) 1.543 10.211 ( 0.066 0.889 -0.290) 0.937 12.634 ( -0.361 0.045 0.231) 0.431 12.646 ( -0.512 -0.192 -0.231) 0.594 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -2.082 -1.336 0.516) 2.527 0.636 ( 0.915 -3.657 -1.582) 4.088 1.044 ( 0.351 3.018 0.526) 3.083 1.057 ( -0.990 1.821 -0.692) 2.185 1.407 ( 0.750 2.499 4.011) 4.785 1.469 ( 0.505 -3.798 -2.143) 4.390 1.704 ( -0.712 7.517 1.102) 7.631 1.738 ( -1.173 3.274 -2.640) 4.366 1.842 ( -0.944 3.247 0.618) 3.438 1.875 ( 0.616 0.889 -2.144) 2.401 2.056 ( -0.356 0.416 1.783) 1.865 2.104 ( 1.266 -3.663 -2.096) 4.406 2.485 ( -1.003 8.729 7.582) 11.605 2.538 ( 1.790 1.689 0.239) 2.473 2.547 ( 1.251 -0.158 -1.770) 2.173 2.622 ( 0.373 -2.359 5.149) 5.676 2.704 ( -4.494 4.314 -0.999) 6.309 2.800 ( -3.875 -3.751 -0.480) 5.415 2.901 ( 6.010 4.557 2.091) 7.826 2.944 ( -2.161 0.417 0.425) 2.241 2.971 ( -2.705 -2.980 3.083) 5.070 3.006 ( 5.388 -4.354 -1.662) 7.124 3.124 ( -0.146 4.489 5.739) 7.288 3.164 ( 0.862 -2.467 3.619) 4.464 3.224 ( -0.704 7.195 1.192) 7.327 3.306 ( -1.321 2.071 -5.494) 6.018 3.368 ( -1.144 1.367 -0.355) 1.817 3.413 ( 0.815 1.489 -3.236) 3.654 3.543 ( 2.889 -3.043 0.663) 4.248 3.569 ( 0.479 -2.590 -0.928) 2.793 3.712 ( -1.681 3.355 3.279) 4.983 3.758 ( -0.022 2.777 -0.704) 2.865 3.854 ( 2.086 -0.231 2.489) 3.256 3.909 ( -1.613 -2.274 -2.604) 3.815 4.056 ( -3.092 -0.229 4.500) 5.464 4.104 ( 2.819 -4.567 2.052) 5.746 4.179 ( 0.640 -0.599 -0.121) 0.884 4.225 ( -1.756 0.171 -1.729) 2.470 4.263 ( -0.373 -6.118 -3.736) 7.179 4.273 ( -2.456 -5.759 -2.282) 6.664 4.555 ( 0.485 2.186 -1.195) 2.538 4.627 ( 1.937 -4.643 -7.292) 8.859 5.212 ( 0.811 2.187 1.289) 2.665 5.238 ( -0.510 1.128 -1.345) 1.827 5.278 ( 0.922 -2.025 1.531) 2.701 5.299 ( -0.398 -2.401 -0.549) 2.495 6.144 ( -0.273 -0.714 0.607) 0.976 6.159 ( 0.474 -2.148 -0.855) 2.360 6.293 ( 2.158 -0.051 1.494) 2.625 6.307 ( 0.134 -1.504 0.347) 1.550 6.428 ( 0.371 0.588 0.453) 0.830 6.448 ( -2.735 -1.543 -1.408) 3.442 6.591 ( -0.694 -0.575 0.642) 1.106 6.595 ( -0.819 -0.935 0.229) 1.264 6.774 ( 0.266 1.390 0.168) 1.425 6.784 ( 0.987 0.488 -0.840) 1.385 6.967 ( -0.253 0.568 0.230) 0.663 6.990 ( 2.536 -1.660 -1.768) 3.509 7.191 ( -1.044 3.066 4.038) 5.177 7.237 ( -0.922 -1.189 1.504) 2.127 7.330 ( 2.404 2.466 -2.225) 4.100 7.382 ( -0.503 -2.711 -4.722) 5.468 7.718 ( -2.557 3.032 1.367) 4.196 7.752 ( 0.220 1.303 -1.540) 2.030 7.782 ( -1.464 0.036 1.658) 2.212 7.809 ( 2.225 -1.329 -0.667) 2.676 8.274 ( -1.059 1.063 1.806) 2.348 8.288 ( 0.014 -0.196 0.717) 0.743 8.419 ( -0.576 0.621 1.297) 1.549 8.463 ( 0.815 -3.661 -2.757) 4.655 8.884 ( 0.075 1.219 2.229) 2.542 8.898 ( -0.197 -0.204 1.581) 1.606 8.998 ( -0.076 1.498 -1.908) 2.427 9.016 ( 0.330 -0.415 -2.946) 2.994 9.787 ( 0.616 1.434 0.195) 1.573 9.792 ( -0.641 1.673 -0.322) 1.820 9.819 ( 0.999 -1.940 0.576) 2.257 9.828 ( -0.909 -2.126 -0.420) 2.350 10.069 ( 0.013 0.234 0.394) 0.459 10.074 ( 0.002 -0.292 -0.119) 0.316 10.218 ( -0.086 0.557 0.243) 0.613 10.222 ( 0.130 0.128 -0.161) 0.243 12.632 ( -0.011 0.060 0.125) 0.138 12.634 ( 0.020 -0.206 -0.134) 0.247 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 4.608 0.109 1.411) 4.820 0.692 ( 5.001 -4.927 0.398) 7.032 1.044 ( 0.033 3.574 0.086) 3.575 1.075 ( 1.808 0.946 0.311) 2.064 1.419 ( -0.808 2.633 0.023) 2.754 1.479 ( 1.461 -3.774 -1.379) 4.275 1.699 ( 0.599 7.639 2.529) 8.069 1.721 ( -0.129 3.596 -0.528) 3.637 1.853 ( 1.631 4.515 1.416) 5.005 1.922 ( 4.051 0.701 -0.594) 4.154 2.053 ( -0.620 1.211 0.855) 1.607 2.125 ( 2.418 -4.634 -2.349) 5.730 2.424 ( -5.769 6.534 3.891) 9.546 2.500 ( -6.485 -0.339 -1.965) 6.785 2.570 ( 0.384 0.300 -3.303) 3.339 2.626 ( -1.677 2.780 5.519) 6.403 2.652 ( -2.562 -6.242 4.297) 7.999 2.705 ( -4.886 -2.895 1.830) 5.967 2.813 ( -6.309 -0.241 -0.137) 6.315 2.875 ( -6.562 -3.638 1.557) 7.663 2.988 ( 1.776 3.325 -3.371) 5.057 3.061 ( 1.003 -3.499 -4.364) 5.683 3.203 ( 2.674 1.655 5.348) 6.204 3.218 ( 1.906 0.360 2.271) 2.986 3.306 ( 0.098 10.560 -0.550) 10.574 3.339 ( 7.305 4.189 3.665) 9.184 3.352 ( 3.589 1.414 -2.196) 4.439 3.414 ( 1.673 3.645 -4.035) 5.689 3.528 ( -2.283 -2.336 -1.879) 3.769 3.571 ( -0.114 -6.676 -2.593) 7.163 3.631 ( -5.295 3.136 1.085) 6.249 3.739 ( -2.838 -4.033 2.908) 5.725 3.856 ( 0.120 3.472 -2.256) 4.143 3.921 ( 1.229 -1.573 0.512) 2.061 4.039 ( -0.678 4.361 4.034) 5.979 4.160 ( 0.952 -6.975 -1.959) 7.307 4.179 ( 0.645 0.757 0.157) 1.006 4.240 ( -0.037 -2.833 1.417) 3.167 4.258 ( 3.535 -4.854 5.178) 7.929 4.268 ( 1.560 -2.632 -1.785) 3.542 4.567 ( 1.227 2.006 -1.258) 2.667 4.630 ( 2.153 -4.034 -7.057) 8.410 5.222 ( -0.051 2.028 -1.274) 2.396 5.240 ( 1.054 1.427 0.648) 1.889 5.285 ( -0.086 -1.409 -0.962) 1.708 5.307 ( 0.946 -2.860 0.301) 3.028 6.132 ( -1.112 -0.052 0.282) 1.149 6.154 ( -0.693 -2.247 -0.553) 2.416 6.267 ( -2.780 0.551 -1.885) 3.404 6.303 ( -1.482 -2.952 -1.746) 3.736 6.424 ( 0.396 2.928 2.391) 3.802 6.485 ( 3.440 -2.924 2.624) 5.222 6.602 ( 1.293 -0.624 1.222) 1.885 6.607 ( 1.884 -1.063 0.921) 2.351 6.776 ( 0.411 1.622 -1.383) 2.171 6.791 ( 0.634 0.452 -1.305) 1.520 6.980 ( 1.633 2.952 -1.482) 3.685 7.045 ( 3.768 -3.361 -2.870) 5.808 7.167 ( -3.178 1.862 1.091) 3.842 7.196 ( -2.576 -0.575 1.917) 3.262 7.358 ( 1.033 1.129 -4.579) 4.828 7.386 ( 2.446 -1.542 0.377) 2.916 7.667 ( -3.472 3.213 2.256) 5.241 7.720 ( -2.874 -2.043 1.983) 4.045 7.790 ( 0.989 3.306 -0.209) 3.457 7.844 ( 1.719 -1.936 -0.639) 2.667 8.238 ( -3.536 1.627 1.760) 4.272 8.270 ( -2.526 -1.799 2.326) 3.876 8.393 ( -2.019 2.084 -0.461) 2.938 8.461 ( -0.192 -4.628 -1.562) 4.889 8.885 ( -0.836 0.673 1.412) 1.774 8.892 ( -0.899 0.097 0.847) 1.238 8.980 ( -1.148 1.471 -0.658) 1.979 8.997 ( -0.932 -0.329 -2.328) 2.529 9.772 ( -0.635 1.238 -0.096) 1.394 9.800 ( -1.079 -1.569 -0.258) 1.922 9.809 ( 0.887 1.532 0.041) 1.771 9.844 ( 0.755 -1.939 0.281) 2.100 10.070 ( -0.075 0.205 0.251) 0.333 10.074 ( 0.050 -0.209 -0.181) 0.281 10.219 ( 0.090 0.644 0.168) 0.672 10.225 ( 0.239 -0.007 -0.202) 0.313 12.637 ( 0.503 0.193 0.045) 0.541 12.641 ( 0.660 -0.254 -0.060) 0.709 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 8.085 0.070 1.733) 8.269 0.809 ( 6.414 -3.072 1.545) 7.277 1.041 ( -0.673 4.728 0.200) 4.780 1.097 ( 0.090 -0.502 -0.479) 0.699 1.398 ( -0.431 5.182 -1.564) 5.430 1.501 ( 1.489 -5.486 -0.330) 5.694 1.696 ( -1.521 7.289 -2.278) 7.786 1.759 ( 2.759 1.617 1.194) 3.414 1.925 ( 4.870 2.304 2.107) 5.785 1.986 ( 2.022 1.773 2.032) 3.371 2.061 ( 1.805 3.166 0.072) 3.645 2.160 ( 1.228 -2.598 0.445) 2.908 2.348 ( -4.179 2.711 3.672) 6.189 2.354 ( -6.664 -2.419 -1.658) 7.281 2.524 ( -3.354 -4.266 -4.983) 7.367 2.555 ( -3.326 -6.087 1.757) 7.156 2.621 ( -4.298 2.102 4.477) 6.553 2.673 ( -2.479 -2.129 4.286) 5.389 2.739 ( -2.335 -0.366 1.368) 2.731 2.775 ( -3.465 -3.198 0.555) 4.748 3.007 ( 2.117 2.808 -4.194) 5.474 3.062 ( 1.567 -2.242 -3.025) 4.079 3.193 ( -3.569 1.834 0.876) 4.107 3.220 ( -1.450 4.084 -4.727) 6.413 3.259 ( -3.237 0.904 2.529) 4.206 3.374 ( -2.698 -1.501 -1.449) 3.411 3.418 ( 1.058 1.739 0.724) 2.161 3.461 ( 2.191 -0.351 -2.924) 3.671 3.481 ( -2.220 -1.757 2.044) 3.492 3.549 ( -0.649 -4.385 -3.057) 5.384 3.671 ( 8.600 5.797 3.176) 10.847 3.751 ( 2.753 -2.223 2.614) 4.399 3.852 ( 0.442 3.888 -1.468) 4.179 3.925 ( -0.544 -3.331 -0.044) 3.376 4.064 ( 1.053 5.584 1.624) 5.910 4.148 ( -0.975 -3.004 -1.088) 3.340 4.182 ( 0.281 4.161 0.651) 4.221 4.278 ( 2.126 -0.452 1.693) 2.755 4.286 ( 1.276 -1.372 1.096) 2.170 4.354 ( 1.911 -6.572 6.941) 9.748 4.579 ( 0.634 2.740 -1.981) 3.440 4.636 ( 1.885 -2.749 -6.621) 7.413 5.219 ( 0.468 2.755 -1.272) 3.071 5.261 ( 0.748 1.009 0.495) 1.350 5.281 ( 0.410 -0.930 -1.696) 1.977 5.319 ( 0.244 -2.599 -0.472) 2.653 6.111 ( -1.087 0.530 0.126) 1.216 6.130 ( -1.438 -1.178 -0.115) 1.862 6.209 ( -2.215 0.186 -1.742) 2.824 6.251 ( -2.034 -4.123 -3.286) 5.652 6.455 ( 0.549 4.444 4.590) 6.412 6.545 ( 0.779 -4.628 3.900) 6.102 6.643 ( 2.163 1.313 -0.278) 2.546 6.663 ( 3.059 -0.964 0.169) 3.211 6.788 ( 2.590 1.961 -2.715) 4.233 6.809 ( 2.518 0.397 -1.893) 3.175 6.993 ( -0.189 3.094 -0.471) 3.135 7.049 ( -3.337 -1.478 -1.751) 4.048 7.138 ( 1.729 1.542 0.291) 2.335 7.192 ( 1.982 -3.190 -2.136) 4.321 7.353 ( 0.076 2.755 -2.054) 3.437 7.412 ( -0.413 -3.161 0.663) 3.256 7.623 ( -2.206 2.861 3.013) 4.705 7.678 ( -2.436 -2.663 1.978) 4.116 7.806 ( 0.650 3.477 0.515) 3.575 7.863 ( 0.700 -2.040 -0.945) 2.355 8.174 ( -4.094 2.597 3.412) 5.928 8.233 ( -2.616 -3.664 4.087) 6.081 8.346 ( -2.114 2.687 -2.548) 4.264 8.437 ( -1.415 -6.345 -1.798) 6.745 8.874 ( -0.880 0.413 0.994) 1.390 8.878 ( -0.607 0.080 0.209) 0.647 8.949 ( -1.655 1.088 -0.441) 2.030 8.964 ( -1.350 -0.362 -1.759) 2.247 9.768 ( 0.153 1.003 0.293) 1.056 9.789 ( 0.093 -1.167 0.297) 1.208 9.820 ( 0.207 1.557 -0.224) 1.586 9.850 ( -0.121 -1.520 -0.042) 1.525 10.069 ( -0.109 0.230 0.157) 0.299 10.073 ( 0.011 -0.233 -0.239) 0.334 10.222 ( 0.089 0.683 0.137) 0.702 10.227 ( 0.095 0.088 -0.231) 0.265 12.649 ( 0.741 0.324 0.028) 0.810 12.655 ( 0.699 -0.196 -0.037) 0.727 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 -0.60) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 5.331 1.746 1.342) 5.768 0.935 ( 6.141 -0.294 1.007) 6.230 1.019 ( -1.532 3.089 -0.025) 3.448 1.065 ( -3.104 -1.031 -0.800) 3.367 1.409 ( 2.029 5.878 1.053) 6.306 1.528 ( 0.446 -5.234 0.951) 5.339 1.646 ( -1.200 3.964 -5.458) 6.851 1.748 ( -2.832 -5.523 -4.145) 7.463 2.020 ( 0.477 3.446 6.262) 7.164 2.050 ( 4.821 2.113 3.565) 6.357 2.115 ( 3.992 5.108 -3.682) 7.455 2.180 ( -0.248 4.608 6.991) 8.377 2.247 ( -4.313 -3.465 -2.157) 5.938 2.292 ( -3.315 -0.053 1.114) 3.498 2.449 ( -1.751 -4.478 -0.477) 4.832 2.484 ( -5.853 -5.028 1.443) 7.851 2.607 ( 1.313 0.915 3.643) 3.979 2.670 ( 1.967 -3.820 0.489) 4.325 2.723 ( -1.024 -1.331 1.163) 2.042 2.731 ( -1.642 -2.843 1.622) 3.663 2.989 ( -1.395 2.100 -3.930) 4.670 3.054 ( -2.394 -4.466 -4.327) 6.664 3.157 ( 1.995 2.248 -1.362) 3.300 3.194 ( -3.573 2.983 0.717) 4.710 3.213 ( 2.729 -1.231 -1.590) 3.390 3.308 ( -3.192 -4.676 -2.414) 6.154 3.422 ( -1.197 0.554 5.252) 5.415 3.440 ( -2.366 -1.800 3.978) 4.967 3.500 ( 2.344 1.013 -3.859) 4.627 3.534 ( 0.530 -1.963 -3.830) 4.336 3.802 ( 1.958 1.588 3.915) 4.656 3.816 ( 1.958 0.014 2.264) 2.993 3.866 ( 1.681 2.458 -1.696) 3.427 3.909 ( -0.564 -1.753 -2.297) 2.944 4.075 ( 0.190 2.938 0.517) 2.989 4.113 ( -1.828 -1.113 -0.977) 2.353 4.243 ( 4.765 5.843 3.125) 8.162 4.300 ( -1.115 3.303 3.030) 4.619 4.332 ( 2.035 -0.825 2.446) 3.287 4.394 ( 0.311 -3.526 3.123) 4.720 4.566 ( -0.776 3.243 -2.368) 4.090 4.632 ( 1.371 -2.787 -7.036) 7.691 5.228 ( 0.818 3.270 -0.404) 3.394 5.263 ( -0.432 2.860 -1.187) 3.127 5.286 ( 0.676 -2.580 -0.336) 2.689 5.313 ( -0.382 -2.278 -1.005) 2.519 6.097 ( -0.350 0.812 0.213) 0.910 6.107 ( -0.825 0.126 -0.038) 0.836 6.172 ( -1.010 -0.954 -0.636) 1.528 6.206 ( -0.973 -4.319 -3.043) 5.372 6.486 ( 0.081 3.522 5.489) 6.523 6.553 ( -1.429 -3.164 3.552) 4.966 6.663 ( 0.800 2.359 -2.318) 3.403 6.697 ( 1.448 -0.907 -3.179) 3.609 6.852 ( 4.047 1.505 -0.801) 4.391 6.871 ( 3.927 -0.056 -1.008) 4.055 6.962 ( -3.295 1.649 0.316) 3.698 6.968 ( -3.124 1.794 -0.215) 3.609 7.184 ( 2.349 1.031 -0.539) 2.621 7.225 ( 2.015 -2.385 -3.891) 4.989 7.348 ( 0.458 0.340 -0.118) 0.582 7.379 ( -2.895 -2.433 0.595) 3.828 7.620 ( 0.341 1.285 2.553) 2.878 7.655 ( -0.678 -2.136 0.590) 2.317 7.819 ( 0.182 2.679 1.308) 2.986 7.860 ( -0.263 -1.323 -1.430) 1.966 8.135 ( -2.080 3.625 5.543) 6.941 8.220 ( -1.000 -4.161 3.797) 5.721 8.303 ( -0.510 1.134 -2.340) 2.650 8.397 ( -1.288 -7.217 -3.381) 8.073 8.862 ( -1.007 0.668 1.435) 1.876 8.873 ( -0.337 -0.319 0.370) 0.594 8.923 ( -0.549 0.933 -0.794) 1.343 8.938 ( -0.112 -0.547 -2.078) 2.151 9.779 ( 0.699 1.247 0.751) 1.615 9.802 ( 0.811 -1.034 0.740) 1.508 9.815 ( -0.406 1.267 -0.532) 1.433 9.840 ( -0.704 -1.229 -0.470) 1.493 10.067 ( -0.169 0.267 0.254) 0.406 10.073 ( 0.092 -0.269 -0.357) 0.456 10.223 ( -0.021 0.691 0.144) 0.706 10.227 ( 0.001 0.268 -0.196) 0.332 12.661 ( 0.384 0.278 0.062) 0.478 12.664 ( 0.251 0.000 -0.060) 0.258 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -4.600 2.231 0.369) 5.126 0.959 ( -5.245 -0.717 -1.071) 5.401 1.028 ( 2.334 2.536 -0.811) 3.541 1.057 ( 4.232 -0.181 -0.192) 4.240 1.424 ( -3.819 6.333 1.783) 7.607 1.526 ( 1.151 -1.061 -0.515) 1.648 1.615 ( -0.374 1.982 -1.310) 2.405 1.724 ( 4.099 -6.249 -3.683) 8.332 1.999 ( -6.030 4.843 4.514) 8.956 2.097 ( -2.995 -1.638 3.631) 4.984 2.126 ( -0.763 3.779 -1.948) 4.319 2.168 ( -1.260 1.918 -0.777) 2.423 2.217 ( -1.422 1.237 3.804) 4.245 2.305 ( 4.202 -2.380 4.648) 6.703 2.412 ( -0.278 -1.484 0.824) 1.720 2.490 ( 4.429 -5.106 0.565) 6.783 2.607 ( -2.691 1.242 3.151) 4.326 2.684 ( -0.876 -5.456 -0.203) 5.530 2.745 ( 4.300 0.890 -1.036) 4.512 2.779 ( 4.599 -2.514 -0.771) 5.298 2.969 ( -0.034 -1.214 2.020) 2.357 2.979 ( -2.308 -2.073 -4.010) 5.070 3.150 ( -0.073 2.740 -1.175) 2.983 3.201 ( 0.183 3.952 -0.128) 3.958 3.230 ( -1.351 -4.163 -1.553) 4.644 3.275 ( 2.631 -2.944 0.588) 3.992 3.423 ( -1.380 -0.487 3.313) 3.622 3.437 ( -0.736 -2.002 4.393) 4.883 3.514 ( 1.552 0.610 -2.922) 3.364 3.533 ( 1.683 -0.765 -4.456) 4.825 3.804 ( -2.839 1.917 3.264) 4.731 3.815 ( -4.155 1.737 2.773) 5.289 3.875 ( -0.357 0.488 -1.574) 1.686 3.899 ( 1.719 -2.229 -2.375) 3.683 4.067 ( -1.211 2.410 0.921) 2.851 4.107 ( 1.332 -1.676 -0.364) 2.172 4.261 ( -3.703 5.686 1.685) 6.992 4.315 ( 0.509 -0.098 1.249) 1.352 4.370 ( 0.319 1.858 0.690) 2.008 4.422 ( 1.524 -2.312 0.929) 2.920 4.548 ( 1.336 4.095 -2.392) 4.927 4.624 ( 1.277 -3.231 -6.268) 7.166 5.237 ( -0.982 3.174 -0.743) 3.404 5.244 ( 0.213 3.241 -0.282) 3.260 5.294 ( -0.519 -2.649 -0.284) 2.714 5.300 ( 0.118 -2.286 -0.215) 2.299 6.100 ( 0.359 0.626 0.126) 0.732 6.103 ( 0.631 0.618 0.089) 0.887 6.168 ( 0.512 -1.911 0.694) 2.097 6.187 ( 0.324 -3.698 -2.060) 4.245 6.503 ( -1.167 2.729 4.686) 5.546 6.552 ( 0.048 -2.085 2.939) 3.604 6.657 ( 0.067 3.034 -2.271) 3.790 6.706 ( 1.597 -1.733 -3.953) 4.602 6.839 ( -5.219 1.153 0.768) 5.399 6.851 ( -4.722 -0.174 0.240) 4.731 6.967 ( 2.649 1.903 0.026) 3.262 6.977 ( 3.490 1.655 -0.859) 3.957 7.194 ( -0.786 0.516 -1.066) 1.421 7.211 ( -1.577 -1.617 -2.906) 3.681 7.341 ( -0.664 0.862 0.459) 1.181 7.381 ( 2.251 -2.776 0.513) 3.611 7.650 ( 1.535 0.232 0.158) 1.561 7.664 ( 2.061 -0.919 -0.769) 2.384 7.821 ( -0.858 1.729 1.634) 2.529 7.846 ( -0.399 -0.885 -0.914) 1.333 8.155 ( 0.924 4.196 6.399) 7.708 8.219 ( 0.186 0.163 -0.649) 0.694 8.321 ( 1.991 -4.221 1.519) 4.908 8.370 ( 0.985 -6.661 -4.247) 7.961 8.852 ( -0.844 0.928 1.751) 2.154 8.866 ( -0.630 -0.574 1.152) 1.433 8.927 ( 1.470 1.009 -1.258) 2.182 8.945 ( 1.814 -0.762 -2.144) 2.910 9.795 ( -0.383 1.274 -0.221) 1.348 9.799 ( 0.293 1.399 0.136) 1.436 9.820 ( -0.788 -1.045 -0.360) 1.358 9.828 ( 0.725 -1.320 0.540) 1.600 10.065 ( -0.165 0.404 0.303) 0.531 10.074 ( 0.176 -0.439 -0.326) 0.574 10.223 ( -0.084 0.682 0.201) 0.716 10.226 ( -0.018 0.336 -0.144) 0.366 12.661 ( -0.434 0.299 0.075) 0.533 12.664 ( -0.213 -0.022 -0.066) 0.224 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -7.467 0.189 -1.137) 7.556 0.835 ( -6.803 -2.672 -1.159) 7.400 1.052 ( 0.482 5.219 -0.947) 5.326 1.110 ( 1.482 -0.639 -1.716) 2.355 1.366 ( -1.716 8.328 1.586) 8.650 1.498 ( -2.512 -4.511 0.688) 5.209 1.676 ( 4.868 7.445 -1.017) 8.953 1.777 ( 0.850 -1.226 -1.012) 1.803 1.889 ( -5.399 6.509 2.850) 8.924 2.042 ( -3.826 -2.015 -1.221) 4.493 2.081 ( -1.241 0.429 -1.275) 1.830 2.136 ( -3.241 -2.233 1.158) 4.103 2.255 ( 2.610 2.434 7.785) 8.564 2.390 ( 4.086 -9.022 6.801) 12.014 2.474 ( 3.844 2.620 -3.996) 6.133 2.525 ( -0.402 -2.718 2.386) 3.639 2.662 ( 6.860 2.166 3.331) 7.928 2.711 ( 3.972 -2.597 0.070) 4.746 2.809 ( 1.804 0.224 -4.906) 5.232 2.818 ( 1.938 0.064 -2.732) 3.351 2.940 ( -1.085 0.715 0.374) 1.352 2.982 ( -1.028 -3.313 4.529) 5.704 3.148 ( -2.041 4.350 1.487) 5.030 3.190 ( 3.278 0.240 -0.636) 3.348 3.277 ( 2.390 2.869 3.118) 4.865 3.311 ( 0.592 0.017 2.412) 2.484 3.405 ( -0.457 -2.707 0.033) 2.745 3.441 ( -0.223 -4.402 1.154) 4.556 3.529 ( 0.407 0.571 -1.740) 1.876 3.549 ( 1.400 -1.349 -3.253) 3.790 3.702 ( -7.359 3.821 0.607) 8.314 3.757 ( -3.107 -1.666 2.351) 4.237 3.852 ( -0.507 3.368 -1.969) 3.934 3.925 ( 1.056 -4.238 0.077) 4.368 4.062 ( -0.293 3.416 1.073) 3.593 4.119 ( -0.532 -2.254 1.144) 2.583 4.213 ( -1.145 5.133 -0.518) 5.285 4.295 ( -2.330 -1.653 -0.105) 2.858 4.344 ( -1.551 1.373 -4.008) 4.511 4.427 ( -1.549 -6.549 1.572) 6.911 4.594 ( 3.696 1.180 -3.867) 5.478 4.607 ( -0.431 -0.773 -5.116) 5.192 5.209 ( -1.117 3.148 -0.326) 3.356 5.250 ( -0.121 1.710 1.096) 2.034 5.275 ( -0.813 -1.713 -0.810) 2.062 5.307 ( 0.170 -2.460 0.599) 2.538 6.114 ( 1.049 0.305 -0.108) 1.098 6.125 ( 1.306 -0.375 0.348) 1.403 6.194 ( 1.677 -2.009 0.276) 2.631 6.203 ( 2.032 -2.627 0.829) 3.423 6.493 ( -1.408 3.570 1.204) 4.022 6.558 ( -1.572 -3.105 2.362) 4.206 6.655 ( 0.288 3.076 -1.481) 3.426 6.703 ( -1.443 -1.905 -2.926) 3.778 6.747 ( -3.216 0.842 0.509) 3.363 6.768 ( -2.944 -0.539 1.418) 3.311 6.986 ( -0.743 2.282 0.252) 2.413 7.028 ( 1.158 -0.849 0.390) 1.488 7.157 ( -1.439 0.560 -1.707) 2.302 7.184 ( 0.709 -0.976 -1.119) 1.646 7.340 ( -0.008 3.490 -0.631) 3.546 7.417 ( 0.974 -3.931 0.413) 4.070 7.680 ( 2.545 1.787 -2.452) 3.960 7.712 ( 3.095 -1.149 -1.206) 3.515 7.803 ( -1.565 2.031 0.808) 2.688 7.836 ( -0.994 -1.365 1.057) 1.991 8.213 ( 1.941 2.565 3.909) 5.063 8.234 ( 1.799 1.670 -0.229) 2.465 8.354 ( 2.171 -2.514 -1.531) 3.658 8.410 ( 3.413 -6.662 -0.587) 7.509 8.852 ( -0.072 1.157 1.907) 2.232 8.867 ( 0.122 -0.500 1.627) 1.706 8.959 ( 2.459 0.982 -1.536) 3.061 8.977 ( 2.573 -0.836 -2.119) 3.436 9.779 ( -0.501 1.080 -0.756) 1.410 9.799 ( -0.575 -0.979 -0.656) 1.311 9.812 ( 0.114 1.605 0.576) 1.709 9.844 ( 0.403 -1.597 0.580) 1.746 10.065 ( -0.074 0.484 0.364) 0.610 10.075 ( 0.101 -0.599 -0.228) 0.649 10.222 ( -0.156 0.616 0.262) 0.688 10.225 ( -0.073 0.312 -0.109) 0.339 12.649 ( -0.768 0.352 0.059) 0.847 12.655 ( -0.676 -0.226 -0.048) 0.715 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-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 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -4.541 -0.655 -2.176) 5.078 0.701 ( -6.515 -2.966 -0.661) 7.189 1.046 ( -0.452 4.656 -0.406) 4.695 1.095 ( -1.795 -0.407 -1.353) 2.284 1.373 ( 0.655 6.032 3.282) 6.898 1.472 ( -0.345 -4.030 -0.349) 4.060 1.714 ( -0.782 5.902 0.264) 5.960 1.764 ( 0.099 3.247 -3.334) 4.655 1.850 ( -0.537 6.130 1.538) 6.343 1.943 ( -4.910 1.019 -3.370) 6.041 2.065 ( -1.734 -2.361 2.231) 3.682 2.094 ( 0.085 -3.254 -1.303) 3.506 2.377 ( 4.948 5.726 10.606) 13.029 2.502 ( 2.651 1.966 -1.247) 3.529 2.528 ( 4.345 -3.093 -1.072) 5.440 2.555 ( 2.024 -7.163 7.933) 10.878 2.744 ( 0.890 9.087 -2.664) 9.511 2.795 ( 2.942 1.740 -2.310) 4.125 2.839 ( 1.587 -2.652 -3.859) 4.944 2.865 ( 8.019 -1.478 2.436) 8.510 2.930 ( 0.040 1.481 1.679) 2.239 2.976 ( -1.298 -2.708 4.119) 5.097 3.150 ( -0.534 2.529 5.145) 5.758 3.203 ( -4.179 -1.572 4.155) 6.099 3.247 ( -4.173 6.837 2.541) 8.404 3.378 ( 2.988 4.192 -1.373) 5.328 3.414 ( -1.330 -1.835 1.359) 2.643 3.427 ( -1.694 -0.737 -5.185) 5.504 3.482 ( -3.242 -2.824 -1.041) 4.423 3.539 ( 2.368 -3.795 0.039) 4.473 3.654 ( 3.117 3.626 0.467) 4.805 3.760 ( 1.509 -5.115 1.352) 5.502 3.829 ( -1.145 6.723 -0.354) 6.829 3.936 ( -0.017 -3.643 -0.265) 3.653 4.061 ( 0.010 0.787 1.560) 1.748 4.104 ( -2.225 -2.473 2.383) 4.092 4.195 ( -0.905 3.090 -1.380) 3.503 4.250 ( -1.661 -0.833 -0.678) 1.978 4.296 ( -1.137 -1.803 -3.837) 4.389 4.371 ( -4.415 -9.964 -2.494) 11.180 4.568 ( -0.971 2.499 -2.814) 3.887 4.624 ( 2.177 -2.895 -6.222) 7.200 5.198 ( -0.053 2.675 0.848) 2.807 5.255 ( -0.339 -2.946 0.272) 2.978 5.258 ( -0.053 2.432 0.399) 2.465 5.308 ( -0.329 -2.640 0.274) 2.675 6.134 ( 0.973 -0.463 0.174) 1.091 6.148 ( 0.939 -1.574 -0.111) 1.836 6.237 ( 2.655 -0.457 0.947) 2.856 6.261 ( 2.960 -2.856 2.057) 4.599 6.459 ( -2.306 3.297 -0.686) 4.081 6.515 ( -3.299 -2.540 -0.350) 4.178 6.621 ( -2.389 0.388 -0.513) 2.474 6.634 ( -3.104 -0.900 -0.964) 3.372 6.754 ( 1.973 0.552 0.023) 2.049 6.763 ( 0.572 0.219 1.119) 1.276 6.966 ( -0.598 1.199 0.228) 1.360 7.006 ( -2.692 -2.577 0.588) 3.773 7.168 ( 1.926 3.122 0.459) 3.697 7.210 ( 1.792 -1.053 1.119) 2.361 7.329 ( -0.260 4.181 -2.351) 4.804 7.415 ( -0.821 -4.430 -1.605) 4.783 7.717 ( 2.446 2.941 -2.559) 4.603 7.756 ( 1.422 -0.014 -1.449) 2.030 7.779 ( -0.495 1.398 0.741) 1.658 7.814 ( -2.139 -1.573 1.845) 3.233 8.258 ( 1.594 1.300 1.325) 2.447 8.270 ( 1.273 0.663 1.065) 1.787 8.397 ( 2.274 0.045 -0.061) 2.275 8.455 ( 1.679 -5.151 -1.627) 5.657 8.866 ( 0.477 1.399 2.089) 2.559 8.884 ( 0.538 -0.470 1.944) 2.071 8.993 ( 1.763 1.100 -2.081) 2.941 9.010 ( 1.865 -0.603 -2.685) 3.324 9.774 ( 0.315 1.057 -0.271) 1.136 9.797 ( 0.642 -1.334 -0.000) 1.481 9.809 ( -0.653 1.789 0.099) 1.907 9.845 ( -0.473 -1.955 0.114) 2.015 10.066 ( 0.019 0.388 0.425) 0.575 10.075 ( -0.022 -0.525 -0.125) 0.540 10.220 ( -0.199 0.561 0.251) 0.646 10.223 ( -0.079 0.246 -0.088) 0.273 12.636 ( -0.529 0.224 0.073) 0.580 12.641 ( -0.623 -0.287 -0.071) 0.690 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/20580 10.0 14.582 13.116 11.327 0.000 1.836 0.000 3/20580 20.0 4.246 3.644 2.955 0.000 0.435 0.000 3/20580 30.0 2.430 2.170 1.719 0.000 0.220 0.000 3/20580 40.0 1.719 1.580 1.263 0.000 0.141 0.000 3/20580 50.0 1.341 1.258 1.019 0.000 0.100 0.000 3/20580 60.0 1.106 1.053 0.863 0.000 0.076 0.000 3/20580 70.0 0.945 0.909 0.754 0.000 0.061 0.000 3/20580 80.0 0.827 0.803 0.672 0.000 0.050 0.000 3/20580 90.0 0.737 0.720 0.607 0.000 0.042 0.000 3/20580 100.0 0.665 0.654 0.555 0.000 0.036 0.000 3/20580 110.0 0.606 0.599 0.512 0.000 0.031 0.000 3/20580 120.0 0.557 0.553 0.475 0.000 0.027 0.000 3/20580 130.0 0.516 0.513 0.443 0.000 0.024 0.000 3/20580 140.0 0.480 0.479 0.415 0.000 0.022 0.000 3/20580 150.0 0.449 0.450 0.391 0.000 0.020 0.000 3/20580 160.0 0.422 0.423 0.369 0.000 0.018 0.000 3/20580 170.0 0.398 0.400 0.350 0.000 0.017 0.000 3/20580 180.0 0.377 0.379 0.332 0.000 0.016 0.000 3/20580 190.0 0.357 0.360 0.316 0.000 0.015 0.000 3/20580 200.0 0.340 0.343 0.302 0.000 0.014 0.000 3/20580 210.0 0.324 0.328 0.288 0.000 0.013 0.000 3/20580 220.0 0.310 0.313 0.276 0.000 0.012 0.000 3/20580 230.0 0.297 0.300 0.265 0.000 0.011 0.000 3/20580 240.0 0.285 0.288 0.255 0.000 0.011 0.000 3/20580 250.0 0.274 0.277 0.245 0.000 0.010 0.000 3/20580 260.0 0.263 0.267 0.236 0.000 0.010 0.000 3/20580 270.0 0.254 0.258 0.228 0.000 0.009 0.000 3/20580 280.0 0.245 0.249 0.220 0.000 0.009 0.000 3/20580 290.0 0.237 0.240 0.213 0.000 0.009 0.000 3/20580 300.0 0.229 0.233 0.206 0.000 0.008 0.000 3/20580 310.0 0.222 0.225 0.200 0.000 0.008 0.000 3/20580 320.0 0.215 0.218 0.194 0.000 0.008 0.000 3/20580 330.0 0.208 0.212 0.188 0.000 0.007 0.000 3/20580 340.0 0.202 0.206 0.183 0.000 0.007 0.000 3/20580 350.0 0.197 0.200 0.178 0.000 0.007 0.000 3/20580 360.0 0.191 0.195 0.173 0.000 0.007 0.000 3/20580 370.0 0.186 0.190 0.169 0.000 0.007 0.000 3/20580 380.0 0.181 0.185 0.165 0.000 0.006 0.000 3/20580 390.0 0.177 0.180 0.160 0.000 0.006 0.000 3/20580 400.0 0.172 0.176 0.157 0.000 0.006 0.000 3/20580 410.0 0.168 0.172 0.153 0.000 0.006 0.000 3/20580 420.0 0.164 0.168 0.149 0.000 0.006 0.000 3/20580 430.0 0.160 0.164 0.146 0.000 0.006 0.000 3/20580 440.0 0.157 0.160 0.143 0.000 0.005 0.000 3/20580 450.0 0.153 0.157 0.140 0.000 0.005 0.000 3/20580 460.0 0.150 0.153 0.137 0.000 0.005 0.000 3/20580 470.0 0.147 0.150 0.134 0.000 0.005 0.000 3/20580 480.0 0.144 0.147 0.131 0.000 0.005 0.000 3/20580 490.0 0.141 0.144 0.128 0.000 0.005 0.000 3/20580 500.0 0.138 0.141 0.126 0.000 0.005 0.000 3/20580 510.0 0.136 0.138 0.124 0.000 0.005 0.000 3/20580 520.0 0.133 0.136 0.121 0.000 0.004 0.000 3/20580 530.0 0.130 0.133 0.119 0.000 0.004 0.000 3/20580 540.0 0.128 0.131 0.117 0.000 0.004 0.000 3/20580 550.0 0.126 0.128 0.115 0.000 0.004 0.000 3/20580 560.0 0.124 0.126 0.113 0.000 0.004 0.000 3/20580 570.0 0.121 0.124 0.111 0.000 0.004 0.000 3/20580 580.0 0.119 0.122 0.109 0.000 0.004 0.000 3/20580 590.0 0.117 0.120 0.107 0.000 0.004 0.000 3/20580 600.0 0.115 0.118 0.105 0.000 0.004 0.000 3/20580 610.0 0.113 0.116 0.104 0.000 0.004 0.000 3/20580 620.0 0.112 0.114 0.102 0.000 0.004 0.000 3/20580 630.0 0.110 0.112 0.100 0.000 0.004 0.000 3/20580 640.0 0.108 0.111 0.099 0.000 0.004 0.000 3/20580 650.0 0.107 0.109 0.097 0.000 0.004 0.000 3/20580 660.0 0.105 0.107 0.096 0.000 0.003 0.000 3/20580 670.0 0.103 0.106 0.094 0.000 0.003 0.000 3/20580 680.0 0.102 0.104 0.093 0.000 0.003 0.000 3/20580 690.0 0.100 0.103 0.092 0.000 0.003 0.000 3/20580 700.0 0.099 0.101 0.090 0.000 0.003 0.000 3/20580 710.0 0.098 0.100 0.089 0.000 0.003 0.000 3/20580 720.0 0.096 0.098 0.088 0.000 0.003 0.000 3/20580 730.0 0.095 0.097 0.087 0.000 0.003 0.000 3/20580 740.0 0.094 0.096 0.086 0.000 0.003 0.000 3/20580 750.0 0.092 0.095 0.084 0.000 0.003 0.000 3/20580 760.0 0.091 0.093 0.083 0.000 0.003 0.000 3/20580 770.0 0.090 0.092 0.082 0.000 0.003 0.000 3/20580 780.0 0.089 0.091 0.081 0.000 0.003 0.000 3/20580 790.0 0.088 0.090 0.080 0.000 0.003 0.000 3/20580 800.0 0.087 0.089 0.079 0.000 0.003 0.000 3/20580 810.0 0.086 0.088 0.078 0.000 0.003 0.000 3/20580 820.0 0.085 0.087 0.077 0.000 0.003 0.000 3/20580 830.0 0.084 0.085 0.076 0.000 0.003 0.000 3/20580 840.0 0.083 0.084 0.076 0.000 0.003 0.000 3/20580 850.0 0.082 0.083 0.075 0.000 0.003 0.000 3/20580 860.0 0.081 0.083 0.074 0.000 0.003 0.000 3/20580 870.0 0.080 0.082 0.073 0.000 0.003 0.000 3/20580 880.0 0.079 0.081 0.072 0.000 0.003 0.000 3/20580 890.0 0.078 0.080 0.071 0.000 0.003 0.000 3/20580 900.0 0.077 0.079 0.071 0.000 0.003 0.000 3/20580 910.0 0.076 0.078 0.070 0.000 0.003 0.000 3/20580 920.0 0.075 0.077 0.069 0.000 0.002 0.000 3/20580 930.0 0.075 0.076 0.068 0.000 0.002 0.000 3/20580 940.0 0.074 0.076 0.068 0.000 0.002 0.000 3/20580 950.0 0.073 0.075 0.067 0.000 0.002 0.000 3/20580 960.0 0.072 0.074 0.066 0.000 0.002 0.000 3/20580 970.0 0.072 0.073 0.065 0.000 0.002 0.000 3/20580 980.0 0.071 0.072 0.065 0.000 0.002 0.000 3/20580 990.0 0.070 0.072 0.064 0.000 0.002 0.000 3/20580 1000.0 0.069 0.071 0.064 0.000 0.002 0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:13:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|