----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:35:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.183629684461605 0.000000000000000 0.000000000000000 b 0.000000000000000 10.761009769999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): *1 Rb 0.38820690325798 0.01146355964892 0.76669046327539 85.468 *2 Rb 0.86193232838222 0.27034004253062 0.50431677877682 85.468 3 Rb 0.86193232838222 0.22965995746938 0.00431677877682 85.468 4 Rb 0.38820690325798 0.48853644035108 0.26669046327539 85.468 5 Rb 0.13806767161778 0.77034004253062 0.99568322122318 85.468 6 Rb 0.13806767161778 0.72965995746938 0.49568322122318 85.468 7 Rb 0.61179309674202 0.98853644035108 0.23330953672461 85.468 8 Rb 0.61179309674202 0.51146355964892 0.73330953672461 85.468 *9 Ag 0.14991112346308 0.96893908732624 0.27412224739876 107.868 10 Ag 0.85008887653692 0.03106091267376 0.72587775260124 107.868 11 Ag 0.14991112346308 0.53106091267376 0.77412224739876 107.868 12 Ag 0.85008887653692 0.46893908732624 0.22587775260124 107.868 *13 Sb 0.31577563804352 0.27827393235537 0.96009692328391 121.760 14 Sb 0.68422436195648 0.72172606764463 0.03990307671609 121.760 15 Sb 0.31577563804352 0.22172606764463 0.46009692328391 121.760 16 Sb 0.68422436195648 0.77827393235537 0.53990307671609 121.760 *17 S 0.64556644388191 0.27576270766641 0.16017899895769 32.065 *18 S 0.18079505116425 0.07623352822938 0.93984492021448 32.065 19 S 0.18079505116425 0.42376647177062 0.43984492021448 32.065 *20 S 0.89226582972847 0.56387435108331 0.05010499195908 32.065 21 S 0.35443355611809 0.72423729233359 0.83982100104231 32.065 22 S 0.10773417027153 0.43612564891669 0.94989500804092 32.065 *23 S 0.32737730084814 0.32125728107074 0.78417647342633 32.065 24 S 0.81920494883575 0.57623352822938 0.56015507978552 32.065 25 S 0.89226582972847 0.93612564891669 0.55010499195908 32.065 26 S 0.64556644388191 0.22423729233359 0.66017899895769 32.065 27 S 0.35443355611809 0.77576270766641 0.33982100104231 32.065 28 S 0.67262269915186 0.82125728107074 0.71582352657367 32.065 29 S 0.81920494883575 0.92376647177062 0.06015507978552 32.065 30 S 0.32737730084814 0.17874271892926 0.28417647342633 32.065 31 S 0.67262269915186 0.67874271892926 0.21582352657367 32.065 32 S 0.10773417027153 0.06387435108331 0.44989500804093 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.183629684461605 0.000000000000000 0.000000000000000 b 0.000000000000000 10.761009769999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): *1 Rb 0.38820690325798 0.01146355964892 0.76669046327539 85.468 > 1 *2 Rb 0.86193232838222 0.27034004253062 0.50431677877682 85.468 > 2 3 Rb 0.86193232838222 0.22965995746938 0.00431677877682 85.468 > 3 4 Rb 0.38820690325798 0.48853644035108 0.26669046327539 85.468 > 4 5 Rb 0.13806767161778 0.77034004253062 0.99568322122318 85.468 > 5 6 Rb 0.13806767161778 0.72965995746938 0.49568322122318 85.468 > 6 7 Rb 0.61179309674202 0.98853644035108 0.23330953672461 85.468 > 7 8 Rb 0.61179309674202 0.51146355964892 0.73330953672461 85.468 > 8 *9 Ag 0.14991112346308 0.96893908732624 0.27412224739876 107.868 > 9 10 Ag 0.85008887653692 0.03106091267376 0.72587775260124 107.868 > 10 11 Ag 0.14991112346308 0.53106091267376 0.77412224739876 107.868 > 11 12 Ag 0.85008887653692 0.46893908732624 0.22587775260124 107.868 > 12 *13 Sb 0.31577563804352 0.27827393235537 0.96009692328391 121.760 > 13 14 Sb 0.68422436195648 0.72172606764463 0.03990307671609 121.760 > 14 15 Sb 0.31577563804352 0.22172606764463 0.46009692328391 121.760 > 15 16 Sb 0.68422436195648 0.77827393235537 0.53990307671609 121.760 > 16 *17 S 0.64556644388191 0.27576270766641 0.16017899895769 32.065 > 17 *18 S 0.18079505116425 0.07623352822938 0.93984492021448 32.065 > 18 19 S 0.18079505116425 0.42376647177062 0.43984492021448 32.065 > 19 *20 S 0.89226582972847 0.56387435108331 0.05010499195908 32.065 > 20 21 S 0.35443355611809 0.72423729233359 0.83982100104231 32.065 > 21 22 S 0.10773417027153 0.43612564891669 0.94989500804092 32.065 > 22 *23 S 0.32737730084814 0.32125728107074 0.78417647342633 32.065 > 23 24 S 0.81920494883575 0.57623352822938 0.56015507978552 32.065 > 24 25 S 0.89226582972847 0.93612564891669 0.55010499195908 32.065 > 25 26 S 0.64556644388191 0.22423729233359 0.66017899895769 32.065 > 26 27 S 0.35443355611809 0.77576270766641 0.33982100104231 32.065 > 27 28 S 0.67262269915186 0.82125728107074 0.71582352657367 32.065 > 28 29 S 0.81920494883575 0.92376647177062 0.06015507978552 32.065 > 29 30 S 0.32737730084814 0.17874271892926 0.28417647342633 32.065 > 30 31 S 0.67262269915186 0.67874271892926 0.21582352657367 32.065 > 31 32 S 0.10773417027153 0.06387435108331 0.44989500804093 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.367259368923211 0.000000000000000 0.000000000000000 b 0.000000000000000 21.522019539999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): *1 Rb 0.19410345162899 0.00573177982446 0.76669046327539 85.468 > 1 2 Rb 0.69410345162899 0.00573177982446 0.76669046327539 85.468 > 1 3 Rb 0.19410345162899 0.50573177982446 0.76669046327539 85.468 > 1 4 Rb 0.69410345162899 0.50573177982446 0.76669046327539 85.468 > 1 *5 Rb 0.43096616419111 0.13517002126531 0.50431677877682 85.468 > 2 6 Rb 0.93096616419111 0.13517002126531 0.50431677877682 85.468 > 2 7 Rb 0.43096616419111 0.63517002126531 0.50431677877682 85.468 > 2 8 Rb 0.93096616419111 0.63517002126531 0.50431677877682 85.468 > 2 9 Rb 0.43096616419111 0.11482997873469 0.00431677877682 85.468 > 3 10 Rb 0.93096616419111 0.11482997873469 0.00431677877682 85.468 > 3 11 Rb 0.43096616419111 0.61482997873469 0.00431677877682 85.468 > 3 12 Rb 0.93096616419111 0.61482997873469 0.00431677877682 85.468 > 3 13 Rb 0.19410345162899 0.24426822017554 0.26669046327539 85.468 > 4 14 Rb 0.69410345162899 0.24426822017554 0.26669046327539 85.468 > 4 15 Rb 0.19410345162899 0.74426822017554 0.26669046327539 85.468 > 4 16 Rb 0.69410345162899 0.74426822017554 0.26669046327539 85.468 > 4 17 Rb 0.06903383580889 0.38517002126531 0.99568322122318 85.468 > 5 18 Rb 0.56903383580889 0.38517002126531 0.99568322122318 85.468 > 5 19 Rb 0.06903383580889 0.88517002126531 0.99568322122318 85.468 > 5 20 Rb 0.56903383580889 0.88517002126531 0.99568322122318 85.468 > 5 21 Rb 0.06903383580889 0.36482997873469 0.49568322122318 85.468 > 6 22 Rb 0.56903383580889 0.36482997873469 0.49568322122318 85.468 > 6 23 Rb 0.06903383580889 0.86482997873469 0.49568322122318 85.468 > 6 24 Rb 0.56903383580889 0.86482997873469 0.49568322122318 85.468 > 6 25 Rb 0.30589654837101 0.49426822017554 0.23330953672461 85.468 > 7 26 Rb 0.80589654837101 0.49426822017554 0.23330953672461 85.468 > 7 27 Rb 0.30589654837101 0.99426822017554 0.23330953672461 85.468 > 7 28 Rb 0.80589654837101 0.99426822017554 0.23330953672461 85.468 > 7 29 Rb 0.30589654837101 0.25573177982446 0.73330953672461 85.468 > 8 30 Rb 0.80589654837101 0.25573177982446 0.73330953672461 85.468 > 8 31 Rb 0.30589654837101 0.75573177982446 0.73330953672461 85.468 > 8 32 Rb 0.80589654837101 0.75573177982446 0.73330953672461 85.468 > 8 *33 Ag 0.07495556173154 0.48446954366312 0.27412224739876 107.868 > 9 34 Ag 0.57495556173154 0.48446954366312 0.27412224739876 107.868 > 9 35 Ag 0.07495556173154 0.98446954366312 0.27412224739876 107.868 > 9 36 Ag 0.57495556173154 0.98446954366312 0.27412224739876 107.868 > 9 37 Ag 0.42504443826846 0.01553045633688 0.72587775260124 107.868 > 10 38 Ag 0.92504443826846 0.01553045633688 0.72587775260124 107.868 > 10 39 Ag 0.42504443826846 0.51553045633688 0.72587775260124 107.868 > 10 40 Ag 0.92504443826846 0.51553045633688 0.72587775260124 107.868 > 10 41 Ag 0.07495556173154 0.26553045633688 0.77412224739876 107.868 > 11 42 Ag 0.57495556173154 0.26553045633688 0.77412224739876 107.868 > 11 43 Ag 0.07495556173154 0.76553045633688 0.77412224739876 107.868 > 11 44 Ag 0.57495556173154 0.76553045633688 0.77412224739876 107.868 > 11 45 Ag 0.42504443826846 0.23446954366312 0.22587775260124 107.868 > 12 46 Ag 0.92504443826846 0.23446954366312 0.22587775260124 107.868 > 12 47 Ag 0.42504443826846 0.73446954366312 0.22587775260124 107.868 > 12 48 Ag 0.92504443826846 0.73446954366312 0.22587775260124 107.868 > 12 *49 Sb 0.15788781902176 0.13913696617768 0.96009692328391 121.760 > 13 50 Sb 0.65788781902176 0.13913696617768 0.96009692328391 121.760 > 13 51 Sb 0.15788781902176 0.63913696617768 0.96009692328391 121.760 > 13 52 Sb 0.65788781902176 0.63913696617768 0.96009692328391 121.760 > 13 53 Sb 0.34211218097824 0.36086303382232 0.03990307671609 121.760 > 14 54 Sb 0.84211218097824 0.36086303382232 0.03990307671609 121.760 > 14 55 Sb 0.34211218097824 0.86086303382232 0.03990307671609 121.760 > 14 56 Sb 0.84211218097824 0.86086303382232 0.03990307671609 121.760 > 14 57 Sb 0.15788781902176 0.11086303382232 0.46009692328391 121.760 > 15 58 Sb 0.65788781902176 0.11086303382232 0.46009692328391 121.760 > 15 59 Sb 0.15788781902176 0.61086303382232 0.46009692328391 121.760 > 15 60 Sb 0.65788781902176 0.61086303382232 0.46009692328391 121.760 > 15 61 Sb 0.34211218097824 0.38913696617768 0.53990307671609 121.760 > 16 62 Sb 0.84211218097824 0.38913696617768 0.53990307671609 121.760 > 16 63 Sb 0.34211218097824 0.88913696617768 0.53990307671609 121.760 > 16 64 Sb 0.84211218097824 0.88913696617768 0.53990307671609 121.760 > 16 *65 S 0.32278322194096 0.13788135383320 0.16017899895769 32.065 > 17 66 S 0.82278322194096 0.13788135383320 0.16017899895769 32.065 > 17 67 S 0.32278322194096 0.63788135383320 0.16017899895769 32.065 > 17 68 S 0.82278322194096 0.63788135383320 0.16017899895769 32.065 > 17 *69 S 0.09039752558212 0.03811676411469 0.93984492021448 32.065 > 18 70 S 0.59039752558212 0.03811676411469 0.93984492021448 32.065 > 18 71 S 0.09039752558212 0.53811676411469 0.93984492021448 32.065 > 18 72 S 0.59039752558212 0.53811676411469 0.93984492021448 32.065 > 18 73 S 0.09039752558212 0.21188323588531 0.43984492021448 32.065 > 19 74 S 0.59039752558212 0.21188323588531 0.43984492021448 32.065 > 19 75 S 0.09039752558212 0.71188323588531 0.43984492021448 32.065 > 19 76 S 0.59039752558212 0.71188323588531 0.43984492021448 32.065 > 19 *77 S 0.44613291486424 0.28193717554165 0.05010499195908 32.065 > 20 78 S 0.94613291486424 0.28193717554165 0.05010499195908 32.065 > 20 79 S 0.44613291486424 0.78193717554165 0.05010499195908 32.065 > 20 80 S 0.94613291486424 0.78193717554165 0.05010499195908 32.065 > 20 81 S 0.17721677805904 0.36211864616680 0.83982100104231 32.065 > 21 82 S 0.67721677805904 0.36211864616680 0.83982100104231 32.065 > 21 83 S 0.17721677805904 0.86211864616680 0.83982100104231 32.065 > 21 84 S 0.67721677805904 0.86211864616680 0.83982100104231 32.065 > 21 85 S 0.05386708513576 0.21806282445834 0.94989500804092 32.065 > 22 86 S 0.55386708513576 0.21806282445834 0.94989500804092 32.065 > 22 87 S 0.05386708513576 0.71806282445835 0.94989500804092 32.065 > 22 88 S 0.55386708513576 0.71806282445835 0.94989500804092 32.065 > 22 *89 S 0.16368865042407 0.16062864053537 0.78417647342633 32.065 > 23 90 S 0.66368865042407 0.16062864053537 0.78417647342633 32.065 > 23 91 S 0.16368865042407 0.66062864053537 0.78417647342633 32.065 > 23 92 S 0.66368865042407 0.66062864053537 0.78417647342633 32.065 > 23 93 S 0.40960247441788 0.28811676411469 0.56015507978552 32.065 > 24 94 S 0.90960247441788 0.28811676411469 0.56015507978552 32.065 > 24 95 S 0.40960247441788 0.78811676411469 0.56015507978552 32.065 > 24 96 S 0.90960247441788 0.78811676411469 0.56015507978552 32.065 > 24 97 S 0.44613291486424 0.46806282445835 0.55010499195908 32.065 > 25 98 S 0.94613291486424 0.46806282445835 0.55010499195908 32.065 > 25 99 S 0.44613291486424 0.96806282445835 0.55010499195908 32.065 > 25 100 S 0.94613291486424 0.96806282445835 0.55010499195908 32.065 > 25 101 S 0.32278322194096 0.11211864616679 0.66017899895769 32.065 > 26 102 S 0.82278322194096 0.11211864616679 0.66017899895769 32.065 > 26 103 S 0.32278322194096 0.61211864616680 0.66017899895769 32.065 > 26 104 S 0.82278322194096 0.61211864616680 0.66017899895769 32.065 > 26 105 S 0.17721677805904 0.38788135383320 0.33982100104231 32.065 > 27 106 S 0.67721677805904 0.38788135383320 0.33982100104231 32.065 > 27 107 S 0.17721677805904 0.88788135383320 0.33982100104231 32.065 > 27 108 S 0.67721677805904 0.88788135383320 0.33982100104231 32.065 > 27 109 S 0.33631134957593 0.41062864053537 0.71582352657367 32.065 > 28 110 S 0.83631134957593 0.41062864053537 0.71582352657367 32.065 > 28 111 S 0.33631134957593 0.91062864053537 0.71582352657367 32.065 > 28 112 S 0.83631134957593 0.91062864053537 0.71582352657367 32.065 > 28 113 S 0.40960247441788 0.46188323588531 0.06015507978552 32.065 > 29 114 S 0.90960247441788 0.46188323588531 0.06015507978552 32.065 > 29 115 S 0.40960247441788 0.96188323588531 0.06015507978552 32.065 > 29 116 S 0.90960247441788 0.96188323588531 0.06015507978552 32.065 > 29 117 S 0.16368865042407 0.08937135946463 0.28417647342633 32.065 > 30 118 S 0.66368865042407 0.08937135946463 0.28417647342633 32.065 > 30 119 S 0.16368865042407 0.58937135946463 0.28417647342633 32.065 > 30 120 S 0.66368865042407 0.58937135946463 0.28417647342633 32.065 > 30 121 S 0.33631134957593 0.33937135946463 0.21582352657367 32.065 > 31 122 S 0.83631134957593 0.33937135946463 0.21582352657367 32.065 > 31 123 S 0.33631134957593 0.83937135946463 0.21582352657367 32.065 > 31 124 S 0.83631134957593 0.83937135946463 0.21582352657367 32.065 > 31 125 S 0.05386708513576 0.03193717554165 0.44989500804093 32.065 > 32 126 S 0.55386708513576 0.03193717554165 0.44989500804093 32.065 > 32 127 S 0.05386708513576 0.53193717554165 0.44989500804093 32.065 > 32 128 S 0.55386708513576 0.53193717554165 0.44989500804093 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3828152 0.0000000 0.4166299 0.0000000 5.2285899 0.0000000 0.4166305 0.0000000 5.4442079 -------------------------- Born effective charges -------------------------- 1 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 2 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 3 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 4 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 5 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 6 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 7 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 8 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 9 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 10 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 11 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 12 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 13 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 14 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 15 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 16 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 17 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 18 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 19 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 20 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 21 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 22 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 23 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 24 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 25 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 26 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 27 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 28 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 29 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 30 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 31 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 32 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 960 - Time: 2.210 Solver_block: 200 / 960 - Time: 2.179 Solver_block: 300 / 960 - Time: 2.155 Solver_block: 400 / 960 - Time: 2.099 Solver_block: 500 / 960 - Time: 2.173 Solver_block: 600 / 960 - Time: 2.215 Solver_block: 700 / 960 - Time: 2.225 Solver_block: 800 / 960 - Time: 2.173 Solver_block: 900 / 960 - Time: 2.202 Solver_block: 960 / 960 - Time: 1.395 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.402 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:36:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:36:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.183629684461605 0.000000000000000 0.000000000000000 b 0.000000000000000 10.761009769999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): 1 Rb 0.38820690325798 0.01146355964892 0.76669046327539 85.468 2 Rb 0.86193232838222 0.27034004253062 0.50431677877682 85.468 3 Rb 0.86193232838222 0.22965995746938 0.00431677877682 85.468 4 Rb 0.38820690325798 0.48853644035108 0.26669046327539 85.468 5 Rb 0.13806767161778 0.77034004253062 0.99568322122318 85.468 6 Rb 0.13806767161778 0.72965995746938 0.49568322122318 85.468 7 Rb 0.61179309674202 0.98853644035108 0.23330953672461 85.468 8 Rb 0.61179309674202 0.51146355964892 0.73330953672461 85.468 9 Ag 0.14991112346308 0.96893908732624 0.27412224739876 107.868 10 Ag 0.85008887653692 0.03106091267376 0.72587775260124 107.868 11 Ag 0.14991112346308 0.53106091267376 0.77412224739876 107.868 12 Ag 0.85008887653692 0.46893908732624 0.22587775260124 107.868 13 Sb 0.31577563804352 0.27827393235537 0.96009692328391 121.760 14 Sb 0.68422436195648 0.72172606764463 0.03990307671609 121.760 15 Sb 0.31577563804352 0.22172606764463 0.46009692328391 121.760 16 Sb 0.68422436195648 0.77827393235537 0.53990307671609 121.760 17 S 0.64556644388191 0.27576270766641 0.16017899895769 32.065 18 S 0.18079505116425 0.07623352822938 0.93984492021448 32.065 19 S 0.18079505116425 0.42376647177062 0.43984492021448 32.065 20 S 0.89226582972847 0.56387435108331 0.05010499195908 32.065 21 S 0.35443355611809 0.72423729233359 0.83982100104231 32.065 22 S 0.10773417027153 0.43612564891669 0.94989500804092 32.065 23 S 0.32737730084814 0.32125728107074 0.78417647342633 32.065 24 S 0.81920494883575 0.57623352822938 0.56015507978552 32.065 25 S 0.89226582972847 0.93612564891669 0.55010499195908 32.065 26 S 0.64556644388191 0.22423729233359 0.66017899895769 32.065 27 S 0.35443355611809 0.77576270766641 0.33982100104231 32.065 28 S 0.67262269915186 0.82125728107074 0.71582352657367 32.065 29 S 0.81920494883575 0.92376647177062 0.06015507978552 32.065 30 S 0.32737730084814 0.17874271892926 0.28417647342633 32.065 31 S 0.67262269915186 0.67874271892926 0.21582352657367 32.065 32 S 0.10773417027153 0.06387435108331 0.44989500804093 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.367259368923211 0.000000000000000 0.000000000000000 b 0.000000000000000 21.522019539999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): 1 Rb 0.19410345162899 0.00573177982446 0.76669046327539 85.468 > 1 2 Rb 0.69410345162899 0.00573177982446 0.76669046327539 85.468 > 1 3 Rb 0.19410345162899 0.50573177982446 0.76669046327539 85.468 > 1 4 Rb 0.69410345162899 0.50573177982446 0.76669046327539 85.468 > 1 5 Rb 0.43096616419111 0.13517002126531 0.50431677877682 85.468 > 5 6 Rb 0.93096616419111 0.13517002126531 0.50431677877682 85.468 > 5 7 Rb 0.43096616419111 0.63517002126531 0.50431677877682 85.468 > 5 8 Rb 0.93096616419111 0.63517002126531 0.50431677877682 85.468 > 5 9 Rb 0.43096616419111 0.11482997873469 0.00431677877682 85.468 > 9 10 Rb 0.93096616419111 0.11482997873469 0.00431677877682 85.468 > 9 11 Rb 0.43096616419111 0.61482997873469 0.00431677877682 85.468 > 9 12 Rb 0.93096616419111 0.61482997873469 0.00431677877682 85.468 > 9 13 Rb 0.19410345162899 0.24426822017554 0.26669046327539 85.468 > 13 14 Rb 0.69410345162899 0.24426822017554 0.26669046327539 85.468 > 13 15 Rb 0.19410345162899 0.74426822017554 0.26669046327539 85.468 > 13 16 Rb 0.69410345162899 0.74426822017554 0.26669046327539 85.468 > 13 17 Rb 0.06903383580889 0.38517002126531 0.99568322122318 85.468 > 17 18 Rb 0.56903383580889 0.38517002126531 0.99568322122318 85.468 > 17 19 Rb 0.06903383580889 0.88517002126531 0.99568322122318 85.468 > 17 20 Rb 0.56903383580889 0.88517002126531 0.99568322122318 85.468 > 17 21 Rb 0.06903383580889 0.36482997873469 0.49568322122318 85.468 > 21 22 Rb 0.56903383580889 0.36482997873469 0.49568322122318 85.468 > 21 23 Rb 0.06903383580889 0.86482997873469 0.49568322122318 85.468 > 21 24 Rb 0.56903383580889 0.86482997873469 0.49568322122318 85.468 > 21 25 Rb 0.30589654837101 0.49426822017554 0.23330953672461 85.468 > 25 26 Rb 0.80589654837101 0.49426822017554 0.23330953672461 85.468 > 25 27 Rb 0.30589654837101 0.99426822017554 0.23330953672461 85.468 > 25 28 Rb 0.80589654837101 0.99426822017554 0.23330953672461 85.468 > 25 29 Rb 0.30589654837101 0.25573177982446 0.73330953672461 85.468 > 29 30 Rb 0.80589654837101 0.25573177982446 0.73330953672461 85.468 > 29 31 Rb 0.30589654837101 0.75573177982446 0.73330953672461 85.468 > 29 32 Rb 0.80589654837101 0.75573177982446 0.73330953672461 85.468 > 29 33 Ag 0.07495556173154 0.48446954366312 0.27412224739876 107.868 > 33 34 Ag 0.57495556173154 0.48446954366312 0.27412224739876 107.868 > 33 35 Ag 0.07495556173154 0.98446954366312 0.27412224739876 107.868 > 33 36 Ag 0.57495556173154 0.98446954366312 0.27412224739876 107.868 > 33 37 Ag 0.42504443826846 0.01553045633688 0.72587775260124 107.868 > 37 38 Ag 0.92504443826846 0.01553045633688 0.72587775260124 107.868 > 37 39 Ag 0.42504443826846 0.51553045633688 0.72587775260124 107.868 > 37 40 Ag 0.92504443826846 0.51553045633688 0.72587775260124 107.868 > 37 41 Ag 0.07495556173154 0.26553045633688 0.77412224739876 107.868 > 41 42 Ag 0.57495556173154 0.26553045633688 0.77412224739876 107.868 > 41 43 Ag 0.07495556173154 0.76553045633688 0.77412224739876 107.868 > 41 44 Ag 0.57495556173154 0.76553045633688 0.77412224739876 107.868 > 41 45 Ag 0.42504443826846 0.23446954366312 0.22587775260124 107.868 > 45 46 Ag 0.92504443826846 0.23446954366312 0.22587775260124 107.868 > 45 47 Ag 0.42504443826846 0.73446954366312 0.22587775260124 107.868 > 45 48 Ag 0.92504443826846 0.73446954366312 0.22587775260124 107.868 > 45 49 Sb 0.15788781902176 0.13913696617768 0.96009692328391 121.760 > 49 50 Sb 0.65788781902176 0.13913696617768 0.96009692328391 121.760 > 49 51 Sb 0.15788781902176 0.63913696617768 0.96009692328391 121.760 > 49 52 Sb 0.65788781902176 0.63913696617768 0.96009692328391 121.760 > 49 53 Sb 0.34211218097824 0.36086303382232 0.03990307671609 121.760 > 53 54 Sb 0.84211218097824 0.36086303382232 0.03990307671609 121.760 > 53 55 Sb 0.34211218097824 0.86086303382232 0.03990307671609 121.760 > 53 56 Sb 0.84211218097824 0.86086303382232 0.03990307671609 121.760 > 53 57 Sb 0.15788781902176 0.11086303382232 0.46009692328391 121.760 > 57 58 Sb 0.65788781902176 0.11086303382232 0.46009692328391 121.760 > 57 59 Sb 0.15788781902176 0.61086303382232 0.46009692328391 121.760 > 57 60 Sb 0.65788781902176 0.61086303382232 0.46009692328391 121.760 > 57 61 Sb 0.34211218097824 0.38913696617768 0.53990307671609 121.760 > 61 62 Sb 0.84211218097824 0.38913696617768 0.53990307671609 121.760 > 61 63 Sb 0.34211218097824 0.88913696617768 0.53990307671609 121.760 > 61 64 Sb 0.84211218097824 0.88913696617768 0.53990307671609 121.760 > 61 65 S 0.32278322194096 0.13788135383320 0.16017899895769 32.065 > 65 66 S 0.82278322194096 0.13788135383320 0.16017899895769 32.065 > 65 67 S 0.32278322194096 0.63788135383320 0.16017899895769 32.065 > 65 68 S 0.82278322194096 0.63788135383320 0.16017899895769 32.065 > 65 69 S 0.09039752558212 0.03811676411469 0.93984492021448 32.065 > 69 70 S 0.59039752558212 0.03811676411469 0.93984492021448 32.065 > 69 71 S 0.09039752558212 0.53811676411469 0.93984492021448 32.065 > 69 72 S 0.59039752558212 0.53811676411469 0.93984492021448 32.065 > 69 73 S 0.09039752558212 0.21188323588531 0.43984492021448 32.065 > 73 74 S 0.59039752558212 0.21188323588531 0.43984492021448 32.065 > 73 75 S 0.09039752558212 0.71188323588531 0.43984492021448 32.065 > 73 76 S 0.59039752558212 0.71188323588531 0.43984492021448 32.065 > 73 77 S 0.44613291486424 0.28193717554165 0.05010499195908 32.065 > 77 78 S 0.94613291486424 0.28193717554165 0.05010499195908 32.065 > 77 79 S 0.44613291486424 0.78193717554165 0.05010499195908 32.065 > 77 80 S 0.94613291486424 0.78193717554165 0.05010499195908 32.065 > 77 81 S 0.17721677805904 0.36211864616680 0.83982100104231 32.065 > 81 82 S 0.67721677805904 0.36211864616680 0.83982100104231 32.065 > 81 83 S 0.17721677805904 0.86211864616680 0.83982100104231 32.065 > 81 84 S 0.67721677805904 0.86211864616680 0.83982100104231 32.065 > 81 85 S 0.05386708513576 0.21806282445834 0.94989500804092 32.065 > 85 86 S 0.55386708513576 0.21806282445834 0.94989500804092 32.065 > 85 87 S 0.05386708513576 0.71806282445835 0.94989500804092 32.065 > 85 88 S 0.55386708513576 0.71806282445835 0.94989500804092 32.065 > 85 89 S 0.16368865042407 0.16062864053537 0.78417647342633 32.065 > 89 90 S 0.66368865042407 0.16062864053537 0.78417647342633 32.065 > 89 91 S 0.16368865042407 0.66062864053537 0.78417647342633 32.065 > 89 92 S 0.66368865042407 0.66062864053537 0.78417647342633 32.065 > 89 93 S 0.40960247441788 0.28811676411469 0.56015507978552 32.065 > 93 94 S 0.90960247441788 0.28811676411469 0.56015507978552 32.065 > 93 95 S 0.40960247441788 0.78811676411469 0.56015507978552 32.065 > 93 96 S 0.90960247441788 0.78811676411469 0.56015507978552 32.065 > 93 97 S 0.44613291486424 0.46806282445835 0.55010499195908 32.065 > 97 98 S 0.94613291486424 0.46806282445835 0.55010499195908 32.065 > 97 99 S 0.44613291486424 0.96806282445835 0.55010499195908 32.065 > 97 100 S 0.94613291486424 0.96806282445835 0.55010499195908 32.065 > 97 101 S 0.32278322194096 0.11211864616679 0.66017899895769 32.065 > 101 102 S 0.82278322194096 0.11211864616679 0.66017899895769 32.065 > 101 103 S 0.32278322194096 0.61211864616680 0.66017899895769 32.065 > 101 104 S 0.82278322194096 0.61211864616680 0.66017899895769 32.065 > 101 105 S 0.17721677805904 0.38788135383320 0.33982100104231 32.065 > 105 106 S 0.67721677805904 0.38788135383320 0.33982100104231 32.065 > 105 107 S 0.17721677805904 0.88788135383320 0.33982100104231 32.065 > 105 108 S 0.67721677805904 0.88788135383320 0.33982100104231 32.065 > 105 109 S 0.33631134957593 0.41062864053537 0.71582352657367 32.065 > 109 110 S 0.83631134957593 0.41062864053537 0.71582352657367 32.065 > 109 111 S 0.33631134957593 0.91062864053537 0.71582352657367 32.065 > 109 112 S 0.83631134957593 0.91062864053537 0.71582352657367 32.065 > 109 113 S 0.40960247441788 0.46188323588531 0.06015507978552 32.065 > 113 114 S 0.90960247441788 0.46188323588531 0.06015507978552 32.065 > 113 115 S 0.40960247441788 0.96188323588531 0.06015507978552 32.065 > 113 116 S 0.90960247441788 0.96188323588531 0.06015507978552 32.065 > 113 117 S 0.16368865042407 0.08937135946463 0.28417647342633 32.065 > 117 118 S 0.66368865042407 0.08937135946463 0.28417647342633 32.065 > 117 119 S 0.16368865042407 0.58937135946463 0.28417647342633 32.065 > 117 120 S 0.66368865042407 0.58937135946463 0.28417647342633 32.065 > 117 121 S 0.33631134957593 0.33937135946463 0.21582352657367 32.065 > 121 122 S 0.83631134957593 0.33937135946463 0.21582352657367 32.065 > 121 123 S 0.33631134957593 0.83937135946463 0.21582352657367 32.065 > 121 124 S 0.83631134957593 0.83937135946463 0.21582352657367 32.065 > 121 125 S 0.05386708513576 0.03193717554165 0.44989500804093 32.065 > 125 126 S 0.55386708513576 0.03193717554165 0.44989500804093 32.065 > 125 127 S 0.05386708513576 0.53193717554165 0.44989500804093 32.065 > 125 128 S 0.55386708513576 0.53193717554165 0.44989500804093 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3828152 0.0000000 0.4166299 0.0000000 5.2285899 0.0000000 0.4166305 0.0000000 5.4442079 -------------------------- Born effective charges -------------------------- 1 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 2 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 3 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 4 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 5 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 6 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 7 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 8 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 9 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 10 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 11 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 12 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 13 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 14 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 15 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 16 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 17 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 18 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 19 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 20 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 21 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 22 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 23 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 24 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 25 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 26 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 27 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 28 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 29 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 30 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 31 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 32 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 5, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 69, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:37:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:37:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.183629684461605 0.000000000000000 0.000000000000000 b 0.000000000000000 10.761009769999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): 1 Rb 0.38820690325798 0.01146355964892 0.76669046327539 85.468 2 Rb 0.86193232838222 0.27034004253062 0.50431677877682 85.468 3 Rb 0.86193232838222 0.22965995746938 0.00431677877682 85.468 4 Rb 0.38820690325798 0.48853644035108 0.26669046327539 85.468 5 Rb 0.13806767161778 0.77034004253062 0.99568322122318 85.468 6 Rb 0.13806767161778 0.72965995746938 0.49568322122318 85.468 7 Rb 0.61179309674202 0.98853644035108 0.23330953672461 85.468 8 Rb 0.61179309674202 0.51146355964892 0.73330953672461 85.468 9 Ag 0.14991112346308 0.96893908732624 0.27412224739876 107.868 10 Ag 0.85008887653692 0.03106091267376 0.72587775260124 107.868 11 Ag 0.14991112346308 0.53106091267376 0.77412224739876 107.868 12 Ag 0.85008887653692 0.46893908732624 0.22587775260124 107.868 13 Sb 0.31577563804352 0.27827393235537 0.96009692328391 121.760 14 Sb 0.68422436195648 0.72172606764463 0.03990307671609 121.760 15 Sb 0.31577563804352 0.22172606764463 0.46009692328391 121.760 16 Sb 0.68422436195648 0.77827393235537 0.53990307671609 121.760 17 S 0.64556644388191 0.27576270766641 0.16017899895769 32.065 18 S 0.18079505116425 0.07623352822938 0.93984492021448 32.065 19 S 0.18079505116425 0.42376647177062 0.43984492021448 32.065 20 S 0.89226582972847 0.56387435108331 0.05010499195908 32.065 21 S 0.35443355611809 0.72423729233359 0.83982100104231 32.065 22 S 0.10773417027153 0.43612564891669 0.94989500804092 32.065 23 S 0.32737730084814 0.32125728107074 0.78417647342633 32.065 24 S 0.81920494883575 0.57623352822938 0.56015507978552 32.065 25 S 0.89226582972847 0.93612564891669 0.55010499195908 32.065 26 S 0.64556644388191 0.22423729233359 0.66017899895769 32.065 27 S 0.35443355611809 0.77576270766641 0.33982100104231 32.065 28 S 0.67262269915186 0.82125728107074 0.71582352657367 32.065 29 S 0.81920494883575 0.92376647177062 0.06015507978552 32.065 30 S 0.32737730084814 0.17874271892926 0.28417647342633 32.065 31 S 0.67262269915186 0.67874271892926 0.21582352657367 32.065 32 S 0.10773417027153 0.06387435108331 0.44989500804093 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.367259368923211 0.000000000000000 0.000000000000000 b 0.000000000000000 21.522019539999999 0.000000000000000 c -7.681791790489093 0.000000000000000 10.270910994510778 Atomic positions (fractional): 1 Rb 0.19410345162899 0.00573177982446 0.76669046327539 85.468 > 1 2 Rb 0.69410345162899 0.00573177982446 0.76669046327539 85.468 > 1 3 Rb 0.19410345162899 0.50573177982446 0.76669046327539 85.468 > 1 4 Rb 0.69410345162899 0.50573177982446 0.76669046327539 85.468 > 1 5 Rb 0.43096616419111 0.13517002126531 0.50431677877682 85.468 > 5 6 Rb 0.93096616419111 0.13517002126531 0.50431677877682 85.468 > 5 7 Rb 0.43096616419111 0.63517002126531 0.50431677877682 85.468 > 5 8 Rb 0.93096616419111 0.63517002126531 0.50431677877682 85.468 > 5 9 Rb 0.43096616419111 0.11482997873469 0.00431677877682 85.468 > 9 10 Rb 0.93096616419111 0.11482997873469 0.00431677877682 85.468 > 9 11 Rb 0.43096616419111 0.61482997873469 0.00431677877682 85.468 > 9 12 Rb 0.93096616419111 0.61482997873469 0.00431677877682 85.468 > 9 13 Rb 0.19410345162899 0.24426822017554 0.26669046327539 85.468 > 13 14 Rb 0.69410345162899 0.24426822017554 0.26669046327539 85.468 > 13 15 Rb 0.19410345162899 0.74426822017554 0.26669046327539 85.468 > 13 16 Rb 0.69410345162899 0.74426822017554 0.26669046327539 85.468 > 13 17 Rb 0.06903383580889 0.38517002126531 0.99568322122318 85.468 > 17 18 Rb 0.56903383580889 0.38517002126531 0.99568322122318 85.468 > 17 19 Rb 0.06903383580889 0.88517002126531 0.99568322122318 85.468 > 17 20 Rb 0.56903383580889 0.88517002126531 0.99568322122318 85.468 > 17 21 Rb 0.06903383580889 0.36482997873469 0.49568322122318 85.468 > 21 22 Rb 0.56903383580889 0.36482997873469 0.49568322122318 85.468 > 21 23 Rb 0.06903383580889 0.86482997873469 0.49568322122318 85.468 > 21 24 Rb 0.56903383580889 0.86482997873469 0.49568322122318 85.468 > 21 25 Rb 0.30589654837101 0.49426822017554 0.23330953672461 85.468 > 25 26 Rb 0.80589654837101 0.49426822017554 0.23330953672461 85.468 > 25 27 Rb 0.30589654837101 0.99426822017554 0.23330953672461 85.468 > 25 28 Rb 0.80589654837101 0.99426822017554 0.23330953672461 85.468 > 25 29 Rb 0.30589654837101 0.25573177982446 0.73330953672461 85.468 > 29 30 Rb 0.80589654837101 0.25573177982446 0.73330953672461 85.468 > 29 31 Rb 0.30589654837101 0.75573177982446 0.73330953672461 85.468 > 29 32 Rb 0.80589654837101 0.75573177982446 0.73330953672461 85.468 > 29 33 Ag 0.07495556173154 0.48446954366312 0.27412224739876 107.868 > 33 34 Ag 0.57495556173154 0.48446954366312 0.27412224739876 107.868 > 33 35 Ag 0.07495556173154 0.98446954366312 0.27412224739876 107.868 > 33 36 Ag 0.57495556173154 0.98446954366312 0.27412224739876 107.868 > 33 37 Ag 0.42504443826846 0.01553045633688 0.72587775260124 107.868 > 37 38 Ag 0.92504443826846 0.01553045633688 0.72587775260124 107.868 > 37 39 Ag 0.42504443826846 0.51553045633688 0.72587775260124 107.868 > 37 40 Ag 0.92504443826846 0.51553045633688 0.72587775260124 107.868 > 37 41 Ag 0.07495556173154 0.26553045633688 0.77412224739876 107.868 > 41 42 Ag 0.57495556173154 0.26553045633688 0.77412224739876 107.868 > 41 43 Ag 0.07495556173154 0.76553045633688 0.77412224739876 107.868 > 41 44 Ag 0.57495556173154 0.76553045633688 0.77412224739876 107.868 > 41 45 Ag 0.42504443826846 0.23446954366312 0.22587775260124 107.868 > 45 46 Ag 0.92504443826846 0.23446954366312 0.22587775260124 107.868 > 45 47 Ag 0.42504443826846 0.73446954366312 0.22587775260124 107.868 > 45 48 Ag 0.92504443826846 0.73446954366312 0.22587775260124 107.868 > 45 49 Sb 0.15788781902176 0.13913696617768 0.96009692328391 121.760 > 49 50 Sb 0.65788781902176 0.13913696617768 0.96009692328391 121.760 > 49 51 Sb 0.15788781902176 0.63913696617768 0.96009692328391 121.760 > 49 52 Sb 0.65788781902176 0.63913696617768 0.96009692328391 121.760 > 49 53 Sb 0.34211218097824 0.36086303382232 0.03990307671609 121.760 > 53 54 Sb 0.84211218097824 0.36086303382232 0.03990307671609 121.760 > 53 55 Sb 0.34211218097824 0.86086303382232 0.03990307671609 121.760 > 53 56 Sb 0.84211218097824 0.86086303382232 0.03990307671609 121.760 > 53 57 Sb 0.15788781902176 0.11086303382232 0.46009692328391 121.760 > 57 58 Sb 0.65788781902176 0.11086303382232 0.46009692328391 121.760 > 57 59 Sb 0.15788781902176 0.61086303382232 0.46009692328391 121.760 > 57 60 Sb 0.65788781902176 0.61086303382232 0.46009692328391 121.760 > 57 61 Sb 0.34211218097824 0.38913696617768 0.53990307671609 121.760 > 61 62 Sb 0.84211218097824 0.38913696617768 0.53990307671609 121.760 > 61 63 Sb 0.34211218097824 0.88913696617768 0.53990307671609 121.760 > 61 64 Sb 0.84211218097824 0.88913696617768 0.53990307671609 121.760 > 61 65 S 0.32278322194096 0.13788135383320 0.16017899895769 32.065 > 65 66 S 0.82278322194096 0.13788135383320 0.16017899895769 32.065 > 65 67 S 0.32278322194096 0.63788135383320 0.16017899895769 32.065 > 65 68 S 0.82278322194096 0.63788135383320 0.16017899895769 32.065 > 65 69 S 0.09039752558212 0.03811676411469 0.93984492021448 32.065 > 69 70 S 0.59039752558212 0.03811676411469 0.93984492021448 32.065 > 69 71 S 0.09039752558212 0.53811676411469 0.93984492021448 32.065 > 69 72 S 0.59039752558212 0.53811676411469 0.93984492021448 32.065 > 69 73 S 0.09039752558212 0.21188323588531 0.43984492021448 32.065 > 73 74 S 0.59039752558212 0.21188323588531 0.43984492021448 32.065 > 73 75 S 0.09039752558212 0.71188323588531 0.43984492021448 32.065 > 73 76 S 0.59039752558212 0.71188323588531 0.43984492021448 32.065 > 73 77 S 0.44613291486424 0.28193717554165 0.05010499195908 32.065 > 77 78 S 0.94613291486424 0.28193717554165 0.05010499195908 32.065 > 77 79 S 0.44613291486424 0.78193717554165 0.05010499195908 32.065 > 77 80 S 0.94613291486424 0.78193717554165 0.05010499195908 32.065 > 77 81 S 0.17721677805904 0.36211864616680 0.83982100104231 32.065 > 81 82 S 0.67721677805904 0.36211864616680 0.83982100104231 32.065 > 81 83 S 0.17721677805904 0.86211864616680 0.83982100104231 32.065 > 81 84 S 0.67721677805904 0.86211864616680 0.83982100104231 32.065 > 81 85 S 0.05386708513576 0.21806282445834 0.94989500804092 32.065 > 85 86 S 0.55386708513576 0.21806282445834 0.94989500804092 32.065 > 85 87 S 0.05386708513576 0.71806282445835 0.94989500804092 32.065 > 85 88 S 0.55386708513576 0.71806282445835 0.94989500804092 32.065 > 85 89 S 0.16368865042407 0.16062864053537 0.78417647342633 32.065 > 89 90 S 0.66368865042407 0.16062864053537 0.78417647342633 32.065 > 89 91 S 0.16368865042407 0.66062864053537 0.78417647342633 32.065 > 89 92 S 0.66368865042407 0.66062864053537 0.78417647342633 32.065 > 89 93 S 0.40960247441788 0.28811676411469 0.56015507978552 32.065 > 93 94 S 0.90960247441788 0.28811676411469 0.56015507978552 32.065 > 93 95 S 0.40960247441788 0.78811676411469 0.56015507978552 32.065 > 93 96 S 0.90960247441788 0.78811676411469 0.56015507978552 32.065 > 93 97 S 0.44613291486424 0.46806282445835 0.55010499195908 32.065 > 97 98 S 0.94613291486424 0.46806282445835 0.55010499195908 32.065 > 97 99 S 0.44613291486424 0.96806282445835 0.55010499195908 32.065 > 97 100 S 0.94613291486424 0.96806282445835 0.55010499195908 32.065 > 97 101 S 0.32278322194096 0.11211864616679 0.66017899895769 32.065 > 101 102 S 0.82278322194096 0.11211864616679 0.66017899895769 32.065 > 101 103 S 0.32278322194096 0.61211864616680 0.66017899895769 32.065 > 101 104 S 0.82278322194096 0.61211864616680 0.66017899895769 32.065 > 101 105 S 0.17721677805904 0.38788135383320 0.33982100104231 32.065 > 105 106 S 0.67721677805904 0.38788135383320 0.33982100104231 32.065 > 105 107 S 0.17721677805904 0.88788135383320 0.33982100104231 32.065 > 105 108 S 0.67721677805904 0.88788135383320 0.33982100104231 32.065 > 105 109 S 0.33631134957593 0.41062864053537 0.71582352657367 32.065 > 109 110 S 0.83631134957593 0.41062864053537 0.71582352657367 32.065 > 109 111 S 0.33631134957593 0.91062864053537 0.71582352657367 32.065 > 109 112 S 0.83631134957593 0.91062864053537 0.71582352657367 32.065 > 109 113 S 0.40960247441788 0.46188323588531 0.06015507978552 32.065 > 113 114 S 0.90960247441788 0.46188323588531 0.06015507978552 32.065 > 113 115 S 0.40960247441788 0.96188323588531 0.06015507978552 32.065 > 113 116 S 0.90960247441788 0.96188323588531 0.06015507978552 32.065 > 113 117 S 0.16368865042407 0.08937135946463 0.28417647342633 32.065 > 117 118 S 0.66368865042407 0.08937135946463 0.28417647342633 32.065 > 117 119 S 0.16368865042407 0.58937135946463 0.28417647342633 32.065 > 117 120 S 0.66368865042407 0.58937135946463 0.28417647342633 32.065 > 117 121 S 0.33631134957593 0.33937135946463 0.21582352657367 32.065 > 121 122 S 0.83631134957593 0.33937135946463 0.21582352657367 32.065 > 121 123 S 0.33631134957593 0.83937135946463 0.21582352657367 32.065 > 121 124 S 0.83631134957593 0.83937135946463 0.21582352657367 32.065 > 121 125 S 0.05386708513576 0.03193717554165 0.44989500804093 32.065 > 125 126 S 0.55386708513576 0.03193717554165 0.44989500804093 32.065 > 125 127 S 0.05386708513576 0.53193717554165 0.44989500804093 32.065 > 125 128 S 0.55386708513576 0.53193717554165 0.44989500804093 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3828152 0.0000000 0.4166299 0.0000000 5.2285899 0.0000000 0.4166305 0.0000000 5.4442079 -------------------------- Born effective charges -------------------------- 1 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 2 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 3 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 4 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 5 Rb 1.3649995 -0.0845594 -0.0666559 -0.0056476 1.3690570 -0.1394826 -0.0303840 -0.0557784 1.3142592 6 Rb 1.3649995 0.0845594 -0.0666559 0.0056476 1.3690570 0.1394826 -0.0303840 0.0557784 1.3142592 7 Rb 1.3347769 -0.3123980 0.0034430 -0.0901999 1.2954259 -0.1121213 -0.1645767 -0.1492996 1.2581395 8 Rb 1.3347769 0.3123980 0.0034430 0.0901999 1.2954259 0.1121213 -0.1645767 0.1492996 1.2581395 9 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 10 Ag 0.7297864 -0.0801934 0.2415278 -0.0448033 1.0696827 0.1772729 0.2155566 0.3556539 0.9831436 11 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 12 Ag 0.7297864 0.0801934 0.2415278 0.0448033 1.0696827 -0.1772729 0.2155566 -0.3556539 0.9831436 13 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 14 Sb 2.6609128 0.2220713 0.4919165 0.2660144 3.3907565 -0.5212911 0.3473440 0.1865970 2.8635154 15 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 16 Sb 2.6609128 -0.2220713 0.4919165 -0.2660144 3.3907565 0.5212911 0.3473440 -0.1865970 2.8635154 17 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 18 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 19 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 20 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 21 S -1.4447364 0.1244052 -0.5935204 -0.0744176 -1.1425463 0.0313430 -0.2789722 0.1664701 -1.9769587 22 S -1.4787378 0.1582484 -0.1684886 0.2153577 -1.8214325 0.3750318 -0.1013827 0.1599095 -1.3021300 23 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 24 S -1.4960539 0.4671776 -0.2990484 0.4272310 -2.5199688 -0.1625867 -0.4001789 0.5440121 -1.4846062 25 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 26 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 27 S -1.4447364 -0.1244052 -0.5935204 0.0744176 -1.1425463 -0.0313430 -0.2789722 -0.1664701 -1.9769587 28 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 29 S -1.4960539 -0.4671776 -0.2990484 -0.4272310 -2.5199688 0.1625867 -0.4001789 -0.5440121 -1.4846062 30 S -1.6709475 -0.0679058 0.3908260 -0.1768134 -1.6409745 -0.2594745 0.4125938 -0.1266406 -1.6553629 31 S -1.6709475 0.0679058 0.3908260 0.1768134 -1.6409745 0.2594745 0.4125938 0.1266406 -1.6553629 32 S -1.4787378 -0.1582484 -0.1684886 -0.2153577 -1.8214325 -0.3750318 -0.1013827 -0.1599095 -1.3021300 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 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: 0.43, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 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 0.902 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.314 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 16.974 0.000 4.351) 17.523 0.351 ( 13.703 0.000 11.369) 17.805 0.611 ( 19.209 0.000 24.259) 30.943 0.919 ( -1.320 0.000 -4.181) 4.384 0.936 ( 3.412 0.000 0.828) 3.511 1.053 ( 2.613 0.000 0.103) 2.615 1.084 ( 0.816 0.000 -0.468) 0.941 1.108 ( 3.687 0.000 3.103) 4.819 1.200 ( -1.841 0.000 -2.083) 2.780 1.234 ( 3.692 0.000 -0.461) 3.721 1.253 ( 2.248 0.000 -0.132) 2.252 1.293 ( -2.859 0.000 -0.731) 2.951 1.301 ( -0.761 0.000 0.023) 0.761 1.413 ( -0.367 0.000 2.838) 2.861 1.465 ( 1.448 0.000 2.943) 3.279 1.481 ( 3.878 0.000 -3.659) 5.332 1.502 ( -0.753 0.000 1.062) 1.302 1.526 ( 0.065 0.000 0.867) 0.870 1.551 ( -1.819 0.000 -0.899) 2.029 1.573 ( -3.779 0.000 0.034) 3.779 1.651 ( -2.730 0.000 -0.394) 2.758 1.665 ( 1.176 0.000 1.666) 2.040 1.667 ( 1.413 0.000 -5.407) 5.589 1.703 ( 0.721 0.000 1.919) 2.050 1.736 ( -1.872 0.000 -3.260) 3.759 1.823 ( -1.117 0.000 -0.045) 1.118 1.858 ( 2.808 0.000 1.189) 3.049 1.908 ( 0.152 0.000 -0.512) 0.534 2.022 ( -0.958 0.000 -3.694) 3.816 2.026 ( 0.037 0.000 -0.429) 0.431 2.046 ( 1.332 0.000 2.460) 2.797 2.113 ( 0.681 0.000 -2.264) 2.364 2.179 ( -1.906 0.000 1.002) 2.153 2.181 ( 2.750 0.000 0.763) 2.853 2.358 ( -0.507 0.000 -3.663) 3.698 2.400 ( -1.587 0.000 -2.292) 2.787 2.412 ( -2.117 0.000 4.517) 4.989 2.461 ( -0.799 0.000 -3.160) 3.260 2.495 ( -0.618 0.000 1.063) 1.229 2.538 ( 3.151 0.000 -1.703) 3.582 2.616 ( 0.546 0.000 -1.816) 1.896 2.621 ( 0.564 0.000 1.191) 1.318 2.705 ( -4.628 0.000 3.403) 5.744 2.789 ( -3.175 0.000 1.035) 3.340 2.808 ( -3.966 0.000 0.124) 3.968 2.896 ( 0.320 0.000 -2.833) 2.851 2.942 ( 3.330 0.000 -1.516) 3.659 2.946 ( -0.508 0.000 0.807) 0.954 2.998 ( -1.133 0.000 -0.514) 1.244 3.016 ( 2.219 0.000 -1.156) 2.502 3.053 ( -2.140 0.000 1.443) 2.581 3.113 ( -0.119 0.000 -0.800) 0.809 3.311 ( -1.622 0.000 -3.572) 3.923 3.370 ( -0.928 0.000 -1.119) 1.453 3.478 ( 2.340 0.000 1.870) 2.995 3.685 ( -1.267 0.000 -1.420) 1.903 4.245 ( 2.038 0.000 -0.861) 2.212 4.253 ( 0.156 0.000 -0.106) 0.189 4.523 ( 0.306 0.000 0.723) 0.785 4.580 ( -1.587 0.000 -0.561) 1.683 4.690 ( 2.343 0.000 1.861) 2.992 4.748 ( 8.020 0.000 -7.194) 10.774 4.818 ( 1.677 0.000 -1.248) 2.090 4.894 ( 0.186 0.000 -2.418) 2.425 5.016 ( -1.211 0.000 2.534) 2.808 5.045 ( -0.125 0.000 1.102) 1.109 5.098 ( 0.256 0.000 0.654) 0.703 5.269 ( -0.491 0.000 -0.452) 0.667 5.658 ( -3.798 0.000 -0.611) 3.846 5.846 ( -3.272 0.000 1.613) 3.648 5.921 ( 0.488 0.000 -1.689) 1.758 5.945 ( 4.519 0.000 2.383) 5.109 6.352 ( -0.349 0.000 -0.160) 0.384 6.408 ( -1.453 0.000 -0.079) 1.456 6.450 ( -0.284 0.000 -0.194) 0.344 6.488 ( 0.124 0.000 1.769) 1.774 6.999 ( -1.575 0.000 1.344) 2.070 7.004 ( -0.217 0.000 0.640) 0.676 7.029 ( -3.838 0.000 4.827) 6.167 7.163 ( -2.050 0.000 -1.317) 2.437 10.107 ( -1.186 0.000 0.423) 1.259 10.113 ( -1.476 0.000 1.316) 1.978 10.138 ( -0.008 0.000 0.222) 0.222 10.154 ( 0.444 0.000 0.023) 0.444 10.541 ( 0.972 0.000 2.300) 2.497 10.608 ( -1.188 0.000 -0.792) 1.428 10.764 ( -0.937 0.000 3.054) 3.195 10.845 ( -1.921 0.000 -3.571) 4.055 10.933 ( 0.244 0.000 0.660) 0.704 10.973 ( 4.855 0.000 -7.557) 8.982 10.989 ( -0.390 0.000 -0.415) 0.570 11.034 ( 1.148 0.000 0.726) 1.358 11.072 ( 0.391 0.000 0.037) 0.393 11.129 ( -0.654 0.000 -0.942) 1.147 11.338 ( 0.155 0.000 1.937) 1.943 11.448 ( -5.138 0.000 4.571) 6.877 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 12.043 0.000 4.040) 12.702 0.666 ( 11.323 0.000 9.514) 14.790 0.846 ( 2.155 0.000 -3.365) 3.996 0.997 ( 1.440 0.000 1.302) 1.941 1.069 ( 1.827 0.000 1.969) 2.686 1.089 ( 0.859 0.000 -1.045) 1.353 1.132 ( 9.957 0.000 11.259) 15.030 1.135 ( -3.376 0.000 -1.809) 3.830 1.216 ( -3.427 0.000 -2.225) 4.087 1.222 ( 4.903 0.000 7.437) 8.908 1.257 ( -2.024 0.000 -0.838) 2.190 1.306 ( 3.306 0.000 0.900) 3.427 1.315 ( 6.308 0.000 0.458) 6.325 1.393 ( -5.665 0.000 0.002) 5.665 1.466 ( 2.494 0.000 -1.716) 3.027 1.490 ( 5.081 0.000 -2.268) 5.564 1.534 ( 0.267 0.000 1.975) 1.993 1.537 ( -1.163 0.000 -1.028) 1.552 1.553 ( -2.227 0.000 -1.003) 2.442 1.562 ( 1.370 0.000 2.190) 2.583 1.613 ( -2.368 0.000 -1.834) 2.995 1.632 ( -0.096 0.000 1.137) 1.141 1.697 ( 1.189 0.000 0.949) 1.521 1.723 ( -2.098 0.000 3.182) 3.812 1.754 ( 9.845 0.000 -1.115) 9.908 1.826 ( 0.698 0.000 1.117) 1.317 1.881 ( -1.012 0.000 -1.308) 1.654 1.889 ( 0.006 0.000 -3.844) 3.844 1.976 ( -0.841 0.000 -1.710) 1.905 1.981 ( 0.716 0.000 -4.161) 4.222 2.091 ( 0.572 0.000 3.499) 3.546 2.111 ( 1.496 0.000 -0.339) 1.534 2.152 ( -3.193 0.000 0.574) 3.244 2.177 ( -2.119 0.000 -2.196) 3.052 2.326 ( -6.001 0.000 -3.760) 7.082 2.342 ( -1.636 0.000 2.914) 3.341 2.412 ( 0.265 0.000 -0.881) 0.920 2.424 ( -2.206 0.000 3.562) 4.190 2.528 ( 2.017 0.000 3.545) 4.078 2.570 ( 0.702 0.000 -0.814) 1.075 2.598 ( -1.359 0.000 -0.146) 1.367 2.649 ( 2.562 0.000 0.658) 2.645 2.666 ( -4.606 0.000 0.258) 4.613 2.738 ( -3.886 0.000 1.501) 4.166 2.773 ( -1.077 0.000 1.789) 2.088 2.863 ( -0.258 0.000 -3.142) 3.153 2.906 ( -3.334 0.000 -1.564) 3.683 2.957 ( 3.083 0.000 -5.030) 5.900 2.958 ( -2.543 0.000 -0.921) 2.705 3.037 ( -0.326 0.000 1.022) 1.073 3.054 ( -1.175 0.000 2.115) 2.419 3.091 ( -0.022 0.000 -1.886) 1.886 3.273 ( 1.649 0.000 -3.061) 3.477 3.350 ( -0.002 0.000 -0.567) 0.567 3.523 ( 1.461 0.000 1.313) 1.965 3.639 ( -1.976 0.000 -1.909) 2.748 4.256 ( 0.501 0.000 -0.458) 0.679 4.268 ( 2.277 0.000 -1.224) 2.585 4.536 ( -2.605 0.000 -1.122) 2.836 4.542 ( 0.606 0.000 1.241) 1.382 4.761 ( 3.092 0.000 2.815) 4.181 4.806 ( 6.063 0.000 -1.626) 6.277 4.826 ( 1.489 0.000 -1.796) 2.333 4.861 ( -0.385 0.000 -2.811) 2.837 5.021 ( -1.001 0.000 0.796) 1.279 5.063 ( 0.907 0.000 1.069) 1.402 5.111 ( -0.140 0.000 1.103) 1.112 5.253 ( -0.595 0.000 -0.734) 0.945 5.608 ( -2.561 0.000 0.713) 2.658 5.807 ( -3.989 0.000 1.628) 4.309 5.905 ( 0.677 0.000 -2.626) 2.712 6.034 ( 3.420 0.000 1.933) 3.928 6.338 ( -0.781 0.000 -0.725) 1.066 6.394 ( -0.419 0.000 0.138) 0.441 6.444 ( -0.190 0.000 -0.130) 0.230 6.497 ( -0.340 0.000 0.093) 0.353 6.986 ( -1.713 0.000 1.108) 2.040 7.006 ( -0.615 0.000 0.688) 0.923 7.032 ( -0.657 0.000 1.605) 1.734 7.106 ( -2.819 0.000 -1.578) 3.231 10.097 ( -0.828 0.000 0.488) 0.961 10.105 ( -1.070 0.000 0.760) 1.313 10.137 ( -0.416 0.000 0.051) 0.419 10.155 ( -0.321 0.000 -0.124) 0.344 10.570 ( -1.999 0.000 -1.229) 2.347 10.594 ( 1.325 0.000 3.362) 3.614 10.742 ( -3.859 0.000 -5.974) 7.112 10.788 ( 1.364 0.000 0.208) 1.380 10.939 ( 0.700 0.000 -1.256) 1.438 10.972 ( 1.731 0.000 -1.071) 2.035 10.981 ( -0.107 0.000 -0.333) 0.350 11.063 ( 0.862 0.000 1.694) 1.900 11.069 ( -0.320 0.000 0.043) 0.323 11.134 ( 1.639 0.000 -0.226) 1.655 11.361 ( -0.425 0.000 2.386) 2.424 11.415 ( -3.417 0.000 1.276) 3.648 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 2.022 0.000 -0.459) 2.073 0.868 ( 0.870 0.000 4.194) 4.284 0.925 ( 7.626 0.000 1.294) 7.735 0.983 ( -0.416 0.000 2.578) 2.611 1.068 ( -0.859 0.000 -1.274) 1.537 1.090 ( 0.773 0.000 -0.659) 1.015 1.109 ( 0.555 0.000 -2.088) 2.160 1.155 ( -1.634 0.000 -0.300) 1.661 1.189 ( -0.038 0.000 -1.992) 1.992 1.269 ( -1.251 0.000 5.195) 5.343 1.328 ( -2.348 0.000 -1.012) 2.556 1.346 ( 3.654 0.000 0.006) 3.654 1.395 ( -0.505 0.000 -1.339) 1.430 1.438 ( 2.345 0.000 4.182) 4.794 1.474 ( 2.675 0.000 -1.246) 2.951 1.482 ( 3.229 0.000 0.106) 3.231 1.514 ( -0.636 0.000 -0.423) 0.763 1.526 ( 3.320 0.000 -3.026) 4.492 1.584 ( 0.676 0.000 -1.263) 1.433 1.617 ( 1.647 0.000 3.531) 3.896 1.629 ( 4.808 0.000 0.925) 4.896 1.656 ( -1.074 0.000 2.213) 2.460 1.713 ( -3.523 0.000 3.696) 5.106 1.738 ( 3.566 0.000 0.932) 3.686 1.769 ( -2.163 0.000 -6.184) 6.551 1.846 ( -0.638 0.000 1.580) 1.704 1.850 ( -1.620 0.000 -0.330) 1.653 1.932 ( 10.039 0.000 -2.997) 10.477 1.975 ( 1.606 0.000 1.122) 1.959 2.006 ( 4.431 0.000 0.086) 4.432 2.073 ( -5.730 0.000 -1.835) 6.017 2.089 ( -4.439 0.000 0.323) 4.450 2.147 ( 0.024 0.000 4.458) 4.459 2.173 ( -1.225 0.000 -3.192) 3.419 2.191 ( -0.278 0.000 2.457) 2.473 2.329 ( -5.076 0.000 4.633) 6.872 2.390 ( -1.204 0.000 -2.962) 3.198 2.470 ( 3.292 0.000 0.337) 3.309 2.538 ( -1.649 0.000 -0.628) 1.764 2.563 ( -4.702 0.000 -1.964) 5.096 2.582 ( -1.146 0.000 2.902) 3.120 2.608 ( -0.782 0.000 2.887) 2.991 2.706 ( 2.648 0.000 1.356) 2.975 2.712 ( -1.464 0.000 -0.061) 1.465 2.808 ( 1.515 0.000 2.915) 3.285 2.819 ( -1.197 0.000 -2.750) 2.999 2.857 ( -1.257 0.000 0.114) 1.262 2.906 ( -1.664 0.000 -1.625) 2.326 2.935 ( 0.991 0.000 -3.577) 3.711 2.994 ( -3.241 0.000 -1.755) 3.686 3.049 ( -1.214 0.000 0.302) 1.251 3.094 ( 1.288 0.000 -0.839) 1.537 3.282 ( 2.161 0.000 -1.292) 2.517 3.358 ( 0.890 0.000 0.501) 1.022 3.556 ( 1.066 0.000 1.001) 1.463 3.589 ( -1.588 0.000 -1.703) 2.329 4.256 ( 0.455 0.000 -0.772) 0.896 4.283 ( 1.313 0.000 -0.854) 1.566 4.485 ( -2.044 0.000 -0.982) 2.268 4.564 ( 0.560 0.000 0.879) 1.042 4.822 ( -0.254 0.000 -0.736) 0.778 4.825 ( 0.018 0.000 -2.339) 2.339 4.836 ( 2.375 0.000 2.347) 3.339 4.886 ( 4.965 0.000 0.220) 4.970 5.000 ( -1.684 0.000 -0.712) 1.828 5.093 ( 1.292 0.000 0.753) 1.495 5.115 ( -0.729 0.000 0.821) 1.098 5.237 ( -0.314 0.000 -0.678) 0.747 5.594 ( -1.033 0.000 1.229) 1.606 5.768 ( -2.703 0.000 0.917) 2.854 5.887 ( 0.354 0.000 -1.713) 1.749 6.088 ( 1.563 0.000 0.907) 1.807 6.314 ( -0.778 0.000 -1.118) 1.362 6.394 ( 0.070 0.000 0.198) 0.210 6.442 ( -0.098 0.000 0.025) 0.102 6.485 ( -0.661 0.000 -0.484) 0.819 6.976 ( -0.694 0.000 0.501) 0.856 7.001 ( -0.667 0.000 0.186) 0.692 7.042 ( -0.093 0.000 0.949) 0.953 7.054 ( -1.941 0.000 -0.794) 2.097 10.094 ( -0.207 0.000 0.362) 0.417 10.099 ( -0.419 0.000 0.247) 0.487 10.128 ( -0.635 0.000 0.024) 0.635 10.144 ( -0.584 0.000 -0.284) 0.649 10.531 ( -1.331 0.000 -0.422) 1.397 10.616 ( -3.451 0.000 -5.101) 6.159 10.646 ( 0.821 0.000 2.436) 2.571 10.807 ( 1.183 0.000 -0.436) 1.260 10.932 ( 0.473 0.000 -1.214) 1.303 10.977 ( -0.001 0.000 -0.243) 0.243 10.991 ( 0.849 0.000 0.355) 0.921 11.074 ( 0.366 0.000 0.454) 0.584 11.095 ( 0.611 0.000 1.534) 1.651 11.154 ( 1.173 0.000 -0.410) 1.242 11.380 ( -2.011 0.000 0.234) 2.024 11.380 ( -0.398 0.000 1.867) 1.909 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 0.000 0.000) 0.000 0.860 ( 0.000 0.000 0.000) 0.000 1.011 ( 0.000 0.000 0.000) 0.000 1.033 ( -0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.049 ( -0.000 0.000 -0.000) 0.000 1.094 ( 0.000 0.000 -0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.569 ( -0.000 0.000 -0.000) 0.000 1.643 ( 0.000 0.000 -0.000) 0.000 1.650 ( -0.000 0.000 0.000) 0.000 1.661 ( -0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.764 ( -0.000 0.000 -0.000) 0.000 1.831 ( 0.000 0.000 -0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.000 ( -0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 -0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.632 ( -0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.771 ( -0.000 0.000 -0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 -0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.038 ( -0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 -0.000) 0.000 4.254 ( -0.000 0.000 -0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.948 ( -0.000 0.000 -0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.531 ( -0.000 0.000 -0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.929 ( 0.000 0.000 0.000) 0.000 10.976 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 -0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 11.389 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 15.596 0.000) 15.596 0.331 ( 0.000 17.374 0.000) 17.374 0.598 ( 0.000 30.349 0.000) 30.349 0.905 ( 0.000 1.039 0.000) 1.039 0.952 ( 0.000 -5.568 0.000) 5.568 1.016 ( 0.000 -2.981 0.000) 2.981 1.039 ( 0.000 7.370 0.000) 7.370 1.119 ( 0.000 1.129 0.000) 1.129 1.153 ( 0.000 -5.555 0.000) 5.555 1.229 ( 0.000 1.889 0.000) 1.889 1.241 ( 0.000 0.471 0.000) 0.471 1.281 ( 0.000 -1.232 0.000) 1.232 1.350 ( 0.000 2.923 0.000) 2.923 1.381 ( 0.000 -1.902 0.000) 1.902 1.416 ( 0.000 -1.433 0.000) 1.433 1.429 ( 0.000 -1.175 0.000) 1.175 1.491 ( 0.000 0.498 0.000) 0.498 1.580 ( 0.000 0.293 0.000) 0.293 1.603 ( 0.000 -1.081 0.000) 1.081 1.615 ( 0.000 1.469 0.000) 1.469 1.639 ( 0.000 3.079 0.000) 3.079 1.664 ( 0.000 -1.859 0.000) 1.859 1.704 ( 0.000 1.969 0.000) 1.969 1.708 ( 0.000 -4.542 0.000) 4.542 1.743 ( 0.000 1.970 0.000) 1.970 1.840 ( 0.000 1.079 0.000) 1.079 1.901 ( 0.000 2.594 0.000) 2.594 1.941 ( 0.000 -3.536 0.000) 3.536 1.965 ( 0.000 0.071 0.000) 0.071 2.015 ( 0.000 -1.435 0.000) 1.435 2.078 ( 0.000 -1.610 0.000) 1.610 2.103 ( 0.000 2.715 0.000) 2.715 2.140 ( 0.000 1.029 0.000) 1.029 2.228 ( 0.000 2.365 0.000) 2.365 2.294 ( 0.000 -6.933 0.000) 6.933 2.421 ( 0.000 -3.497 0.000) 3.497 2.431 ( 0.000 -2.062 0.000) 2.062 2.436 ( 0.000 -2.056 0.000) 2.056 2.482 ( 0.000 1.768 0.000) 1.768 2.566 ( 0.000 -2.246 0.000) 2.246 2.629 ( 0.000 3.334 0.000) 3.334 2.633 ( 0.000 3.281 0.000) 3.281 2.699 ( 0.000 -2.345 0.000) 2.345 2.709 ( 0.000 -1.188 0.000) 1.188 2.855 ( 0.000 2.036 0.000) 2.036 2.870 ( 0.000 -2.888 0.000) 2.888 2.955 ( 0.000 0.740 0.000) 0.740 2.966 ( 0.000 -2.550 0.000) 2.550 2.985 ( 0.000 -3.322 0.000) 3.322 3.003 ( 0.000 2.653 0.000) 2.653 3.062 ( 0.000 -0.458 0.000) 0.458 3.082 ( 0.000 -1.154 0.000) 1.154 3.348 ( 0.000 -1.779 0.000) 1.779 3.363 ( 0.000 -0.842 0.000) 0.842 3.488 ( 0.000 4.649 0.000) 4.649 3.690 ( 0.000 -1.384 0.000) 1.384 4.231 ( 0.000 -0.205 0.000) 0.205 4.245 ( 0.000 -0.731 0.000) 0.731 4.521 ( 0.000 0.655 0.000) 0.655 4.582 ( 0.000 -1.187 0.000) 1.187 4.654 ( 0.000 1.538 0.000) 1.538 4.677 ( 0.000 1.494 0.000) 1.494 4.811 ( 0.000 0.044 0.000) 0.044 4.881 ( 0.000 -1.629 0.000) 1.629 4.929 ( 0.000 1.348 0.000) 1.348 5.052 ( 0.000 -2.874 0.000) 2.874 5.182 ( 0.000 2.673 0.000) 2.673 5.272 ( 0.000 -0.436 0.000) 0.436 5.858 ( 0.000 -0.472 0.000) 0.472 5.860 ( 0.000 -1.185 0.000) 1.185 5.955 ( 0.000 2.906 0.000) 2.906 6.117 ( 0.000 -1.552 0.000) 1.552 6.303 ( 0.000 1.079 0.000) 1.079 6.354 ( 0.000 -0.779 0.000) 0.779 6.435 ( 0.000 0.514 0.000) 0.514 6.449 ( 0.000 -0.455 0.000) 0.455 6.935 ( 0.000 0.656 0.000) 0.656 6.990 ( 0.000 -1.107 0.000) 1.107 7.139 ( 0.000 1.193 0.000) 1.193 7.186 ( 0.000 -0.228 0.000) 0.228 10.096 ( 0.000 0.647 0.000) 0.647 10.124 ( 0.000 0.742 0.000) 0.742 10.133 ( 0.000 -0.319 0.000) 0.319 10.199 ( 0.000 -1.148 0.000) 1.148 10.524 ( 0.000 0.400 0.000) 0.400 10.554 ( 0.000 -0.403 0.000) 0.403 10.868 ( 0.000 -0.814 0.000) 0.814 10.873 ( 0.000 -0.912 0.000) 0.912 10.946 ( 0.000 1.702 0.000) 1.702 10.967 ( 0.000 1.671 0.000) 1.671 11.018 ( 0.000 -0.031 0.000) 0.031 11.056 ( 0.000 -1.172 0.000) 1.172 11.120 ( 0.000 -1.873 0.000) 1.873 11.127 ( 0.000 -0.774 0.000) 0.774 11.287 ( 0.000 3.546 0.000) 3.546 11.439 ( 0.000 -1.185 0.000) 1.185 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 10.886 9.990 4.456) 15.432 0.433 ( 9.441 10.525 7.908) 16.200 0.849 ( 11.948 17.602 13.554) 25.225 0.925 ( 1.603 1.190 -1.208) 2.334 0.961 ( 2.297 -0.466 1.263) 2.663 1.029 ( 2.321 -2.838 0.076) 3.668 1.071 ( 1.792 3.426 1.546) 4.164 1.144 ( 2.858 -0.860 -0.244) 2.994 1.153 ( 0.252 -1.917 0.436) 1.983 1.244 ( -0.561 -0.296 0.209) 0.668 1.253 ( 3.022 1.569 -0.314) 3.419 1.294 ( 1.825 -0.008 0.613) 1.925 1.339 ( -1.933 3.253 0.129) 3.786 1.370 ( -0.986 -1.308 -0.933) 1.885 1.402 ( 0.687 -4.126 0.632) 4.231 1.469 ( 2.801 -1.573 -1.105) 3.397 1.488 ( -0.364 -0.492 -0.662) 0.902 1.544 ( -0.697 -1.859 -2.235) 2.989 1.572 ( -6.078 -0.398 -1.158) 6.200 1.590 ( -0.263 1.552 0.789) 1.761 1.642 ( -0.787 -0.103 1.203) 1.441 1.658 ( 1.974 2.446 0.688) 3.218 1.694 ( 2.109 0.026 0.646) 2.206 1.701 ( -3.221 1.428 -1.234) 3.733 1.776 ( 0.331 2.685 -1.132) 2.932 1.799 ( -0.451 -0.555 -0.409) 0.823 1.899 ( 1.817 1.014 -1.243) 2.424 1.951 ( -0.838 2.714 0.520) 2.888 1.976 ( 0.169 -2.198 0.086) 2.206 2.014 ( 0.603 -1.802 -0.745) 2.041 2.057 ( -0.662 0.902 0.787) 1.368 2.127 ( 0.624 0.927 -1.134) 1.592 2.169 ( 2.180 -0.140 1.556) 2.682 2.208 ( -2.182 2.363 0.453) 3.248 2.320 ( -0.669 -4.837 2.926) 5.693 2.342 ( -1.920 -4.840 -2.648) 5.841 2.394 ( -2.496 -2.660 0.412) 3.671 2.429 ( 0.839 1.335 -3.878) 4.186 2.494 ( -0.239 -1.433 1.479) 2.073 2.574 ( 0.617 -1.459 -0.808) 1.779 2.610 ( -0.612 3.017 0.304) 3.094 2.653 ( 0.603 2.967 -2.379) 3.850 2.698 ( -2.330 -0.622 3.285) 4.075 2.760 ( 2.248 -2.997 -0.468) 3.776 2.802 ( -3.973 0.190 -1.125) 4.133 2.861 ( 0.672 -2.802 0.307) 2.898 2.951 ( -0.349 2.139 -1.344) 2.550 2.975 ( -0.589 -3.074 -0.659) 3.198 2.984 ( -1.674 0.814 -0.924) 2.078 3.006 ( 1.847 -1.453 -0.890) 2.513 3.039 ( 0.125 -0.078 0.328) 0.359 3.096 ( -0.228 -1.622 -0.028) 1.638 3.298 ( -2.009 -0.705 -2.673) 3.417 3.356 ( -1.254 -1.140 -0.479) 1.761 3.517 ( 1.617 3.404 1.270) 3.977 3.675 ( -1.123 -1.088 -1.040) 1.878 4.237 ( 1.236 -0.450 -0.206) 1.331 4.249 ( 0.359 -0.486 0.219) 0.643 4.526 ( 0.127 0.360 0.547) 0.667 4.570 ( -1.268 -0.888 -0.430) 1.607 4.701 ( 1.944 1.103 1.724) 2.823 4.720 ( 6.124 -1.051 -0.926) 6.282 4.817 ( 1.774 0.077 -1.322) 2.213 4.890 ( 1.053 -1.017 -1.494) 2.091 4.936 ( 0.367 -0.682 2.036) 2.179 5.046 ( -0.302 -2.558 -0.545) 2.633 5.167 ( -0.739 3.694 -0.208) 3.773 5.273 ( 0.472 -0.202 -1.174) 1.282 5.762 ( -7.788 4.558 -3.881) 9.823 5.838 ( -3.175 -0.700 1.038) 3.412 5.946 ( -0.475 2.541 -1.439) 2.959 5.991 ( 1.987 3.641 -1.357) 4.364 6.347 ( -0.117 -0.340 0.049) 0.362 6.380 ( -0.052 -2.372 1.303) 2.707 6.448 ( 0.378 0.254 0.367) 0.585 6.474 ( 0.718 -0.883 1.810) 2.138 6.958 ( 0.053 -0.830 1.921) 2.093 6.999 ( 0.060 -1.316 1.382) 1.909 7.085 ( -3.306 3.083 -0.579) 4.558 7.170 ( -2.358 0.151 -0.687) 2.460 10.092 ( -1.235 -0.196 0.793) 1.480 10.112 ( -1.433 -0.080 0.513) 1.524 10.142 ( 0.621 0.534 0.164) 0.835 10.191 ( -0.151 0.846 -0.429) 0.961 10.531 ( 0.318 0.035 1.980) 2.005 10.592 ( 0.366 -1.060 1.900) 2.206 10.821 ( -3.011 2.369 -0.670) 3.890 10.847 ( -0.719 0.188 -3.844) 3.915 10.944 ( -0.253 1.294 0.208) 1.335 10.961 ( 1.143 -0.029 -2.683) 2.917 11.007 ( 0.016 -0.092 -1.639) 1.642 11.045 ( -0.078 0.934 -3.119) 3.257 11.071 ( 1.151 0.093 0.973) 1.510 11.121 ( -0.229 -0.575 0.063) 0.622 11.337 ( 0.408 0.458 2.537) 2.610 11.431 ( -3.309 -1.489 2.626) 4.479 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 10.073 5.281 4.917) 12.391 0.707 ( 10.875 4.993 9.684) 15.394 0.903 ( 1.229 4.632 -3.161) 5.740 0.987 ( 2.088 -1.191 0.761) 2.521 1.060 ( 0.552 -1.405 0.587) 1.620 1.071 ( 0.580 -1.098 0.749) 1.450 1.115 ( -0.701 0.065 -0.970) 1.198 1.200 ( -0.728 -0.143 0.408) 0.847 1.211 ( 1.921 1.658 2.178) 3.343 1.252 ( -1.170 -0.088 0.989) 1.535 1.285 ( 5.992 4.729 5.049) 9.152 1.322 ( 3.516 2.732 1.445) 4.681 1.340 ( 1.806 -0.627 -1.094) 2.203 1.383 ( -0.001 0.679 0.398) 0.787 1.417 ( 3.085 -2.709 0.261) 4.114 1.444 ( 1.346 -3.257 -0.878) 3.632 1.500 ( -1.360 -1.627 0.653) 2.219 1.531 ( -0.498 0.130 0.011) 0.515 1.534 ( 4.331 0.657 -1.088) 4.514 1.585 ( -5.637 -0.581 -0.123) 5.669 1.625 ( 1.048 2.501 1.348) 3.028 1.692 ( 4.152 0.329 -0.375) 4.182 1.708 ( 1.149 1.017 1.482) 2.133 1.735 ( 0.797 0.979 2.566) 2.860 1.746 ( -0.507 1.996 0.103) 2.062 1.821 ( 2.344 0.276 0.784) 2.487 1.891 ( -3.343 0.474 -1.985) 3.916 1.944 ( 2.275 1.764 -2.126) 3.579 1.968 ( 1.456 0.992 -0.974) 2.013 2.019 ( -0.923 4.084 -2.231) 4.744 2.042 ( 1.294 -1.737 0.727) 2.285 2.143 ( -1.697 -0.047 0.301) 1.724 2.161 ( -0.424 0.782 -0.365) 0.961 2.177 ( -2.206 0.899 -0.129) 2.385 2.276 ( -4.523 -3.583 -1.631) 5.996 2.340 ( -1.860 -1.127 3.597) 4.203 2.397 ( 0.276 -1.176 1.841) 2.201 2.429 ( 0.020 0.214 3.003) 3.011 2.510 ( 1.207 -3.477 0.398) 3.702 2.584 ( 1.475 -2.078 0.413) 2.582 2.593 ( -1.199 1.554 -1.424) 2.425 2.618 ( -0.729 0.975 -1.297) 1.779 2.686 ( -2.553 0.284 0.644) 2.648 2.732 ( -3.320 -0.019 -0.682) 3.389 2.775 ( 0.516 0.546 0.528) 0.918 2.865 ( -0.879 -1.824 -1.731) 2.663 2.912 ( -0.925 1.136 -3.072) 3.404 2.929 ( -3.566 -2.898 -0.147) 4.598 2.961 ( 1.559 0.473 -2.684) 3.140 3.016 ( 0.486 -1.257 -0.569) 1.462 3.052 ( 0.561 -1.661 0.346) 1.787 3.071 ( -2.332 -1.126 -0.829) 2.719 3.258 ( 0.668 -0.919 -2.178) 2.456 3.332 ( -0.533 -1.538 -0.533) 1.713 3.549 ( 0.899 2.298 1.069) 2.689 3.638 ( -1.691 -0.251 -1.414) 2.218 4.251 ( 0.924 -0.285 -0.395) 1.044 4.265 ( 1.674 -0.268 -0.303) 1.722 4.533 ( -1.680 -0.233 -0.465) 1.759 4.541 ( -0.189 -0.179 0.580) 0.635 4.762 ( 2.514 -0.022 1.981) 3.201 4.785 ( 3.227 -1.519 -0.870) 3.671 4.840 ( 3.766 1.220 -1.595) 4.268 4.877 ( 0.681 1.429 -1.895) 2.469 4.981 ( 0.904 -2.372 2.889) 3.846 5.035 ( 0.266 -2.198 -1.042) 2.447 5.161 ( -0.397 3.132 0.354) 3.177 5.257 ( -0.388 0.063 -1.480) 1.531 5.650 ( -4.127 3.646 -0.114) 5.508 5.794 ( -4.125 -1.278 1.317) 4.515 5.929 ( 0.615 2.465 -2.023) 3.248 6.037 ( 2.502 0.034 1.156) 2.756 6.342 ( -0.403 0.395 -0.286) 0.633 6.385 ( -0.066 -0.911 0.440) 1.013 6.449 ( -0.119 0.561 -0.169) 0.598 6.489 ( -0.242 -0.711 0.221) 0.783 6.971 ( -0.332 -0.431 1.117) 1.242 7.016 ( -0.079 -1.337 1.437) 1.965 7.042 ( -1.966 2.442 -0.075) 3.136 7.111 ( -3.114 0.276 -1.463) 3.452 10.080 ( -1.192 -0.826 0.607) 1.572 10.096 ( -1.251 -0.699 0.360) 1.477 10.150 ( 0.137 1.184 0.205) 1.210 10.183 ( -0.516 1.556 -0.240) 1.657 10.550 ( -1.087 -0.673 0.503) 1.374 10.600 ( -0.860 -0.463 1.657) 1.923 10.757 ( -2.391 1.738 -5.102) 5.896 10.805 ( 0.810 1.226 -0.888) 1.717 10.939 ( 0.497 -0.093 -1.552) 1.632 10.952 ( 0.540 -1.062 -0.773) 1.420 11.001 ( 0.476 0.985 -0.603) 1.249 11.034 ( 0.397 -1.415 0.456) 1.539 11.096 ( 0.517 1.433 0.998) 1.821 11.141 ( 1.900 0.584 0.645) 2.090 11.357 ( -0.838 -0.317 2.069) 2.255 11.402 ( -3.039 -1.223 1.197) 3.488 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 2.661 6.490 1.437) 7.160 0.901 ( 0.834 3.354 3.023) 4.592 0.952 ( 5.769 2.724 1.622) 6.582 0.977 ( -1.197 -0.934 1.285) 1.989 1.048 ( -0.219 -1.605 -1.150) 1.987 1.076 ( -0.294 -1.357 -0.041) 1.389 1.111 ( 2.648 1.293 -0.769) 3.046 1.157 ( -2.043 0.748 -0.344) 2.202 1.221 ( -0.275 1.708 -1.998) 2.643 1.251 ( -1.706 -1.358 3.182) 3.857 1.349 ( 3.001 0.568 -1.030) 3.223 1.360 ( 1.854 -0.988 -0.372) 2.134 1.403 ( 2.248 2.106 -1.234) 3.319 1.416 ( 2.363 -0.962 -0.008) 2.551 1.446 ( -0.198 -1.966 0.927) 2.183 1.464 ( -1.038 -3.704 1.269) 4.050 1.508 ( -0.217 -2.970 0.488) 3.018 1.530 ( 1.854 2.937 1.717) 3.874 1.539 ( 2.405 -0.761 0.099) 2.524 1.614 ( 2.226 -0.086 -1.658) 2.777 1.669 ( 1.069 2.721 2.017) 3.551 1.702 ( 0.547 2.618 1.273) 2.962 1.741 ( 0.969 -0.121 1.234) 1.574 1.750 ( -1.145 3.136 1.970) 3.876 1.790 ( -2.935 2.371 -3.244) 4.976 1.819 ( 3.202 -1.788 0.716) 3.737 1.862 ( 0.879 0.754 -0.699) 1.353 1.949 ( 3.427 0.882 -2.651) 4.421 1.988 ( 1.544 1.505 0.149) 2.161 2.029 ( 1.184 2.434 0.802) 2.823 2.061 ( -1.471 0.528 -1.081) 1.900 2.095 ( -3.503 0.621 -0.277) 3.569 2.117 ( -0.211 -0.999 2.872) 3.048 2.176 ( -3.078 -0.567 -1.809) 3.615 2.221 ( 2.081 2.206 3.570) 4.684 2.349 ( -2.885 1.368 5.251) 6.146 2.417 ( -0.083 2.281 -1.687) 2.838 2.457 ( 1.183 -1.082 -1.769) 2.388 2.527 ( -2.053 -2.110 3.804) 4.810 2.544 ( 0.165 0.037 -1.041) 1.055 2.599 ( -1.704 -0.301 0.643) 1.846 2.634 ( -1.001 -1.351 -1.209) 2.071 2.657 ( -0.145 2.846 1.283) 3.125 2.697 ( 1.537 -3.924 0.449) 4.238 2.774 ( -1.838 -1.727 -0.045) 2.522 2.833 ( -0.804 0.193 -0.259) 0.866 2.863 ( -0.834 -0.527 -2.650) 2.828 2.879 ( -1.600 -1.905 -0.166) 2.493 2.949 ( 0.627 0.964 -3.006) 3.218 3.004 ( -1.401 0.459 -1.273) 1.948 3.019 ( -1.447 -3.422 -0.869) 3.815 3.066 ( 0.618 -2.045 0.001) 2.137 3.262 ( 1.746 -1.499 -0.979) 2.501 3.329 ( 0.218 -2.522 0.112) 2.534 3.571 ( 0.589 1.257 0.532) 1.487 3.600 ( -1.248 0.800 -0.931) 1.751 4.258 ( 0.543 0.233 -0.435) 0.734 4.283 ( 1.175 -0.089 -0.470) 1.269 4.491 ( -1.727 0.627 -0.868) 2.032 4.556 ( 0.316 -0.882 0.734) 1.190 4.795 ( 0.734 -1.529 -0.514) 1.772 4.801 ( 0.401 -1.534 -0.625) 1.704 4.876 ( 1.611 2.662 0.621) 3.173 4.908 ( 4.263 1.941 -0.063) 4.684 5.001 ( -0.752 -0.171 -0.002) 0.771 5.043 ( 1.101 -2.993 0.440) 3.219 5.158 ( -0.449 2.381 0.368) 2.451 5.234 ( -0.505 -0.374 -1.078) 1.248 5.614 ( -1.629 1.987 0.866) 2.711 5.751 ( -2.740 -1.712 0.750) 3.317 5.918 ( 0.342 3.108 -1.131) 3.325 6.078 ( 1.295 -1.136 0.793) 1.896 6.328 ( -0.573 1.298 -0.743) 1.602 6.390 ( 0.124 -0.468 0.259) 0.549 6.446 ( -0.026 0.445 -0.053) 0.449 6.479 ( -0.568 -0.504 -0.441) 0.878 6.977 ( -0.188 0.223 0.595) 0.663 7.012 ( -1.067 0.676 -0.238) 1.285 7.034 ( -0.110 -0.379 0.878) 0.963 7.057 ( -2.040 0.113 -0.728) 2.169 10.072 ( -0.555 -1.250 0.482) 1.450 10.083 ( -0.666 -1.178 -0.104) 1.357 10.151 ( -0.126 1.687 0.089) 1.694 10.170 ( -0.715 1.707 -0.186) 1.860 10.521 ( -1.395 -0.686 -0.521) 1.640 10.576 ( -2.597 -2.469 -2.069) 4.138 10.703 ( 0.080 4.045 -0.416) 4.067 10.815 ( 1.044 0.574 -0.529) 1.303 10.930 ( 0.429 -0.244 -1.089) 1.196 10.956 ( 0.370 -1.430 -0.081) 1.479 11.000 ( 0.123 0.394 -0.239) 0.477 11.060 ( 1.246 -1.565 1.006) 2.239 11.110 ( 0.106 2.104 0.516) 2.169 11.175 ( 1.317 1.568 0.532) 2.116 11.365 ( -0.846 -1.297 1.318) 2.033 11.373 ( -1.689 -0.850 0.627) 1.992 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.000 7.983 0.000) 7.983 0.891 ( 0.000 2.758 0.000) 2.758 0.984 ( 0.000 -2.340 0.000) 2.340 1.013 ( 0.000 -1.565 0.000) 1.565 1.046 ( -0.000 0.603 0.000) 0.603 1.060 ( -0.000 0.885 -0.000) 0.885 1.116 ( 0.000 2.330 -0.000) 2.330 1.180 ( -0.000 0.465 0.000) 0.465 1.211 ( 0.000 1.966 -0.000) 1.966 1.251 ( -0.000 -2.123 0.000) 2.123 1.356 ( -0.000 5.181 0.000) 5.181 1.379 ( -0.000 0.451 0.000) 0.451 1.384 ( 0.000 -0.126 -0.000) 0.126 1.446 ( 0.000 -3.660 -0.000) 3.660 1.448 ( -0.000 -3.407 0.000) 3.407 1.480 ( -0.000 -3.399 -0.000) 3.399 1.525 ( -0.000 -1.718 0.000) 1.718 1.545 ( 0.000 1.050 0.000) 1.050 1.590 ( 0.000 1.611 0.000) 1.611 1.594 ( -0.000 -1.740 -0.000) 1.740 1.684 ( 0.000 2.533 0.000) 2.533 1.724 ( -0.000 0.856 0.000) 0.856 1.732 ( 0.000 2.670 0.000) 2.670 1.754 ( 0.000 2.417 -0.000) 2.417 1.760 ( -0.000 2.184 0.000) 2.184 1.850 ( 0.000 0.631 0.000) 0.631 1.862 ( 0.000 -0.598 -0.000) 0.598 1.949 ( 0.000 -3.702 0.000) 3.702 1.985 ( -0.000 0.503 0.000) 0.503 2.038 ( 0.000 0.519 -0.000) 0.519 2.045 ( 0.000 1.648 0.000) 1.648 2.088 ( -0.000 -0.144 0.000) 0.144 2.101 ( 0.000 4.025 -0.000) 4.025 2.190 ( -0.000 -0.797 -0.000) 0.797 2.293 ( 0.000 1.837 -0.000) 1.837 2.368 ( -0.000 4.680 0.000) 4.680 2.380 ( 0.000 5.429 -0.000) 5.429 2.418 ( 0.000 -3.406 0.000) 3.406 2.544 ( 0.000 -0.670 0.000) 0.670 2.561 ( 0.000 3.845 0.000) 3.845 2.570 ( 0.000 -3.009 -0.000) 3.009 2.623 ( 0.000 -0.455 0.000) 0.455 2.647 ( 0.000 -1.032 -0.000) 1.032 2.731 ( -0.000 -1.923 -0.000) 1.923 2.772 ( -0.000 -5.627 -0.000) 5.627 2.808 ( 0.000 2.104 0.000) 2.104 2.840 ( 0.000 -2.879 0.000) 2.879 2.891 ( -0.000 -2.463 -0.000) 2.463 2.911 ( 0.000 1.665 0.000) 1.665 2.981 ( -0.000 2.245 0.000) 2.245 3.007 ( 0.000 -3.632 -0.000) 3.632 3.070 ( -0.000 -2.314 0.000) 2.314 3.273 ( 0.000 -1.692 0.000) 1.692 3.333 ( 0.000 -3.178 0.000) 3.178 3.574 ( 0.000 0.903 0.000) 0.903 3.589 ( -0.000 1.188 0.000) 1.188 4.259 ( -0.000 0.505 -0.000) 0.505 4.290 ( 0.000 0.018 0.000) 0.018 4.471 ( 0.000 0.960 0.000) 0.960 4.563 ( 0.000 -1.193 0.000) 1.193 4.795 ( 0.000 -0.956 -0.000) 0.956 4.798 ( -0.000 -1.561 0.000) 1.561 4.897 ( 0.000 2.347 0.000) 2.347 4.956 ( -0.000 0.920 0.000) 0.920 4.981 ( 0.000 1.518 0.000) 1.518 5.056 ( 0.000 -2.941 0.000) 2.941 5.157 ( -0.000 2.050 0.000) 2.050 5.223 ( 0.000 -0.733 0.000) 0.733 5.608 ( 0.000 1.376 0.000) 1.376 5.734 ( 0.000 -1.825 0.000) 1.825 5.914 ( 0.000 3.434 0.000) 3.434 6.092 ( 0.000 -1.347 0.000) 1.347 6.317 ( 0.000 1.694 0.000) 1.694 6.393 ( 0.000 -0.384 0.000) 0.384 6.446 ( 0.000 0.428 0.000) 0.428 6.470 ( 0.000 -0.455 0.000) 0.455 6.979 ( 0.000 0.482 0.000) 0.482 7.002 ( 0.000 0.475 0.000) 0.475 7.034 ( 0.000 0.038 0.000) 0.038 7.041 ( -0.000 -0.541 -0.000) 0.541 10.073 ( 0.000 -1.349 0.000) 1.349 10.075 ( 0.000 -1.451 -0.000) 1.451 10.151 ( 0.000 1.886 -0.000) 1.886 10.162 ( -0.000 1.703 0.000) 1.703 10.514 ( -0.000 -1.273 -0.000) 1.273 10.527 ( 0.000 -1.464 0.000) 1.464 10.708 ( 0.000 3.690 0.000) 3.690 10.820 ( 0.000 0.473 -0.000) 0.473 10.927 ( -0.000 -0.183 0.000) 0.183 10.959 ( 0.000 -1.418 0.000) 1.418 11.000 ( 0.000 0.083 -0.000) 0.083 11.079 ( 0.000 -2.317 0.000) 2.317 11.112 ( 0.000 2.905 0.000) 2.905 11.188 ( 0.000 1.975 0.000) 1.975 11.358 ( 0.000 -0.705 0.000) 0.705 11.372 ( 0.000 -1.669 0.000) 1.669 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 14.129 0.000) 14.129 0.638 ( 0.000 15.485 0.000) 15.485 0.801 ( 0.000 -10.456 0.000) 10.456 0.891 ( 0.000 -10.477 0.000) 10.477 0.939 ( 0.000 2.408 0.000) 2.408 0.985 ( 0.000 -0.802 0.000) 0.802 1.117 ( 0.000 12.902 0.000) 12.902 1.168 ( 0.000 4.724 0.000) 4.724 1.186 ( 0.000 3.085 0.000) 3.085 1.233 ( 0.000 -2.207 0.000) 2.207 1.278 ( 0.000 2.123 0.000) 2.123 1.280 ( 0.000 5.070 0.000) 5.070 1.335 ( 0.000 -2.193 0.000) 2.193 1.402 ( 0.000 0.916 0.000) 0.916 1.408 ( 0.000 -0.102 0.000) 0.102 1.409 ( 0.000 -1.130 0.000) 1.130 1.500 ( 0.000 0.525 0.000) 0.525 1.537 ( 0.000 -2.584 0.000) 2.584 1.575 ( 0.000 -0.382 0.000) 0.382 1.601 ( 0.000 -2.900 0.000) 2.900 1.623 ( 0.000 -2.235 0.000) 2.235 1.669 ( 0.000 -4.436 0.000) 4.436 1.698 ( 0.000 2.583 0.000) 2.583 1.716 ( 0.000 0.396 0.000) 0.396 1.794 ( 0.000 3.629 0.000) 3.629 1.846 ( 0.000 -1.115 0.000) 1.115 1.891 ( 0.000 -0.836 0.000) 0.836 1.902 ( 0.000 -1.401 0.000) 1.401 1.987 ( 0.000 -0.766 0.000) 0.766 1.987 ( 0.000 0.753 0.000) 0.753 2.048 ( 0.000 0.024 0.000) 0.024 2.095 ( 0.000 -3.760 0.000) 3.760 2.185 ( 0.000 3.154 0.000) 3.154 2.216 ( 0.000 -0.305 0.000) 0.305 2.282 ( 0.000 2.847 0.000) 2.847 2.341 ( 0.000 -4.271 0.000) 4.271 2.396 ( 0.000 -1.608 0.000) 1.608 2.396 ( 0.000 -1.568 0.000) 1.568 2.509 ( 0.000 0.777 0.000) 0.777 2.526 ( 0.000 -1.560 0.000) 1.560 2.658 ( 0.000 0.095 0.000) 0.095 2.677 ( 0.000 -1.252 0.000) 1.252 2.701 ( 0.000 2.666 0.000) 2.666 2.709 ( 0.000 2.604 0.000) 2.604 2.837 ( 0.000 -0.086 0.000) 0.086 2.864 ( 0.000 -1.813 0.000) 1.813 2.916 ( 0.000 -1.676 0.000) 1.676 2.934 ( 0.000 -1.919 0.000) 1.919 2.973 ( 0.000 1.381 0.000) 1.381 3.020 ( 0.000 -1.875 0.000) 1.875 3.052 ( 0.000 0.222 0.000) 0.222 3.056 ( 0.000 -0.461 0.000) 0.461 3.335 ( 0.000 0.295 0.000) 0.295 3.348 ( 0.000 -0.838 0.000) 0.838 3.576 ( 0.000 4.505 0.000) 4.505 3.648 ( 0.000 -3.142 0.000) 3.142 4.228 ( 0.000 -0.006 0.000) 0.006 4.232 ( 0.000 -0.507 0.000) 0.507 4.536 ( 0.000 0.971 0.000) 0.971 4.558 ( 0.000 -1.300 0.000) 1.300 4.686 ( 0.000 1.554 0.000) 1.554 4.698 ( 0.000 0.412 0.000) 0.412 4.818 ( 0.000 0.923 0.000) 0.923 4.847 ( 0.000 -1.931 0.000) 1.931 4.959 ( 0.000 1.936 0.000) 1.936 5.001 ( 0.000 -2.538 0.000) 2.538 5.227 ( 0.000 2.064 0.000) 2.064 5.257 ( 0.000 -1.172 0.000) 1.172 5.846 ( 0.000 -0.254 0.000) 0.254 5.849 ( 0.000 -0.406 0.000) 0.406 6.014 ( 0.000 3.349 0.000) 3.349 6.074 ( 0.000 -2.914 0.000) 2.914 6.325 ( 0.000 1.093 0.000) 1.093 6.341 ( 0.000 -0.660 0.000) 0.660 6.441 ( 0.000 0.054 0.000) 0.054 6.442 ( 0.000 -0.222 0.000) 0.222 6.950 ( 0.000 0.928 0.000) 0.928 6.969 ( 0.000 -1.106 0.000) 1.106 7.162 ( 0.000 1.135 0.000) 1.135 7.178 ( 0.000 -0.639 0.000) 0.639 10.110 ( 0.000 0.812 0.000) 0.812 10.124 ( 0.000 -0.618 0.000) 0.618 10.144 ( 0.000 1.360 0.000) 1.360 10.172 ( 0.000 -1.597 0.000) 1.597 10.533 ( 0.000 0.598 0.000) 0.598 10.545 ( 0.000 -0.612 0.000) 0.612 10.857 ( 0.000 -0.229 0.000) 0.229 10.860 ( 0.000 -0.472 0.000) 0.472 10.982 ( 0.000 2.046 0.000) 2.046 10.997 ( 0.000 1.261 0.000) 1.261 11.014 ( 0.000 -0.394 0.000) 0.394 11.023 ( 0.000 -2.060 0.000) 2.060 11.101 ( 0.000 -0.151 0.000) 0.151 11.110 ( 0.000 -0.884 0.000) 0.884 11.353 ( 0.000 3.333 0.000) 3.333 11.406 ( 0.000 -2.349 0.000) 2.349 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 5.655 12.004 3.267) 13.665 0.675 ( 4.000 14.003 3.397) 14.954 0.841 ( 3.253 -9.114 2.007) 9.883 0.911 ( 1.961 -8.767 0.769) 9.016 0.960 ( 3.231 -0.169 0.178) 3.240 0.996 ( 1.586 -2.446 -0.773) 3.017 1.177 ( 0.511 5.611 -0.275) 5.641 1.179 ( 3.085 4.135 0.840) 5.227 1.215 ( 2.774 4.248 2.762) 5.777 1.244 ( 0.176 -1.038 -1.813) 2.097 1.258 ( -0.086 0.621 0.470) 0.783 1.316 ( 0.733 -2.904 0.081) 2.996 1.361 ( 2.355 6.274 4.309) 7.967 1.374 ( -0.831 1.143 -3.033) 3.346 1.405 ( -0.291 1.919 -0.162) 1.948 1.422 ( 0.633 -1.755 -0.065) 1.867 1.490 ( -0.503 0.716 -0.969) 1.306 1.525 ( 1.148 -0.811 -0.689) 1.565 1.562 ( -2.775 -0.636 1.940) 3.446 1.570 ( -1.410 -0.493 -0.026) 1.494 1.648 ( 2.332 -0.775 1.956) 3.141 1.670 ( -0.115 1.070 0.250) 1.105 1.717 ( -0.153 0.279 0.078) 0.327 1.738 ( 0.020 0.161 0.846) 0.861 1.791 ( 0.409 1.360 0.677) 1.573 1.822 ( -1.862 0.053 -1.012) 2.120 1.881 ( 0.413 -1.531 0.360) 1.627 1.902 ( -0.173 -3.476 0.426) 3.506 1.991 ( 1.124 0.438 -1.187) 1.693 2.009 ( 3.182 0.351 -0.602) 3.258 2.066 ( 0.195 1.638 2.825) 3.271 2.140 ( 1.285 -4.065 3.768) 5.690 2.176 ( -0.622 3.188 -0.091) 3.249 2.232 ( -0.121 -1.327 0.943) 1.633 2.247 ( -3.002 0.754 -0.878) 3.217 2.272 ( -2.658 -2.737 -2.425) 4.521 2.363 ( -1.538 0.600 -0.325) 1.683 2.418 ( 0.201 -3.728 -0.136) 3.735 2.491 ( -0.824 2.493 -2.167) 3.404 2.539 ( 0.380 -2.088 0.311) 2.145 2.667 ( 0.722 0.984 -1.250) 1.747 2.688 ( -0.038 -0.176 1.755) 1.764 2.705 ( 0.509 1.892 -0.909) 2.160 2.721 ( 2.023 0.383 -0.995) 2.287 2.807 ( -2.543 0.568 -1.593) 3.054 2.821 ( -2.523 -1.667 0.072) 3.025 2.918 ( -0.187 -1.636 -1.209) 2.043 2.938 ( 0.793 -3.110 -1.569) 3.572 2.985 ( 1.425 1.016 -0.703) 1.886 3.017 ( 0.505 -1.304 -1.057) 1.753 3.029 ( -1.632 1.457 -0.177) 2.195 3.061 ( 0.128 -1.770 -0.606) 1.876 3.304 ( -2.530 1.220 -0.842) 2.932 3.331 ( -2.077 -1.467 0.041) 2.543 3.584 ( 0.441 3.583 0.499) 3.645 3.642 ( -0.568 -2.507 -0.310) 2.590 4.233 ( 0.684 0.085 0.218) 0.723 4.239 ( 0.571 -0.466 0.401) 0.839 4.536 ( -0.266 0.692 0.183) 0.764 4.552 ( -0.730 -1.005 -0.168) 1.254 4.717 ( 2.353 0.430 0.851) 2.539 4.720 ( 1.882 0.350 1.474) 2.416 4.829 ( 2.462 1.373 -1.137) 3.040 4.861 ( 2.358 -1.801 -0.755) 3.062 4.954 ( -0.191 1.778 -0.326) 1.818 4.995 ( -0.188 -2.634 -0.570) 2.701 5.222 ( -0.151 2.412 -0.515) 2.471 5.258 ( 0.503 -1.399 -0.955) 1.767 5.805 ( -4.816 1.203 -0.798) 5.028 5.823 ( -3.538 -0.873 0.433) 3.670 5.997 ( -0.425 2.584 -1.694) 3.119 6.027 ( -0.305 -0.133 -2.578) 2.599 6.343 ( 0.267 -0.014 0.508) 0.574 6.349 ( 0.531 -0.819 1.139) 1.500 6.454 ( 0.628 0.306 0.693) 0.983 6.461 ( 0.791 -0.512 1.203) 1.528 6.958 ( 0.177 0.578 0.995) 1.164 6.975 ( 0.143 -1.147 0.899) 1.465 7.132 ( -2.256 2.028 -1.028) 3.203 7.161 ( -2.081 -1.074 -0.643) 2.429 10.097 ( -1.756 0.548 0.483) 1.902 10.107 ( -1.880 -0.431 0.447) 1.980 10.158 ( 1.157 1.196 0.146) 1.670 10.182 ( 0.979 -1.204 -0.018) 1.552 10.546 ( -0.029 1.239 2.154) 2.485 10.570 ( 0.285 -1.298 2.376) 2.723 10.840 ( -0.914 0.459 -1.689) 1.974 10.847 ( 0.099 -0.254 -2.711) 2.725 10.964 ( -0.339 0.727 -2.335) 2.469 10.973 ( -1.792 0.330 -1.808) 2.567 11.004 ( 0.388 0.732 -0.221) 0.857 11.032 ( 0.061 -1.615 -1.476) 2.188 11.090 ( 0.812 1.250 0.367) 1.535 11.109 ( 0.316 -0.824 0.764) 1.167 11.361 ( -0.801 1.888 1.603) 2.603 11.398 ( -2.041 -1.945 1.281) 3.097 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 5.357 8.059 5.237) 11.004 0.838 ( 7.981 7.979 6.487) 13.017 0.922 ( 2.711 -5.709 2.627) 6.845 0.951 ( 2.299 -1.172 -0.316) 2.600 1.025 ( 2.279 -1.754 0.649) 2.948 1.032 ( 3.263 -3.615 2.322) 5.395 1.143 ( -2.082 3.718 -2.292) 4.839 1.193 ( -2.473 -0.562 -2.336) 3.448 1.227 ( 2.565 0.987 0.395) 2.777 1.254 ( -1.570 -0.978 0.941) 2.075 1.304 ( 0.919 -0.309 -1.835) 2.076 1.304 ( 4.995 -0.453 -1.832) 5.340 1.354 ( 2.362 -2.026 -0.563) 3.163 1.375 ( -1.707 -2.241 -1.376) 3.135 1.400 ( 0.336 1.647 0.094) 1.684 1.420 ( -2.816 -0.682 0.638) 2.967 1.501 ( 3.164 2.449 0.187) 4.006 1.560 ( -1.215 -2.824 0.944) 3.216 1.580 ( 1.919 4.485 1.763) 5.187 1.612 ( 3.504 3.492 3.600) 6.118 1.663 ( -1.001 1.197 0.423) 1.617 1.671 ( -0.008 0.267 -0.593) 0.651 1.724 ( 0.993 1.309 1.697) 2.362 1.761 ( 0.295 -0.483 1.280) 1.400 1.777 ( -0.946 1.419 -0.293) 1.731 1.811 ( -0.361 -1.586 1.438) 2.171 1.903 ( 1.494 1.417 0.078) 2.061 1.939 ( 3.303 -1.640 2.060) 4.224 1.996 ( 1.335 3.220 -1.308) 3.723 2.048 ( 2.619 -0.404 -0.807) 2.771 2.116 ( 0.201 5.146 3.869) 6.441 2.137 ( -1.636 0.354 -0.125) 1.678 2.153 ( -4.957 -0.301 -0.632) 5.007 2.223 ( 0.887 2.335 -0.443) 2.537 2.228 ( -1.185 -2.127 1.343) 2.781 2.269 ( -0.292 -5.875 5.410) 7.992 2.366 ( 1.354 -0.583 1.661) 2.221 2.412 ( 0.251 -4.395 -0.452) 4.425 2.459 ( -0.359 2.405 -1.011) 2.634 2.523 ( -0.478 -4.032 -1.974) 4.514 2.646 ( -2.257 3.339 -1.922) 4.465 2.666 ( -0.032 4.075 -1.893) 4.493 2.686 ( -0.779 -0.596 -1.673) 1.939 2.755 ( 0.721 -0.106 -0.996) 1.234 2.769 ( 0.394 -1.682 0.647) 1.845 2.801 ( -1.012 -2.030 -0.173) 2.275 2.884 ( -2.420 -0.973 -0.970) 2.783 2.906 ( -1.395 -2.283 -3.355) 4.291 2.973 ( -0.635 1.393 -1.480) 2.129 3.007 ( -0.865 -1.633 -0.869) 2.042 3.017 ( 1.185 0.404 -1.815) 2.205 3.045 ( -1.008 -1.810 -0.562) 2.147 3.263 ( -1.316 1.477 -0.610) 2.070 3.299 ( -1.571 -2.035 -0.270) 2.585 3.593 ( -0.058 2.184 0.453) 2.232 3.625 ( -0.980 -1.205 -0.433) 1.613 4.251 ( 1.084 0.242 0.150) 1.120 4.258 ( 1.230 -0.459 0.327) 1.353 4.531 ( -1.085 0.094 -0.098) 1.094 4.535 ( -0.600 -0.336 0.228) 0.725 4.760 ( 1.824 -0.129 0.590) 1.921 4.763 ( 1.866 -0.653 -0.089) 1.979 4.873 ( 4.259 2.074 -0.480) 4.761 4.897 ( 3.111 0.055 -0.358) 3.132 4.958 ( 0.450 0.196 1.037) 1.147 4.989 ( 0.599 -2.521 -0.893) 2.740 5.211 ( -0.372 2.308 -0.708) 2.443 5.246 ( -0.199 -1.297 -1.539) 2.023 5.716 ( -4.918 3.102 -0.283) 5.822 5.763 ( -4.521 -2.047 0.521) 4.990 5.983 ( 0.564 2.930 -0.960) 3.134 6.025 ( 1.125 -1.421 -0.028) 1.812 6.352 ( 0.135 0.614 0.379) 0.734 6.366 ( 0.324 -0.970 0.696) 1.237 6.462 ( -0.010 0.764 -0.099) 0.770 6.475 ( 0.006 -0.686 0.149) 0.702 6.973 ( 0.211 0.588 1.068) 1.237 6.991 ( 0.268 -1.247 1.202) 1.753 7.083 ( -2.497 1.817 -0.848) 3.203 7.108 ( -2.990 -0.767 -1.278) 3.341 10.075 ( -1.619 0.212 0.356) 1.671 10.083 ( -1.636 -0.619 0.246) 1.767 10.174 ( 0.475 1.284 0.298) 1.402 10.192 ( 0.163 -0.462 0.060) 0.493 10.555 ( -1.832 1.018 0.785) 2.238 10.580 ( -1.926 -1.434 0.948) 2.582 10.795 ( -0.376 1.852 -3.518) 3.993 10.816 ( 0.547 -0.282 -2.165) 2.250 10.936 ( 0.181 -0.122 -1.901) 1.913 10.938 ( -0.266 -0.436 -0.984) 1.109 11.011 ( 0.323 0.233 -0.293) 0.494 11.017 ( 0.224 -0.504 -0.147) 0.571 11.124 ( 1.470 1.526 1.429) 2.556 11.145 ( 2.050 -0.427 1.620) 2.647 11.357 ( -1.813 0.489 1.363) 2.320 11.376 ( -2.485 -1.390 1.089) 3.049 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.835 3.578 3.316) 5.212 0.935 ( -1.186 -1.793 0.274) 2.167 0.992 ( 1.709 3.998 1.292) 4.536 1.007 ( 3.026 2.284 0.871) 3.890 1.038 ( 0.724 0.849 -0.397) 1.184 1.055 ( 0.187 -1.262 -0.103) 1.279 1.146 ( 2.306 1.363 1.446) 3.044 1.169 ( 0.909 -0.836 1.186) 1.712 1.222 ( -2.638 0.642 1.208) 2.972 1.247 ( 0.209 -0.511 -0.592) 0.809 1.311 ( 0.880 -0.621 -1.885) 2.171 1.341 ( 0.008 -1.961 0.353) 1.993 1.369 ( 2.283 -2.578 -2.007) 3.986 1.385 ( 5.578 -2.233 0.560) 6.035 1.409 ( -0.482 -0.779 1.422) 1.692 1.436 ( 1.385 -2.808 2.230) 3.844 1.516 ( -1.053 4.569 -2.430) 5.281 1.560 ( 3.583 0.869 -0.246) 3.695 1.600 ( -1.349 3.825 1.263) 4.248 1.620 ( -2.957 0.223 -0.837) 3.081 1.694 ( 2.073 -0.454 1.192) 2.434 1.696 ( 0.884 -1.726 1.502) 2.453 1.739 ( 0.456 0.428 0.731) 0.962 1.768 ( -0.092 -1.645 0.141) 1.654 1.810 ( 3.539 1.163 0.966) 3.849 1.830 ( 2.792 0.137 1.123) 3.012 1.898 ( -3.895 3.394 -1.281) 5.323 1.951 ( -3.070 -1.454 -1.868) 3.877 2.010 ( 2.099 2.561 -0.263) 3.322 2.072 ( -2.596 0.238 -0.679) 2.694 2.092 ( -0.744 -1.541 -1.064) 2.015 2.097 ( -0.753 1.287 0.173) 1.501 2.167 ( 0.245 5.071 2.189) 5.529 2.182 ( -1.863 2.092 -0.177) 2.807 2.277 ( 3.425 4.848 5.206) 7.896 2.344 ( 0.869 -1.194 3.622) 3.911 2.431 ( 2.690 -4.059 0.626) 4.909 2.436 ( 1.686 -3.654 3.374) 5.252 2.464 ( 1.029 1.315 -0.188) 1.680 2.515 ( 1.814 -5.544 0.509) 5.856 2.596 ( -1.382 2.608 -3.198) 4.352 2.617 ( 0.074 0.639 -1.432) 1.570 2.685 ( -0.629 2.859 0.725) 3.015 2.735 ( -1.785 3.883 -0.522) 4.306 2.759 ( -3.145 -1.359 -1.450) 3.720 2.786 ( -0.434 -3.089 0.752) 3.208 2.829 ( -1.718 -2.779 -2.279) 3.983 2.846 ( -1.397 -2.594 -2.147) 3.645 2.948 ( -0.358 -0.356 -1.393) 1.482 2.964 ( -2.212 -1.183 -1.756) 3.062 3.011 ( 0.626 0.437 -1.470) 1.656 3.033 ( 0.073 -1.602 -0.344) 1.640 3.252 ( 0.379 0.751 -0.303) 0.894 3.283 ( -0.320 -2.252 -0.099) 2.276 3.594 ( -0.179 1.128 0.113) 1.148 3.607 ( -0.749 -0.143 -0.193) 0.786 4.266 ( 0.709 0.621 0.040) 0.943 4.278 ( 0.918 -0.524 0.050) 1.059 4.509 ( -1.019 1.237 -0.386) 1.648 4.534 ( -0.276 -1.361 0.279) 1.417 4.775 ( 0.648 -0.487 -0.526) 0.966 4.779 ( 0.650 -0.760 -0.504) 1.120 4.927 ( 2.101 2.715 0.715) 3.507 4.948 ( 3.630 1.883 -0.310) 4.101 4.984 ( 0.327 -1.720 1.727) 2.459 4.995 ( 1.563 -1.978 -1.055) 2.733 5.195 ( -0.687 1.658 -0.429) 1.846 5.221 ( -0.729 -1.047 -1.183) 1.740 5.660 ( -2.511 2.758 0.386) 3.750 5.710 ( -2.803 -2.556 0.424) 3.817 5.986 ( 0.416 3.707 -0.173) 3.734 6.045 ( 0.766 -2.497 0.466) 2.653 6.354 ( -0.069 1.385 -0.021) 1.387 6.376 ( 0.233 -1.004 0.344) 1.087 6.457 ( -0.163 0.680 -0.314) 0.766 6.469 ( -0.386 -0.578 -0.449) 0.827 6.987 ( 0.166 0.805 0.622) 1.031 7.005 ( 0.052 -1.024 0.474) 1.129 7.043 ( -1.548 0.866 -0.282) 1.796 7.055 ( -2.025 -0.343 -0.730) 2.180 10.059 ( -0.823 -0.159 0.223) 0.867 10.065 ( -0.922 -0.684 -0.038) 1.149 10.179 ( -0.045 1.163 0.128) 1.171 10.189 ( -0.458 0.225 -0.010) 0.511 10.517 ( -1.949 0.360 -0.943) 2.194 10.536 ( -2.477 -1.678 -1.476) 3.336 10.775 ( 0.562 3.268 -0.607) 3.371 10.814 ( 0.879 -0.919 -0.604) 1.408 10.926 ( 0.327 -0.042 -0.769) 0.837 10.933 ( 0.345 -0.880 -0.411) 1.031 11.009 ( 0.147 0.722 -0.277) 0.787 11.030 ( 0.664 -1.474 0.306) 1.646 11.159 ( 1.023 2.670 1.010) 3.032 11.191 ( 1.459 -0.337 1.242) 1.946 11.344 ( -1.348 -0.474 0.875) 1.675 11.353 ( -1.685 -1.114 0.613) 2.111 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.000 0.142 0.000) 0.142 0.920 ( 0.000 1.158 -0.000) 1.158 0.993 ( 0.000 2.881 0.000) 2.881 1.013 ( 0.000 2.015 0.000) 2.015 1.064 ( -0.000 0.131 -0.000) 0.131 1.067 ( 0.000 1.143 0.000) 1.143 1.168 ( 0.000 2.529 -0.000) 2.529 1.202 ( 0.000 0.573 0.000) 0.573 1.221 ( 0.000 -0.482 -0.000) 0.482 1.224 ( 0.000 -0.116 0.000) 0.116 1.333 ( -0.000 -3.200 0.000) 3.200 1.347 ( 0.000 -3.449 -0.000) 3.449 1.370 ( 0.000 -2.088 -0.000) 2.088 1.393 ( -0.000 -2.636 0.000) 2.636 1.442 ( 0.000 2.251 -0.000) 2.251 1.458 ( -0.000 -0.087 0.000) 0.087 1.525 ( 0.000 3.218 -0.000) 3.218 1.565 ( -0.000 0.740 0.000) 0.740 1.590 ( -0.000 0.155 0.000) 0.155 1.603 ( 0.000 -1.426 0.000) 1.426 1.705 ( 0.000 1.073 0.000) 1.073 1.717 ( 0.000 -0.250 0.000) 0.250 1.764 ( -0.000 1.293 0.000) 1.293 1.796 ( 0.000 -0.726 -0.000) 0.726 1.809 ( -0.000 1.921 0.000) 1.921 1.842 ( 0.000 -1.928 0.000) 1.928 1.886 ( 0.000 2.579 -0.000) 2.579 1.893 ( 0.000 0.157 0.000) 0.157 2.018 ( -0.000 2.182 0.000) 2.182 2.044 ( -0.000 1.435 0.000) 1.435 2.055 ( 0.000 -1.158 0.000) 1.158 2.091 ( 0.000 -1.636 -0.000) 1.636 2.177 ( 0.000 2.683 -0.000) 2.683 2.184 ( -0.000 1.005 0.000) 1.005 2.366 ( -0.000 -0.590 0.000) 0.590 2.376 ( 0.000 5.572 0.000) 5.572 2.449 ( 0.000 -2.980 -0.000) 2.980 2.460 ( 0.000 3.322 0.000) 3.322 2.482 ( 0.000 1.571 0.000) 1.571 2.559 ( 0.000 2.529 0.000) 2.529 2.562 ( 0.000 -6.441 0.000) 6.441 2.622 ( 0.000 -1.231 0.000) 1.231 2.685 ( 0.000 3.361 0.000) 3.361 2.689 ( -0.000 1.397 -0.000) 1.397 2.721 ( -0.000 0.777 0.000) 0.777 2.785 ( 0.000 -1.765 -0.000) 1.765 2.803 ( -0.000 -7.078 0.000) 7.078 2.815 ( 0.000 -2.061 0.000) 2.061 2.932 ( 0.000 0.249 -0.000) 0.249 2.936 ( -0.000 -1.792 0.000) 1.792 3.007 ( -0.000 0.880 0.000) 0.880 3.032 ( 0.000 -1.755 0.000) 1.755 3.256 ( 0.000 0.288 0.000) 0.288 3.281 ( 0.000 -2.202 -0.000) 2.202 3.592 ( 0.000 0.903 0.000) 0.903 3.601 ( -0.000 0.048 0.000) 0.048 4.272 ( -0.000 0.805 -0.000) 0.805 4.285 ( 0.000 -0.526 0.000) 0.526 4.498 ( 0.000 1.790 0.000) 1.790 4.533 ( 0.000 -1.871 0.000) 1.871 4.777 ( 0.000 -0.509 0.000) 0.509 4.779 ( 0.000 -0.625 0.000) 0.625 4.947 ( 0.000 2.874 0.000) 2.874 4.980 ( -0.000 1.452 0.000) 1.452 4.995 ( 0.000 -0.678 0.000) 0.678 5.003 ( 0.000 -2.325 0.000) 2.325 5.187 ( -0.000 1.211 0.000) 1.211 5.206 ( 0.000 -0.965 0.000) 0.965 5.644 ( 0.000 2.359 0.000) 2.359 5.691 ( 0.000 -2.579 0.000) 2.579 5.988 ( 0.000 4.064 0.000) 4.064 6.054 ( 0.000 -2.834 0.000) 2.834 6.353 ( 0.000 1.871 0.000) 1.871 6.380 ( 0.000 -1.061 0.000) 1.061 6.454 ( -0.000 0.407 0.000) 0.407 6.462 ( 0.000 -0.444 0.000) 0.444 6.991 ( 0.000 0.791 0.000) 0.791 7.004 ( 0.000 -0.381 0.000) 0.381 7.033 ( 0.000 -0.119 0.000) 0.119 7.034 ( -0.000 -0.051 -0.000) 0.051 10.055 ( 0.000 -0.462 0.000) 0.462 10.056 ( -0.000 -0.551 -0.000) 0.551 10.179 ( 0.000 1.021 -0.000) 1.021 10.184 ( -0.000 0.498 0.000) 0.498 10.497 ( -0.000 -0.430 -0.000) 0.430 10.502 ( 0.000 -0.958 0.000) 0.958 10.778 ( 0.000 3.331 0.000) 3.331 10.819 ( 0.000 -0.926 -0.000) 0.926 10.924 ( 0.000 0.048 0.000) 0.048 10.934 ( 0.000 -1.028 -0.000) 1.028 11.009 ( 0.000 0.979 0.000) 0.979 11.037 ( 0.000 -2.012 0.000) 2.012 11.173 ( 0.000 3.220 0.000) 3.220 11.210 ( 0.000 -0.209 0.000) 0.209 11.340 ( 0.000 -1.110 0.000) 1.110 11.341 ( -0.000 -0.880 0.000) 0.880 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( -9.475 0.000 13.768) 16.714 0.316 ( 4.371 0.000 15.554) 16.157 0.623 ( 9.746 0.000 29.649) 31.209 0.881 ( 3.364 0.000 -2.749) 4.344 0.907 ( -1.976 0.000 -3.786) 4.271 1.025 ( 0.737 0.000 1.995) 2.127 1.030 ( 2.569 0.000 -3.902) 4.672 1.119 ( -0.643 0.000 4.741) 4.785 1.186 ( 0.770 0.000 -0.634) 0.997 1.207 ( -1.206 0.000 -2.006) 2.340 1.226 ( 0.572 0.000 -0.272) 0.633 1.311 ( 0.110 0.000 0.188) 0.218 1.313 ( 0.659 0.000 -0.737) 0.989 1.387 ( 3.353 0.000 -3.341) 4.733 1.461 ( -2.549 0.000 1.982) 3.229 1.464 ( -0.386 0.000 1.201) 1.262 1.505 ( 0.898 0.000 1.895) 2.097 1.536 ( -0.313 0.000 0.734) 0.798 1.555 ( -1.178 0.000 -1.990) 2.313 1.570 ( 2.649 0.000 -5.728) 6.311 1.635 ( -1.023 0.000 -0.036) 1.023 1.664 ( 1.503 0.000 1.816) 2.357 1.696 ( -4.061 0.000 -3.681) 5.481 1.723 ( 0.882 0.000 1.606) 1.833 1.759 ( -2.602 0.000 -0.394) 2.632 1.816 ( 1.238 0.000 -0.693) 1.419 1.843 ( -1.092 0.000 0.908) 1.420 1.930 ( -1.178 0.000 1.432) 1.854 2.021 ( 1.098 0.000 -0.240) 1.124 2.045 ( -4.506 0.000 -0.681) 4.557 2.054 ( -0.511 0.000 2.360) 2.415 2.077 ( -0.172 0.000 -4.053) 4.057 2.159 ( 1.470 0.000 3.364) 3.671 2.194 ( 0.523 0.000 -0.159) 0.546 2.317 ( 1.605 0.000 -2.797) 3.224 2.428 ( -3.616 0.000 -2.930) 4.654 2.442 ( 2.486 0.000 2.754) 3.710 2.471 ( 0.556 0.000 -4.063) 4.100 2.490 ( -6.332 0.000 -2.022) 6.647 2.560 ( -3.405 0.000 4.724) 5.823 2.609 ( -0.939 0.000 0.545) 1.085 2.641 ( -0.853 0.000 2.559) 2.697 2.718 ( 6.080 0.000 -1.991) 6.398 2.817 ( -0.982 0.000 -0.221) 1.006 2.865 ( -0.584 0.000 0.076) 0.589 2.878 ( -0.452 0.000 -2.300) 2.344 2.925 ( -1.964 0.000 -0.423) 2.009 2.966 ( -0.567 0.000 1.762) 1.851 2.983 ( -0.146 0.000 -0.842) 0.855 2.993 ( 0.427 0.000 -1.489) 1.549 3.073 ( 0.830 0.000 0.686) 1.077 3.079 ( 1.860 0.000 0.264) 1.879 3.330 ( -3.665 0.000 -3.034) 4.758 3.355 ( 0.771 0.000 -2.865) 2.967 3.469 ( 1.338 0.000 3.523) 3.769 3.688 ( -1.010 0.000 -2.182) 2.404 4.237 ( -0.388 0.000 0.320) 0.503 4.252 ( 0.077 0.000 -0.140) 0.160 4.525 ( -0.181 0.000 0.839) 0.858 4.589 ( -0.158 0.000 -0.649) 0.668 4.659 ( -1.224 0.000 1.690) 2.087 4.685 ( 0.445 0.000 2.502) 2.541 4.795 ( -0.456 0.000 -1.557) 1.623 4.879 ( -1.047 0.000 -2.518) 2.727 5.048 ( -0.980 0.000 0.548) 1.123 5.051 ( 0.452 0.000 0.859) 0.971 5.108 ( -0.701 0.000 1.517) 1.671 5.253 ( 1.037 0.000 -2.149) 2.386 5.718 ( -3.248 0.000 1.167) 3.451 5.843 ( 1.977 0.000 -1.868) 2.720 5.897 ( 3.460 0.000 1.480) 3.764 5.953 ( -3.661 0.000 -0.216) 3.667 6.359 ( -0.406 0.000 0.450) 0.607 6.412 ( 3.079 0.000 -0.776) 3.175 6.438 ( 3.579 0.000 0.514) 3.616 6.453 ( -0.278 0.000 -0.079) 0.289 7.009 ( 0.343 0.000 0.741) 0.816 7.015 ( 0.145 0.000 1.358) 1.366 7.080 ( 2.615 0.000 -0.840) 2.747 7.167 ( -0.228 0.000 -2.047) 2.059 10.120 ( 0.347 0.000 0.295) 0.456 10.126 ( 1.838 0.000 0.280) 1.860 10.141 ( -0.640 0.000 0.474) 0.796 10.152 ( -0.262 0.000 0.327) 0.419 10.544 ( 1.136 0.000 2.375) 2.633 10.623 ( -1.128 0.000 0.088) 1.131 10.648 ( 10.318 0.000 0.743) 10.345 10.844 ( -1.644 0.000 -3.402) 3.779 10.936 ( -1.007 0.000 0.815) 1.295 10.994 ( -0.603 0.000 -0.341) 0.693 11.022 ( -6.545 0.000 0.288) 6.551 11.026 ( -0.857 0.000 1.002) 1.318 11.052 ( 1.602 0.000 -1.140) 1.966 11.132 ( -0.811 0.000 -1.538) 1.739 11.345 ( 0.912 0.000 2.002) 2.200 11.478 ( 3.014 0.000 -1.610) 3.417 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 10.673 0.000 8.460) 13.619 0.593 ( 9.088 0.000 12.113) 15.143 0.799 ( -1.401 0.000 -6.140) 6.298 0.937 ( 6.776 0.000 -2.134) 7.104 1.041 ( 2.793 0.000 -1.843) 3.347 1.056 ( 1.595 0.000 1.608) 2.265 1.083 ( 8.223 0.000 11.304) 13.979 1.173 ( -2.295 0.000 -0.070) 2.296 1.203 ( 3.514 0.000 -2.267) 4.182 1.210 ( 4.793 0.000 10.014) 11.102 1.250 ( 1.569 0.000 0.154) 1.577 1.276 ( -2.943 0.000 -2.436) 3.820 1.329 ( -1.463 0.000 4.562) 4.791 1.376 ( 3.840 0.000 -4.446) 5.875 1.448 ( -1.158 0.000 -2.944) 3.164 1.459 ( -0.493 0.000 0.848) 0.981 1.513 ( 0.882 0.000 -1.446) 1.693 1.542 ( 0.787 0.000 0.539) 0.954 1.562 ( 2.456 0.000 -3.251) 4.074 1.571 ( 1.216 0.000 2.719) 2.979 1.596 ( -3.253 0.000 -0.646) 3.316 1.655 ( 1.122 0.000 -0.112) 1.127 1.693 ( 0.488 0.000 0.675) 0.833 1.701 ( -4.049 0.000 0.795) 4.126 1.773 ( 0.797 0.000 4.102) 4.179 1.799 ( 2.451 0.000 -8.236) 8.593 1.840 ( -1.293 0.000 2.732) 3.023 1.918 ( -1.700 0.000 1.247) 2.108 1.955 ( -2.191 0.000 -5.272) 5.709 1.980 ( -2.361 0.000 -1.724) 2.923 2.057 ( 2.993 0.000 -2.555) 3.935 2.099 ( 2.402 0.000 3.072) 3.899 2.193 ( -1.256 0.000 0.650) 1.414 2.197 ( -1.328 0.000 0.249) 1.351 2.357 ( 1.682 0.000 3.424) 3.815 2.361 ( -1.859 0.000 -2.073) 2.785 2.412 ( -2.277 0.000 -2.091) 3.091 2.452 ( 1.694 0.000 -2.750) 3.230 2.540 ( -1.284 0.000 4.563) 4.740 2.547 ( 2.232 0.000 2.523) 3.368 2.597 ( -0.934 0.000 -1.317) 1.615 2.663 ( -1.321 0.000 4.024) 4.236 2.738 ( -1.970 0.000 -0.405) 2.012 2.786 ( 0.575 0.000 -2.191) 2.265 2.820 ( -4.751 0.000 1.468) 4.973 2.843 ( -0.520 0.000 -2.561) 2.613 2.892 ( 0.454 0.000 -1.715) 1.774 2.944 ( -2.587 0.000 -1.151) 2.832 2.983 ( -0.936 0.000 -0.469) 1.047 3.022 ( 2.622 0.000 0.943) 2.786 3.081 ( -0.638 0.000 -1.873) 1.978 3.089 ( -0.583 0.000 1.489) 1.599 3.247 ( -1.794 0.000 -2.272) 2.895 3.336 ( 0.763 0.000 -1.704) 1.867 3.525 ( 0.721 0.000 3.145) 3.227 3.645 ( -1.140 0.000 -2.813) 3.035 4.236 ( 0.583 0.000 -0.000) 0.583 4.251 ( -0.040 0.000 -0.189) 0.193 4.541 ( 0.587 0.000 1.092) 1.240 4.564 ( -1.852 0.000 -1.010) 2.110 4.720 ( 4.233 0.000 1.745) 4.579 4.746 ( 2.562 0.000 3.387) 4.247 4.781 ( 1.617 0.000 -2.293) 2.806 4.839 ( 0.046 0.000 -3.028) 3.028 5.044 ( -1.080 0.000 0.885) 1.396 5.062 ( 0.144 0.000 0.483) 0.504 5.122 ( -0.049 0.000 1.585) 1.586 5.239 ( 0.641 0.000 -2.297) 2.384 5.672 ( -4.033 0.000 1.814) 4.422 5.853 ( 1.224 0.000 -0.881) 1.508 5.889 ( -3.420 0.000 -1.267) 3.647 5.985 ( 4.577 0.000 1.554) 4.834 6.351 ( -1.212 0.000 0.117) 1.218 6.401 ( -0.656 0.000 -0.480) 0.813 6.446 ( -0.269 0.000 -0.228) 0.353 6.483 ( 1.776 0.000 -0.939) 2.009 7.020 ( -0.355 0.000 0.871) 0.940 7.026 ( -1.747 0.000 1.554) 2.338 7.057 ( -1.212 0.000 -0.195) 1.228 7.124 ( -1.599 0.000 -2.474) 2.945 10.115 ( -1.056 0.000 0.272) 1.090 10.127 ( -1.177 0.000 -0.051) 1.178 10.144 ( 0.002 0.000 0.680) 0.680 10.156 ( 0.116 0.000 0.109) 0.159 10.594 ( -2.098 0.000 -0.708) 2.214 10.600 ( 1.502 0.000 3.316) 3.640 10.745 ( 4.000 0.000 -0.876) 4.094 10.751 ( -3.481 0.000 -5.603) 6.597 10.927 ( -0.868 0.000 0.614) 1.063 10.980 ( -1.219 0.000 1.770) 2.149 10.981 ( -0.274 0.000 -0.403) 0.487 11.060 ( 1.329 0.000 1.744) 2.193 11.065 ( 0.683 0.000 -0.679) 0.963 11.109 ( 0.858 0.000 -1.108) 1.402 11.379 ( 0.318 0.000 2.079) 2.104 11.452 ( -1.571 0.000 -2.074) 2.602 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 5.195 0.000 2.418) 5.730 0.758 ( 9.665 0.000 -3.525) 10.287 0.831 ( 6.880 0.000 5.914) 9.072 1.013 ( 6.111 0.000 -2.872) 6.752 1.035 ( -2.875 0.000 -1.200) 3.115 1.061 ( 0.303 0.000 -1.670) 1.697 1.113 ( -1.977 0.000 -1.745) 2.637 1.179 ( 0.750 0.000 -0.826) 1.116 1.187 ( -2.865 0.000 -1.252) 3.127 1.271 ( 2.690 0.000 0.654) 2.768 1.281 ( 6.186 0.000 -2.814) 6.796 1.293 ( 1.834 0.000 -3.182) 3.672 1.392 ( -1.718 0.000 -0.766) 1.881 1.430 ( 3.250 0.000 2.664) 4.202 1.442 ( -1.620 0.000 -6.017) 6.231 1.460 ( 0.958 0.000 -0.938) 1.341 1.476 ( 0.936 0.000 7.870) 7.925 1.541 ( -3.167 0.000 -1.124) 3.360 1.563 ( 2.103 0.000 0.223) 2.115 1.590 ( 2.299 0.000 2.691) 3.540 1.629 ( 1.730 0.000 4.221) 4.562 1.691 ( -1.007 0.000 1.192) 1.560 1.710 ( 5.635 0.000 -3.948) 6.881 1.715 ( 1.715 0.000 2.377) 2.931 1.741 ( 5.204 0.000 -6.335) 8.198 1.811 ( -2.730 0.000 3.943) 4.796 1.866 ( -0.661 0.000 3.358) 3.423 1.888 ( -2.019 0.000 -1.704) 2.642 1.941 ( 2.672 0.000 1.392) 3.013 1.956 ( 1.193 0.000 0.046) 1.194 2.108 ( 5.136 0.000 -0.131) 5.137 2.133 ( -4.349 0.000 -2.277) 4.909 2.152 ( -1.713 0.000 -0.514) 1.788 2.180 ( -0.449 0.000 4.528) 4.551 2.267 ( -5.992 0.000 -1.321) 6.135 2.382 ( -0.603 0.000 -2.430) 2.503 2.417 ( -0.605 0.000 -2.713) 2.780 2.435 ( -0.385 0.000 5.727) 5.740 2.537 ( 0.961 0.000 -1.016) 1.398 2.560 ( 0.407 0.000 -3.231) 3.257 2.628 ( -0.714 0.000 3.248) 3.326 2.679 ( -4.791 0.000 0.358) 4.805 2.701 ( 0.107 0.000 4.556) 4.558 2.757 ( -2.432 0.000 -0.302) 2.451 2.806 ( -0.539 0.000 -2.455) 2.514 2.816 ( 0.713 0.000 2.065) 2.185 2.890 ( 1.084 0.000 -0.584) 1.231 2.896 ( -1.838 0.000 -0.179) 1.846 2.934 ( -4.036 0.000 -0.406) 4.056 3.019 ( -2.900 0.000 -3.046) 4.206 3.065 ( 2.042 0.000 0.002) 2.042 3.084 ( -1.611 0.000 0.852) 1.822 3.242 ( 1.860 0.000 0.359) 1.894 3.346 ( 1.238 0.000 0.368) 1.292 3.565 ( -0.004 0.000 3.036) 3.036 3.593 ( -1.157 0.000 -2.835) 3.062 4.246 ( 0.089 0.000 -0.488) 0.496 4.253 ( 1.613 0.000 -0.202) 1.626 4.515 ( -2.652 0.000 -1.046) 2.851 4.561 ( 0.563 0.000 0.745) 0.934 4.788 ( 1.927 0.000 -1.952) 2.743 4.810 ( 4.306 0.000 1.801) 4.668 4.812 ( 0.537 0.000 -2.129) 2.196 4.828 ( 3.081 0.000 3.263) 4.487 5.027 ( -1.972 0.000 0.061) 1.973 5.075 ( 1.240 0.000 0.211) 1.258 5.134 ( -0.680 0.000 1.142) 1.329 5.224 ( 0.628 0.000 -1.772) 1.880 5.644 ( -3.116 0.000 2.616) 4.068 5.816 ( -3.579 0.000 -1.329) 3.818 5.866 ( 1.185 0.000 -0.527) 1.297 6.056 ( 3.165 0.000 0.304) 3.180 6.323 ( -1.622 0.000 -0.862) 1.837 6.392 ( 0.051 0.000 -0.315) 0.319 6.443 ( -0.030 0.000 -0.078) 0.083 6.483 ( 0.110 0.000 -1.046) 1.052 6.999 ( -1.812 0.000 0.086) 1.814 7.012 ( -1.002 0.000 -0.260) 1.035 7.060 ( -0.691 0.000 1.696) 1.832 7.074 ( -1.761 0.000 -1.621) 2.393 10.102 ( -0.701 0.000 -0.002) 0.701 10.107 ( -0.901 0.000 -0.544) 1.052 10.146 ( -0.813 0.000 0.751) 1.107 10.151 ( -0.577 0.000 -0.287) 0.644 10.552 ( -1.884 0.000 -0.669) 2.000 10.629 ( -3.633 0.000 -5.247) 6.382 10.651 ( 0.921 0.000 1.887) 2.100 10.786 ( 1.756 0.000 0.894) 1.971 10.926 ( -0.313 0.000 0.804) 0.862 10.976 ( -0.058 0.000 -0.129) 0.142 10.991 ( 0.153 0.000 1.061) 1.072 11.062 ( 0.723 0.000 -0.868) 1.130 11.097 ( 0.759 0.000 1.598) 1.769 11.130 ( 1.899 0.000 0.084) 1.901 11.398 ( -0.411 0.000 1.207) 1.275 11.402 ( -1.706 0.000 -2.007) 2.635 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 2.913 0.000 -1.247) 3.169 0.821 ( -0.970 0.000 -10.691) 10.734 0.943 ( 9.887 0.000 0.840) 9.923 1.022 ( 2.513 0.000 0.342) 2.536 1.024 ( -1.583 0.000 -2.756) 3.179 1.061 ( 0.360 0.000 0.306) 0.473 1.085 ( 0.635 0.000 -0.519) 0.820 1.164 ( 0.586 0.000 -1.724) 1.821 1.165 ( 1.618 0.000 0.697) 1.762 1.285 ( -0.024 0.000 -1.145) 1.146 1.303 ( -0.945 0.000 -0.800) 1.238 1.343 ( 4.968 0.000 0.713) 5.019 1.357 ( 0.340 0.000 -1.144) 1.194 1.456 ( 1.004 0.000 -2.885) 3.055 1.477 ( 3.303 0.000 -0.215) 3.310 1.494 ( -0.047 0.000 0.502) 0.504 1.497 ( 2.758 0.000 -0.551) 2.812 1.508 ( 1.768 0.000 0.780) 1.933 1.592 ( -2.541 0.000 0.666) 2.627 1.617 ( 0.709 0.000 -1.411) 1.579 1.668 ( 1.870 0.000 -2.435) 3.070 1.692 ( -0.626 0.000 1.369) 1.505 1.703 ( 0.968 0.000 5.431) 5.517 1.779 ( -0.307 0.000 2.275) 2.295 1.788 ( -4.433 0.000 2.917) 5.307 1.842 ( 6.420 0.000 -3.433) 7.280 1.860 ( 4.252 0.000 -1.241) 4.429 1.875 ( -0.261 0.000 0.644) 0.695 1.999 ( 2.073 0.000 0.932) 2.273 2.005 ( 3.668 0.000 0.018) 3.668 2.027 ( -5.625 0.000 -2.497) 6.155 2.089 ( -3.831 0.000 -0.654) 3.886 2.120 ( -2.218 0.000 -0.737) 2.337 2.225 ( -0.981 0.000 2.363) 2.558 2.268 ( 2.983 0.000 1.345) 3.272 2.329 ( -4.109 0.000 -3.862) 5.639 2.332 ( -1.239 0.000 -0.206) 1.256 2.500 ( -0.627 0.000 4.115) 4.162 2.518 ( -2.140 0.000 -2.045) 2.960 2.548 ( 0.221 0.000 0.432) 0.485 2.598 ( -2.922 0.000 -0.692) 3.003 2.630 ( -1.200 0.000 -1.104) 1.630 2.716 ( -1.974 0.000 0.149) 1.980 2.745 ( 0.789 0.000 -2.076) 2.221 2.784 ( -0.931 0.000 4.078) 4.183 2.855 ( -0.319 0.000 -3.125) 3.142 2.859 ( 0.707 0.000 1.739) 1.878 2.908 ( 0.765 0.000 1.005) 1.263 2.909 ( -2.538 0.000 3.654) 4.449 2.945 ( -1.385 0.000 -2.108) 2.523 3.069 ( -2.126 0.000 1.780) 2.773 3.092 ( 1.266 0.000 0.388) 1.325 3.284 ( 1.714 0.000 1.369) 2.193 3.368 ( 0.611 0.000 0.264) 0.665 3.558 ( 0.187 0.000 -1.261) 1.275 3.590 ( -1.038 0.000 2.223) 2.454 4.249 ( 0.710 0.000 0.239) 0.749 4.277 ( 1.413 0.000 0.162) 1.422 4.474 ( -1.438 0.000 -0.201) 1.452 4.571 ( 0.199 0.000 -0.132) 0.239 4.787 ( 1.274 0.000 -1.602) 2.047 4.817 ( 0.850 0.000 0.500) 0.986 4.869 ( 1.067 0.000 0.839) 1.357 4.917 ( 3.571 0.000 2.674) 4.461 4.990 ( -2.329 0.000 -0.185) 2.337 5.097 ( 1.220 0.000 -0.360) 1.272 5.125 ( -1.448 0.000 0.242) 1.468 5.221 ( 0.802 0.000 -0.814) 1.143 5.625 ( -2.830 0.000 1.670) 3.286 5.754 ( -1.528 0.000 -2.317) 2.776 5.883 ( 0.373 0.000 1.343) 1.394 6.089 ( 1.583 0.000 -0.788) 1.768 6.299 ( -0.161 0.000 -0.235) 0.285 6.392 ( 0.322 0.000 -0.447) 0.551 6.441 ( -0.042 0.000 -0.147) 0.153 6.473 ( 0.020 0.000 -0.561) 0.562 6.980 ( -0.756 0.000 -0.107) 0.764 6.994 ( -0.286 0.000 -0.838) 0.885 7.037 ( -0.873 0.000 -1.010) 1.335 7.061 ( -1.249 0.000 1.050) 1.631 10.092 ( -0.060 0.000 -0.733) 0.735 10.095 ( -0.127 0.000 -0.277) 0.305 10.138 ( -1.106 0.000 0.702) 1.311 10.139 ( -0.360 0.000 -0.233) 0.429 10.534 ( -0.877 0.000 -0.890) 1.249 10.546 ( -0.461 0.000 -0.202) 0.504 10.665 ( -0.041 0.000 -0.571) 0.572 10.818 ( 0.312 0.000 1.735) 1.763 10.935 ( -0.237 0.000 1.470) 1.489 10.976 ( 0.024 0.000 0.166) 0.167 11.004 ( 0.090 0.000 0.747) 0.752 11.067 ( 1.107 0.000 -1.198) 1.632 11.113 ( -0.274 0.000 0.251) 0.372 11.158 ( 0.838 0.000 0.951) 1.267 11.361 ( -0.560 0.000 -1.951) 2.030 11.391 ( -0.802 0.000 -0.920) 1.220 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.962 0.000 1.809) 2.049 0.764 ( 7.239 0.000 -5.587) 9.144 0.956 ( -1.686 0.000 -4.591) 4.891 0.997 ( -3.257 0.000 -4.035) 5.186 1.050 ( 3.143 0.000 0.899) 3.269 1.082 ( 1.081 0.000 0.532) 1.205 1.111 ( 2.154 0.000 1.306) 2.519 1.162 ( 2.740 0.000 -3.575) 4.504 1.170 ( -2.233 0.000 -0.931) 2.419 1.259 ( -3.005 0.000 1.498) 3.358 1.302 ( 1.279 0.000 0.820) 1.519 1.368 ( 2.281 0.000 0.375) 2.312 1.377 ( -3.687 0.000 -5.258) 6.422 1.426 ( 3.810 0.000 -0.854) 3.904 1.469 ( 0.720 0.000 -4.469) 4.527 1.493 ( 1.877 0.000 -1.701) 2.533 1.519 ( -2.247 0.000 -0.935) 2.434 1.567 ( 2.393 0.000 1.730) 2.952 1.577 ( 2.774 0.000 0.737) 2.871 1.608 ( 0.304 0.000 -1.143) 1.183 1.669 ( -2.479 0.000 0.181) 2.486 1.700 ( -7.559 0.000 3.430) 8.301 1.745 ( 4.006 0.000 3.559) 5.358 1.753 ( -4.584 0.000 1.253) 4.752 1.808 ( 1.176 0.000 3.087) 3.304 1.834 ( -6.134 0.000 -1.778) 6.386 1.861 ( -0.166 0.000 2.560) 2.565 1.967 ( 8.386 0.000 -2.286) 8.692 1.989 ( -1.680 0.000 -1.844) 2.494 1.995 ( 4.222 0.000 0.714) 4.282 2.039 ( -0.815 0.000 0.707) 1.079 2.053 ( 1.485 0.000 -0.827) 1.700 2.132 ( 3.138 0.000 2.122) 3.788 2.153 ( -6.481 0.000 -3.668) 7.447 2.213 ( -2.600 0.000 -4.187) 4.929 2.244 ( -0.745 0.000 -3.899) 3.969 2.394 ( 1.515 0.000 3.416) 3.737 2.495 ( -1.969 0.000 -4.928) 5.307 2.509 ( 2.424 0.000 1.499) 2.850 2.535 ( -0.850 0.000 3.383) 3.488 2.561 ( -0.906 0.000 -1.731) 1.954 2.577 ( -0.732 0.000 -5.132) 5.184 2.719 ( -0.015 0.000 1.976) 1.976 2.729 ( 0.008 0.000 0.158) 0.158 2.811 ( -0.180 0.000 0.177) 0.252 2.824 ( -3.205 0.000 -1.897) 3.724 2.870 ( 1.647 0.000 2.814) 3.260 2.905 ( -1.670 0.000 2.544) 3.043 2.952 ( 2.381 0.000 -0.363) 2.408 2.960 ( 1.873 0.000 3.915) 4.340 3.061 ( -1.710 0.000 1.705) 2.415 3.111 ( 0.212 0.000 0.678) 0.710 3.314 ( -0.227 0.000 1.828) 1.842 3.365 ( -0.522 0.000 -0.426) 0.674 3.573 ( 1.807 0.000 0.761) 1.960 3.581 ( -2.148 0.000 0.708) 2.262 4.268 ( 0.120 0.000 1.325) 1.330 4.297 ( 0.459 0.000 0.747) 0.877 4.472 ( 0.692 0.000 0.938) 1.166 4.563 ( -0.357 0.000 -1.130) 1.185 4.803 ( 2.021 0.000 -0.088) 2.023 4.843 ( 0.448 0.000 2.282) 2.325 4.856 ( -2.128 0.000 -1.397) 2.546 4.954 ( -2.968 0.000 1.305) 3.242 4.985 ( 1.533 0.000 1.302) 2.011 5.096 ( -0.103 0.000 -1.252) 1.256 5.105 ( -0.523 0.000 -0.367) 0.639 5.226 ( 0.969 0.000 -0.814) 1.265 5.598 ( -1.914 0.000 0.487) 1.975 5.724 ( 1.215 0.000 -2.448) 2.733 5.907 ( -0.121 0.000 2.552) 2.555 6.088 ( 0.179 0.000 -1.802) 1.811 6.314 ( 0.689 0.000 1.437) 1.593 6.390 ( 0.213 0.000 -0.597) 0.634 6.440 ( 0.113 0.000 -0.073) 0.135 6.475 ( 0.683 0.000 -0.196) 0.710 6.970 ( -0.260 0.000 -0.305) 0.401 6.988 ( 0.570 0.000 -0.721) 0.919 7.032 ( 1.193 0.000 -0.161) 1.204 7.046 ( -1.312 0.000 -0.183) 1.325 10.087 ( 0.457 0.000 -0.735) 0.866 10.089 ( -0.016 0.000 -0.563) 0.563 10.132 ( -0.600 0.000 0.642) 0.878 10.139 ( 0.334 0.000 0.197) 0.387 10.519 ( 0.667 0.000 0.261) 0.716 10.606 ( 3.093 0.000 4.804) 5.714 10.640 ( -0.947 0.000 -2.367) 2.549 10.829 ( -1.046 0.000 0.925) 1.396 10.948 ( -0.335 0.000 1.122) 1.171 10.980 ( -0.007 0.000 0.398) 0.398 11.014 ( -0.700 0.000 2.201) 2.309 11.064 ( 0.601 0.000 -1.553) 1.665 11.094 ( -1.070 0.000 -1.367) 1.736 11.174 ( -0.577 0.000 1.311) 1.432 11.344 ( 1.270 0.000 -2.099) 2.453 11.358 ( -0.170 0.000 -3.155) 3.159 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -7.499 0.000 -1.937) 7.745 0.761 ( -7.859 0.000 -5.595) 9.647 0.875 ( -0.931 0.000 -3.506) 3.628 0.947 ( 6.059 0.000 -0.722) 6.102 1.076 ( -0.320 0.000 -0.525) 0.614 1.086 ( -0.195 0.000 -1.208) 1.223 1.126 ( -0.622 0.000 0.020) 0.623 1.154 ( 1.092 0.000 -3.103) 3.290 1.184 ( 4.054 0.000 2.510) 4.768 1.228 ( -5.105 0.000 -8.355) 9.791 1.261 ( -0.965 0.000 3.403) 3.537 1.323 ( 1.554 0.000 -0.882) 1.787 1.373 ( -4.946 0.000 -3.000) 5.785 1.381 ( -1.749 0.000 -1.436) 2.263 1.477 ( 2.934 0.000 -1.709) 3.396 1.488 ( 2.505 0.000 -2.299) 3.400 1.537 ( 1.363 0.000 1.511) 2.035 1.551 ( -6.024 0.000 -0.569) 6.051 1.604 ( -0.234 0.000 0.770) 0.804 1.608 ( -5.163 0.000 0.096) 5.163 1.614 ( -4.873 0.000 2.552) 5.501 1.643 ( -0.379 0.000 2.067) 2.102 1.670 ( -1.453 0.000 -1.983) 2.458 1.738 ( -3.886 0.000 0.952) 4.001 1.834 ( -0.906 0.000 0.735) 1.167 1.843 ( 3.383 0.000 0.568) 3.430 1.896 ( -1.393 0.000 2.871) 3.191 1.929 ( -6.637 0.000 -2.359) 7.044 1.968 ( 1.067 0.000 0.425) 1.148 2.034 ( -1.805 0.000 2.913) 3.427 2.077 ( -0.374 0.000 -1.818) 1.856 2.091 ( 4.212 0.000 -0.444) 4.236 2.092 ( 4.368 0.000 0.701) 4.424 2.169 ( 0.779 0.000 0.577) 0.969 2.240 ( 6.231 0.000 -3.605) 7.199 2.248 ( 7.253 0.000 3.120) 7.896 2.400 ( -1.917 0.000 -3.772) 4.232 2.422 ( -0.574 0.000 -0.445) 0.726 2.514 ( -0.414 0.000 -3.498) 3.522 2.539 ( 3.344 0.000 -2.512) 4.183 2.574 ( 0.724 0.000 1.118) 1.332 2.594 ( 5.394 0.000 1.474) 5.592 2.709 ( -4.141 0.000 0.874) 4.232 2.730 ( -2.222 0.000 0.968) 2.424 2.761 ( -1.066 0.000 -1.408) 1.766 2.832 ( 3.752 0.000 0.573) 3.796 2.917 ( 2.436 0.000 0.671) 2.526 2.937 ( -1.305 0.000 5.082) 5.247 2.991 ( 3.338 0.000 -0.558) 3.384 3.031 ( 0.206 0.000 4.395) 4.400 3.045 ( -1.440 0.000 -0.504) 1.525 3.105 ( -0.927 0.000 -0.701) 1.162 3.323 ( -1.492 0.000 2.436) 2.857 3.353 ( -0.416 0.000 -0.144) 0.440 3.549 ( -2.422 0.000 -0.040) 2.422 3.618 ( 2.356 0.000 1.173) 2.632 4.274 ( -1.045 0.000 0.894) 1.375 4.304 ( -0.946 0.000 0.936) 1.331 4.510 ( 2.077 0.000 1.432) 2.522 4.538 ( -0.526 0.000 -1.719) 1.798 4.790 ( -3.292 0.000 -2.064) 3.885 4.838 ( 1.482 0.000 0.889) 1.728 4.880 ( 0.188 0.000 3.272) 3.277 4.917 ( -5.073 0.000 3.574) 6.206 4.999 ( 0.693 0.000 -1.682) 1.819 5.069 ( -1.068 0.000 -1.645) 1.961 5.105 ( 0.044 0.000 0.452) 0.454 5.232 ( 1.618 0.000 -1.491) 2.200 5.590 ( -0.035 0.000 0.967) 0.967 5.733 ( 3.360 0.000 -2.384) 4.119 5.936 ( -0.479 0.000 3.051) 3.088 6.053 ( -1.397 0.000 -2.656) 3.002 6.339 ( 0.289 0.000 1.321) 1.352 6.386 ( 0.241 0.000 -0.649) 0.692 6.443 ( 0.148 0.000 0.247) 0.288 6.481 ( 0.746 0.000 -1.108) 1.336 6.965 ( 0.142 0.000 -0.575) 0.593 6.991 ( 0.715 0.000 -0.681) 0.987 7.021 ( -0.807 0.000 -1.169) 1.421 7.069 ( 3.049 0.000 0.729) 3.135 10.084 ( 0.284 0.000 -0.553) 0.621 10.087 ( 0.567 0.000 -0.686) 0.889 10.134 ( 0.001 0.000 0.344) 0.344 10.149 ( 0.550 0.000 0.215) 0.590 10.553 ( 1.831 0.000 1.686) 2.490 10.589 ( -1.424 0.000 -3.060) 3.375 10.729 ( 4.080 0.000 6.112) 7.349 10.801 ( -1.913 0.000 -2.114) 2.851 10.947 ( -0.489 0.000 0.067) 0.494 10.983 ( -0.054 0.000 0.284) 0.289 11.043 ( -1.894 0.000 6.328) 6.606 11.057 ( 0.700 0.000 -0.957) 1.185 11.060 ( -0.607 0.000 -1.835) 1.933 11.163 ( -1.993 0.000 0.117) 1.997 11.327 ( 1.134 0.000 -3.152) 3.350 11.346 ( 2.708 0.000 -3.273) 4.248 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -12.966 0.000 -11.828) 17.551 0.507 ( -14.433 0.000 -5.558) 15.466 0.801 ( -12.322 0.000 -2.750) 12.625 0.968 ( -7.691 0.000 0.394) 7.701 0.977 ( -2.609 0.000 -1.109) 2.835 1.064 ( 1.614 0.000 -3.438) 3.798 1.077 ( -2.157 0.000 -1.477) 2.614 1.144 ( -1.678 0.000 -1.082) 1.996 1.159 ( 3.356 0.000 -0.253) 3.366 1.267 ( 0.188 0.000 2.655) 2.662 1.286 ( -1.659 0.000 -0.007) 1.659 1.296 ( -0.543 0.000 0.641) 0.840 1.305 ( -2.198 0.000 0.665) 2.297 1.395 ( 6.470 0.000 -0.016) 6.470 1.430 ( -5.330 0.000 -1.936) 5.670 1.482 ( -0.448 0.000 -3.268) 3.298 1.508 ( 3.211 0.000 -0.468) 3.245 1.544 ( -2.973 0.000 0.186) 2.979 1.561 ( 4.382 0.000 -1.655) 4.684 1.570 ( -3.886 0.000 2.901) 4.850 1.586 ( -2.636 0.000 -0.142) 2.639 1.659 ( 0.842 0.000 -2.353) 2.500 1.720 ( -1.987 0.000 1.836) 2.706 1.721 ( 2.956 0.000 5.407) 6.163 1.779 ( -5.421 0.000 1.660) 5.669 1.817 ( -0.659 0.000 -0.196) 0.687 1.864 ( -0.254 0.000 -0.936) 0.970 1.930 ( -0.604 0.000 -0.966) 1.139 2.015 ( 2.666 0.000 2.057) 3.367 2.045 ( -0.841 0.000 -0.722) 1.108 2.049 ( -1.811 0.000 0.721) 1.949 2.128 ( 0.570 0.000 0.547) 0.790 2.130 ( 3.250 0.000 -0.906) 3.374 2.193 ( 0.025 0.000 -0.970) 0.971 2.291 ( 5.004 0.000 -4.600) 6.797 2.389 ( 4.351 0.000 3.285) 5.452 2.404 ( 1.380 0.000 5.432) 5.605 2.443 ( 4.842 0.000 2.485) 5.443 2.480 ( 0.445 0.000 -2.338) 2.380 2.571 ( -0.929 0.000 -1.171) 1.495 2.600 ( 4.730 0.000 1.341) 4.917 2.654 ( -3.550 0.000 1.025) 3.695 2.662 ( -2.126 0.000 -0.845) 2.287 2.713 ( 6.233 0.000 -0.758) 6.279 2.765 ( 0.617 0.000 1.127) 1.285 2.907 ( 2.804 0.000 1.056) 2.996 2.957 ( -1.414 0.000 2.377) 2.766 2.969 ( 2.724 0.000 1.096) 2.936 3.010 ( -3.385 0.000 -1.010) 3.533 3.012 ( -0.146 0.000 -1.903) 1.909 3.043 ( 0.762 0.000 1.175) 1.400 3.097 ( 0.253 0.000 -0.243) 0.350 3.334 ( -0.669 0.000 2.699) 2.781 3.354 ( 1.010 0.000 -0.455) 1.108 3.507 ( -2.692 0.000 -0.579) 2.754 3.667 ( 2.325 0.000 0.977) 2.522 4.263 ( -0.988 0.000 0.244) 1.017 4.285 ( -2.206 0.000 -0.126) 2.210 4.515 ( 0.064 0.000 -1.315) 1.316 4.556 ( 2.003 0.000 0.857) 2.178 4.720 ( -3.142 0.000 -1.271) 3.389 4.852 ( -1.177 0.000 0.856) 1.456 4.906 ( -3.649 0.000 7.041) 7.931 4.918 ( -0.162 0.000 2.756) 2.761 4.978 ( 0.422 0.000 -2.798) 2.829 5.034 ( -0.443 0.000 -1.776) 1.831 5.108 ( -0.848 0.000 1.192) 1.463 5.243 ( 2.134 0.000 -1.654) 2.700 5.623 ( 2.088 0.000 2.182) 3.020 5.765 ( 4.248 0.000 -2.240) 4.802 5.958 ( -1.164 0.000 2.923) 3.147 5.985 ( -3.199 0.000 -2.958) 4.357 6.352 ( 0.023 0.000 0.702) 0.703 6.382 ( 0.644 0.000 -1.912) 2.017 6.449 ( 0.151 0.000 0.321) 0.354 6.460 ( -0.366 0.000 -3.374) 3.394 6.954 ( -0.073 0.000 -2.004) 2.005 6.993 ( 0.576 0.000 -0.538) 0.788 7.001 ( -0.141 0.000 -0.660) 0.675 7.129 ( 3.291 0.000 0.622) 3.349 10.087 ( 0.889 0.000 -0.385) 0.968 10.089 ( 0.668 0.000 -0.615) 0.908 10.135 ( -0.035 0.000 -0.197) 0.200 10.157 ( 0.159 0.000 0.149) 0.218 10.538 ( -0.968 0.000 -2.153) 2.360 10.599 ( 1.341 0.000 1.649) 2.125 10.720 ( -2.064 0.000 -6.827) 7.132 10.842 ( 2.394 0.000 3.688) 4.396 10.941 ( -0.802 0.000 0.688) 1.057 10.987 ( 0.304 0.000 0.278) 0.412 11.030 ( -0.668 0.000 -1.041) 1.237 11.065 ( 0.872 0.000 -0.420) 0.968 11.117 ( -1.091 0.000 10.767) 10.823 11.132 ( -0.781 0.000 -0.453) 0.903 11.317 ( 0.979 0.000 -1.762) 2.015 11.337 ( 2.634 0.000 -6.353) 6.878 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( -6.172 0.000 12.638) 14.065 0.252 ( -13.980 0.000 4.032) 14.550 0.487 ( -25.484 0.000 8.526) 26.872 0.905 ( -1.965 0.000 -2.890) 3.495 0.951 ( 0.437 0.000 -0.584) 0.730 1.033 ( -2.026 0.000 -0.901) 2.218 1.046 ( 1.572 0.000 -3.968) 4.268 1.105 ( -3.049 0.000 2.188) 3.753 1.183 ( 0.876 0.000 -0.710) 1.128 1.248 ( -2.180 0.000 -0.371) 2.211 1.256 ( -1.721 0.000 -1.127) 2.057 1.308 ( 0.397 0.000 -0.474) 0.619 1.312 ( 0.182 0.000 0.708) 0.731 1.372 ( 1.006 0.000 -2.582) 2.771 1.425 ( 0.515 0.000 1.875) 1.945 1.497 ( -0.145 0.000 0.478) 0.499 1.499 ( -3.142 0.000 0.350) 3.162 1.552 ( -1.982 0.000 1.875) 2.728 1.567 ( 2.325 0.000 0.006) 2.325 1.579 ( 4.045 0.000 -3.147) 5.125 1.609 ( 3.569 0.000 -0.612) 3.621 1.641 ( -0.741 0.000 -0.127) 0.751 1.702 ( -0.268 0.000 0.243) 0.362 1.763 ( -1.148 0.000 2.980) 3.193 1.797 ( -1.741 0.000 0.499) 1.811 1.831 ( 1.347 0.000 0.737) 1.536 1.831 ( -2.464 0.000 -1.042) 2.675 1.902 ( 1.474 0.000 0.036) 1.474 2.016 ( -1.329 0.000 0.194) 1.344 2.031 ( -0.997 0.000 1.090) 1.477 2.075 ( 2.023 0.000 0.985) 2.251 2.116 ( -0.069 0.000 -3.959) 3.960 2.170 ( -1.750 0.000 0.191) 1.760 2.173 ( 1.917 0.000 0.605) 2.010 2.312 ( 4.154 0.000 -3.089) 5.177 2.446 ( -1.111 0.000 -2.877) 3.084 2.461 ( 0.659 0.000 1.586) 1.718 2.495 ( 0.231 0.000 3.608) 3.615 2.541 ( -0.599 0.000 0.000) 0.599 2.578 ( 3.949 0.000 4.775) 6.197 2.619 ( 3.224 0.000 -3.250) 4.577 2.633 ( -1.984 0.000 2.524) 3.211 2.709 ( 3.797 0.000 -2.579) 4.590 2.779 ( 1.421 0.000 1.795) 2.290 2.819 ( 4.056 0.000 3.308) 5.234 2.911 ( -0.711 0.000 -1.750) 1.889 2.920 ( -2.326 0.000 -3.271) 4.013 2.957 ( -1.282 0.000 1.821) 2.227 2.991 ( 1.023 0.000 -0.378) 1.091 3.044 ( 3.034 0.000 -0.136) 3.037 3.052 ( -3.052 0.000 2.202) 3.764 3.074 ( -1.146 0.000 -3.331) 3.522 3.365 ( 1.591 0.000 -1.737) 2.355 3.367 ( 1.067 0.000 1.456) 1.805 3.453 ( -3.138 0.000 -0.055) 3.139 3.711 ( 1.859 0.000 0.147) 1.865 4.241 ( -1.603 0.000 -1.209) 2.008 4.254 ( -0.258 0.000 -0.099) 0.276 4.514 ( 0.781 0.000 -0.080) 0.785 4.585 ( 1.097 0.000 -0.009) 1.097 4.676 ( -1.759 0.000 0.529) 1.837 4.827 ( -2.067 0.000 -0.305) 2.090 4.862 ( -5.403 0.000 -10.964) 12.223 4.920 ( -1.629 0.000 -0.239) 1.646 5.030 ( 1.160 0.000 0.008) 1.160 5.031 ( 2.352 0.000 5.983) 6.428 5.112 ( -1.187 0.000 2.175) 2.478 5.254 ( 1.716 0.000 -1.773) 2.467 5.695 ( 2.641 0.000 2.920) 3.937 5.818 ( 4.609 0.000 -0.237) 4.616 5.901 ( -3.157 0.000 -1.956) 3.714 5.972 ( -0.772 0.000 3.730) 3.809 6.302 ( -2.950 0.000 -4.844) 5.672 6.358 ( -0.129 0.000 0.455) 0.473 6.429 ( -0.125 0.000 0.119) 0.173 6.454 ( 0.089 0.000 0.195) 0.214 6.941 ( 1.414 0.000 3.862) 4.112 6.998 ( 0.492 0.000 0.018) 0.493 7.004 ( 0.246 0.000 0.886) 0.919 7.170 ( 1.856 0.000 -0.630) 1.960 10.088 ( 0.170 0.000 0.113) 0.204 10.102 ( 1.330 0.000 -0.032) 1.330 10.134 ( 0.236 0.000 0.246) 0.341 10.157 ( -0.515 0.000 0.240) 0.568 10.519 ( 0.180 0.000 0.106) 0.209 10.583 ( -3.858 0.000 -6.349) 7.429 10.625 ( 0.098 0.000 0.938) 0.943 10.877 ( 0.061 0.000 -0.302) 0.308 10.938 ( -0.874 0.000 1.051) 1.367 10.997 ( 0.180 0.000 0.391) 0.430 11.016 ( -0.003 0.000 -0.354) 0.354 11.056 ( 0.211 0.000 -1.783) 1.795 11.141 ( 0.936 0.000 0.061) 0.938 11.229 ( -4.293 0.000 -9.557) 10.477 11.300 ( 5.999 0.000 12.739) 14.081 11.318 ( 0.644 0.000 0.214) 0.678 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 1.460 9.905 8.248) 12.972 0.444 ( -1.052 11.397 10.609) 15.606 0.840 ( 4.644 13.976 12.978) 19.629 0.889 ( 2.876 4.902 1.208) 5.810 0.948 ( -1.192 -0.700 -2.511) 2.866 0.978 ( 2.694 -1.821 0.367) 3.273 1.055 ( 1.865 2.072 -0.503) 2.833 1.126 ( -0.197 -1.402 1.923) 2.388 1.169 ( -1.365 -0.829 2.293) 2.794 1.209 ( 0.602 1.811 -1.083) 2.194 1.243 ( 0.124 1.400 -0.564) 1.515 1.277 ( 0.662 -1.262 -0.324) 1.462 1.353 ( 0.780 2.119 -0.300) 2.277 1.379 ( 0.582 -0.873 -0.913) 1.391 1.395 ( 1.231 -2.062 -0.249) 2.415 1.442 ( -3.138 -2.724 0.723) 4.218 1.501 ( -0.909 -0.086 0.164) 0.928 1.524 ( -0.267 -2.442 -4.036) 4.725 1.576 ( 1.460 0.844 -3.065) 3.498 1.609 ( 0.388 2.419 -0.594) 2.521 1.660 ( 0.681 -1.666 1.991) 2.684 1.665 ( -2.332 2.122 1.490) 3.487 1.675 ( 0.209 1.340 0.162) 1.366 1.744 ( 2.578 1.412 1.138) 3.151 1.768 ( -2.584 0.907 0.373) 2.764 1.811 ( -1.366 0.372 -1.012) 1.740 1.877 ( -1.338 2.039 -1.958) 3.128 1.947 ( 0.421 1.036 0.117) 1.125 1.986 ( -0.476 -2.796 -1.210) 3.083 2.002 ( 0.065 -2.499 1.198) 2.772 2.079 ( -0.371 0.561 0.224) 0.709 2.117 ( -1.734 3.350 -0.841) 3.865 2.156 ( 2.035 0.316 2.756) 3.441 2.223 ( 0.355 1.547 -0.592) 1.694 2.318 ( 1.964 -1.011 -0.277) 2.226 2.352 ( -1.970 -5.130 -0.871) 5.564 2.387 ( 1.279 -2.544 -0.962) 3.006 2.462 ( -4.779 -3.114 0.499) 5.725 2.523 ( -1.593 0.301 -3.984) 4.301 2.566 ( -1.031 0.790 4.158) 4.356 2.624 ( -0.373 -0.188 0.855) 0.951 2.637 ( -0.762 2.616 -0.159) 2.729 2.685 ( 5.524 -2.604 -0.677) 6.144 2.754 ( -1.138 -2.640 1.046) 3.059 2.855 ( -3.423 -2.393 -0.109) 4.178 2.867 ( 0.930 0.992 0.256) 1.384 2.941 ( 1.080 -0.028 -0.950) 1.438 2.955 ( -1.104 -1.688 -2.792) 3.444 2.972 ( 1.540 -4.208 -1.522) 4.733 2.998 ( -0.859 1.397 0.084) 1.642 3.047 ( -0.109 0.380 0.281) 0.486 3.081 ( 1.348 -1.835 -0.578) 2.349 3.318 ( -2.022 -0.124 -1.625) 2.597 3.360 ( -0.364 0.077 -1.535) 1.579 3.507 ( 1.089 3.508 2.166) 4.264 3.677 ( -0.478 -1.156 -1.570) 2.008 4.235 ( -0.206 -0.138 0.400) 0.470 4.248 ( -0.088 -0.424 0.145) 0.456 4.528 ( -0.042 0.315 0.576) 0.658 4.576 ( -0.155 -1.196 -0.537) 1.320 4.670 ( 0.266 1.292 1.588) 2.064 4.697 ( 0.674 1.248 2.228) 2.641 4.797 ( -0.661 0.210 -1.428) 1.588 4.874 ( -0.988 -0.990 -1.797) 2.277 4.953 ( 0.067 -1.700 2.714) 3.203 5.059 ( -1.261 -2.837 0.485) 3.142 5.161 ( 0.638 3.329 -1.217) 3.602 5.250 ( 0.491 -0.377 -2.064) 2.155 5.825 ( -1.948 2.313 -2.798) 4.120 5.852 ( -1.679 0.977 -1.663) 2.557 5.923 ( 4.352 4.079 -1.219) 6.089 5.980 ( -3.790 2.601 -2.373) 5.173 6.351 ( 0.135 -0.576 0.717) 0.929 6.376 ( 2.006 -2.186 0.984) 3.126 6.443 ( 0.782 0.552 0.615) 1.137 6.463 ( 1.214 -0.047 0.511) 1.318 6.974 ( 0.186 -1.331 2.225) 2.599 7.005 ( 0.742 -1.358 1.448) 2.119 7.100 ( 0.130 1.922 -2.053) 2.815 7.178 ( 0.363 0.144 -1.679) 1.724 10.114 ( -0.117 -0.102 1.109) 1.119 10.127 ( 1.231 0.492 0.435) 1.395 10.134 ( -0.677 0.116 0.212) 0.719 10.184 ( 0.154 0.469 -0.753) 0.900 10.541 ( 0.726 0.322 2.166) 2.307 10.593 ( 2.394 -1.008 2.806) 3.824 10.757 ( 3.569 4.940 -5.755) 8.382 10.845 ( -1.835 -0.129 -3.643) 4.081 10.940 ( -1.126 0.925 0.448) 1.525 10.994 ( -0.931 0.206 0.869) 1.290 11.014 ( -2.217 -0.790 -0.695) 2.454 11.039 ( -1.333 0.408 -1.381) 1.962 11.050 ( 1.758 0.268 -0.082) 1.780 11.137 ( -2.549 -0.069 -1.253) 2.841 11.342 ( 1.534 0.421 2.681) 3.117 11.450 ( 1.924 -2.067 -0.258) 2.835 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 9.623 8.264 6.625) 14.311 0.647 ( 7.606 5.781 11.474) 14.930 0.861 ( 0.074 4.459 -5.123) 6.792 0.920 ( 5.516 -1.249 -2.463) 6.169 1.023 ( 3.047 -0.999 -0.114) 3.208 1.061 ( 0.822 -0.044 -0.217) 0.851 1.132 ( 5.428 3.052 3.153) 6.980 1.146 ( -0.681 -2.788 1.114) 3.078 1.207 ( 2.474 -0.418 -2.033) 3.230 1.230 ( 1.957 0.207 2.618) 3.275 1.270 ( 2.251 2.428 2.223) 3.988 1.285 ( 0.603 1.155 -2.319) 2.660 1.344 ( -1.610 -2.961 -0.425) 3.397 1.376 ( 1.572 3.772 5.321) 6.709 1.403 ( -1.484 -1.618 0.097) 2.198 1.454 ( 5.443 0.643 2.267) 5.931 1.466 ( -2.120 -0.799 -0.816) 2.408 1.503 ( 0.013 -3.079 -1.892) 3.614 1.566 ( 0.904 -0.031 -1.195) 1.499 1.609 ( -0.349 1.859 1.448) 2.382 1.628 ( 0.240 2.094 0.104) 2.111 1.673 ( -4.088 0.524 0.313) 4.133 1.714 ( -0.283 0.436 1.162) 1.273 1.727 ( 0.768 4.140 0.863) 4.298 1.779 ( 1.077 1.021 2.638) 3.027 1.816 ( -1.475 -0.259 -0.306) 1.529 1.857 ( 3.785 3.378 -2.390) 5.608 1.922 ( -1.939 -1.721 -3.540) 4.388 1.948 ( -0.639 0.866 -1.698) 2.010 2.026 ( -1.101 2.626 0.331) 2.867 2.033 ( -0.142 0.434 -1.768) 1.826 2.106 ( 3.111 0.790 -0.365) 3.231 2.199 ( -1.951 0.460 -0.335) 2.032 2.202 ( -0.973 -0.031 0.814) 1.269 2.325 ( -2.213 -2.939 0.140) 3.682 2.360 ( 1.200 -0.265 2.567) 2.846 2.394 ( -0.165 -0.779 -0.521) 0.951 2.466 ( 1.349 -0.559 -2.667) 3.040 2.489 ( 0.651 -4.994 6.570) 8.278 2.569 ( -0.246 0.788 -1.432) 1.653 2.609 ( -1.565 1.211 -1.422) 2.437 2.630 ( -2.100 -1.397 2.588) 3.613 2.736 ( -1.597 -2.418 0.297) 2.913 2.742 ( 2.749 -0.706 -1.852) 3.388 2.790 ( -3.387 -2.467 0.702) 4.249 2.856 ( -0.879 0.084 -0.699) 1.126 2.902 ( -0.293 0.176 -3.242) 3.260 2.947 ( -0.642 0.099 -1.507) 1.641 2.964 ( -1.277 -2.640 -0.782) 3.035 3.000 ( 1.224 -1.580 0.079) 2.000 3.049 ( -0.418 -1.766 0.044) 1.815 3.083 ( -0.139 -1.537 -0.812) 1.744 3.261 ( -2.528 1.608 -0.835) 3.110 3.334 ( -0.353 -0.078 -1.203) 1.257 3.551 ( 0.686 2.320 2.335) 3.362 3.644 ( -0.912 -0.242 -2.206) 2.399 4.237 ( 0.367 0.095 0.233) 0.445 4.251 ( 0.252 -0.018 -0.006) 0.253 4.540 ( 0.424 -0.091 0.846) 0.951 4.557 ( -1.425 -0.688 -0.897) 1.819 4.726 ( 3.227 0.482 1.512) 3.596 4.752 ( 1.759 0.316 2.515) 3.085 4.784 ( 2.015 0.623 -1.517) 2.598 4.846 ( 0.829 0.514 -2.496) 2.679 4.994 ( 0.631 -2.753 3.167) 4.243 5.039 ( -1.278 -2.480 -0.446) 2.826 5.161 ( 0.367 2.513 -0.141) 2.543 5.236 ( 0.786 -0.409 -2.461) 2.615 5.723 ( -5.203 4.146 -0.097) 6.653 5.850 ( -0.774 -0.688 0.270) 1.070 5.912 ( -1.741 2.516 -1.932) 3.619 5.994 ( 3.949 0.703 0.801) 4.090 6.351 ( -0.716 0.039 0.307) 0.780 6.388 ( 0.037 -1.237 -0.031) 1.238 6.450 ( -0.241 0.550 -0.078) 0.606 6.483 ( 0.894 -0.240 -0.478) 1.042 6.990 ( -0.618 -1.077 1.443) 1.903 7.030 ( 0.039 -1.803 1.237) 2.187 7.069 ( -1.572 2.166 -0.505) 2.724 7.136 ( -1.972 0.499 -2.508) 3.229 10.107 ( -1.554 -0.407 0.504) 1.683 10.119 ( -1.407 -0.377 0.051) 1.457 10.149 ( 0.533 0.804 0.763) 1.230 10.183 ( 0.286 1.128 -0.360) 1.218 10.577 ( -0.942 0.150 1.950) 2.171 10.626 ( -0.522 0.520 1.775) 1.922 10.750 ( -1.101 0.742 -5.044) 5.216 10.763 ( 1.719 0.826 -2.895) 3.467 10.928 ( -0.920 0.206 0.385) 1.018 10.969 ( -1.732 -0.650 0.239) 1.866 10.998 ( 0.106 0.901 0.606) 1.091 11.032 ( 0.168 -1.328 -0.068) 1.340 11.088 ( 1.314 0.914 0.525) 1.684 11.115 ( 1.574 0.575 -0.270) 1.697 11.379 ( 0.010 0.026 1.769) 1.769 11.437 ( -1.352 -1.450 -1.398) 2.426 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 7.885 6.031 4.301) 10.819 0.811 ( 6.010 4.714 -5.277) 9.283 0.876 ( 5.653 4.521 4.769) 8.668 0.990 ( 4.951 -2.125 -0.523) 5.413 1.032 ( 0.341 -2.627 -2.569) 3.690 1.048 ( -0.982 1.389 -3.143) 3.574 1.099 ( -1.565 -0.519 -1.251) 2.070 1.186 ( -2.249 -0.144 -1.127) 2.519 1.213 ( 1.051 2.250 -0.746) 2.593 1.265 ( 1.118 -1.575 -0.720) 2.062 1.277 ( 3.100 -0.139 -1.050) 3.276 1.294 ( 6.201 0.555 -2.169) 6.593 1.359 ( -1.296 -1.958 0.969) 2.540 1.391 ( 1.074 -1.869 -0.258) 2.171 1.446 ( 3.853 -1.855 -0.821) 4.354 1.460 ( -0.494 -0.437 1.254) 1.417 1.505 ( 2.131 -1.509 1.670) 3.099 1.542 ( -3.235 2.009 0.610) 3.856 1.565 ( -2.588 1.563 0.523) 3.069 1.603 ( 0.513 3.179 2.793) 4.263 1.660 ( 4.862 -2.060 -0.526) 5.307 1.691 ( 2.997 2.076 0.812) 3.735 1.722 ( -0.806 2.167 0.853) 2.464 1.742 ( 2.312 2.031 1.068) 3.257 1.768 ( 0.568 2.764 -4.636) 5.427 1.819 ( -1.892 1.459 2.453) 3.425 1.867 ( 0.183 -0.579 -2.356) 2.433 1.888 ( 1.558 1.761 1.635) 2.864 1.959 ( 2.137 0.670 0.484) 2.291 2.006 ( 0.954 5.766 0.976) 5.925 2.088 ( 2.402 -1.447 3.080) 4.165 2.118 ( -4.101 -0.700 -2.755) 4.990 2.160 ( 0.849 -0.210 0.506) 1.011 2.183 ( -1.580 0.213 -0.308) 1.624 2.256 ( -4.359 -0.214 0.525) 4.396 2.399 ( 0.848 0.787 -1.689) 2.047 2.422 ( 2.027 -0.725 2.029) 2.958 2.432 ( -2.694 0.449 1.252) 3.004 2.516 ( 0.027 -1.519 -4.162) 4.431 2.573 ( -0.746 0.163 -1.116) 1.352 2.614 ( 2.509 -2.844 4.091) 5.579 2.638 ( -1.258 -3.433 4.558) 5.843 2.699 ( -3.341 0.277 0.084) 3.354 2.718 ( -2.184 -1.459 -0.832) 2.755 2.801 ( 0.010 -1.567 1.886) 2.452 2.828 ( -0.358 0.593 -1.747) 1.879 2.864 ( -0.824 -0.707 -1.515) 1.864 2.906 ( -2.582 -0.521 -1.939) 3.271 2.935 ( -1.014 0.004 0.504) 1.132 3.011 ( -0.829 -1.965 -0.611) 2.219 3.025 ( -0.433 -2.632 -0.831) 2.794 3.072 ( -0.370 -1.391 0.040) 1.440 3.242 ( 0.160 0.431 0.654) 0.799 3.329 ( 0.102 -1.486 0.319) 1.524 3.575 ( -0.284 1.096 0.931) 1.466 3.608 ( -0.775 1.030 -0.973) 1.615 4.247 ( 0.513 0.219 -0.117) 0.570 4.259 ( 1.237 0.394 -0.183) 1.311 4.515 ( -2.243 0.147 -0.929) 2.433 4.555 ( 0.342 -0.646 0.552) 0.916 4.771 ( 1.690 -1.249 -1.082) 2.364 4.779 ( 1.486 -1.390 -0.397) 2.073 4.844 ( 4.123 1.578 1.697) 4.729 4.858 ( 2.320 2.569 0.498) 3.497 5.014 ( -0.973 -1.365 -0.292) 1.702 5.037 ( 0.765 -2.638 1.852) 3.313 5.163 ( -0.116 1.914 0.021) 1.918 5.220 ( 0.618 -0.445 -1.926) 2.071 5.667 ( -3.682 2.301 1.678) 4.655 5.805 ( -4.043 -1.397 -0.387) 4.295 5.900 ( 1.297 3.493 -0.610) 3.775 6.052 ( 2.615 -0.562 0.317) 2.693 6.335 ( -1.132 1.067 -0.556) 1.652 6.388 ( 0.177 -0.536 -0.204) 0.601 6.445 ( -0.019 0.375 -0.161) 0.408 6.479 ( -0.136 -0.410 -0.879) 0.980 6.990 ( -0.810 -0.267 0.625) 1.057 7.023 ( -0.928 -0.017 -0.966) 1.340 7.054 ( -1.212 0.270 1.349) 1.833 7.081 ( -2.015 0.293 -1.230) 2.379 10.088 ( -1.163 -0.887 0.128) 1.469 10.095 ( -1.295 -0.775 -0.382) 1.557 10.158 ( -0.340 1.297 0.500) 1.431 10.178 ( -0.393 1.626 -0.241) 1.690 10.545 ( -2.334 -0.303 -0.623) 2.435 10.603 ( -3.431 -1.867 -2.918) 4.875 10.695 ( 0.810 3.412 -0.040) 3.507 10.793 ( 1.860 0.454 0.573) 1.999 10.925 ( -0.371 -0.098 0.746) 0.839 10.959 ( -0.367 -1.181 0.514) 1.339 11.001 ( -0.174 0.409 0.196) 0.486 11.046 ( 1.320 -1.409 0.432) 1.979 11.101 ( 0.989 1.213 -0.493) 1.640 11.158 ( 1.964 1.725 1.177) 2.867 11.384 ( -0.934 -1.166 0.012) 1.494 11.397 ( -1.494 -0.691 -0.869) 1.861 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.386 6.949 -2.835) 8.234 0.861 ( -0.595 4.253 -7.346) 8.509 0.951 ( 6.398 -0.297 -1.080) 6.495 0.978 ( 0.020 -1.882 -0.602) 1.976 1.023 ( 1.792 -0.567 -1.526) 2.421 1.073 ( 0.166 -0.578 0.076) 0.607 1.093 ( 2.825 3.122 -0.434) 4.233 1.155 ( 0.346 0.540 -0.557) 0.850 1.209 ( 0.212 2.486 0.495) 2.544 1.266 ( -0.836 -1.604 0.099) 1.812 1.323 ( 1.850 0.083 -2.100) 2.799 1.356 ( 5.292 0.857 0.663) 5.402 1.375 ( 0.937 1.210 -0.963) 1.808 1.413 ( 2.391 -2.334 -0.952) 3.474 1.447 ( 0.289 -2.926 -0.623) 3.006 1.465 ( -0.720 -0.577 -1.153) 1.477 1.525 ( 1.281 -0.973 1.546) 2.231 1.550 ( -1.609 3.176 0.448) 3.588 1.566 ( 0.002 -1.877 -2.377) 3.029 1.604 ( 2.490 -0.644 4.030) 4.781 1.678 ( -1.575 1.885 -0.314) 2.476 1.702 ( 1.319 2.029 -2.347) 3.371 1.758 ( 2.847 0.791 2.155) 3.657 1.767 ( 0.841 1.440 0.864) 1.878 1.788 ( -3.632 1.055 0.587) 3.827 1.837 ( 4.592 0.010 0.795) 4.661 1.861 ( 2.612 0.768 -0.250) 2.734 1.900 ( -0.922 0.468 -1.185) 1.573 1.998 ( -1.417 -0.576 -1.024) 1.840 2.008 ( -0.956 -0.006 -2.040) 2.252 2.042 ( 1.135 2.306 1.285) 2.874 2.108 ( -3.202 2.271 -0.182) 3.930 2.126 ( -1.583 0.988 -0.246) 1.882 2.180 ( 1.058 -3.144 -0.277) 3.329 2.297 ( 1.446 2.080 1.426) 2.907 2.348 ( -0.875 2.351 -3.277) 4.127 2.394 ( -2.175 4.709 0.009) 5.187 2.455 ( -0.790 -2.082 2.768) 3.552 2.527 ( 2.106 -0.548 -0.397) 2.212 2.552 ( -1.023 -2.026 -0.742) 2.387 2.613 ( -3.664 1.304 0.648) 3.943 2.637 ( -3.090 2.082 -2.434) 4.451 2.653 ( -0.129 -2.893 1.809) 3.415 2.748 ( 2.508 -3.831 2.245) 5.100 2.768 ( -2.493 -1.542 -0.303) 2.946 2.830 ( -2.913 -0.087 0.431) 2.946 2.842 ( 0.413 -2.691 0.128) 2.726 2.891 ( 2.061 0.633 2.046) 2.972 2.910 ( -1.965 -0.761 -1.322) 2.488 2.984 ( -0.848 1.819 0.356) 2.038 3.025 ( -0.931 -4.354 1.340) 4.650 3.077 ( 0.076 -1.492 1.050) 1.826 3.268 ( 1.092 -1.195 1.448) 2.172 3.335 ( -0.069 -2.738 0.307) 2.756 3.567 ( 0.310 1.014 -0.807) 1.332 3.603 ( -1.029 0.833 1.239) 1.813 4.254 ( 0.654 0.491 0.080) 0.822 4.280 ( 1.221 0.195 0.201) 1.253 4.480 ( -1.189 0.720 -0.226) 1.408 4.560 ( 0.074 -1.135 -0.248) 1.164 4.778 ( 1.238 -0.751 -1.050) 1.789 4.792 ( 0.978 -1.810 -0.015) 2.057 4.896 ( 0.831 2.360 0.721) 2.604 4.928 ( 3.567 1.093 2.078) 4.270 4.998 ( -1.032 0.516 0.209) 1.173 5.059 ( 0.047 -2.521 0.718) 2.622 5.156 ( -0.387 1.822 -0.584) 1.952 5.215 ( 0.630 -0.586 -0.644) 1.075 5.636 ( -2.833 1.231 1.275) 3.341 5.744 ( -2.136 -1.231 -1.551) 2.913 5.917 ( 0.344 3.349 1.016) 3.517 6.080 ( 1.259 -1.024 -0.583) 1.724 6.317 ( -0.141 1.667 -0.256) 1.693 6.389 ( 0.323 -0.374 -0.447) 0.666 6.445 ( 0.065 0.377 -0.071) 0.389 6.468 ( 0.023 -0.456 -0.532) 0.701 6.984 ( -0.509 0.375 0.035) 0.633 6.999 ( -0.265 0.405 -1.006) 1.117 7.038 ( -0.941 0.168 -0.674) 1.169 7.057 ( -1.433 -0.425 0.945) 1.768 10.075 ( -0.655 -1.081 -0.513) 1.364 10.077 ( -0.289 -1.267 -0.119) 1.305 10.153 ( -0.373 1.606 -0.060) 1.649 10.170 ( -0.634 1.805 0.287) 1.934 10.520 ( -0.893 -1.124 -0.303) 1.467 10.530 ( -0.900 -1.388 -0.951) 1.908 10.708 ( 0.109 3.796 0.051) 3.798 10.823 ( 0.393 0.331 1.517) 1.602 10.933 ( -0.213 -0.250 1.281) 1.322 10.963 ( -0.142 -1.087 0.747) 1.327 11.003 ( -0.045 -0.018 0.480) 0.483 11.071 ( 1.208 -1.646 0.095) 2.044 11.103 ( 0.375 2.000 -1.121) 2.323 11.188 ( 0.460 1.957 0.864) 2.188 11.355 ( -0.512 -0.670 -1.753) 1.945 11.374 ( -0.916 -1.643 -1.157) 2.209 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 4.109 4.956 -4.310) 7.747 0.819 ( 2.004 5.894 -0.480) 6.244 0.935 ( 0.543 -1.768 -3.780) 4.208 0.998 ( -1.087 -0.448 -3.037) 3.256 1.041 ( 0.498 -0.198 -0.558) 0.774 1.071 ( -0.022 -0.206 -0.001) 0.207 1.118 ( 2.979 0.609 -1.363) 3.333 1.141 ( -0.651 0.569 -0.250) 0.900 1.213 ( -0.590 1.723 -1.832) 2.583 1.260 ( -2.427 -1.195 2.259) 3.525 1.307 ( 2.720 -0.969 -3.292) 4.379 1.381 ( 1.917 1.286 -0.516) 2.365 1.408 ( -0.755 1.955 -2.588) 3.330 1.418 ( 1.566 -1.393 -1.661) 2.674 1.446 ( -0.996 -0.725 -0.039) 1.233 1.465 ( 1.083 -1.039 -0.333) 1.537 1.495 ( 0.130 0.353 -1.443) 1.491 1.523 ( -1.268 -3.287 -0.095) 3.525 1.610 ( 2.462 0.580 0.846) 2.667 1.644 ( -3.765 -1.866 3.558) 5.505 1.679 ( 1.025 3.148 -0.478) 3.345 1.712 ( -0.443 2.931 -0.412) 2.992 1.735 ( -0.185 -0.217 0.696) 0.752 1.754 ( -3.691 0.914 1.766) 4.193 1.806 ( 0.426 -0.082 -1.857) 1.907 1.839 ( -4.536 -0.008 1.815) 4.886 1.885 ( 1.013 -0.076 2.832) 3.009 1.957 ( 3.335 -2.785 -0.163) 4.348 1.962 ( 5.731 2.041 -1.222) 6.205 2.016 ( 0.254 1.047 -0.783) 1.332 2.078 ( -0.222 2.945 1.200) 3.188 2.080 ( 0.088 3.242 -0.835) 3.349 2.103 ( -1.559 -2.026 -0.111) 2.559 2.149 ( -0.154 -0.547 -2.221) 2.293 2.223 ( -2.688 2.211 -4.051) 5.340 2.293 ( -1.513 2.672 -4.855) 5.744 2.427 ( 0.344 2.834 2.169) 3.585 2.482 ( 0.737 -0.901 1.868) 2.201 2.485 ( -2.292 -1.344 -4.591) 5.304 2.537 ( 0.387 0.679 -1.448) 1.646 2.580 ( -0.227 2.424 0.461) 2.478 2.616 ( 1.056 0.664 0.568) 1.370 2.663 ( -0.342 -0.733 0.800) 1.138 2.742 ( -2.444 -5.431 -2.127) 6.324 2.767 ( -0.417 0.737 2.381) 2.527 2.814 ( 0.485 -2.055 1.538) 2.612 2.866 ( 0.054 -1.100 0.108) 1.107 2.887 ( 0.427 -0.632 2.715) 2.820 2.962 ( 2.433 -0.120 2.853) 3.751 2.984 ( 0.299 2.320 0.761) 2.460 3.029 ( -0.848 -3.885 1.572) 4.276 3.087 ( -0.852 -1.947 1.039) 2.365 3.294 ( -0.480 -1.776 1.876) 2.627 3.333 ( -0.278 -2.720 0.088) 2.736 3.578 ( 0.786 0.600 0.426) 1.077 3.593 ( -0.913 0.796 0.294) 1.247 4.267 ( 0.139 -0.002 0.776) 0.788 4.295 ( 0.136 -0.293 0.440) 0.546 4.479 ( 0.662 0.767 0.773) 1.275 4.552 ( -0.183 -1.087 -1.026) 1.506 4.793 ( 1.438 -0.803 0.019) 1.647 4.806 ( 0.083 -2.007 0.641) 2.108 4.893 ( -1.072 2.422 -0.161) 2.653 4.972 ( -2.164 1.484 1.900) 3.240 4.991 ( 0.316 0.339 -0.080) 0.470 5.060 ( -0.724 -1.717 1.085) 2.156 5.144 ( 0.396 2.090 -1.237) 2.460 5.222 ( 1.146 -0.482 -0.480) 1.333 5.611 ( -1.494 1.321 0.414) 2.037 5.713 ( 0.794 -1.180 -1.910) 2.382 5.934 ( -0.178 2.617 1.835) 3.201 6.077 ( 0.071 -1.103 -1.533) 1.890 6.327 ( 0.538 1.243 0.964) 1.663 6.386 ( 0.189 -0.402 -0.627) 0.769 6.445 ( 0.092 0.511 0.010) 0.520 6.471 ( 0.625 -0.325 -0.058) 0.707 6.975 ( -0.381 0.528 -0.259) 0.701 6.996 ( 0.873 0.669 -0.526) 1.219 7.032 ( 0.790 0.047 -0.129) 0.802 7.041 ( -1.053 -0.405 -0.072) 1.131 10.064 ( -0.008 -1.212 -0.473) 1.301 10.075 ( 0.263 -1.304 -0.326) 1.369 10.152 ( 0.058 1.752 0.267) 1.773 10.166 ( -0.189 1.694 0.231) 1.720 10.510 ( 0.658 -0.687 0.449) 1.052 10.558 ( 1.671 -2.728 1.695) 3.621 10.707 ( 0.127 4.567 0.609) 4.610 10.834 ( -0.839 0.331 0.873) 1.255 10.943 ( -0.305 -0.375 1.032) 1.139 10.972 ( -0.389 -0.761 1.456) 1.688 11.011 ( -0.315 -0.078 1.577) 1.610 11.070 ( -1.095 -1.735 -0.804) 2.204 11.094 ( 0.927 2.554 -1.710) 3.210 11.191 ( -0.992 1.222 0.342) 1.611 11.337 ( 0.883 -0.739 -2.121) 2.413 11.342 ( 0.339 -1.416 -2.877) 3.225 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -7.062 2.454 -3.166) 8.119 0.791 ( -8.821 4.044 -7.616) 12.336 0.913 ( 2.746 3.399 -1.162) 4.521 0.949 ( 4.643 -0.774 -1.406) 4.912 1.057 ( 0.743 -1.342 -0.143) 1.541 1.066 ( -1.000 -1.203 -1.268) 2.013 1.131 ( -0.083 0.904 1.275) 1.565 1.172 ( 3.326 0.767 -0.096) 3.415 1.178 ( 0.476 -0.293 -1.152) 1.280 1.244 ( 0.126 -0.481 -0.626) 0.800 1.302 ( -2.608 4.742 -6.031) 8.103 1.336 ( -0.994 -0.457 -1.129) 1.572 1.360 ( 0.562 -1.527 -3.568) 3.922 1.410 ( -3.423 1.406 -0.020) 3.700 1.454 ( -0.114 1.488 -0.079) 1.495 1.480 ( 0.553 -3.073 0.564) 3.173 1.490 ( -0.611 -2.610 -0.424) 2.714 1.508 ( 1.024 -0.004 1.865) 2.128 1.596 ( -5.919 -1.286 2.206) 6.446 1.634 ( -4.661 1.773 0.726) 5.039 1.650 ( -3.489 1.856 0.769) 4.026 1.688 ( 0.274 1.433 -2.083) 2.543 1.703 ( 0.332 3.711 0.177) 3.730 1.734 ( -3.473 0.046 0.790) 3.562 1.788 ( -1.565 -1.502 -0.554) 2.238 1.831 ( 2.035 -1.315 -0.306) 2.442 1.891 ( -3.088 -0.432 0.334) 3.136 1.971 ( -1.075 0.956 -0.452) 1.508 2.001 ( -1.961 0.471 -0.576) 2.097 2.016 ( 1.512 3.112 1.609) 3.815 2.064 ( -0.026 0.083 -0.083) 0.120 2.071 ( 3.870 -1.512 -1.014) 4.276 2.139 ( 3.714 2.688 2.936) 5.444 2.173 ( -1.063 0.529 -1.455) 1.878 2.218 ( 5.465 -2.559 1.781) 6.292 2.249 ( 3.328 0.638 -4.667) 5.768 2.393 ( -1.549 -0.582 -2.811) 3.262 2.420 ( -0.238 -0.226 -2.335) 2.358 2.504 ( 1.230 0.280 1.193) 1.736 2.572 ( 2.299 -0.919 1.392) 2.840 2.605 ( 0.187 1.008 0.130) 1.034 2.610 ( -0.453 4.361 -2.559) 5.077 2.667 ( 0.243 -0.158 1.256) 1.289 2.702 ( 0.133 -2.844 0.165) 2.852 2.792 ( -0.778 2.001 1.805) 2.805 2.844 ( 2.373 -0.370 0.817) 2.537 2.878 ( 2.129 -3.134 -0.110) 3.790 2.940 ( -0.244 0.061 4.639) 4.646 3.006 ( 3.358 1.054 -0.792) 3.607 3.019 ( -1.795 -1.983 2.703) 3.803 3.034 ( 0.230 -1.401 0.989) 1.730 3.069 ( -1.133 -2.247 -0.366) 2.543 3.299 ( -1.598 -1.970 2.340) 3.451 3.332 ( -0.093 -1.965 0.280) 1.987 3.563 ( -1.606 1.336 -0.224) 2.101 3.618 ( 2.015 -0.128 0.740) 2.150 4.270 ( -0.916 -0.335 0.690) 1.195 4.292 ( -1.085 -1.018 0.297) 1.517 4.510 ( 1.721 0.092 1.036) 2.011 4.534 ( -0.213 -0.460 -1.425) 1.513 4.786 ( -2.263 -0.422 -1.239) 2.615 4.816 ( 0.178 -1.838 0.815) 2.019 4.890 ( -0.106 1.163 2.023) 2.336 4.936 ( -5.130 1.653 2.640) 6.002 4.973 ( -0.734 -1.426 -2.294) 2.799 5.063 ( -1.529 -0.890 1.865) 2.571 5.143 ( 1.120 2.915 -1.096) 3.310 5.240 ( 2.181 0.442 -0.711) 2.336 5.611 ( 1.051 2.161 0.799) 2.533 5.723 ( 3.207 -0.987 -1.886) 3.849 5.954 ( -0.368 1.842 2.363) 3.019 6.050 ( -0.900 -0.436 -2.008) 2.243 6.343 ( 0.098 0.422 0.812) 0.921 6.380 ( 0.028 -0.638 -0.773) 1.002 6.449 ( 0.091 0.617 0.268) 0.679 6.477 ( 0.531 -0.283 -0.761) 0.970 6.965 ( -0.402 0.262 -0.446) 0.655 7.006 ( 0.559 0.103 -0.946) 1.103 7.020 ( 0.098 0.948 -0.421) 1.042 7.071 ( 3.107 0.096 0.620) 3.170 10.063 ( 0.478 -1.044 -0.348) 1.200 10.077 ( 0.724 -0.962 -0.546) 1.322 10.153 ( -0.345 1.518 0.183) 1.568 10.174 ( 0.789 1.674 0.245) 1.867 10.537 ( 0.834 -1.004 0.735) 1.498 10.576 ( 0.626 -1.337 -1.380) 2.021 10.759 ( 2.541 2.676 4.589) 5.889 10.816 ( -1.183 1.157 -1.246) 2.072 10.946 ( -0.447 0.048 0.751) 0.875 10.982 ( -0.421 -0.321 1.109) 1.229 11.035 ( -0.109 -0.754 1.938) 2.083 11.040 ( -1.964 -0.679 2.014) 2.894 11.085 ( 0.490 1.748 -1.713) 2.496 11.164 ( -2.062 0.040 -0.822) 2.220 11.320 ( 1.472 -0.632 -2.724) 3.160 11.339 ( 2.529 -0.657 -2.916) 3.916 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -11.080 7.605 -7.585) 15.431 0.558 ( -10.470 5.368 -4.256) 12.512 0.928 ( -2.073 7.113 -0.392) 7.419 0.977 ( -2.256 0.143 0.138) 2.265 0.988 ( -4.338 0.153 -4.612) 6.333 1.044 ( -1.587 -0.857 -0.910) 2.020 1.106 ( -6.643 5.979 -3.752) 9.693 1.160 ( 0.590 -1.208 1.351) 1.905 1.180 ( -0.462 1.794 -0.239) 1.868 1.211 ( 0.300 -1.621 -2.487) 2.983 1.278 ( 1.003 0.539 0.891) 1.446 1.309 ( -0.913 -1.325 0.984) 1.887 1.337 ( -1.299 1.849 -2.052) 3.052 1.371 ( -0.053 -1.043 0.446) 1.136 1.435 ( -1.454 2.126 0.879) 2.722 1.459 ( -1.393 -1.939 -0.362) 2.415 1.506 ( 0.449 -1.747 1.177) 2.154 1.535 ( 1.621 -0.732 0.272) 1.799 1.557 ( -1.870 -0.960 0.271) 2.119 1.571 ( -0.255 -0.136 -0.364) 0.464 1.625 ( -0.738 3.051 0.002) 3.139 1.667 ( -0.544 3.007 -2.289) 3.818 1.693 ( -2.671 -1.821 0.750) 3.318 1.739 ( -0.760 -1.096 2.707) 3.017 1.773 ( 1.615 2.312 2.289) 3.632 1.814 ( -1.326 -0.964 -0.025) 1.640 1.905 ( 1.759 -0.329 -0.358) 1.825 1.942 ( -0.780 3.649 -1.789) 4.138 1.988 ( -0.499 -2.084 1.574) 2.658 2.023 ( -1.290 -2.197 -1.072) 2.764 2.057 ( -0.481 1.473 0.515) 1.633 2.127 ( 1.860 0.548 -0.829) 2.109 2.157 ( 2.232 1.671 -0.609) 2.854 2.194 ( -0.830 0.269 0.422) 0.969 2.252 ( 3.548 -3.921 -4.057) 6.665 2.316 ( 3.949 -5.645 2.060) 7.191 2.387 ( 1.343 -1.413 3.549) 4.049 2.451 ( 2.110 1.472 3.347) 4.221 2.506 ( -1.843 -0.575 -0.897) 2.129 2.580 ( 0.178 -2.044 0.874) 2.230 2.597 ( 0.443 3.120 -0.994) 3.305 2.634 ( 2.655 0.248 0.354) 2.690 2.680 ( 0.015 1.838 -0.284) 1.860 2.738 ( 4.435 1.952 -0.245) 4.852 2.783 ( -1.718 1.541 0.917) 2.483 2.886 ( -0.269 -3.982 0.350) 4.007 2.928 ( 4.253 -2.549 0.147) 4.961 2.973 ( -0.748 -0.427 0.635) 1.071 2.981 ( -2.019 -1.304 0.676) 2.497 3.023 ( -0.538 1.262 -0.957) 1.673 3.054 ( 1.194 0.212 1.316) 1.789 3.074 ( 0.605 -1.930 -0.260) 2.040 3.309 ( -0.362 -1.880 2.476) 3.130 3.338 ( 0.835 -1.557 -0.142) 1.772 3.533 ( -1.682 2.433 -0.677) 3.034 3.658 ( 2.030 -1.002 0.635) 2.351 4.258 ( -1.028 -0.446 -0.008) 1.121 4.268 ( -2.142 -1.291 0.050) 2.502 4.517 ( 0.283 0.213 -1.044) 1.103 4.548 ( 1.796 -0.708 0.492) 1.992 4.727 ( -2.823 0.677 -1.248) 3.160 4.810 ( -2.622 -4.265 0.671) 5.052 4.879 ( -4.843 -0.291 1.492) 5.076 4.920 ( -0.841 -0.329 1.952) 2.151 4.936 ( -1.190 0.831 -0.193) 1.464 5.059 ( -0.945 -1.840 1.288) 2.437 5.148 ( 1.032 3.742 -0.823) 3.968 5.268 ( 1.896 0.887 -0.426) 2.136 5.676 ( 5.654 3.816 2.412) 7.236 5.762 ( 4.359 -0.392 -1.716) 4.701 5.969 ( -1.145 1.470 1.609) 2.462 6.015 ( -0.812 2.108 -0.563) 2.328 6.349 ( -0.160 -0.236 0.461) 0.542 6.366 ( -0.223 -1.241 -1.926) 2.302 6.450 ( -0.256 0.395 -0.175) 0.502 6.463 ( -0.240 0.033 -1.903) 1.919 6.951 ( -0.606 0.130 -0.784) 0.999 6.990 ( -0.150 -0.777 -0.905) 1.202 7.040 ( 2.262 3.318 -0.247) 4.023 7.129 ( 3.335 -0.065 0.312) 3.350 10.071 ( 0.919 -0.582 -0.186) 1.104 10.086 ( 1.259 -0.502 -0.503) 1.445 10.147 ( -0.404 1.130 -0.138) 1.208 10.188 ( 0.492 1.598 0.187) 1.683 10.523 ( -0.657 -0.699 -1.619) 1.882 10.580 ( 0.403 -1.416 -0.884) 1.717 10.776 ( 0.339 3.958 -3.217) 5.112 10.850 ( 2.007 0.626 3.025) 3.684 10.951 ( -0.659 1.223 1.383) 1.960 10.986 ( 0.004 -0.180 0.564) 0.592 11.020 ( -0.496 -0.770 -0.184) 0.935 11.066 ( 0.081 0.070 -1.188) 1.193 11.108 ( -0.544 -0.879 8.575) 8.637 11.123 ( -1.095 -0.751 -1.289) 1.850 11.313 ( 0.809 0.108 -2.548) 2.676 11.345 ( 3.435 0.263 -3.721) 5.071 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -6.817 12.484 -1.341) 14.287 0.411 ( -6.124 12.279 7.091) 15.446 0.742 ( -13.026 21.858 4.570) 25.852 0.917 ( -2.641 1.161 -2.080) 3.557 0.951 ( 0.110 -3.573 -0.106) 3.577 1.013 ( -2.086 -1.659 -1.923) 3.286 1.046 ( 0.922 3.625 -1.240) 3.941 1.129 ( -1.952 -0.565 -0.520) 2.098 1.183 ( -2.102 -3.307 2.177) 4.482 1.209 ( 0.513 2.133 -0.673) 2.295 1.272 ( -2.307 1.419 -0.548) 2.763 1.283 ( -0.449 -1.484 -0.254) 1.571 1.338 ( 1.552 1.908 -0.325) 2.481 1.363 ( 1.168 -0.975 -1.795) 2.353 1.399 ( -2.126 -1.116 0.943) 2.580 1.480 ( -1.500 -1.564 0.516) 2.228 1.504 ( -0.891 -0.617 1.021) 1.489 1.569 ( 3.711 -2.059 -2.682) 5.020 1.577 ( -0.212 0.209 0.199) 0.358 1.590 ( 2.707 0.437 0.486) 2.784 1.624 ( 0.666 4.185 0.205) 4.242 1.641 ( -0.046 2.156 -0.422) 2.197 1.670 ( 1.158 -3.228 0.896) 3.544 1.751 ( -1.997 -1.162 -0.467) 2.357 1.784 ( -1.439 0.626 0.867) 1.793 1.840 ( 0.296 1.228 1.543) 1.994 1.900 ( 0.806 0.393 -0.791) 1.195 1.932 ( 0.613 4.713 -0.808) 4.821 1.983 ( -2.737 -3.792 3.041) 5.578 2.008 ( 0.464 -1.830 -1.568) 2.454 2.074 ( 1.639 0.738 2.039) 2.718 2.107 ( -0.747 0.028 -2.759) 2.859 2.162 ( -2.019 0.722 0.430) 2.187 2.203 ( 2.390 0.863 0.188) 2.548 2.273 ( 2.980 -4.079 -0.732) 5.104 2.372 ( 2.103 -5.341 -0.290) 5.747 2.434 ( -2.536 -1.991 -3.031) 4.425 2.488 ( 1.174 -1.897 7.414) 7.742 2.538 ( -0.352 -0.982 2.678) 2.874 2.565 ( -0.435 -0.274 -0.486) 0.707 2.616 ( 1.371 -0.156 1.036) 1.725 2.638 ( -0.022 -0.481 -2.075) 2.130 2.669 ( -2.302 2.658 -1.415) 3.790 2.767 ( -1.986 -1.605 0.121) 2.556 2.813 ( 4.550 1.764 0.375) 4.895 2.856 ( 0.423 -2.948 0.351) 2.999 2.946 ( 0.260 -1.147 -1.856) 2.197 2.973 ( -0.082 -2.509 -0.922) 2.674 2.996 ( 0.818 2.223 1.046) 2.589 3.024 ( 2.516 0.365 -0.837) 2.676 3.030 ( -4.133 -2.466 -0.060) 4.813 3.082 ( 0.253 -0.364 -0.853) 0.962 3.340 ( 0.972 -1.496 -0.210) 1.796 3.354 ( 1.310 -1.141 0.683) 1.867 3.499 ( -1.525 3.848 -0.291) 4.150 3.687 ( 0.859 -1.837 -0.058) 2.028 4.234 ( -0.800 -0.274 -0.255) 0.883 4.251 ( -0.581 -0.565 0.272) 0.855 4.520 ( 0.726 0.537 -0.077) 0.906 4.573 ( 1.012 -1.137 -0.047) 1.522 4.687 ( -1.378 1.065 0.416) 1.791 4.732 ( -6.809 -4.440 -0.982) 8.188 4.830 ( -2.518 0.316 -0.061) 2.539 4.905 ( -2.258 -1.299 1.151) 2.848 4.936 ( -0.522 0.958 0.904) 1.417 5.064 ( -0.689 -3.037 1.230) 3.348 5.159 ( 1.568 3.529 -1.069) 4.007 5.272 ( -0.096 -0.211 -1.530) 1.547 5.809 ( 4.119 0.308 -1.647) 4.447 5.821 ( 6.900 0.625 1.081) 7.012 5.954 ( -0.996 3.680 -1.379) 4.055 6.040 ( 3.279 4.232 -0.189) 5.357 6.309 ( -1.541 0.834 -1.900) 2.585 6.354 ( -0.009 -0.468 0.428) 0.634 6.436 ( -0.209 0.533 -0.099) 0.581 6.450 ( -0.132 -0.378 -0.045) 0.403 6.942 ( -0.100 0.456 1.377) 1.454 6.988 ( 0.302 -0.820 0.192) 0.894 7.082 ( 3.711 4.214 -0.646) 5.652 7.168 ( 1.920 -0.277 -0.608) 2.033 10.088 ( 1.259 0.205 0.560) 1.393 10.105 ( 1.585 -0.105 -0.152) 1.596 10.140 ( -0.454 0.806 0.062) 0.927 10.191 ( 0.106 0.853 -0.421) 0.957 10.514 ( 0.965 0.091 0.387) 1.043 10.555 ( -0.634 -0.959 -1.258) 1.704 10.762 ( 3.067 6.488 -4.243) 8.337 10.880 ( 0.223 -0.166 -0.400) 0.487 10.950 ( -1.130 1.834 0.917) 2.341 10.996 ( -0.197 -0.071 0.817) 0.844 11.016 ( 0.188 -0.047 -0.019) 0.195 11.046 ( 0.073 -0.933 -1.751) 1.985 11.102 ( -0.542 -2.023 -1.894) 2.823 11.201 ( -2.364 -4.022 4.009) 6.151 11.279 ( 0.840 3.008 -0.065) 3.124 11.381 ( 4.670 1.238 0.056) 4.832 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 3.465 12.973 1.643) 13.528 0.668 ( 0.839 10.554 4.026) 11.327 0.821 ( 0.453 -7.278 1.463) 7.437 0.897 ( 0.026 -4.912 -0.144) 4.914 0.932 ( 0.548 -1.348 0.556) 1.558 0.978 ( -0.520 -4.296 -0.532) 4.360 1.139 ( 2.323 5.690 -0.268) 6.152 1.177 ( -0.460 6.808 1.155) 6.921 1.213 ( 0.490 -0.186 0.414) 0.668 1.218 ( -0.523 -0.161 -1.166) 1.288 1.254 ( 0.684 2.119 0.369) 2.257 1.303 ( 1.017 0.726 -0.646) 1.406 1.360 ( -0.301 -1.331 -4.365) 4.573 1.371 ( -0.066 -1.910 -2.001) 2.767 1.384 ( 2.040 3.571 5.270) 6.685 1.431 ( 0.167 1.547 2.224) 2.714 1.495 ( -0.944 0.175 -1.283) 1.602 1.509 ( -0.826 0.158 -0.505) 0.981 1.586 ( 0.591 3.116 -0.897) 3.296 1.618 ( 2.317 -0.734 3.237) 4.048 1.630 ( -2.966 -1.915 1.389) 3.794 1.673 ( 0.128 0.983 0.581) 1.149 1.728 ( 1.197 0.764 1.296) 1.923 1.739 ( 1.858 -2.542 2.871) 4.261 1.805 ( -2.511 2.829 -0.047) 3.783 1.837 ( -1.032 0.590 -0.812) 1.440 1.889 ( -1.260 0.214 0.283) 1.309 1.923 ( -1.331 -3.505 0.837) 3.841 1.956 ( 0.257 -0.225 -2.417) 2.441 1.969 ( 1.153 -1.263 -1.015) 1.989 2.082 ( 1.146 1.079 3.542) 3.876 2.137 ( 2.547 -3.676 3.333) 5.577 2.180 ( 0.075 3.519 -0.768) 3.603 2.227 ( 0.415 0.998 0.759) 1.321 2.281 ( -3.492 -1.671 -2.704) 4.722 2.294 ( -0.861 -1.654 0.750) 2.010 2.381 ( 3.102 0.088 -1.207) 3.329 2.395 ( -1.802 -2.754 -0.404) 3.316 2.509 ( -2.921 0.490 -1.405) 3.278 2.548 ( -0.509 -2.739 0.901) 2.928 2.649 ( 0.827 1.447 0.815) 1.856 2.681 ( 1.176 4.298 -2.004) 4.885 2.689 ( -0.339 -0.708 0.331) 0.852 2.725 ( -0.434 -0.314 1.051) 1.180 2.828 ( -1.559 0.377 -1.267) 2.044 2.860 ( -1.246 -2.292 -0.389) 2.638 2.889 ( 0.497 -2.913 -2.367) 3.786 2.900 ( 0.687 -3.721 -2.715) 4.657 2.957 ( 1.100 2.309 -0.937) 2.724 3.004 ( -0.066 -1.636 -1.755) 2.400 3.048 ( 0.221 -0.054 -0.269) 0.352 3.051 ( -0.224 -0.447 -0.357) 0.615 3.333 ( -0.977 1.327 -0.015) 1.648 3.354 ( -0.495 -0.779 -0.026) 0.923 3.579 ( 0.566 3.863 0.537) 3.941 3.642 ( 0.038 -2.673 -0.662) 2.754 4.234 ( -0.091 0.103 0.548) 0.565 4.239 ( -0.053 -0.458 0.543) 0.712 4.536 ( 0.083 0.632 -0.007) 0.638 4.553 ( 0.060 -1.159 -0.427) 1.237 4.700 ( 0.885 1.541 1.333) 2.221 4.715 ( 0.841 0.150 1.652) 1.860 4.809 ( -0.959 1.284 -0.931) 1.854 4.842 ( -0.873 -2.076 -0.609) 2.333 4.961 ( -0.637 1.770 0.533) 1.955 5.005 ( -1.028 -2.769 0.372) 2.978 5.209 ( 0.615 1.991 -1.654) 2.660 5.237 ( 0.454 -1.097 -1.927) 2.263 5.839 ( 0.753 0.523 -0.425) 1.010 5.851 ( -0.317 -0.589 -0.062) 0.672 5.990 ( -0.314 2.572 -2.127) 3.352 6.015 ( -2.010 0.254 -3.567) 4.102 6.345 ( 0.424 -0.040 0.998) 1.085 6.351 ( 0.363 -0.691 0.960) 1.237 6.450 ( 0.631 0.271 0.773) 1.034 6.456 ( 0.852 -0.437 0.949) 1.348 6.968 ( -0.023 0.384 1.568) 1.615 6.982 ( 0.137 -1.030 1.260) 1.633 7.137 ( 0.013 1.898 -1.831) 2.637 7.167 ( 0.265 -1.187 -1.465) 1.905 10.119 ( 0.165 0.429 0.586) 0.744 10.126 ( 0.784 -0.320 0.182) 0.866 10.149 ( -0.616 1.240 0.674) 1.540 10.173 ( -0.216 -1.166 0.210) 1.204 10.555 ( 1.354 0.994 2.323) 2.867 10.574 ( 2.066 -1.044 2.695) 3.553 10.810 ( 0.476 1.617 -3.994) 4.335 10.833 ( -1.104 -1.034 -3.305) 3.635 10.968 ( -1.664 1.683 -1.027) 2.580 10.995 ( -1.526 -1.111 -1.571) 2.456 11.003 ( -0.347 0.722 0.849) 1.167 11.022 ( 0.684 -1.233 -0.191) 1.423 11.079 ( 0.161 2.098 -0.420) 2.146 11.117 ( -1.562 -1.806 -0.424) 2.425 11.370 ( 1.177 2.170 1.295) 2.788 11.411 ( 1.053 -2.167 0.214) 2.419 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 7.912 9.995 3.390) 13.191 0.792 ( 5.398 8.648 7.534) 12.676 0.860 ( 4.790 -5.373 -1.347) 7.323 0.905 ( 2.187 -0.102 -1.768) 2.814 0.988 ( 3.923 -2.669 1.707) 5.043 1.013 ( 1.801 -6.673 3.805) 7.890 1.133 ( -1.396 3.975 -4.501) 6.165 1.180 ( 2.498 0.998 -1.729) 3.198 1.192 ( 0.649 0.484 -1.279) 1.514 1.238 ( 1.644 -0.745 -1.051) 2.089 1.270 ( 0.283 -1.504 -4.066) 4.344 1.275 ( 0.790 -1.657 1.304) 2.252 1.322 ( 0.979 1.610 -1.159) 2.212 1.359 ( -0.067 -2.391 -0.312) 2.413 1.431 ( -1.707 0.940 -0.610) 2.041 1.461 ( -1.039 -1.668 -0.675) 2.078 1.471 ( -0.426 2.779 0.030) 2.812 1.523 ( 3.487 -1.159 -0.026) 3.675 1.609 ( -0.006 5.167 4.633) 6.940 1.634 ( -0.643 1.675 5.845) 6.114 1.676 ( 0.106 3.176 1.143) 3.377 1.699 ( -2.933 0.237 -0.264) 2.954 1.716 ( 1.019 1.873 2.416) 3.222 1.761 ( 0.337 -0.391 0.527) 0.738 1.803 ( -1.873 1.020 0.154) 2.139 1.823 ( 0.834 0.426 1.659) 1.905 1.886 ( 0.542 -0.435 -2.246) 2.351 1.909 ( 1.844 -0.829 0.173) 2.029 1.955 ( 1.598 1.675 -1.260) 2.635 1.994 ( 3.105 -1.825 0.085) 3.603 2.133 ( 0.835 4.152 2.119) 4.736 2.159 ( -1.886 4.306 -1.480) 4.928 2.185 ( 0.593 -0.747 -0.166) 0.968 2.220 ( -1.244 2.722 -1.152) 3.207 2.248 ( 0.463 -6.247 3.964) 7.413 2.313 ( -0.465 -5.219 3.506) 6.305 2.373 ( -0.885 -0.247 0.881) 1.273 2.404 ( 0.860 -2.111 -0.281) 2.296 2.461 ( -0.845 0.890 -0.477) 1.316 2.524 ( -1.224 -4.684 -2.343) 5.378 2.637 ( -0.602 3.215 -2.259) 3.975 2.667 ( -1.670 1.922 -2.365) 3.475 2.702 ( 1.381 0.489 0.570) 1.572 2.732 ( -1.193 -3.000 1.651) 3.627 2.772 ( -0.622 1.974 -1.319) 2.454 2.822 ( -1.481 -3.709 -0.433) 4.017 2.875 ( 0.712 -1.084 -2.226) 2.576 2.902 ( 0.079 -3.254 -1.303) 3.507 2.958 ( 0.639 1.320 -1.576) 2.152 2.984 ( 0.710 -0.846 -1.904) 2.201 3.030 ( -1.616 0.136 0.033) 1.622 3.050 ( -0.358 -1.701 -0.487) 1.805 3.299 ( -2.975 2.122 0.163) 3.658 3.328 ( -2.083 -0.845 -0.302) 2.268 3.596 ( 0.304 2.287 0.775) 2.433 3.630 ( -0.332 -1.300 -0.852) 1.589 4.241 ( 0.372 0.357 0.476) 0.702 4.248 ( 0.462 -0.321 0.381) 0.679 4.539 ( 0.071 0.046 0.156) 0.178 4.544 ( -0.569 -0.541 -0.537) 0.952 4.736 ( 1.373 0.651 0.961) 1.798 4.748 ( 0.612 -0.569 0.854) 1.195 4.813 ( 2.986 2.126 -0.065) 3.666 4.845 ( 2.588 -0.944 -0.924) 2.905 4.968 ( -0.105 0.052 1.879) 1.883 4.991 ( -0.915 -2.180 0.182) 2.371 5.199 ( 0.575 1.631 -1.494) 2.285 5.223 ( 0.786 -0.964 -2.299) 2.614 5.789 ( -4.774 2.775 -0.548) 5.550 5.828 ( -3.055 -1.565 0.126) 3.435 5.966 ( 0.224 2.681 -1.276) 2.977 5.998 ( 2.167 -0.648 -0.436) 2.303 6.355 ( -0.025 0.384 0.572) 0.689 6.367 ( 0.312 -0.923 0.541) 1.114 6.462 ( 0.014 0.612 0.057) 0.615 6.473 ( 0.369 -0.644 0.030) 0.743 6.984 ( -0.185 0.360 1.471) 1.525 7.000 ( 0.070 -1.266 1.390) 1.882 7.106 ( -1.508 1.778 -1.301) 2.670 7.132 ( -1.793 -0.909 -2.094) 2.903 10.106 ( -1.923 0.254 0.282) 1.960 10.112 ( -1.834 -0.366 0.024) 1.870 10.168 ( 0.901 1.096 0.807) 1.632 10.186 ( 0.872 -0.625 0.284) 1.110 10.594 ( -1.436 1.369 2.212) 2.971 10.618 ( -1.256 -1.032 2.131) 2.680 10.765 ( -0.348 0.734 -4.727) 4.796 10.772 ( 1.739 0.064 -3.551) 3.955 10.937 ( -1.359 0.715 -0.109) 1.540 10.953 ( -1.780 -0.980 -0.292) 2.053 11.010 ( 0.026 0.408 0.463) 0.618 11.016 ( -0.404 -0.449 -0.294) 0.672 11.105 ( 1.868 0.992 0.424) 2.157 11.119 ( 2.273 -0.322 0.460) 2.341 11.386 ( -0.713 0.803 0.803) 1.340 11.408 ( -1.140 -1.496 -0.333) 1.910 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 7.037 4.010 0.303) 8.105 0.879 ( 3.509 1.894 -4.126) 5.738 0.942 ( 4.825 0.945 0.295) 4.925 0.978 ( 4.124 1.632 3.453) 5.621 1.016 ( 0.273 1.518 -3.494) 3.820 1.044 ( 1.053 -1.635 -0.892) 2.140 1.112 ( 1.339 0.882 -0.440) 1.663 1.157 ( 1.974 -3.439 0.630) 4.015 1.226 ( 1.052 1.028 -0.180) 1.482 1.254 ( -2.026 -0.204 -0.627) 2.131 1.273 ( 4.798 -0.139 -0.430) 4.819 1.293 ( 4.185 -0.900 -1.235) 4.455 1.333 ( -1.895 -0.029 1.508) 2.422 1.354 ( -0.189 -1.975 -0.352) 2.015 1.415 ( 2.797 -0.039 0.035) 2.798 1.447 ( -0.291 -2.600 1.517) 3.024 1.494 ( 2.077 2.372 -0.373) 3.175 1.555 ( -3.390 -2.917 -0.714) 4.529 1.611 ( 3.028 3.515 -0.189) 4.643 1.638 ( 0.796 2.687 -0.936) 2.955 1.678 ( -2.764 2.319 0.157) 3.612 1.695 ( -0.143 -2.487 0.344) 2.515 1.744 ( 0.009 2.106 2.193) 3.041 1.763 ( 0.785 -0.443 1.103) 1.425 1.795 ( -0.633 0.137 -0.815) 1.041 1.822 ( -0.177 -2.433 0.595) 2.511 1.917 ( 1.226 4.390 1.639) 4.844 1.948 ( 1.645 3.022 -1.821) 3.893 1.970 ( 2.558 1.636 -0.010) 3.036 2.058 ( 3.269 -3.978 0.062) 5.149 2.114 ( -3.085 2.211 -1.377) 4.037 2.127 ( -3.745 2.753 -1.607) 4.918 2.184 ( 0.110 2.963 -1.984) 3.568 2.193 ( -0.454 5.015 2.624) 5.678 2.277 ( 0.675 1.240 2.546) 2.911 2.356 ( 1.163 -4.753 1.802) 5.215 2.388 ( 2.261 -3.812 -1.312) 4.622 2.425 ( 1.357 -2.127 1.759) 3.076 2.477 ( -1.066 -0.918 0.982) 1.716 2.505 ( 2.064 -5.572 3.820) 7.064 2.593 ( -1.560 2.519 -2.272) 3.734 2.617 ( -1.188 0.476 -0.361) 1.329 2.702 ( -1.131 1.403 0.736) 1.946 2.755 ( 0.258 1.555 0.610) 1.691 2.770 ( 1.081 -1.895 -0.667) 2.281 2.795 ( -2.295 -2.622 -0.734) 3.561 2.845 ( -1.995 -0.598 -1.350) 2.482 2.875 ( -1.986 -2.761 0.418) 3.427 2.942 ( -0.467 1.579 -1.395) 2.158 2.981 ( 0.453 -2.041 -1.085) 2.356 2.997 ( -1.818 0.958 -0.295) 2.076 3.036 ( -0.466 -2.371 -0.229) 2.427 3.264 ( -1.779 1.782 0.639) 2.598 3.299 ( -1.563 -1.754 0.335) 2.373 3.600 ( -0.426 1.305 -0.035) 1.373 3.616 ( -0.546 -0.255 -0.212) 0.639 4.255 ( 0.779 0.513 0.144) 0.944 4.262 ( 1.031 -0.170 0.078) 1.048 4.523 ( -1.238 0.684 -0.556) 1.520 4.539 ( -0.255 -0.979 0.028) 1.012 4.755 ( 1.210 -0.339 -0.738) 1.458 4.759 ( 0.965 -0.711 -0.584) 1.333 4.879 ( 4.247 1.997 0.919) 4.782 4.896 ( 3.725 0.860 0.455) 3.850 4.984 ( -0.107 -0.926 0.623) 1.121 4.997 ( 0.041 -1.720 2.190) 2.785 5.192 ( 0.261 1.169 -0.985) 1.550 5.209 ( 0.522 -0.735 -1.775) 1.991 5.718 ( -4.271 2.874 0.431) 5.166 5.768 ( -4.258 -2.456 -0.028) 4.916 5.974 ( 1.112 3.827 0.060) 3.986 6.029 ( 1.636 -2.023 0.316) 2.621 6.356 ( -0.221 1.069 -0.083) 1.094 6.374 ( 0.277 -0.900 0.032) 0.942 6.456 ( -0.191 0.714 -0.433) 0.856 6.469 ( -0.251 -0.640 -0.647) 0.944 6.994 ( -0.285 0.627 0.768) 1.031 7.010 ( -0.190 -0.986 0.302) 1.049 7.069 ( -1.977 0.852 -0.262) 2.168 7.080 ( -2.138 -0.352 -1.105) 2.432 10.079 ( -1.630 -0.075 0.010) 1.632 10.083 ( -1.649 -0.483 -0.238) 1.735 10.183 ( 0.026 1.163 0.445) 1.245 10.195 ( -0.030 0.056 0.119) 0.135 10.548 ( -3.278 0.648 -1.290) 3.582 10.569 ( -3.697 -1.564 -2.174) 4.565 10.757 ( 1.592 2.812 0.175) 3.236 10.791 ( 1.987 -0.854 0.298) 2.183 10.926 ( -0.587 0.317 0.680) 0.953 10.938 ( -0.661 -0.996 0.674) 1.372 11.007 ( -0.103 0.466 -0.078) 0.484 11.022 ( 0.624 -1.097 0.276) 1.292 11.138 ( 2.127 2.385 0.020) 3.196 11.171 ( 2.459 -0.632 1.041) 2.744 11.369 ( -1.586 -0.140 -0.410) 1.645 11.379 ( -1.688 -1.027 -0.534) 2.046 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 3.573 1.924 -6.058) 7.292 0.905 ( 2.257 -2.245 -2.760) 4.213 0.964 ( 1.375 4.037 -3.616) 5.591 0.997 ( 0.753 2.272 0.077) 2.395 1.044 ( 2.731 1.775 0.127) 3.259 1.058 ( 0.911 -0.668 0.360) 1.186 1.162 ( 3.072 3.027 -0.913) 4.408 1.169 ( -0.266 1.113 -0.756) 1.372 1.221 ( -1.044 -1.487 -2.020) 2.717 1.240 ( -0.362 -1.478 0.907) 1.772 1.298 ( 1.886 -1.225 -0.137) 2.253 1.313 ( 1.469 -2.895 -2.030) 3.829 1.377 ( 3.551 0.378 1.606) 3.916 1.398 ( 3.042 -1.723 0.652) 3.556 1.433 ( -2.627 1.480 -0.214) 3.023 1.476 ( -2.435 -3.354 0.124) 4.147 1.483 ( 1.923 2.253 -0.100) 2.963 1.525 ( 4.993 -1.994 -0.328) 5.386 1.612 ( -2.910 2.311 -0.387) 3.736 1.625 ( -0.828 2.141 -0.029) 2.296 1.692 ( 2.419 0.639 -0.166) 2.507 1.721 ( 1.845 -0.710 1.039) 2.233 1.764 ( -0.267 -0.038 1.590) 1.612 1.778 ( 0.312 -0.116 1.171) 1.217 1.829 ( 3.754 0.297 -0.206) 3.772 1.839 ( 1.498 -0.162 -0.623) 1.631 1.888 ( -3.228 3.614 -0.051) 4.846 1.916 ( -4.721 0.993 -0.566) 4.857 2.008 ( 2.047 0.637 0.018) 2.144 2.019 ( -1.747 2.749 -3.091) 4.491 2.058 ( 0.445 -1.349 -1.207) 1.864 2.097 ( -0.758 -3.747 -0.848) 3.915 2.160 ( -0.336 3.001 -2.345) 3.824 2.189 ( -0.769 2.360 -0.630) 2.561 2.333 ( 2.914 0.244 -1.230) 3.172 2.372 ( 0.595 2.416 -2.079) 3.243 2.441 ( 2.750 -4.588 1.229) 5.489 2.460 ( 0.560 0.355 1.517) 1.655 2.487 ( -0.246 3.442 2.810) 4.450 2.551 ( 0.318 1.935 0.550) 2.037 2.590 ( -0.610 -3.470 2.687) 4.430 2.631 ( -0.642 -0.705 2.115) 2.320 2.686 ( -0.234 0.479 -0.879) 1.028 2.717 ( -3.726 3.614 -0.798) 5.252 2.739 ( -1.974 -0.605 -0.227) 2.077 2.764 ( 0.125 -3.686 -1.218) 3.884 2.840 ( -0.661 -2.778 3.030) 4.164 2.845 ( -3.000 -3.189 0.914) 4.473 2.919 ( -0.152 1.461 -1.109) 1.840 2.957 ( -1.193 -2.068 0.867) 2.540 3.003 ( 0.536 1.063 0.882) 1.482 3.039 ( 0.131 -2.363 1.012) 2.574 3.261 ( -0.254 0.675 1.160) 1.366 3.288 ( -0.657 -2.060 0.607) 2.246 3.591 ( -0.073 1.285 -0.430) 1.357 3.608 ( -0.664 -0.415 0.195) 0.807 4.266 ( 0.669 0.771 -0.035) 1.021 4.279 ( 0.873 -0.428 0.062) 0.975 4.501 ( -0.670 1.529 -0.317) 1.699 4.533 ( -0.222 -1.717 -0.378) 1.772 4.766 ( 1.144 -0.430 -0.457) 1.304 4.768 ( 1.078 -0.704 -0.471) 1.371 4.943 ( 1.164 2.290 0.537) 2.625 4.953 ( 3.341 1.192 0.912) 3.662 4.999 ( 0.607 -0.346 1.168) 1.361 5.014 ( -0.484 -2.139 1.420) 2.613 5.183 ( -0.060 1.164 -0.750) 1.386 5.201 ( 0.245 -0.832 -0.554) 1.029 5.669 ( -2.842 2.127 0.438) 3.576 5.710 ( -2.675 -2.197 -0.474) 3.493 5.988 ( 0.235 3.857 0.441) 3.890 6.048 ( 0.614 -2.456 -0.134) 2.536 6.351 ( 0.060 1.756 -0.255) 1.776 6.377 ( 0.294 -0.971 -0.333) 1.068 6.452 ( 0.132 0.361 -0.143) 0.410 6.459 ( 0.043 -0.425 -0.417) 0.597 6.993 ( -0.200 0.617 -0.069) 0.653 7.002 ( -0.088 -0.207 -0.710) 0.745 7.043 ( -1.264 0.280 -0.068) 1.297 7.049 ( -1.583 -0.400 0.496) 1.706 10.060 ( -0.794 -0.406 -0.244) 0.925 10.061 ( -0.735 -0.453 -0.200) 0.886 10.181 ( -0.296 1.213 -0.007) 1.249 10.191 ( -0.541 0.302 0.228) 0.660 10.504 ( -1.129 -0.472 -0.444) 1.302 10.507 ( -1.119 -0.822 -0.808) 1.607 10.779 ( 0.315 3.321 0.697) 3.408 10.820 ( 0.481 -1.010 1.109) 1.575 10.931 ( -0.299 0.209 1.186) 1.241 10.943 ( -0.355 -1.016 1.292) 1.681 11.009 ( 0.141 0.810 0.281) 0.869 11.034 ( 0.501 -1.824 0.153) 1.898 11.160 ( 1.166 3.366 -0.860) 3.665 11.205 ( 0.834 -0.753 0.192) 1.140 11.339 ( -0.676 -0.597 -1.436) 1.696 11.345 ( -1.219 -1.104 -1.379) 2.146 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 4.059 0.885 -3.580) 5.484 0.881 ( -0.250 -0.264 -3.517) 3.536 0.957 ( 3.139 5.066 -3.600) 6.963 1.011 ( 0.863 1.559 -0.891) 1.992 1.047 ( -0.484 0.432 -1.135) 1.307 1.070 ( -1.290 -0.423 -0.647) 1.504 1.146 ( -0.185 0.321 -2.366) 2.395 1.171 ( 1.231 2.655 -1.753) 3.411 1.176 ( -0.638 -2.589 -2.129) 3.412 1.242 ( 0.032 -1.042 0.195) 1.061 1.291 ( 1.024 0.055 -3.539) 3.684 1.339 ( 1.631 -5.365 -0.884) 5.677 1.378 ( -0.963 0.604 0.979) 1.500 1.425 ( -0.997 -3.112 3.585) 4.851 1.440 ( -0.229 0.361 -0.837) 0.940 1.453 ( 0.096 -0.229 -0.243) 0.348 1.530 ( 0.759 3.841 0.084) 3.917 1.549 ( 0.349 3.796 -0.697) 3.875 1.597 ( 0.521 -1.126 -0.200) 1.257 1.621 ( -0.577 -1.722 1.159) 2.154 1.702 ( -0.212 0.451 -0.854) 0.988 1.718 ( -3.479 -1.175 -0.225) 3.679 1.755 ( -2.021 0.670 0.239) 2.143 1.783 ( -1.040 -0.017 -0.884) 1.365 1.824 ( 0.518 1.556 0.964) 1.902 1.854 ( -0.366 1.772 -1.953) 2.662 1.867 ( 0.912 0.286 2.971) 3.121 1.917 ( 1.700 -1.866 0.810) 2.651 2.015 ( 2.767 2.428 -2.177) 4.277 2.032 ( 1.852 2.190 0.298) 2.883 2.067 ( -0.041 -2.055 -0.844) 2.222 2.087 ( 2.375 -2.728 0.140) 3.620 2.137 ( 1.090 2.800 -1.025) 3.174 2.168 ( -0.288 0.448 -1.553) 1.642 2.302 ( -4.411 5.888 -4.786) 8.777 2.331 ( -0.251 2.895 -3.062) 4.221 2.430 ( -1.601 -2.410 -3.201) 4.315 2.453 ( -1.299 -3.125 -1.622) 3.753 2.495 ( -2.119 1.583 0.341) 2.667 2.547 ( -2.254 -3.559 -0.035) 4.213 2.602 ( 0.909 4.592 3.288) 5.721 2.639 ( -1.712 -0.447 -0.141) 1.775 2.668 ( 1.380 3.005 2.188) 3.965 2.713 ( 1.950 -0.238 0.196) 1.974 2.744 ( 0.113 -1.146 2.460) 2.716 2.779 ( 0.241 -0.048 1.757) 1.774 2.816 ( 0.131 -3.077 0.152) 3.083 2.876 ( -0.606 -4.577 3.684) 5.907 2.932 ( 2.144 0.332 0.707) 2.282 2.966 ( 0.083 -1.897 1.816) 2.628 3.020 ( 0.175 1.523 1.042) 1.853 3.051 ( -0.639 -1.917 1.252) 2.378 3.272 ( -0.728 -0.141 1.596) 1.759 3.289 ( -0.437 -1.783 0.875) 2.034 3.592 ( 0.366 0.744 -0.043) 0.831 3.600 ( -0.140 -0.100 -0.134) 0.218 4.272 ( 0.001 0.578 0.069) 0.582 4.285 ( -0.080 -0.721 -0.042) 0.727 4.499 ( 0.476 1.341 0.152) 1.431 4.526 ( 0.164 -1.525 -0.597) 1.645 4.780 ( 0.763 -0.500 0.186) 0.931 4.781 ( 0.571 -0.662 0.407) 0.964 4.939 ( -0.832 2.421 -0.839) 2.694 4.977 ( -0.307 -1.436 -1.361) 2.002 5.007 ( -1.959 1.748 2.506) 3.629 5.036 ( -0.959 -1.214 3.044) 3.414 5.179 ( 0.973 1.696 -0.861) 2.137 5.206 ( 1.275 -1.227 -0.353) 1.804 5.644 ( -0.626 2.060 0.038) 2.153 5.682 ( 0.127 -1.996 -0.806) 2.156 5.992 ( -0.219 3.287 0.393) 3.317 6.046 ( -0.112 -2.343 -0.808) 2.481 6.353 ( 0.185 1.388 0.033) 1.401 6.374 ( 0.058 -0.909 -0.548) 1.063 6.456 ( 0.289 0.555 0.209) 0.660 6.464 ( 0.535 -0.381 0.233) 0.697 6.988 ( -0.326 0.802 -0.224) 0.894 7.001 ( 0.474 -0.334 -0.341) 0.672 7.033 ( -0.176 0.133 0.032) 0.223 7.036 ( 0.247 -0.150 0.104) 0.307 10.051 ( 0.022 -0.206 -0.275) 0.344 10.055 ( 0.204 -0.694 -0.190) 0.748 10.180 ( 0.009 1.057 0.171) 1.070 10.187 ( -0.228 0.407 0.190) 0.504 10.503 ( 0.912 0.102 0.780) 1.204 10.518 ( 1.276 -1.541 1.114) 2.290 10.786 ( -0.191 3.555 0.843) 3.659 10.830 ( -0.488 -1.146 0.758) 1.458 10.941 ( -0.470 0.310 1.567) 1.665 10.955 ( -0.669 -1.002 2.084) 2.407 11.016 ( -0.125 0.650 0.826) 1.059 11.036 ( -0.370 -1.559 0.024) 1.603 11.153 ( 0.140 3.271 -2.055) 3.866 11.198 ( -0.851 -1.048 -1.284) 1.863 11.316 ( 0.555 -0.617 -2.214) 2.365 11.322 ( 0.829 -0.895 -1.832) 2.201 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -3.398 4.220 -4.706) 7.176 0.884 ( -1.472 -1.448 -5.318) 5.705 0.904 ( -2.534 3.366 -4.760) 6.357 0.972 ( 0.147 0.704 -1.900) 2.031 1.041 ( 0.103 -0.370 -0.620) 0.729 1.054 ( -1.239 -1.014 -0.274) 1.624 1.112 ( 0.863 -0.498 -1.412) 1.728 1.158 ( 3.101 -2.791 -0.150) 4.175 1.217 ( 2.765 3.193 1.517) 4.488 1.240 ( 0.051 0.154 -0.780) 0.797 1.292 ( 2.934 -0.529 -3.437) 4.550 1.336 ( -0.755 -1.462 0.090) 1.648 1.374 ( -0.145 0.012 -2.282) 2.286 1.397 ( -3.627 -1.357 -1.945) 4.334 1.420 ( -1.826 -0.399 3.251) 3.750 1.454 ( -2.665 -2.544 4.799) 6.050 1.518 ( -0.564 3.910 -2.948) 4.929 1.565 ( -1.381 2.089 1.036) 2.709 1.580 ( 0.474 2.187 -0.232) 2.250 1.646 ( 1.058 -0.857 1.251) 1.849 1.667 ( -3.230 -0.977 0.178) 3.380 1.681 ( -0.921 -1.044 0.111) 1.396 1.728 ( -1.947 1.421 -1.021) 2.617 1.759 ( -0.921 -0.695 0.006) 1.154 1.792 ( -3.109 1.036 -0.864) 3.389 1.811 ( -1.849 -0.722 -1.206) 2.323 1.916 ( 0.523 3.579 0.208) 3.623 1.963 ( 0.182 -0.909 -0.854) 1.261 2.011 ( -0.224 1.569 0.181) 1.595 2.041 ( 2.334 -0.795 -1.371) 2.821 2.068 ( 1.890 1.219 -3.007) 3.755 2.116 ( 0.507 -2.681 -0.707) 2.819 2.136 ( -1.727 3.654 0.047) 4.041 2.183 ( 3.830 -0.854 -0.583) 3.967 2.213 ( -0.011 2.587 -1.001) 2.773 2.258 ( -2.564 -0.306 -3.181) 4.097 2.382 ( -2.004 -0.041 -1.337) 2.410 2.417 ( 0.423 -1.952 -0.249) 2.013 2.466 ( -1.102 -0.253 0.643) 1.300 2.533 ( 0.165 -5.081 0.705) 5.132 2.629 ( 0.676 4.260 1.370) 4.526 2.683 ( 1.747 2.206 3.236) 4.289 2.694 ( -0.224 2.076 1.101) 2.361 2.734 ( 1.488 4.778 -0.699) 5.053 2.777 ( 0.942 -5.069 1.280) 5.313 2.814 ( -1.204 -1.580 2.114) 2.901 2.837 ( 3.280 0.114 0.149) 3.286 2.910 ( 0.774 -4.910 1.953) 5.341 2.969 ( 0.984 0.789 0.939) 1.573 3.003 ( 2.123 -1.746 1.081) 2.954 3.032 ( 0.203 0.615 0.471) 0.801 3.047 ( -1.116 -0.869 0.942) 1.700 3.276 ( -1.144 -0.095 1.901) 2.221 3.294 ( -0.244 -1.785 1.047) 2.084 3.590 ( -0.108 1.360 -0.332) 1.404 3.610 ( 1.152 -0.770 0.007) 1.386 4.267 ( -0.880 0.122 0.128) 0.897 4.275 ( -1.036 -0.751 -0.229) 1.300 4.514 ( 1.076 0.336 0.154) 1.138 4.523 ( 0.417 -0.588 -0.745) 1.037 4.780 ( -1.173 -0.074 -0.233) 1.198 4.788 ( -0.709 -1.015 0.317) 1.278 4.916 ( -0.986 1.432 0.061) 1.739 4.940 ( -1.847 -1.074 -1.471) 2.594 4.988 ( -3.934 2.530 2.541) 5.323 5.034 ( -3.230 -2.159 2.529) 4.636 5.195 ( 1.903 2.552 -0.647) 3.248 5.233 ( 2.307 -1.359 -0.242) 2.688 5.658 ( 2.509 2.503 0.257) 3.554 5.698 ( 2.996 -1.746 -0.754) 3.549 5.995 ( -0.151 2.345 0.821) 2.489 6.033 ( -0.224 -1.497 -0.696) 1.666 6.353 ( -0.206 0.593 -0.075) 0.632 6.366 ( -0.297 -0.793 -0.680) 1.086 6.463 ( 0.112 0.716 0.195) 0.751 6.472 ( 0.205 -0.329 -0.197) 0.435 6.975 ( -0.797 0.733 -0.443) 1.170 6.991 ( -0.787 -0.985 -0.720) 1.452 7.049 ( 2.209 1.456 0.185) 2.652 7.068 ( 2.907 -0.526 0.463) 2.990 10.054 ( 0.782 0.037 -0.231) 0.816 10.061 ( 0.928 -0.675 -0.330) 1.194 10.179 ( -0.369 1.155 0.113) 1.218 10.191 ( 0.313 0.050 0.196) 0.373 10.530 ( 1.079 0.375 0.161) 1.153 10.548 ( 1.500 -1.406 -0.268) 2.073 10.808 ( 0.879 2.111 2.315) 3.254 10.828 ( -0.176 -0.093 0.296) 0.357 10.953 ( -0.601 0.691 2.157) 2.344 10.969 ( -0.798 -0.929 2.443) 2.733 11.025 ( -0.489 -0.193 0.504) 0.728 11.028 ( -0.880 -0.518 2.002) 2.248 11.123 ( -0.427 2.148 -2.526) 3.343 11.156 ( -1.569 -1.141 -2.372) 3.065 11.313 ( 2.015 0.094 -1.973) 2.821 11.324 ( 2.263 -0.901 -2.190) 3.275 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -4.824 8.587 -3.442) 10.433 0.720 ( -5.788 10.945 -4.565) 13.196 0.861 ( -1.445 -7.123 -3.073) 7.891 0.938 ( -2.070 -8.515 -0.602) 8.784 1.010 ( -2.949 0.096 -0.129) 2.953 1.026 ( -1.344 -0.608 0.732) 1.647 1.162 ( 3.101 4.672 -0.377) 5.620 1.210 ( 1.492 1.500 -1.075) 2.373 1.219 ( -1.426 0.802 -1.710) 2.367 1.236 ( -1.423 1.198 0.181) 1.869 1.285 ( -0.806 1.301 -0.842) 1.747 1.331 ( -1.972 -2.547 -1.599) 3.597 1.340 ( 2.588 2.028 0.275) 3.300 1.367 ( 1.818 0.585 -0.831) 2.083 1.425 ( -1.299 0.019 0.450) 1.375 1.437 ( -4.505 -0.406 1.730) 4.843 1.496 ( 0.283 0.455 -0.388) 0.661 1.527 ( -0.803 -1.770 -0.729) 2.076 1.570 ( -2.998 2.149 0.507) 3.723 1.600 ( -4.684 3.875 1.240) 6.204 1.646 ( -1.292 -0.994 -3.258) 3.643 1.675 ( -0.109 0.957 1.560) 1.834 1.715 ( 0.344 1.111 0.121) 1.169 1.740 ( -0.274 -0.128 0.538) 0.617 1.786 ( 0.578 -0.532 -0.555) 0.962 1.802 ( 1.996 -0.368 1.759) 2.686 1.898 ( -1.860 0.162 -0.286) 1.889 1.917 ( -1.693 -2.463 1.087) 3.181 1.996 ( -1.196 0.861 -2.598) 2.987 2.046 ( 1.306 3.632 -0.812) 3.944 2.063 ( -2.769 -2.300 -0.550) 3.641 2.115 ( 1.459 -3.527 -2.197) 4.404 2.168 ( 2.427 0.770 0.311) 2.566 2.182 ( 2.752 0.137 -0.081) 2.757 2.220 ( 0.261 0.680 -1.037) 1.268 2.249 ( 1.271 -1.842 0.658) 2.332 2.370 ( 0.191 0.362 2.678) 2.709 2.421 ( -0.699 -4.493 0.350) 4.561 2.499 ( 1.399 2.497 2.424) 3.751 2.550 ( -0.133 -2.437 1.114) 2.683 2.662 ( 0.965 3.796 0.624) 3.966 2.687 ( 0.120 4.630 0.303) 4.642 2.728 ( -0.535 2.010 0.381) 2.115 2.757 ( 1.298 -2.622 -0.185) 2.932 2.774 ( -0.710 -2.489 0.560) 2.648 2.806 ( -0.579 -1.670 0.213) 1.780 2.894 ( 3.183 0.504 0.030) 3.223 2.935 ( 1.726 -2.759 -0.499) 3.292 2.989 ( 0.926 0.978 -0.368) 1.397 3.019 ( -1.181 -2.490 0.094) 2.757 3.041 ( -0.050 0.724 0.703) 1.010 3.057 ( 1.206 -0.841 0.524) 1.561 3.290 ( 0.498 0.109 1.869) 1.937 3.308 ( 0.854 -1.508 0.600) 1.833 3.583 ( -0.088 2.716 -0.569) 2.776 3.629 ( 1.232 -2.069 -0.049) 2.408 4.251 ( -1.199 -0.247 -0.198) 1.240 4.252 ( -1.524 -0.434 0.110) 1.588 4.523 ( 0.792 0.430 -0.580) 1.071 4.534 ( 1.343 -0.732 -0.097) 1.533 4.740 ( -2.358 0.691 -1.072) 2.681 4.757 ( -2.785 -1.495 -0.747) 3.248 4.891 ( -3.673 1.127 0.897) 3.946 4.910 ( -2.230 -0.813 1.334) 2.723 4.966 ( -1.458 2.199 1.370) 2.973 5.013 ( -1.814 -2.730 1.355) 3.547 5.211 ( 1.160 3.040 -0.725) 3.334 5.258 ( 1.104 -1.769 -0.430) 2.129 5.728 ( 5.491 1.781 0.802) 5.829 5.751 ( 4.626 -0.842 -0.644) 4.746 6.006 ( 0.060 2.133 1.115) 2.408 6.033 ( 0.649 -0.420 0.688) 1.035 6.346 ( -0.448 -0.024 -0.109) 0.462 6.350 ( -0.603 -0.465 -0.852) 1.143 6.458 ( -0.530 0.327 -0.514) 0.807 6.462 ( -0.568 -0.112 -1.053) 1.202 6.959 ( -0.626 0.638 -0.283) 0.938 6.974 ( -0.452 -0.897 -0.409) 1.085 7.093 ( 3.059 2.188 0.038) 3.762 7.121 ( 3.240 -0.919 0.059) 3.369 10.069 ( 1.456 0.253 -0.180) 1.488 10.076 ( 1.566 -0.495 -0.371) 1.684 10.172 ( -0.691 1.408 0.044) 1.569 10.194 ( -0.343 -0.722 0.207) 0.825 10.527 ( 0.167 0.971 -1.652) 1.924 10.552 ( 0.371 -1.539 -1.654) 2.290 10.831 ( 0.746 1.930 -0.324) 2.094 10.853 ( 1.074 -0.464 1.337) 1.777 10.978 ( 0.256 0.805 2.466) 2.607 10.983 ( -0.259 -0.086 1.208) 1.238 11.019 ( -0.912 1.388 1.138) 2.013 11.057 ( -0.841 -1.621 2.328) 2.959 11.096 ( -0.066 0.098 0.730) 0.740 11.108 ( -0.892 -0.886 -2.074) 2.426 11.324 ( 1.968 0.903 -1.837) 2.839 11.340 ( 3.174 -0.702 -2.040) 3.838 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -2.936 12.314 -2.704) 12.945 0.655 ( -2.244 12.030 1.804) 12.370 0.815 ( -1.047 -8.082 -0.307) 8.155 0.909 ( -1.764 -9.826 0.623) 10.002 0.961 ( -2.980 2.602 -0.394) 3.975 1.010 ( -2.552 -1.686 0.656) 3.128 1.138 ( -1.924 8.274 -1.660) 8.656 1.162 ( -0.742 7.727 -0.891) 7.813 1.206 ( -0.557 1.596 1.320) 2.145 1.243 ( -1.175 -1.979 -0.880) 2.464 1.255 ( 0.350 2.477 -0.190) 2.509 1.307 ( -1.946 -1.104 -0.563) 2.307 1.331 ( -0.223 2.128 1.117) 2.414 1.375 ( 1.115 1.088 -1.586) 2.223 1.403 ( -0.295 1.052 -0.620) 1.257 1.446 ( -1.794 -2.728 -0.326) 3.282 1.507 ( 3.209 0.776 0.919) 3.427 1.527 ( -1.867 -0.410 0.344) 1.942 1.550 ( 0.085 -0.968 0.093) 0.976 1.583 ( 1.782 -4.352 0.828) 4.775 1.611 ( 0.620 2.019 -0.071) 2.114 1.693 ( 0.123 -0.343 1.648) 1.688 1.707 ( -0.545 2.090 0.102) 2.162 1.714 ( -1.895 -1.720 -1.799) 3.129 1.815 ( 0.018 2.261 2.217) 3.167 1.847 ( 0.621 -0.693 1.212) 1.528 1.896 ( 0.041 0.429 0.814) 0.921 1.924 ( -1.512 -2.176 2.629) 3.733 1.970 ( 1.431 -0.902 -1.654) 2.366 1.996 ( -2.798 -0.713 -1.510) 3.259 2.049 ( -0.210 -0.418 0.090) 0.476 2.097 ( -0.193 -3.447 -0.512) 3.490 2.178 ( 0.676 3.464 0.201) 3.535 2.211 ( 0.309 0.811 -0.098) 0.874 2.266 ( 2.856 1.756 0.985) 3.494 2.306 ( 5.385 -2.740 -0.133) 6.044 2.384 ( -2.946 -1.651 -1.330) 3.630 2.418 ( -0.155 -3.936 1.956) 4.397 2.528 ( -0.494 0.359 2.067) 2.155 2.549 ( -1.740 -1.692 1.232) 2.722 2.654 ( -0.998 2.754 -1.860) 3.470 2.681 ( 0.173 3.821 -0.599) 3.872 2.717 ( -0.704 0.816 0.808) 1.347 2.722 ( -2.566 -1.789 -0.737) 3.213 2.819 ( 2.137 -0.701 0.164) 2.255 2.827 ( 3.584 -1.293 0.111) 3.812 2.925 ( 0.838 -0.083 -0.288) 0.890 2.936 ( -1.055 -1.949 -1.551) 2.705 2.975 ( -1.806 -0.942 -1.818) 2.731 3.005 ( 2.030 -2.148 -1.397) 3.269 3.043 ( -0.318 1.708 0.194) 1.748 3.066 ( -0.306 -0.933 -0.309) 1.029 3.326 ( 1.312 0.052 0.589) 1.439 3.336 ( 1.776 -0.811 0.857) 2.132 3.575 ( -0.124 4.056 -0.328) 4.071 3.643 ( 0.631 -3.047 -0.254) 3.122 4.233 ( -0.610 0.110 0.190) 0.648 4.239 ( -0.670 -0.550 0.386) 0.950 4.532 ( 0.717 0.807 -0.162) 1.091 4.550 ( 0.844 -1.179 -0.214) 1.466 4.704 ( -1.637 0.416 -0.090) 1.691 4.706 ( -1.764 0.104 -0.150) 1.773 4.845 ( -3.089 1.371 0.313) 3.394 4.876 ( -3.160 -1.779 0.578) 3.672 4.966 ( -0.540 2.064 0.610) 2.219 5.010 ( -0.686 -2.679 0.908) 2.911 5.215 ( 0.779 2.584 -1.189) 2.949 5.254 ( -0.041 -1.625 -1.316) 2.091 5.809 ( 3.711 0.140 -0.597) 3.761 5.816 ( 4.282 -0.548 0.061) 4.318 6.016 ( -0.173 3.004 -0.242) 3.018 6.059 ( 1.127 -1.339 -0.650) 1.867 6.329 ( -0.473 1.050 -0.059) 1.153 6.344 ( -0.195 -0.609 0.370) 0.739 6.442 ( -0.278 0.095 -0.115) 0.315 6.444 ( -0.385 -0.174 -0.218) 0.475 6.954 ( -0.196 0.818 0.751) 1.128 6.971 ( -0.036 -0.923 0.481) 1.041 7.135 ( 2.561 1.842 -0.855) 3.269 7.158 ( 2.066 -0.813 -0.692) 2.325 10.094 ( 1.779 0.361 0.207) 1.827 10.100 ( 1.918 -0.302 -0.125) 1.946 10.161 ( -1.079 1.327 0.349) 1.746 10.185 ( -1.094 -1.104 0.193) 1.566 10.522 ( 1.118 0.687 -0.100) 1.316 10.538 ( 0.459 -0.907 -0.644) 1.204 10.832 ( 0.832 2.185 -1.845) 2.979 10.864 ( -0.082 -1.372 -0.653) 1.522 10.990 ( -0.222 1.082 0.534) 1.227 11.000 ( 0.344 0.244 0.453) 0.619 11.012 ( -0.746 0.583 -0.124) 0.955 11.032 ( -1.196 -0.696 -1.375) 1.951 11.092 ( 0.090 1.011 -0.592) 1.175 11.135 ( -0.943 -3.143 2.983) 4.435 11.335 ( 1.839 2.738 -0.431) 3.326 11.375 ( 3.154 -1.443 -0.431) 3.495 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -9.474 0.000 12.873) 15.984 0.591 ( 4.127 0.000 12.219) 12.897 0.754 ( 8.433 0.000 -9.819) 12.943 0.784 ( -3.833 0.000 -7.443) 8.372 1.013 ( 0.890 0.000 2.115) 2.295 1.049 ( 0.549 0.000 0.821) 0.988 1.082 ( 2.621 0.000 9.159) 9.527 1.154 ( 0.316 0.000 -2.185) 2.208 1.200 ( 3.564 0.000 3.005) 4.661 1.205 ( -1.303 0.000 1.183) 1.760 1.239 ( 1.380 0.000 1.352) 1.932 1.276 ( 0.081 0.000 -2.715) 2.716 1.324 ( 1.163 0.000 3.005) 3.222 1.398 ( 1.044 0.000 9.189) 9.248 1.416 ( -0.979 0.000 -4.779) 4.878 1.492 ( -3.349 0.000 1.037) 3.506 1.494 ( 0.511 0.000 -1.410) 1.499 1.525 ( 1.010 0.000 -0.267) 1.045 1.536 ( 0.085 0.000 -0.490) 0.497 1.573 ( 0.953 0.000 2.756) 2.916 1.622 ( -1.341 0.000 -3.368) 3.626 1.656 ( -0.072 0.000 0.406) 0.412 1.683 ( 1.258 0.000 -0.108) 1.263 1.704 ( -1.582 0.000 -10.089) 10.212 1.758 ( 3.063 0.000 1.497) 3.409 1.769 ( -3.953 0.000 -0.107) 3.955 1.881 ( 0.481 0.000 2.999) 3.037 1.943 ( -0.261 0.000 -0.122) 0.289 1.965 ( -4.663 0.000 -4.673) 6.602 1.989 ( -0.045 0.000 -3.790) 3.791 2.050 ( -4.355 0.000 0.850) 4.437 2.060 ( 4.323 0.000 0.444) 4.346 2.198 ( 1.636 0.000 1.510) 2.226 2.215 ( -0.023 0.000 1.278) 1.279 2.359 ( 1.478 0.000 3.209) 3.533 2.368 ( -1.798 0.000 -2.102) 2.765 2.393 ( 2.715 0.000 -1.590) 3.146 2.445 ( -4.158 0.000 -2.826) 5.027 2.535 ( 3.502 0.000 5.632) 6.632 2.617 ( -2.673 0.000 -1.211) 2.935 2.617 ( -4.970 0.000 1.444) 5.175 2.657 ( 6.527 0.000 -3.241) 7.287 2.721 ( -0.540 0.000 4.951) 4.981 2.785 ( -0.844 0.000 -2.401) 2.545 2.836 ( -0.653 0.000 -1.371) 1.519 2.860 ( 1.742 0.000 -2.397) 2.963 2.908 ( -3.553 0.000 1.006) 3.693 2.950 ( 0.823 0.000 -2.540) 2.670 2.989 ( 2.124 0.000 0.698) 2.236 2.991 ( -1.523 0.000 0.655) 1.658 3.086 ( -0.527 0.000 0.462) 0.701 3.088 ( 1.664 0.000 0.474) 1.731 3.283 ( -3.750 0.000 -1.162) 3.926 3.297 ( 2.011 0.000 -2.401) 3.132 3.548 ( 0.406 0.000 4.349) 4.368 3.629 ( -0.300 0.000 -3.737) 3.749 4.243 ( -0.488 0.000 0.294) 0.569 4.248 ( 0.294 0.000 -0.234) 0.376 4.546 ( 0.146 0.000 1.256) 1.264 4.570 ( -0.224 0.000 -1.170) 1.192 4.703 ( 0.554 0.000 2.639) 2.697 4.748 ( 0.846 0.000 3.673) 3.769 4.754 ( -0.804 0.000 -2.510) 2.635 4.819 ( -1.085 0.000 -3.499) 3.664 5.060 ( -0.107 0.000 0.504) 0.515 5.063 ( 0.201 0.000 0.232) 0.307 5.147 ( -1.237 0.000 2.476) 2.768 5.201 ( 1.389 0.000 -2.907) 3.222 5.751 ( -3.943 0.000 2.125) 4.480 5.798 ( 3.236 0.000 -2.570) 4.133 5.927 ( 4.443 0.000 1.364) 4.647 5.945 ( -4.077 0.000 -0.585) 4.119 6.373 ( -0.836 0.000 0.990) 1.296 6.394 ( 1.408 0.000 -1.070) 1.769 6.446 ( 1.586 0.000 0.324) 1.619 6.451 ( -0.692 0.000 -0.185) 0.716 7.029 ( 0.398 0.000 1.289) 1.350 7.051 ( 1.324 0.000 0.811) 1.553 7.062 ( -1.063 0.000 0.499) 1.174 7.115 ( -0.203 0.000 -3.084) 3.091 10.127 ( 0.097 0.000 0.344) 0.357 10.130 ( 0.746 0.000 0.027) 0.746 10.151 ( -0.302 0.000 0.470) 0.558 10.156 ( -0.133 0.000 0.000) 0.133 10.597 ( 2.018 0.000 2.367) 3.110 10.621 ( -2.010 0.000 -0.391) 2.047 10.678 ( 4.919 0.000 2.791) 5.656 10.759 ( -3.096 0.000 -4.875) 5.774 10.955 ( -1.118 0.000 1.162) 1.613 10.979 ( -0.033 0.000 -1.158) 1.158 11.027 ( -2.881 0.000 0.263) 2.893 11.034 ( 2.443 0.000 -0.580) 2.511 11.056 ( 0.464 0.000 1.954) 2.008 11.096 ( -0.857 0.000 -2.020) 2.194 11.390 ( 0.610 0.000 2.439) 2.514 11.437 ( 0.475 0.000 -2.393) 2.440 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 3.408 0.000 9.233) 9.842 0.650 ( -0.147 0.000 -9.020) 9.021 0.771 ( 7.056 0.000 0.395) 7.067 0.836 ( 11.350 0.000 -1.960) 11.518 1.035 ( 0.651 0.000 -2.605) 2.685 1.050 ( 0.036 0.000 0.123) 0.129 1.121 ( -2.380 0.000 -6.972) 7.367 1.154 ( 2.238 0.000 1.851) 2.904 1.190 ( 2.331 0.000 0.209) 2.341 1.218 ( -2.797 0.000 -2.124) 3.512 1.235 ( 0.778 0.000 -3.327) 3.416 1.259 ( 0.345 0.000 0.877) 0.942 1.371 ( 1.679 0.000 -4.847) 5.129 1.409 ( 2.691 0.000 4.164) 4.958 1.426 ( -3.446 0.000 -7.793) 8.521 1.473 ( -0.839 0.000 1.443) 1.670 1.520 ( 1.213 0.000 -0.179) 1.226 1.524 ( -0.206 0.000 3.369) 3.375 1.559 ( 1.814 0.000 -0.183) 1.824 1.593 ( -0.660 0.000 2.328) 2.419 1.612 ( 2.385 0.000 -5.450) 5.949 1.636 ( 3.182 0.000 7.494) 8.142 1.661 ( -0.938 0.000 -1.895) 2.114 1.706 ( 2.473 0.000 2.676) 3.644 1.725 ( -1.848 0.000 -0.009) 1.848 1.817 ( 2.618 0.000 0.848) 2.751 1.881 ( -1.291 0.000 -2.521) 2.832 1.933 ( -0.338 0.000 3.289) 3.307 1.961 ( -0.454 0.000 3.211) 3.243 1.966 ( -2.454 0.000 2.946) 3.835 2.033 ( 3.734 0.000 0.057) 3.734 2.125 ( 3.814 0.000 -0.462) 3.842 2.174 ( -3.348 0.000 -2.183) 3.997 2.215 ( -0.911 0.000 0.066) 0.913 2.337 ( -4.589 0.000 -1.652) 4.877 2.371 ( 0.166 0.000 -1.108) 1.121 2.386 ( 2.400 0.000 1.410) 2.783 2.480 ( 3.281 0.000 4.050) 5.212 2.535 ( -1.640 0.000 -4.600) 4.884 2.543 ( -5.152 0.000 0.472) 5.174 2.642 ( 2.132 0.000 2.812) 3.529 2.703 ( 2.790 0.000 -2.536) 3.771 2.744 ( -0.811 0.000 -2.498) 2.627 2.755 ( -1.467 0.000 3.526) 3.819 2.813 ( -2.119 0.000 0.196) 2.128 2.831 ( -0.734 0.000 0.724) 1.031 2.908 ( -1.229 0.000 2.445) 2.737 2.920 ( -1.952 0.000 -0.913) 2.155 2.980 ( -0.724 0.000 0.605) 0.943 3.029 ( 2.496 0.000 -0.319) 2.516 3.051 ( -3.482 0.000 -1.081) 3.645 3.094 ( 0.023 0.000 -0.568) 0.569 3.249 ( -1.273 0.000 2.226) 2.564 3.324 ( 2.335 0.000 0.619) 2.416 3.577 ( -0.487 0.000 -4.057) 4.086 3.598 ( -0.178 0.000 4.029) 4.033 4.241 ( 0.078 0.000 0.395) 0.402 4.246 ( -0.312 0.000 -0.357) 0.474 4.542 ( -1.834 0.000 -1.174) 2.178 4.562 ( 0.174 0.000 1.051) 1.065 4.738 ( 2.253 0.000 -1.946) 2.977 4.766 ( 3.262 0.000 2.472) 4.093 4.778 ( 0.849 0.000 -3.175) 3.287 4.817 ( 2.303 0.000 3.695) 4.354 5.054 ( -1.264 0.000 -0.005) 1.264 5.063 ( 0.282 0.000 -0.215) 0.354 5.159 ( -1.050 0.000 2.281) 2.511 5.191 ( 1.457 0.000 -2.467) 2.865 5.721 ( -3.684 0.000 3.045) 4.779 5.817 ( 1.915 0.000 -2.515) 3.161 5.875 ( -3.168 0.000 -0.430) 3.197 6.003 ( 3.908 0.000 0.312) 3.920 6.352 ( -2.758 0.000 -0.214) 2.766 6.388 ( 0.036 0.000 -0.911) 0.912 6.441 ( -0.012 0.000 -0.290) 0.291 6.466 ( 0.982 0.000 -0.627) 1.165 7.024 ( -1.670 0.000 -1.101) 2.000 7.029 ( -1.518 0.000 -0.277) 1.543 7.078 ( -0.621 0.000 -1.981) 2.076 7.087 ( -0.472 0.000 2.802) 2.841 10.115 ( -1.160 0.000 -0.280) 1.193 10.119 ( -1.183 0.000 -0.623) 1.337 10.155 ( -0.162 0.000 -0.267) 0.313 10.157 ( 0.031 0.000 0.476) 0.477 10.577 ( -2.290 0.000 -1.164) 2.569 10.644 ( -3.935 0.000 -4.971) 6.340 10.644 ( 1.473 0.000 0.820) 1.686 10.769 ( 2.576 0.000 3.215) 4.119 10.955 ( -1.348 0.000 2.145) 2.534 10.973 ( 0.345 0.000 -0.471) 0.583 11.002 ( -0.879 0.000 0.511) 1.017 11.046 ( 0.062 0.000 -1.350) 1.351 11.094 ( 2.870 0.000 -0.083) 2.871 11.097 ( 1.098 0.000 1.864) 2.163 11.401 ( -0.888 0.000 -2.911) 3.043 11.414 ( -0.460 0.000 1.360) 1.436 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 5.928 0.000 -6.795) 9.017 0.728 ( -1.289 0.000 -16.996) 17.044 0.806 ( 8.815 0.000 5.411) 10.344 0.971 ( 3.437 0.000 -1.401) 3.712 1.000 ( 7.617 0.000 -2.520) 8.023 1.017 ( 0.159 0.000 -2.099) 2.105 1.070 ( 0.620 0.000 -1.414) 1.544 1.158 ( -0.640 0.000 -0.830) 1.048 1.161 ( -1.950 0.000 -0.934) 2.162 1.254 ( 3.623 0.000 0.408) 3.645 1.273 ( 4.020 0.000 1.283) 4.220 1.284 ( 2.707 0.000 0.719) 2.801 1.347 ( -1.145 0.000 -2.199) 2.479 1.388 ( 5.882 0.000 -1.439) 6.055 1.438 ( -1.395 0.000 0.090) 1.397 1.499 ( 0.643 0.000 1.197) 1.359 1.515 ( -2.550 0.000 -0.449) 2.589 1.515 ( -1.767 0.000 -1.774) 2.504 1.597 ( 0.774 0.000 0.248) 0.813 1.603 ( 3.189 0.000 -1.573) 3.556 1.623 ( -0.291 0.000 -2.299) 2.317 1.656 ( 7.029 0.000 0.597) 7.055 1.704 ( 0.707 0.000 0.090) 0.713 1.723 ( 1.410 0.000 4.792) 4.995 1.791 ( 1.993 0.000 3.294) 3.850 1.840 ( -0.337 0.000 -2.591) 2.612 1.844 ( -0.363 0.000 0.409) 0.547 1.907 ( -4.005 0.000 -1.300) 4.211 1.982 ( 1.452 0.000 2.185) 2.623 1.996 ( -0.179 0.000 3.181) 3.186 2.081 ( -3.574 0.000 -2.397) 4.304 2.122 ( -2.011 0.000 -2.500) 3.209 2.149 ( 0.627 0.000 4.083) 4.131 2.221 ( 2.265 0.000 -0.702) 2.371 2.246 ( -1.751 0.000 -3.186) 3.636 2.355 ( -1.015 0.000 1.974) 2.220 2.397 ( -5.657 0.000 1.600) 5.879 2.507 ( 1.299 0.000 -1.392) 1.904 2.514 ( 0.802 0.000 1.024) 1.301 2.567 ( 0.946 0.000 4.322) 4.424 2.643 ( -2.715 0.000 -0.891) 2.858 2.651 ( -2.952 0.000 -3.653) 4.697 2.727 ( 0.371 0.000 -2.139) 2.171 2.744 ( -2.796 0.000 -0.771) 2.901 2.803 ( 0.996 0.000 1.832) 2.086 2.857 ( 1.156 0.000 2.586) 2.833 2.864 ( -2.833 0.000 -0.820) 2.949 2.921 ( -0.579 0.000 2.170) 2.246 2.975 ( -4.177 0.000 -1.019) 4.300 2.987 ( -2.807 0.000 3.695) 4.640 3.061 ( 2.534 0.000 -0.643) 2.614 3.101 ( 0.188 0.000 1.236) 1.250 3.276 ( 0.735 0.000 2.592) 2.694 3.361 ( 0.845 0.000 0.902) 1.236 3.536 ( 0.735 0.000 -2.655) 2.755 3.632 ( -1.228 0.000 3.314) 3.534 4.240 ( 0.541 0.000 0.028) 0.542 4.257 ( 1.267 0.000 0.396) 1.327 4.499 ( -2.025 0.000 -0.511) 2.088 4.570 ( -0.153 0.000 0.184) 0.240 4.748 ( 1.725 0.000 -2.137) 2.747 4.795 ( 2.804 0.000 0.892) 2.943 4.843 ( 3.228 0.000 1.351) 3.500 4.895 ( 2.611 0.000 3.446) 4.323 5.022 ( -2.138 0.000 -0.623) 2.227 5.073 ( 1.214 0.000 -0.387) 1.274 5.159 ( -2.035 0.000 1.652) 2.621 5.192 ( 1.672 0.000 -1.555) 2.284 5.698 ( -4.103 0.000 2.682) 4.902 5.761 ( -2.415 0.000 -3.732) 4.445 5.883 ( 1.361 0.000 1.718) 2.191 6.049 ( 2.542 0.000 -0.962) 2.718 6.304 ( -1.280 0.000 -0.985) 1.615 6.381 ( 0.361 0.000 -0.755) 0.837 6.439 ( 0.028 0.000 -0.282) 0.284 6.466 ( 0.188 0.000 -0.659) 0.685 6.993 ( -1.153 0.000 -0.439) 1.234 6.994 ( -1.071 0.000 -1.588) 1.916 7.041 ( -1.161 0.000 -1.807) 2.148 7.098 ( -1.770 0.000 1.951) 2.635 10.093 ( -0.924 0.000 -0.660) 1.135 10.096 ( -0.529 0.000 -0.522) 0.744 10.143 ( -0.549 0.000 -0.542) 0.771 10.157 ( -0.621 0.000 0.354) 0.715 10.541 ( -1.196 0.000 -1.556) 1.962 10.554 ( -1.159 0.000 -0.904) 1.470 10.658 ( 0.327 0.000 -0.852) 0.912 10.830 ( 0.711 0.000 2.848) 2.936 10.963 ( -1.239 0.000 2.574) 2.857 10.975 ( 0.303 0.000 -0.042) 0.306 11.005 ( 0.456 0.000 0.652) 0.796 11.036 ( 1.048 0.000 -1.619) 1.928 11.121 ( -0.167 0.000 0.730) 0.748 11.147 ( 2.143 0.000 1.916) 2.874 11.353 ( -0.929 0.000 -2.756) 2.909 11.399 ( -1.583 0.000 -1.580) 2.236 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 7.807 0.000 -8.823) 11.782 0.670 ( 8.634 0.000 -1.151) 8.710 0.956 ( 0.200 0.000 -0.047) 0.205 0.978 ( 1.354 0.000 -4.331) 4.538 0.993 ( 3.092 0.000 0.524) 3.137 1.073 ( 1.236 0.000 -0.145) 1.245 1.083 ( 2.598 0.000 0.305) 2.616 1.125 ( -0.836 0.000 -1.155) 1.426 1.169 ( 1.231 0.000 -0.376) 1.287 1.298 ( 0.422 0.000 0.098) 0.433 1.307 ( 1.716 0.000 1.697) 2.414 1.342 ( 1.830 0.000 -0.483) 1.893 1.347 ( 1.189 0.000 -0.472) 1.279 1.387 ( -2.158 0.000 -4.356) 4.861 1.446 ( -2.280 0.000 -2.299) 3.238 1.458 ( -0.055 0.000 -1.078) 1.079 1.494 ( 4.783 0.000 0.300) 4.793 1.513 ( 2.520 0.000 -1.306) 2.838 1.577 ( -1.626 0.000 0.153) 1.633 1.625 ( 0.747 0.000 1.580) 1.748 1.640 ( 3.848 0.000 -1.613) 4.173 1.746 ( 3.184 0.000 -0.190) 3.190 1.779 ( -0.518 0.000 -0.912) 1.048 1.790 ( 6.638 0.000 0.132) 6.639 1.815 ( -3.025 0.000 2.863) 4.165 1.831 ( -1.910 0.000 1.940) 2.723 1.841 ( 5.100 0.000 -0.198) 5.104 1.877 ( 2.522 0.000 1.034) 2.726 1.998 ( -4.705 0.000 0.082) 4.706 2.014 ( -0.508 0.000 0.154) 0.531 2.016 ( -0.658 0.000 1.144) 1.320 2.067 ( -1.302 0.000 -0.231) 1.322 2.128 ( -1.938 0.000 0.367) 1.972 2.203 ( -0.783 0.000 -3.722) 3.803 2.205 ( -2.771 0.000 -2.744) 3.899 2.301 ( -7.447 0.000 -0.005) 7.447 2.403 ( 0.676 0.000 3.187) 3.258 2.489 ( -2.063 0.000 -3.989) 4.491 2.512 ( -0.040 0.000 1.913) 1.913 2.555 ( -2.335 0.000 -6.026) 6.463 2.580 ( -2.791 0.000 -0.487) 2.833 2.595 ( -3.633 0.000 1.763) 4.038 2.707 ( 1.535 0.000 -0.943) 1.801 2.721 ( 1.196 0.000 0.244) 1.221 2.804 ( 0.084 0.000 -1.787) 1.789 2.868 ( -3.263 0.000 -0.395) 3.287 2.900 ( 0.160 0.000 6.780) 6.782 2.929 ( -0.540 0.000 -0.307) 0.621 2.956 ( 2.145 0.000 3.297) 3.934 2.966 ( -3.162 0.000 2.091) 3.791 3.090 ( 2.316 0.000 -1.069) 2.550 3.107 ( -1.863 0.000 1.463) 2.369 3.319 ( 1.196 0.000 1.817) 2.176 3.368 ( -0.124 0.000 -0.114) 0.169 3.545 ( 2.215 0.000 -0.120) 2.218 3.626 ( -2.609 0.000 1.154) 2.853 4.270 ( 1.351 0.000 1.825) 2.271 4.284 ( 1.597 0.000 0.395) 1.645 4.479 ( -0.605 0.000 0.761) 0.972 4.561 ( -0.581 0.000 -0.912) 1.082 4.763 ( 2.592 0.000 -0.746) 2.698 4.850 ( 1.269 0.000 3.040) 3.294 4.871 ( -0.559 0.000 -0.480) 0.737 4.969 ( 2.121 0.000 1.686) 2.709 4.990 ( -0.995 0.000 0.399) 1.073 5.077 ( 0.755 0.000 -1.786) 1.938 5.137 ( -2.871 0.000 1.421) 3.203 5.196 ( 1.322 0.000 -2.093) 2.476 5.654 ( -4.116 0.000 1.355) 4.334 5.694 ( -0.499 0.000 -3.462) 3.498 5.927 ( 0.690 0.000 2.957) 3.036 6.058 ( 1.268 0.000 -2.390) 2.705 6.314 ( 1.140 0.000 1.902) 2.218 6.379 ( 0.434 0.000 -0.806) 0.915 6.437 ( 0.150 0.000 -0.137) 0.203 6.463 ( 0.380 0.000 -0.497) 0.625 6.971 ( 0.466 0.000 -1.263) 1.347 6.977 ( -0.706 0.000 -0.106) 0.714 7.016 ( 0.221 0.000 -0.926) 0.952 7.078 ( -2.562 0.000 0.529) 2.616 10.079 ( -0.128 0.000 -0.440) 0.458 10.086 ( -0.195 0.000 -0.514) 0.549 10.136 ( 0.169 0.000 -0.022) 0.170 10.149 ( -0.871 0.000 0.337) 0.934 10.515 ( 0.075 0.000 0.091) 0.118 10.599 ( 2.794 0.000 4.499) 5.296 10.636 ( -0.863 0.000 -2.076) 2.248 10.852 ( -0.867 0.000 1.017) 1.336 10.966 ( -1.075 0.000 0.975) 1.451 10.981 ( 0.313 0.000 0.066) 0.320 11.032 ( 0.712 0.000 2.342) 2.448 11.035 ( 1.133 0.000 -1.560) 1.928 11.108 ( -1.391 0.000 -0.212) 1.407 11.194 ( 0.165 0.000 2.756) 2.761 11.315 ( -0.102 0.000 -2.389) 2.391 11.335 ( -1.230 0.000 -4.977) 5.126 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 10.187 0.000 2.940) 10.603 0.797 ( 3.685 0.000 4.097) 5.510 0.843 ( -6.478 0.000 -6.477) 9.161 0.897 ( -3.351 0.000 -5.609) 6.534 1.067 ( 1.873 0.000 0.838) 2.052 1.080 ( 0.151 0.000 -0.467) 0.490 1.113 ( 0.955 0.000 -0.576) 1.115 1.123 ( 1.513 0.000 -0.368) 1.557 1.156 ( 0.013 0.000 0.811) 0.811 1.232 ( -4.012 0.000 -6.286) 7.457 1.317 ( 0.432 0.000 1.095) 1.177 1.321 ( -2.652 0.000 2.180) 3.434 1.362 ( 1.885 0.000 -0.524) 1.957 1.378 ( 0.179 0.000 -3.609) 3.614 1.416 ( 2.140 0.000 -0.558) 2.212 1.439 ( 0.534 0.000 -2.855) 2.904 1.549 ( -0.528 0.000 1.952) 2.023 1.562 ( 3.833 0.000 -0.362) 3.850 1.606 ( 2.146 0.000 2.950) 3.648 1.635 ( -2.401 0.000 1.767) 2.981 1.665 ( 0.158 0.000 -0.550) 0.572 1.695 ( -3.737 0.000 -3.889) 5.394 1.788 ( 3.697 0.000 1.018) 3.834 1.800 ( -6.480 0.000 1.377) 6.625 1.804 ( -4.986 0.000 1.864) 5.323 1.867 ( 5.642 0.000 -2.495) 6.169 1.899 ( -4.031 0.000 3.799) 5.540 1.943 ( 4.662 0.000 -0.981) 4.764 1.977 ( -2.833 0.000 1.100) 3.039 2.014 ( 5.476 0.000 1.870) 5.786 2.020 ( 4.436 0.000 -2.385) 5.036 2.071 ( -3.454 0.000 -1.755) 3.874 2.095 ( -3.853 0.000 1.740) 4.228 2.147 ( 1.959 0.000 -2.374) 3.077 2.176 ( 3.352 0.000 1.828) 3.818 2.194 ( -3.926 0.000 -0.819) 4.010 2.403 ( -2.008 0.000 -2.941) 3.561 2.421 ( -0.884 0.000 -2.079) 2.259 2.479 ( 2.120 0.000 -1.563) 2.634 2.511 ( -2.773 0.000 -2.719) 3.884 2.556 ( 1.637 0.000 2.309) 2.830 2.576 ( -0.519 0.000 0.445) 0.683 2.752 ( 1.248 0.000 1.554) 1.994 2.755 ( 1.004 0.000 1.361) 1.691 2.792 ( 1.035 0.000 -1.021) 1.454 2.795 ( -4.380 0.000 -1.172) 4.534 2.907 ( -1.807 0.000 1.036) 2.083 2.930 ( 2.402 0.000 -1.460) 2.811 3.005 ( -0.680 0.000 6.065) 6.103 3.037 ( 2.741 0.000 3.399) 4.366 3.077 ( -2.714 0.000 -0.530) 2.765 3.095 ( 0.768 0.000 -2.738) 2.844 3.348 ( 0.249 0.000 1.317) 1.340 3.361 ( -0.607 0.000 -0.167) 0.630 3.587 ( 2.634 0.000 0.519) 2.684 3.591 ( -2.816 0.000 0.167) 2.821 4.296 ( -0.567 0.000 1.244) 1.367 4.308 ( 0.890 0.000 0.107) 0.896 4.498 ( 1.066 0.000 1.700) 2.006 4.533 ( -0.829 0.000 -1.778) 1.962 4.807 ( 3.009 0.000 0.588) 3.066 4.827 ( -3.101 0.000 -1.382) 3.395 4.903 ( 0.477 0.000 3.750) 3.780 4.971 ( 0.509 0.000 -2.459) 2.511 5.002 ( -2.121 0.000 2.898) 3.592 5.060 ( 0.350 0.000 -2.513) 2.537 5.125 ( -1.338 0.000 2.588) 2.913 5.187 ( 1.571 0.000 -3.119) 3.492 5.622 ( -2.371 0.000 1.968) 3.081 5.670 ( 1.987 0.000 -2.831) 3.459 5.968 ( -0.198 0.000 3.506) 3.512 6.037 ( 0.229 0.000 -3.289) 3.297 6.348 ( 0.158 0.000 1.789) 1.796 6.375 ( 0.330 0.000 -0.973) 1.028 6.444 ( 0.219 0.000 0.655) 0.691 6.463 ( 0.438 0.000 -1.002) 1.093 6.967 ( -0.559 0.000 0.063) 0.562 6.974 ( 0.822 0.000 -0.578) 1.005 7.031 ( 2.239 0.000 0.163) 2.245 7.038 ( -2.324 0.000 -0.530) 2.384 10.077 ( 0.232 0.000 -0.232) 0.328 10.079 ( -0.063 0.000 -0.372) 0.377 10.141 ( -0.522 0.000 0.260) 0.584 10.143 ( 0.468 0.000 0.102) 0.479 10.542 ( 1.535 0.000 1.955) 2.485 10.588 ( -1.580 0.000 -2.706) 3.134 10.717 ( 3.897 0.000 6.131) 7.265 10.815 ( -2.632 0.000 -3.080) 4.052 10.961 ( -0.759 0.000 0.967) 1.230 10.983 ( 0.240 0.000 -0.557) 0.606 11.038 ( 0.823 0.000 -0.452) 0.939 11.051 ( -0.152 0.000 -1.133) 1.143 11.114 ( -0.553 0.000 5.627) 5.655 11.197 ( -2.466 0.000 -0.231) 2.477 11.279 ( 1.453 0.000 -3.423) 3.718 11.292 ( 0.742 0.000 -2.791) 2.888 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -13.600 0.000 -7.472) 15.518 0.678 ( -11.602 0.000 -2.432) 11.854 0.884 ( -0.402 0.000 4.165) 4.185 0.948 ( 6.778 0.000 0.411) 6.790 1.038 ( -3.270 0.000 -3.222) 4.590 1.066 ( -2.008 0.000 0.118) 2.012 1.109 ( -2.830 0.000 -3.086) 4.187 1.121 ( 1.553 0.000 -0.276) 1.577 1.152 ( -0.722 0.000 0.991) 1.226 1.261 ( 5.457 0.000 5.376) 7.661 1.312 ( -1.073 0.000 -0.625) 1.241 1.322 ( -2.528 0.000 0.924) 2.691 1.323 ( -0.958 0.000 0.218) 0.982 1.360 ( -1.652 0.000 -0.266) 1.673 1.438 ( 3.727 0.000 -1.816) 4.146 1.450 ( 2.920 0.000 -0.553) 2.971 1.516 ( -1.961 0.000 -1.632) 2.551 1.537 ( -8.329 0.000 -2.780) 8.781 1.587 ( -1.428 0.000 -0.114) 1.433 1.625 ( -0.948 0.000 -1.167) 1.504 1.636 ( -2.230 0.000 0.610) 2.312 1.691 ( -8.746 0.000 3.860) 9.560 1.712 ( 3.350 0.000 4.687) 5.762 1.768 ( -1.140 0.000 1.736) 2.077 1.841 ( 0.730 0.000 -0.585) 0.936 1.856 ( -5.066 0.000 0.441) 5.086 1.874 ( -2.910 0.000 -2.517) 3.847 1.910 ( -0.487 0.000 -0.951) 1.069 1.989 ( 2.015 0.000 1.631) 2.593 2.031 ( 3.148 0.000 -2.380) 3.947 2.057 ( 1.698 0.000 -2.967) 3.419 2.098 ( -0.600 0.000 2.788) 2.851 2.107 ( 1.453 0.000 -1.158) 1.858 2.165 ( 3.543 0.000 0.200) 3.549 2.189 ( 3.609 0.000 -1.776) 4.022 2.292 ( 8.542 0.000 1.065) 8.608 2.414 ( 2.047 0.000 2.245) 3.038 2.420 ( 2.225 0.000 4.820) 5.308 2.456 ( -0.505 0.000 -1.566) 1.645 2.545 ( 3.916 0.000 2.021) 4.407 2.564 ( -0.200 0.000 -2.084) 2.093 2.614 ( 4.824 0.000 0.223) 4.829 2.713 ( -4.186 0.000 -1.347) 4.397 2.721 ( -3.801 0.000 0.265) 3.810 2.775 ( -0.136 0.000 1.459) 1.465 2.854 ( 4.533 0.000 1.191) 4.687 2.920 ( 2.029 0.000 0.289) 2.049 2.975 ( 4.598 0.000 -0.901) 4.685 3.014 ( -2.882 0.000 -1.833) 3.416 3.040 ( -2.451 0.000 3.627) 4.377 3.042 ( -1.845 0.000 -5.117) 5.439 3.103 ( 1.485 0.000 1.975) 2.472 3.345 ( -0.651 0.000 -0.810) 1.039 3.359 ( -0.377 0.000 1.062) 1.127 3.547 ( -2.845 0.000 -0.154) 2.849 3.633 ( 2.711 0.000 0.316) 2.730 4.286 ( -1.585 0.000 0.288) 1.611 4.304 ( -0.909 0.000 -1.122) 1.444 4.503 ( -0.177 0.000 -1.673) 1.682 4.538 ( 1.471 0.000 1.373) 2.012 4.762 ( -3.375 0.000 -0.728) 3.453 4.856 ( 1.629 0.000 0.945) 1.883 4.928 ( -0.596 0.000 -4.411) 4.451 4.944 ( -0.259 0.000 2.886) 2.898 5.014 ( -1.723 0.000 4.828) 5.126 5.030 ( -0.771 0.000 -2.355) 2.478 5.141 ( -1.119 0.000 2.939) 3.145 5.184 ( 2.839 0.000 -2.998) 4.129 5.630 ( -0.136 0.000 2.931) 2.934 5.686 ( 3.737 0.000 -2.127) 4.300 5.991 ( -1.087 0.000 -3.454) 3.621 6.000 ( -0.890 0.000 3.381) 3.496 6.362 ( -0.300 0.000 1.000) 1.044 6.362 ( -0.141 0.000 -2.173) 2.178 6.448 ( -0.408 0.000 -1.557) 1.609 6.452 ( -0.133 0.000 0.611) 0.625 6.957 ( -0.893 0.000 0.016) 0.893 6.979 ( 0.693 0.000 -0.390) 0.795 7.007 ( -1.003 0.000 -0.075) 1.005 7.080 ( 3.353 0.000 0.316) 3.368 10.076 ( 0.225 0.000 -0.150) 0.270 10.080 ( 0.316 0.000 0.016) 0.316 10.137 ( -0.289 0.000 -0.035) 0.291 10.152 ( 0.616 0.000 0.018) 0.616 10.537 ( -1.185 0.000 -2.062) 2.378 10.592 ( 1.547 0.000 2.286) 2.760 10.711 ( -3.367 0.000 -6.307) 7.150 10.831 ( 2.818 0.000 3.552) 4.534 10.964 ( -0.887 0.000 1.502) 1.744 10.980 ( 0.606 0.000 -0.647) 0.886 11.030 ( -0.585 0.000 -0.978) 1.140 11.050 ( 0.641 0.000 0.292) 0.705 11.140 ( -1.383 0.000 -2.632) 2.973 11.197 ( 0.640 0.000 8.195) 8.220 11.267 ( 0.845 0.000 -4.072) 4.159 11.287 ( 1.355 0.000 -0.160) 1.364 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -7.200 0.000 11.389) 13.474 0.485 ( -12.351 0.000 3.333) 12.793 0.860 ( -12.322 0.000 6.333) 13.854 0.920 ( -4.838 0.000 -5.531) 7.348 0.988 ( -5.700 0.000 1.131) 5.811 1.001 ( 1.355 0.000 -0.971) 1.667 1.056 ( -1.607 0.000 -0.131) 1.612 1.148 ( -1.164 0.000 0.603) 1.311 1.156 ( 2.671 0.000 -0.030) 2.672 1.270 ( -2.028 0.000 -1.121) 2.317 1.282 ( -1.745 0.000 0.214) 1.758 1.315 ( -2.908 0.000 -1.728) 3.382 1.320 ( -0.554 0.000 1.283) 1.397 1.386 ( -5.835 0.000 -2.022) 6.175 1.415 ( 4.364 0.000 3.325) 5.487 1.481 ( 1.024 0.000 1.712) 1.995 1.505 ( 3.426 0.000 -2.471) 4.224 1.512 ( 4.400 0.000 0.485) 4.426 1.554 ( -3.291 0.000 1.381) 3.569 1.600 ( -1.908 0.000 0.696) 2.031 1.603 ( -2.224 0.000 -0.205) 2.233 1.651 ( -1.149 0.000 2.018) 2.322 1.745 ( -5.641 0.000 -0.847) 5.704 1.785 ( -0.095 0.000 -0.504) 0.512 1.806 ( 1.927 0.000 -0.086) 1.929 1.829 ( -0.855 0.000 3.078) 3.194 1.848 ( -0.687 0.000 -0.674) 0.963 1.874 ( 0.872 0.000 -2.803) 2.935 2.019 ( -0.971 0.000 -1.581) 1.855 2.045 ( 2.391 0.000 -0.014) 2.391 2.051 ( 1.172 0.000 0.395) 1.236 2.087 ( 0.756 0.000 -1.580) 1.751 2.164 ( 1.848 0.000 3.846) 4.267 2.199 ( -1.006 0.000 1.135) 1.517 2.218 ( 3.949 0.000 -2.952) 4.930 2.427 ( 0.000 0.000 -3.472) 3.472 2.429 ( 7.066 0.000 -0.226) 7.070 2.496 ( 3.516 0.000 2.501) 4.315 2.513 ( -0.924 0.000 0.042) 0.924 2.552 ( 2.095 0.000 4.301) 4.784 2.625 ( 0.078 0.000 -1.294) 1.296 2.637 ( 2.104 0.000 -0.069) 2.105 2.686 ( -2.172 0.000 2.015) 2.963 2.720 ( 5.510 0.000 1.209) 5.641 2.799 ( 1.186 0.000 1.415) 1.846 2.902 ( 0.474 0.000 -1.452) 1.528 2.931 ( -2.947 0.000 -6.079) 6.756 2.957 ( -0.163 0.000 -2.054) 2.061 2.971 ( 4.056 0.000 0.146) 4.058 3.030 ( 3.231 0.000 -0.897) 3.354 3.033 ( -2.616 0.000 2.296) 3.480 3.117 ( -1.737 0.000 0.424) 1.788 3.327 ( 0.589 0.000 -2.259) 2.335 3.367 ( 0.138 0.000 0.598) 0.614 3.503 ( -2.880 0.000 0.539) 2.930 3.674 ( 2.527 0.000 -0.679) 2.617 4.258 ( -2.075 0.000 -1.854) 2.783 4.263 ( -1.212 0.000 -0.211) 1.230 4.497 ( 1.035 0.000 -0.433) 1.122 4.568 ( 1.112 0.000 0.383) 1.176 4.716 ( -2.565 0.000 0.872) 2.709 4.855 ( -2.323 0.000 -5.139) 5.640 4.859 ( -1.931 0.000 -0.221) 1.944 4.946 ( -2.187 0.000 -0.857) 2.349 5.009 ( 1.425 0.000 -0.022) 1.426 5.050 ( -0.184 0.000 2.805) 2.811 5.154 ( -1.550 0.000 2.694) 3.108 5.200 ( 2.926 0.000 -2.410) 3.791 5.684 ( 2.077 0.000 3.815) 4.344 5.736 ( 5.046 0.000 -1.131) 5.171 5.927 ( -2.413 0.000 -2.754) 3.662 6.016 ( -1.530 0.000 2.577) 2.997 6.309 ( -1.815 0.000 -2.644) 3.207 6.366 ( -0.344 0.000 0.754) 0.829 6.433 ( -0.172 0.000 0.172) 0.243 6.456 ( -0.066 0.000 0.425) 0.430 6.954 ( 0.002 0.000 1.978) 1.978 6.988 ( 0.772 0.000 0.034) 0.773 7.009 ( 0.275 0.000 1.226) 1.257 7.127 ( 2.832 0.000 -0.853) 2.958 10.085 ( 0.912 0.000 0.183) 0.930 10.086 ( 0.295 0.000 0.319) 0.435 10.134 ( 0.042 0.000 0.226) 0.230 10.160 ( 0.306 0.000 0.046) 0.310 10.516 ( 0.206 0.000 0.061) 0.215 10.592 ( -2.921 0.000 -4.538) 5.397 10.632 ( 0.458 0.000 1.644) 1.707 10.870 ( 0.446 0.000 -0.729) 0.855 10.965 ( -1.100 0.000 1.253) 1.667 10.990 ( 1.102 0.000 -0.105) 1.107 11.016 ( -0.425 0.000 0.023) 0.426 11.039 ( -0.519 0.000 -2.399) 2.454 11.126 ( 1.009 0.000 -0.026) 1.009 11.213 ( -1.395 0.000 -4.999) 5.191 11.310 ( 0.953 0.000 1.187) 1.522 11.315 ( 2.732 0.000 7.471) 7.955 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -4.215 0.000 11.775) 12.507 0.563 ( -7.451 0.000 15.610) 17.297 0.783 ( -4.738 0.000 20.098) 20.649 0.796 ( -0.032 0.000 -8.204) 8.204 0.922 ( -3.537 0.000 -2.525) 4.346 0.998 ( -0.354 0.000 0.123) 0.375 1.045 ( -0.819 0.000 1.748) 1.931 1.158 ( 0.385 0.000 2.424) 2.454 1.184 ( 0.099 0.000 -0.256) 0.275 1.212 ( -1.863 0.000 -1.547) 2.422 1.237 ( -2.301 0.000 -1.294) 2.640 1.281 ( 1.028 0.000 -1.460) 1.785 1.314 ( -2.084 0.000 0.037) 2.084 1.349 ( 1.225 0.000 1.327) 1.806 1.478 ( -0.260 0.000 -2.890) 2.902 1.496 ( 2.359 0.000 1.065) 2.588 1.516 ( -0.280 0.000 0.726) 0.778 1.526 ( -3.547 0.000 2.775) 4.503 1.534 ( -0.235 0.000 -1.574) 1.592 1.581 ( -2.885 0.000 -0.159) 2.890 1.610 ( 1.964 0.000 -0.517) 2.031 1.644 ( 1.648 0.000 -0.191) 1.659 1.707 ( 1.409 0.000 0.984) 1.718 1.730 ( -3.121 0.000 -4.118) 5.167 1.779 ( -1.718 0.000 -1.810) 2.496 1.827 ( -2.100 0.000 -0.168) 2.107 1.847 ( 1.645 0.000 1.131) 1.996 1.942 ( 1.775 0.000 2.026) 2.694 1.994 ( 1.325 0.000 -0.816) 1.556 2.031 ( 0.383 0.000 -3.662) 3.682 2.087 ( -1.090 0.000 0.954) 1.449 2.111 ( -1.732 0.000 0.948) 1.974 2.171 ( 0.074 0.000 -3.235) 3.236 2.177 ( -1.097 0.000 1.981) 2.265 2.272 ( 3.657 0.000 1.792) 4.072 2.396 ( 2.110 0.000 -2.187) 3.039 2.450 ( -2.128 0.000 -3.072) 3.737 2.475 ( -1.631 0.000 0.237) 1.648 2.543 ( -1.345 0.000 -3.731) 3.966 2.588 ( 3.907 0.000 -2.787) 4.799 2.636 ( -0.504 0.000 5.209) 5.233 2.646 ( -1.242 0.000 0.471) 1.329 2.683 ( -1.829 0.000 2.652) 3.221 2.805 ( 4.147 0.000 1.068) 4.282 2.819 ( 1.387 0.000 -2.613) 2.958 2.867 ( -0.553 0.000 -2.465) 2.527 2.904 ( 3.178 0.000 0.693) 3.253 2.953 ( 1.479 0.000 -1.658) 2.222 3.011 ( -2.168 0.000 1.453) 2.610 3.024 ( -2.673 0.000 -2.846) 3.905 3.039 ( 3.619 0.000 0.035) 3.619 3.083 ( -1.253 0.000 0.743) 1.456 3.309 ( 1.364 0.000 -3.482) 3.740 3.353 ( -1.851 0.000 -1.933) 2.676 3.496 ( -0.672 0.000 3.828) 3.886 3.672 ( 0.228 0.000 -3.340) 3.348 4.237 ( 0.376 0.000 0.456) 0.591 4.249 ( -0.167 0.000 -0.371) 0.407 4.522 ( 1.515 0.000 0.826) 1.726 4.579 ( 0.473 0.000 -0.613) 0.774 4.705 ( -1.527 0.000 1.996) 2.513 4.741 ( -5.406 0.000 -1.022) 5.502 4.807 ( -2.689 0.000 -1.662) 3.161 4.884 ( -2.268 0.000 -2.972) 3.739 5.044 ( 1.453 0.000 0.915) 1.717 5.058 ( -0.438 0.000 0.254) 0.506 5.147 ( -2.156 0.000 1.935) 2.897 5.209 ( 1.930 0.000 -2.649) 3.278 5.759 ( 0.625 0.000 3.351) 3.409 5.782 ( 3.452 0.000 -2.938) 4.533 5.875 ( -0.320 0.000 -0.621) 0.698 6.001 ( -2.860 0.000 0.390) 2.886 6.333 ( 4.607 0.000 2.107) 5.066 6.370 ( -0.316 0.000 0.805) 0.865 6.435 ( -0.186 0.000 0.306) 0.358 6.458 ( -0.284 0.000 0.272) 0.393 7.005 ( 0.927 0.000 0.720) 1.174 7.006 ( 2.396 0.000 1.788) 2.990 7.044 ( 1.543 0.000 2.157) 2.652 7.140 ( 1.252 0.000 -2.345) 2.659 10.104 ( 1.334 0.000 0.813) 1.562 10.107 ( 1.337 0.000 0.495) 1.426 10.146 ( 0.390 0.000 0.654) 0.762 10.161 ( -0.296 0.000 0.086) 0.309 10.544 ( 1.156 0.000 2.049) 2.353 10.571 ( 3.181 0.000 2.273) 3.910 10.642 ( -0.867 0.000 0.701) 1.115 10.840 ( -1.252 0.000 -3.269) 3.501 10.960 ( -1.091 0.000 0.950) 1.446 11.001 ( -0.787 0.000 -0.853) 1.160 11.010 ( 2.080 0.000 -1.909) 2.823 11.020 ( 0.372 0.000 0.919) 0.992 11.115 ( -4.909 0.000 -2.580) 5.546 11.128 ( -0.255 0.000 -1.272) 1.297 11.347 ( 1.076 0.000 2.426) 2.654 11.421 ( 3.200 0.000 1.356) 3.475 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -3.806 3.707 11.594) 12.753 0.668 ( 1.220 6.717 11.082) 13.016 0.760 ( 5.138 1.040 -8.778) 10.224 0.844 ( -2.078 4.642 -6.834) 8.519 0.993 ( 1.971 -1.748 2.628) 3.721 1.047 ( -0.147 -0.372 -1.484) 1.537 1.102 ( 1.855 2.066 4.537) 5.320 1.162 ( -0.326 0.536 -2.675) 2.747 1.181 ( 0.399 -2.715 3.578) 4.509 1.232 ( 1.051 -0.121 1.220) 1.615 1.242 ( 0.901 2.082 0.170) 2.275 1.265 ( -0.762 -0.846 -2.535) 2.779 1.337 ( 1.336 -0.617 0.958) 1.756 1.379 ( 0.996 -3.374 -1.467) 3.812 1.430 ( 1.161 2.242 2.615) 3.634 1.458 ( -1.647 1.606 2.842) 3.657 1.479 ( -1.628 -0.582 0.263) 1.749 1.511 ( -0.425 -2.108 1.827) 2.822 1.532 ( 0.698 1.687 1.371) 2.283 1.620 ( 0.918 2.831 1.432) 3.303 1.652 ( -2.173 1.698 -1.230) 3.020 1.691 ( 2.573 2.035 -0.308) 3.295 1.710 ( -0.266 4.389 1.132) 4.540 1.746 ( 1.465 1.922 -0.523) 2.473 1.762 ( -0.179 0.166 -0.697) 0.738 1.788 ( -2.455 3.494 -4.959) 6.544 1.851 ( 0.853 -2.265 2.480) 3.465 1.922 ( -2.367 -1.804 -3.436) 4.546 1.974 ( -1.865 -0.181 0.376) 1.911 2.002 ( 0.206 -0.866 -2.607) 2.755 2.046 ( 0.742 1.815 -0.188) 1.970 2.075 ( -1.869 3.056 -2.028) 4.116 2.203 ( 1.745 -0.215 1.687) 2.437 2.219 ( -0.050 0.262 0.351) 0.441 2.350 ( -1.055 -1.270 0.113) 1.655 2.360 ( 0.371 -0.669 1.307) 1.514 2.383 ( 2.691 -1.503 1.494) 3.425 2.442 ( -2.262 -0.248 -2.788) 3.599 2.517 ( 1.464 -3.108 4.359) 5.550 2.587 ( -2.524 -3.019 -1.622) 4.256 2.626 ( -1.180 1.356 0.216) 1.811 2.651 ( 3.512 0.241 -2.169) 4.135 2.697 ( -1.609 -1.591 3.893) 4.503 2.742 ( 0.255 -2.736 -1.340) 3.057 2.842 ( -2.068 -0.847 -1.041) 2.465 2.860 ( 0.753 -1.190 -3.805) 4.057 2.888 ( -0.608 -0.907 1.577) 1.918 2.925 ( 0.207 -2.350 -2.128) 3.177 2.967 ( 1.480 -1.985 1.040) 2.686 2.989 ( -1.016 -1.011 -0.996) 1.746 3.061 ( -0.002 -1.379 0.741) 1.565 3.071 ( 0.829 -1.817 -0.382) 2.034 3.299 ( -1.638 1.705 -0.183) 2.372 3.318 ( 0.323 1.695 -2.052) 2.681 3.566 ( 0.512 1.675 3.497) 3.911 3.631 ( -0.297 0.059 -2.971) 2.986 4.243 ( -0.323 0.025 0.383) 0.502 4.248 ( 0.158 -0.000 -0.156) 0.222 4.543 ( 0.217 -0.317 0.925) 1.002 4.562 ( -0.295 -0.887 -0.940) 1.326 4.711 ( 0.931 0.874 2.413) 2.731 4.753 ( 0.542 0.188 1.328) 1.446 4.762 ( -0.543 1.096 -0.181) 1.236 4.823 ( -1.173 0.234 -3.171) 3.389 5.010 ( 0.548 -2.568 2.871) 3.890 5.054 ( -1.229 -2.207 -1.342) 2.860 5.159 ( 0.041 1.126 1.251) 1.683 5.201 ( 0.770 -0.148 -2.696) 2.808 5.797 ( -3.407 3.285 0.128) 4.734 5.817 ( 2.005 1.823 -1.632) 3.163 5.934 ( 4.845 0.926 1.169) 5.069 5.955 ( -4.083 0.937 -1.014) 4.310 6.366 ( -0.451 -0.497 0.831) 1.068 6.379 ( 0.858 -1.068 -0.380) 1.422 6.454 ( 0.375 0.650 0.520) 0.913 6.463 ( 0.447 0.621 -0.351) 0.842 7.009 ( -0.185 -1.124 1.551) 1.925 7.029 ( 0.753 -1.576 0.129) 1.751 7.083 ( -0.145 1.512 0.896) 1.764 7.129 ( -0.075 0.624 -2.972) 3.038 10.125 ( 0.003 -0.071 0.290) 0.298 10.129 ( 0.510 -0.077 -0.147) 0.536 10.154 ( -0.426 0.676 1.288) 1.516 10.173 ( 0.194 0.802 -0.630) 1.038 10.599 ( 1.403 0.711 3.398) 3.744 10.644 ( -0.429 0.871 0.985) 1.383 10.687 ( 3.530 1.417 -0.428) 3.828 10.756 ( -3.082 -0.314 -4.984) 5.868 10.955 ( -1.261 0.084 0.992) 1.607 10.978 ( 0.088 -0.250 -1.335) 1.361 11.018 ( -1.101 -0.405 0.414) 1.244 11.025 ( 0.439 -0.558 -0.423) 0.826 11.068 ( 1.735 0.800 1.669) 2.537 11.104 ( -1.783 0.410 -1.889) 2.629 11.388 ( 0.703 -0.025 2.159) 2.271 11.427 ( 0.399 -0.937 -1.768) 2.040 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 3.911 4.322 5.584) 8.072 0.707 ( 2.393 4.345 -7.797) 9.241 0.807 ( 6.898 3.476 -4.720) 9.052 0.861 ( 7.966 3.002 4.493) 9.626 1.004 ( -0.265 -2.764 -3.795) 4.702 1.045 ( 0.538 -0.563 0.635) 1.005 1.114 ( -2.352 0.437 -4.236) 4.865 1.169 ( 3.084 1.397 1.667) 3.774 1.203 ( -0.334 -1.073 -3.271) 3.458 1.208 ( 1.011 0.401 1.172) 1.599 1.248 ( 0.594 -0.460 0.373) 0.839 1.271 ( -0.301 1.482 0.144) 1.519 1.346 ( 1.516 -1.908 -2.269) 3.330 1.388 ( 2.124 -3.352 -0.128) 3.970 1.413 ( -2.889 0.290 -1.680) 3.355 1.478 ( 1.189 1.121 1.902) 2.507 1.483 ( 1.432 -1.219 1.883) 2.661 1.530 ( 2.026 -3.344 -1.637) 4.239 1.578 ( -0.776 2.200 -2.253) 3.243 1.630 ( -0.655 2.795 0.263) 2.883 1.632 ( -1.513 4.008 0.371) 4.301 1.682 ( 0.708 2.990 -4.353) 5.328 1.702 ( -0.013 3.930 2.043) 4.429 1.730 ( 0.884 3.248 -0.164) 3.370 1.745 ( -0.211 1.309 1.922) 2.335 1.826 ( 3.046 0.930 1.003) 3.339 1.851 ( -0.072 -1.433 -0.316) 1.469 1.923 ( -2.029 -1.625 3.910) 4.695 1.939 ( 0.944 -0.822 0.805) 1.489 2.017 ( 0.047 4.797 1.673) 5.080 2.049 ( 3.234 0.266 0.869) 3.359 2.114 ( 4.045 0.172 0.965) 4.162 2.172 ( -4.064 -0.192 -1.790) 4.445 2.211 ( -1.617 -0.279 -0.751) 1.805 2.326 ( -3.747 -1.079 -0.010) 3.899 2.370 ( -0.015 -0.278 -2.664) 2.679 2.394 ( 2.955 -0.279 1.423) 3.291 2.459 ( 1.072 -1.663 0.574) 2.060 2.518 ( -2.504 -1.592 -1.107) 3.167 2.560 ( -1.486 0.353 -1.113) 1.890 2.615 ( 2.105 -2.808 3.513) 4.966 2.689 ( 1.067 -1.230 -0.982) 1.901 2.712 ( -0.101 -2.012 1.978) 2.823 2.728 ( -0.943 -1.029 -1.909) 2.365 2.816 ( -0.651 -1.758 3.063) 3.591 2.840 ( -1.725 0.438 -0.464) 1.840 2.871 ( -1.268 -1.618 -0.286) 2.076 2.929 ( -1.241 0.044 -0.441) 1.317 2.956 ( -0.083 -2.408 0.651) 2.496 3.005 ( 1.474 -2.655 0.529) 3.083 3.040 ( -2.189 -0.984 -0.679) 2.494 3.070 ( -0.084 -1.750 -0.581) 1.846 3.269 ( -2.029 1.920 1.542) 3.191 3.327 ( 0.870 0.342 0.620) 1.122 3.583 ( -0.831 0.822 -2.265) 2.548 3.613 ( 0.256 0.969 2.033) 2.266 4.242 ( 0.004 0.185 0.194) 0.268 4.249 ( 0.142 0.245 -0.133) 0.312 4.538 ( -1.492 -0.342 -0.919) 1.786 4.557 ( 0.129 -0.611 0.819) 1.030 4.733 ( 1.539 -0.287 -1.581) 2.225 4.758 ( 0.617 -0.485 -0.322) 0.848 4.793 ( 3.044 1.338 -0.102) 3.326 4.832 ( 2.723 1.226 2.618) 3.971 5.019 ( -0.723 -2.375 -1.639) 2.975 5.049 ( 0.273 -1.719 2.343) 2.919 5.168 ( -0.371 0.693 0.298) 0.840 5.190 ( 1.122 -0.076 -1.175) 1.626 5.743 ( -4.089 2.097 1.757) 4.920 5.857 ( 1.099 0.026 0.658) 1.281 5.874 ( -2.703 3.329 -1.928) 4.702 6.007 ( 3.487 0.270 0.482) 3.531 6.354 ( -1.683 0.181 -0.229) 1.708 6.382 ( 0.269 -0.642 -0.618) 0.931 6.446 ( -0.449 0.586 -0.319) 0.804 6.470 ( 0.418 0.119 -0.651) 0.783 7.009 ( -1.080 -0.720 0.111) 1.303 7.024 ( -0.382 -0.838 -1.193) 1.507 7.082 ( -1.399 0.784 -0.619) 1.719 7.100 ( -0.964 0.576 1.274) 1.699 10.110 ( -1.608 -0.304 -0.161) 1.644 10.114 ( -1.444 -0.359 -0.411) 1.544 10.165 ( -0.009 0.886 0.238) 0.917 10.174 ( 0.590 1.232 -0.190) 1.379 10.580 ( -3.058 0.436 -1.362) 3.376 10.632 ( -3.952 -1.000 -3.807) 5.578 10.677 ( 1.739 2.849 0.659) 3.402 10.770 ( 2.855 -0.036 2.933) 4.094 10.952 ( -1.327 -0.199 1.947) 2.365 10.969 ( -0.233 -0.452 -0.027) 0.510 11.007 ( -0.521 0.447 0.222) 0.721 11.030 ( 0.564 -1.189 -0.211) 1.333 11.078 ( 0.964 0.294 -1.006) 1.424 11.131 ( 2.974 1.322 1.653) 3.650 11.392 ( -1.135 -0.697 -2.057) 2.451 11.409 ( -0.646 -0.531 0.417) 0.934 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.468 3.927 -9.896) 12.457 0.788 ( 2.209 4.785 -9.407) 10.782 0.849 ( 6.278 3.892 2.307) 7.738 0.957 ( 3.067 -1.905 -1.715) 3.997 0.991 ( -0.149 1.125 -1.598) 1.960 1.024 ( 3.480 1.581 0.862) 3.918 1.071 ( 0.805 0.357 -1.607) 1.832 1.163 ( -0.568 0.183 -0.627) 0.866 1.208 ( -0.136 3.269 -0.414) 3.298 1.264 ( 1.573 -0.618 -0.912) 1.920 1.277 ( 3.307 0.361 1.363) 3.594 1.280 ( 2.968 -0.189 0.631) 3.041 1.352 ( 0.354 1.314 -1.755) 2.221 1.357 ( 2.801 -1.924 -1.380) 3.668 1.439 ( 0.419 -0.870 0.567) 1.120 1.490 ( 0.443 -1.704 0.146) 1.767 1.508 ( -1.707 -0.167 -2.128) 2.733 1.553 ( 1.423 -0.953 0.054) 1.713 1.579 ( 0.651 1.562 2.276) 2.836 1.612 ( -1.237 2.038 0.399) 2.417 1.629 ( 6.540 -1.203 -2.279) 7.030 1.666 ( 1.577 2.666 -2.009) 3.692 1.701 ( -1.533 1.526 -1.765) 2.792 1.759 ( 2.922 -2.399 -0.742) 3.853 1.760 ( 1.392 2.849 3.021) 4.380 1.842 ( -1.559 1.149 0.861) 2.119 1.863 ( -0.350 0.684 1.272) 1.486 1.925 ( -1.153 2.036 -0.117) 2.343 1.976 ( 1.571 -0.567 0.898) 1.896 2.037 ( 0.391 2.718 1.868) 3.321 2.061 ( -4.179 -0.730 -2.224) 4.790 2.144 ( 0.607 -2.577 -1.672) 3.131 2.153 ( -1.588 0.231 0.890) 1.835 2.165 ( -1.569 0.607 0.149) 1.689 2.276 ( 0.593 1.594 -1.281) 2.130 2.348 ( -1.027 -1.250 -0.432) 1.675 2.431 ( -0.148 -0.012 -0.981) 0.992 2.456 ( 0.784 -0.099 2.706) 2.819 2.515 ( -0.816 0.622 1.062) 1.477 2.566 ( 0.655 -3.170 2.247) 3.940 2.651 ( -3.036 0.099 -4.413) 5.357 2.672 ( -1.447 0.876 -0.671) 1.820 2.676 ( 0.215 -0.513 2.059) 2.133 2.725 ( -0.287 -2.941 -0.527) 3.002 2.802 ( -1.028 -0.149 0.276) 1.075 2.844 ( -1.393 -2.037 -0.176) 2.474 2.881 ( 0.494 -1.378 4.426) 4.662 2.885 ( -1.561 0.565 0.547) 1.748 2.947 ( -3.684 -1.231 -0.146) 3.887 3.015 ( -1.195 0.091 2.032) 2.359 3.037 ( 0.955 -2.671 0.859) 2.964 3.072 ( 1.074 -2.154 0.251) 2.420 3.275 ( -0.283 0.097 2.374) 2.393 3.341 ( -0.265 -1.664 0.708) 1.828 3.550 ( 0.488 1.543 -1.968) 2.547 3.634 ( -1.044 -0.054 2.128) 2.371 4.243 ( 0.557 0.390 -0.143) 0.695 4.262 ( 1.259 0.337 0.352) 1.350 4.501 ( -1.828 0.362 -0.404) 1.907 4.560 ( -0.318 -1.020 -0.000) 1.068 4.745 ( 1.486 -0.242 -1.604) 2.200 4.767 ( 2.390 -2.006 0.066) 3.121 4.865 ( 3.857 1.724 0.900) 4.320 4.903 ( 2.429 0.854 2.892) 3.872 5.001 ( 0.389 -1.240 -1.068) 1.682 5.068 ( -0.392 -1.260 1.124) 1.733 5.160 ( -0.139 0.594 -0.765) 0.979 5.202 ( 0.281 0.393 0.731) 0.877 5.705 ( -4.028 0.831 1.914) 4.537 5.775 ( -4.182 0.285 -2.415) 4.837 5.915 ( 1.682 3.488 1.978) 4.348 6.049 ( 1.963 -0.114 -0.508) 2.031 6.319 ( -0.947 1.439 -0.904) 1.946 6.378 ( 0.373 -0.385 -0.764) 0.933 6.443 ( 0.154 0.298 -0.132) 0.361 6.462 ( -0.025 -0.352 -0.758) 0.836 6.992 ( -0.647 -0.067 -0.896) 1.107 6.995 ( -0.647 0.102 -1.253) 1.414 7.051 ( -1.555 0.917 -0.842) 1.992 7.096 ( -2.105 -0.243 1.751) 2.749 10.084 ( -1.029 -0.697 -0.448) 1.321 10.086 ( -1.350 -0.655 -0.467) 1.572 10.157 ( -0.331 1.307 -0.581) 1.468 10.180 ( -0.208 1.647 0.442) 1.718 10.533 ( -1.593 -0.697 -1.525) 2.313 10.541 ( -1.729 -1.053 -1.222) 2.364 10.705 ( 0.502 4.152 0.398) 4.201 10.831 ( 0.835 0.016 2.705) 2.831 10.957 ( -1.131 -0.456 2.001) 2.343 10.972 ( -0.097 -0.321 1.042) 1.094 11.006 ( 0.161 -0.031 0.451) 0.479 11.043 ( 1.726 0.119 -0.827) 1.917 11.089 ( 0.755 -0.483 -0.326) 0.954 11.186 ( 1.372 1.806 1.807) 2.900 11.346 ( -0.849 -0.632 -2.732) 2.930 11.383 ( -1.920 -1.364 -1.743) 2.930 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 7.640 5.891 -6.784) 11.794 0.746 ( 6.973 5.790 -4.412) 10.080 0.930 ( -1.257 -3.131 -1.034) 3.529 0.970 ( 1.297 1.014 -0.473) 1.713 1.018 ( 2.981 1.427 0.830) 3.407 1.062 ( 0.501 1.305 -1.391) 1.972 1.074 ( 1.684 -0.528 -0.023) 1.765 1.152 ( -1.190 1.397 0.372) 1.872 1.211 ( 0.403 3.703 -0.742) 3.798 1.242 ( 1.400 -5.461 -2.483) 6.160 1.316 ( 0.055 -0.131 1.355) 1.363 1.345 ( 1.221 -1.226 -2.831) 3.318 1.369 ( 3.191 -0.173 -1.263) 3.436 1.372 ( 0.878 2.173 -0.524) 2.402 1.419 ( -0.042 -1.669 -2.657) 3.138 1.462 ( -0.136 1.807 1.400) 2.289 1.527 ( -2.387 2.156 -0.390) 3.240 1.542 ( -1.424 -2.371 0.428) 2.798 1.553 ( 3.404 0.912 -0.347) 3.541 1.662 ( 2.139 2.738 0.767) 3.558 1.667 ( 2.497 2.958 -2.416) 4.562 1.714 ( 0.231 -4.090 4.406) 6.016 1.734 ( 8.002 -0.508 -1.251) 8.115 1.773 ( 0.746 -0.558 -0.566) 1.090 1.789 ( -1.401 -0.144 -1.363) 1.960 1.844 ( 2.147 0.102 -1.288) 2.505 1.890 ( 0.304 1.726 1.634) 2.397 1.894 ( 1.212 1.441 1.250) 2.260 1.979 ( -5.076 -0.544 1.336) 5.277 2.003 ( 0.097 -0.530 0.487) 0.726 2.060 ( -0.321 0.936 -1.645) 1.919 2.093 ( 0.128 2.387 1.221) 2.685 2.123 ( -0.488 0.705 -1.468) 1.700 2.149 ( -2.668 -2.609 -0.680) 3.793 2.248 ( -2.273 2.468 -2.877) 4.420 2.301 ( -3.373 -1.132 -2.724) 4.481 2.448 ( -1.043 2.817 0.909) 3.138 2.483 ( -1.620 0.460 -2.305) 2.854 2.498 ( 0.182 -0.279 2.200) 2.226 2.531 ( -2.247 -0.177 -2.511) 3.374 2.598 ( -1.080 0.422 -0.221) 1.181 2.638 ( -3.470 3.503 0.490) 4.955 2.671 ( -0.177 -1.725 0.394) 1.779 2.710 ( 1.778 -3.446 -2.352) 4.535 2.810 ( -1.041 2.529 0.455) 2.773 2.855 ( -2.094 -3.287 2.484) 4.622 2.875 ( 0.884 -2.779 3.158) 4.299 2.888 ( -1.047 -0.933 0.451) 1.473 2.962 ( 1.442 -0.121 3.462) 3.752 3.003 ( -1.902 1.600 0.939) 2.657 3.052 ( -0.285 -3.520 0.656) 3.592 3.095 ( 0.504 -1.510 0.438) 1.651 3.306 ( 0.611 -1.110 1.974) 2.346 3.339 ( -0.326 -2.337 0.164) 2.365 3.557 ( 1.696 1.134 -0.172) 2.047 3.625 ( -2.116 -0.369 0.634) 2.239 4.263 ( 1.186 -0.270 0.835) 1.475 4.287 ( 1.231 -0.103 0.386) 1.295 4.484 ( -0.505 0.560 0.663) 1.004 4.549 ( -0.515 -1.173 -0.851) 1.538 4.761 ( 2.307 -0.169 -0.493) 2.366 4.805 ( 1.089 -2.749 1.194) 3.189 4.902 ( 0.291 1.895 0.164) 1.924 4.969 ( 2.075 0.012 1.033) 2.318 5.003 ( 0.548 1.160 0.264) 1.310 5.073 ( 0.246 -0.654 0.699) 0.989 5.145 ( -1.145 0.982 -0.257) 1.530 5.204 ( -0.288 0.343 -0.596) 0.745 5.660 ( -3.801 0.650 1.178) 4.032 5.699 ( -1.538 0.165 -2.797) 3.196 5.952 ( 0.128 2.404 2.369) 3.377 6.056 ( 0.771 -0.384 -1.902) 2.088 6.324 ( 0.928 1.079 1.209) 1.867 6.375 ( 0.445 -0.368 -0.838) 1.018 6.443 ( 0.182 0.528 -0.015) 0.559 6.461 ( 0.484 -0.207 -0.236) 0.577 6.975 ( 0.480 0.395 -0.975) 1.156 6.984 ( -0.228 0.454 -0.221) 0.554 7.024 ( -0.492 0.865 -0.624) 1.174 7.074 ( -2.575 -0.433 0.617) 2.683 10.066 ( -0.679 -0.938 -0.243) 1.183 10.070 ( -0.163 -1.034 -0.504) 1.162 10.151 ( 0.150 1.493 0.008) 1.500 10.177 ( -0.734 1.822 0.294) 1.986 10.506 ( 0.169 -0.689 0.133) 0.722 10.552 ( 0.937 -2.521 1.615) 3.137 10.710 ( 0.095 5.099 0.835) 5.168 10.854 ( -0.723 0.020 0.962) 1.204 10.961 ( -0.782 -0.256 1.242) 1.490 10.984 ( -0.032 0.036 0.898) 0.900 11.026 ( 0.407 -0.371 1.991) 2.065 11.056 ( 1.712 1.479 -1.831) 2.911 11.085 ( -0.831 -1.197 0.179) 1.468 11.212 ( -0.638 0.978 1.621) 1.997 11.309 ( 0.179 -0.967 -3.236) 3.382 11.320 ( -1.347 -1.023 -3.742) 4.107 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 9.627 4.143 2.292) 10.728 0.823 ( -1.120 1.086 0.743) 1.728 0.857 ( 1.233 0.289 -3.917) 4.117 0.888 ( -6.519 0.770 -6.389) 9.160 1.042 ( 1.291 -1.395 1.292) 2.298 1.070 ( -0.121 -0.393 -0.762) 0.865 1.119 ( 1.841 1.048 0.985) 2.336 1.137 ( 0.037 0.693 -0.759) 1.029 1.180 ( -0.638 0.697 0.376) 1.017 1.237 ( -0.203 -1.052 -3.498) 3.658 1.304 ( -2.090 -1.403 -0.584) 2.584 1.320 ( 0.658 1.224 -3.079) 3.378 1.346 ( -0.479 -0.332 0.385) 0.699 1.392 ( 2.347 0.167 -3.165) 3.944 1.427 ( 1.845 1.391 1.733) 2.888 1.467 ( -0.784 1.570 -1.415) 2.254 1.521 ( -0.097 -0.668 1.852) 1.971 1.541 ( -0.678 -1.082 0.653) 1.434 1.607 ( 1.894 0.313 1.433) 2.396 1.667 ( -0.366 -0.032 -2.471) 2.498 1.686 ( 0.272 2.430 1.187) 2.718 1.709 ( -2.685 1.228 -0.946) 3.101 1.768 ( -0.466 -2.784 2.693) 3.901 1.781 ( 0.038 -0.514 0.823) 0.971 1.802 ( -3.020 0.704 1.644) 3.509 1.839 ( -0.419 -0.887 -1.611) 1.886 1.925 ( -1.819 -0.515 0.825) 2.063 1.945 ( 3.692 2.227 -0.330) 4.324 1.953 ( 2.964 -3.075 0.612) 4.314 2.003 ( 2.071 -0.984 -2.036) 3.067 2.053 ( -1.357 2.781 0.184) 3.100 2.075 ( -1.786 1.129 -1.440) 2.557 2.121 ( 0.314 2.232 2.334) 3.245 2.149 ( 3.064 -0.392 -0.349) 3.108 2.179 ( -1.145 1.363 0.260) 1.799 2.209 ( -2.249 1.379 -3.138) 4.100 2.390 ( -1.012 -0.804 -2.236) 2.583 2.411 ( -2.001 -0.641 -3.391) 3.989 2.516 ( -0.807 3.903 2.108) 4.509 2.544 ( 2.056 0.488 0.866) 2.284 2.589 ( 0.616 3.418 -0.401) 3.496 2.605 ( -0.714 3.852 -1.132) 4.078 2.684 ( -0.261 -3.103 1.197) 3.336 2.706 ( -0.005 -4.837 -1.280) 5.004 2.807 ( 0.310 1.218 1.680) 2.098 2.828 ( -0.963 -0.019 -0.423) 1.052 2.894 ( -1.610 -0.915 2.452) 3.072 2.935 ( 2.533 0.362 -0.952) 2.730 2.986 ( 0.049 -1.886 3.542) 4.013 3.035 ( 0.955 -2.774 0.880) 3.063 3.048 ( -0.102 -1.219 1.212) 1.722 3.084 ( -1.268 -0.754 -1.375) 2.017 3.329 ( -0.164 -1.634 1.318) 2.106 3.338 ( -0.261 -1.897 0.232) 1.929 3.588 ( 1.069 0.129 0.492) 1.184 3.595 ( -1.106 0.218 -0.193) 1.143 4.286 ( 0.006 -0.839 0.991) 1.299 4.299 ( 0.134 -0.899 -0.238) 0.940 4.500 ( 0.860 0.155 1.297) 1.564 4.527 ( -0.544 -0.622 -1.421) 1.644 4.799 ( 1.975 -0.723 0.560) 2.176 4.811 ( -1.251 -1.363 -0.387) 1.890 4.908 ( -0.052 0.685 1.969) 2.086 4.959 ( -0.497 -0.956 -2.715) 2.921 5.029 ( -2.073 2.352 3.532) 4.723 5.085 ( 0.816 1.929 -1.050) 2.343 5.131 ( -1.106 0.602 1.842) 2.231 5.190 ( 1.739 0.078 -2.843) 3.333 5.630 ( -1.921 0.834 1.581) 2.624 5.669 ( 1.502 -0.111 -2.335) 2.779 5.980 ( -0.262 1.151 2.773) 3.014 6.035 ( 0.161 -0.226 -2.692) 2.706 6.350 ( 0.155 0.172 1.258) 1.279 6.371 ( 0.259 -0.385 -0.913) 1.025 6.450 ( 0.162 0.607 0.575) 0.852 6.464 ( 0.389 0.162 -0.648) 0.773 6.974 ( -0.707 0.658 0.231) 0.993 6.984 ( 1.094 0.799 -0.649) 1.502 7.032 ( 1.525 0.105 0.122) 1.533 7.037 ( -1.721 -0.099 -0.344) 1.758 10.059 ( -0.134 -1.049 0.041) 1.059 10.065 ( 0.266 -1.065 -0.513) 1.212 10.161 ( 0.310 1.643 0.489) 1.742 10.167 ( -0.362 1.669 -0.143) 1.714 10.532 ( 1.225 -0.796 1.623) 2.184 10.563 ( -0.368 -2.001 -1.157) 2.340 10.756 ( 2.272 3.249 4.060) 5.675 10.826 ( -1.985 0.852 -2.239) 3.111 10.965 ( -0.604 0.474 1.494) 1.680 10.988 ( -0.040 0.338 -0.210) 0.400 11.039 ( -0.389 -0.122 -0.130) 0.428 11.056 ( 1.055 1.041 -1.831) 2.356 11.101 ( -0.444 -1.285 5.251) 5.424 11.189 ( -2.313 -1.077 -1.842) 3.147 11.275 ( 1.328 -0.249 -2.246) 2.621 11.290 ( 0.724 -0.225 -2.462) 2.576 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -11.327 5.994 -5.594) 13.983 0.700 ( -10.027 1.678 -0.280) 10.171 0.924 ( 3.662 -1.761 -0.275) 4.073 0.935 ( 4.128 3.035 2.308) 5.619 1.027 ( -2.676 -0.120 -1.803) 3.229 1.059 ( -0.742 -0.969 0.375) 1.276 1.127 ( 0.001 2.782 -4.018) 4.887 1.150 ( 1.909 0.189 0.407) 1.961 1.188 ( -1.130 3.253 -0.201) 3.450 1.212 ( -0.429 -3.211 1.078) 3.414 1.280 ( 0.177 -1.383 2.712) 3.049 1.314 ( -0.180 0.307 0.715) 0.799 1.344 ( -1.003 0.869 0.524) 1.427 1.398 ( -3.509 1.380 -1.290) 3.985 1.409 ( 3.758 -2.294 -2.906) 5.275 1.482 ( 2.546 1.274 0.497) 2.890 1.498 ( -3.590 1.637 0.713) 4.010 1.553 ( 0.582 -1.317 0.255) 1.462 1.596 ( -2.732 -0.162 -2.206) 3.516 1.619 ( -4.364 2.729 0.273) 5.154 1.669 ( -3.248 1.622 0.550) 3.672 1.688 ( -6.052 1.115 2.245) 6.551 1.740 ( 0.686 0.384 2.819) 2.926 1.767 ( -1.956 0.178 0.931) 2.173 1.794 ( -2.608 -2.263 -0.502) 3.489 1.811 ( 0.659 -2.291 -0.217) 2.394 1.891 ( -1.470 -0.540 0.127) 1.571 1.938 ( -1.271 2.764 -2.253) 3.785 2.002 ( 2.154 -1.715 0.632) 2.825 2.028 ( -0.720 -1.401 -1.202) 1.982 2.039 ( 4.508 -0.169 -1.906) 4.897 2.078 ( 0.191 2.338 2.170) 3.195 2.141 ( -0.272 0.865 -2.035) 2.227 2.167 ( 3.549 -0.409 -2.061) 4.124 2.203 ( 1.452 1.610 1.850) 2.850 2.255 ( 5.580 -2.774 1.776) 6.479 2.391 ( 1.654 -1.062 3.006) 3.591 2.427 ( 3.477 0.595 2.904) 4.570 2.517 ( -1.078 2.896 -0.869) 3.210 2.570 ( 1.950 3.607 -1.844) 4.496 2.584 ( 0.090 1.744 -0.508) 1.818 2.611 ( 1.623 -0.807 2.331) 2.953 2.679 ( -0.616 -1.729 0.061) 1.836 2.697 ( 0.096 -0.596 -0.632) 0.874 2.817 ( -0.625 3.250 0.198) 3.316 2.861 ( 3.065 -1.303 0.598) 3.384 2.881 ( 0.484 -2.166 0.412) 2.257 2.979 ( 2.605 -1.830 -3.368) 4.635 2.999 ( -0.839 -2.425 -1.624) 3.036 3.018 ( -0.997 -2.050 1.546) 2.754 3.042 ( -1.234 1.489 -0.375) 1.970 3.086 ( 0.448 -1.743 1.538) 2.367 3.330 ( -0.594 -1.419 -0.101) 1.542 3.336 ( -0.332 -1.855 0.506) 1.952 3.559 ( -2.060 1.089 -0.255) 2.344 3.627 ( 2.316 -0.658 0.233) 2.419 4.277 ( -1.400 -0.726 -0.208) 1.591 4.292 ( -0.927 -1.103 -0.182) 1.452 4.505 ( -0.014 0.132 -1.376) 1.382 4.530 ( 1.223 -0.691 0.970) 1.707 4.764 ( -2.934 0.138 -0.750) 3.032 4.824 ( 0.178 -2.740 -0.297) 2.762 4.918 ( -0.982 -0.111 -1.818) 2.069 4.943 ( 0.220 -0.304 2.623) 2.649 5.000 ( -4.565 1.154 2.013) 5.120 5.082 ( -0.498 1.485 -0.354) 1.606 5.136 ( -0.242 0.723 0.849) 1.142 5.211 ( 3.857 1.468 -1.681) 4.457 5.645 ( 1.166 1.401 2.460) 3.062 5.687 ( 3.595 0.030 -1.652) 3.957 5.996 ( -1.010 0.640 -0.528) 1.308 6.014 ( 0.220 0.993 0.733) 1.254 6.357 ( -0.430 -0.376 -1.611) 1.710 6.359 ( -0.363 -0.230 0.759) 0.873 6.452 ( -0.382 0.509 -0.760) 0.992 6.457 ( -0.147 0.362 -0.097) 0.403 6.962 ( -1.050 0.485 0.192) 1.173 6.987 ( 0.062 0.149 -0.634) 0.654 7.017 ( 0.392 1.443 0.111) 1.499 7.079 ( 3.321 -0.176 0.128) 3.328 10.062 ( 0.261 -0.947 0.229) 1.008 10.067 ( 0.705 -0.827 -0.337) 1.137 10.154 ( -0.561 1.445 -0.136) 1.556 10.179 ( 0.847 1.772 0.140) 1.969 10.525 ( -1.191 -0.900 -1.510) 2.123 10.567 ( 0.745 -1.859 0.141) 2.008 10.758 ( -1.428 3.737 -3.709) 5.455 10.839 ( 2.298 0.665 2.704) 3.611 10.976 ( -0.598 1.147 1.594) 2.053 10.983 ( 0.346 0.239 -0.545) 0.689 11.029 ( -0.893 0.121 0.264) 0.939 11.051 ( 0.489 0.228 -1.045) 1.176 11.127 ( -1.312 -1.235 -3.033) 3.528 11.176 ( 0.492 -2.151 7.320) 7.645 11.273 ( 1.000 0.560 -2.937) 3.153 11.288 ( 1.671 0.029 -0.111) 1.675 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -8.194 8.070 4.870) 12.489 0.581 ( -7.705 7.549 7.269) 13.008 0.916 ( -4.067 1.635 -2.353) 4.975 0.955 ( -0.439 0.375 1.799) 1.890 0.965 ( -5.932 4.267 -1.943) 7.561 1.040 ( -3.344 2.921 -1.577) 4.712 1.043 ( -1.269 -0.148 0.767) 1.490 1.160 ( -2.180 -0.032 -0.420) 2.221 1.194 ( 1.120 2.808 0.622) 3.087 1.219 ( 0.355 -3.043 3.101) 4.359 1.295 ( -1.817 1.820 -0.712) 2.669 1.305 ( -2.818 -1.824 -0.537) 3.400 1.320 ( -0.488 0.742 0.715) 1.140 1.360 ( -1.720 -0.918 -1.336) 2.363 1.444 ( -0.256 -1.229 0.266) 1.283 1.465 ( 2.479 1.130 1.655) 3.188 1.510 ( -1.724 0.145 -2.862) 3.344 1.547 ( -1.780 -1.211 2.776) 3.513 1.561 ( 1.843 1.987 1.103) 2.926 1.589 ( 0.202 -0.305 1.493) 1.537 1.628 ( -2.026 2.752 -0.654) 3.479 1.646 ( -1.544 1.798 1.261) 2.685 1.701 ( -4.226 -3.534 -0.833) 5.572 1.759 ( -0.433 -1.825 -1.255) 2.257 1.791 ( 0.214 0.301 0.148) 0.398 1.848 ( 2.635 -0.444 2.545) 3.690 1.875 ( -1.172 1.706 -1.517) 2.566 1.919 ( 1.375 4.838 -0.700) 5.079 1.994 ( -0.687 -2.182 -1.148) 2.559 2.041 ( -1.144 -1.863 1.784) 2.822 2.057 ( 2.270 0.429 0.633) 2.395 2.097 ( -0.511 1.148 -1.690) 2.106 2.148 ( 3.293 1.230 0.812) 3.608 2.198 ( 2.904 -2.825 -1.739) 4.409 2.224 ( -0.895 1.194 2.393) 2.820 2.343 ( 2.956 -6.542 0.877) 7.232 2.451 ( -1.840 -0.284 -1.539) 2.415 2.494 ( 2.351 0.627 2.536) 3.515 2.524 ( 2.557 1.106 0.376) 2.812 2.555 ( 1.384 1.877 0.497) 2.384 2.612 ( 0.956 -2.407 0.225) 2.599 2.653 ( -1.103 -1.686 1.615) 2.582 2.677 ( -0.070 1.591 0.589) 1.698 2.724 ( 4.969 1.745 -0.996) 5.360 2.797 ( -1.226 1.416 0.634) 1.978 2.874 ( -2.312 -4.025 -2.146) 5.113 2.909 ( 2.117 -2.703 -2.371) 4.172 2.940 ( 3.977 -0.958 -0.328) 4.104 2.970 ( -0.627 0.005 -3.253) 3.313 3.031 ( -1.386 0.654 1.406) 2.079 3.051 ( 2.092 0.294 -1.030) 2.350 3.083 ( -1.809 -3.241 -0.161) 3.715 3.318 ( 0.474 -0.686 -1.596) 1.800 3.345 ( 0.672 -1.852 0.605) 2.061 3.527 ( -1.893 2.244 0.278) 2.949 3.662 ( 1.994 -1.308 -0.465) 2.429 4.248 ( -1.389 -0.337 -0.643) 1.567 4.268 ( -1.482 -0.196 -0.186) 1.507 4.502 ( 1.095 0.466 -0.460) 1.276 4.556 ( 1.129 -1.139 0.346) 1.641 4.720 ( -2.264 0.431 0.629) 2.389 4.790 ( -2.809 -4.049 -1.937) 5.295 4.878 ( -3.158 0.956 -0.443) 3.329 4.944 ( -2.014 -0.120 -0.620) 2.111 4.969 ( -2.130 -0.324 2.166) 3.055 5.077 ( 0.254 -1.553 0.290) 1.600 5.142 ( -0.112 1.930 0.500) 1.997 5.239 ( 2.084 1.095 -2.309) 3.298 5.724 ( 4.831 2.174 1.953) 5.646 5.737 ( 4.913 0.135 -0.667) 4.960 5.961 ( -1.207 2.977 -2.118) 3.848 6.032 ( -0.304 1.257 1.371) 1.885 6.318 ( -1.353 0.898 -1.499) 2.210 6.362 ( -0.350 -0.400 0.789) 0.952 6.440 ( -0.247 0.528 0.004) 0.583 6.453 ( -0.292 -0.240 0.126) 0.399 6.957 ( -0.367 0.373 1.485) 1.574 6.986 ( 0.209 -0.327 0.289) 0.484 7.039 ( 1.943 2.664 0.302) 3.311 7.123 ( 2.868 -0.369 -0.902) 3.029 10.074 ( 0.919 -0.527 0.467) 1.158 10.081 ( 1.325 -0.509 0.018) 1.419 10.147 ( -0.282 1.288 0.253) 1.343 10.188 ( 0.285 1.665 -0.215) 1.703 10.507 ( 0.322 -0.592 0.208) 0.706 10.553 ( -0.659 -1.830 -1.520) 2.468 10.720 ( 0.245 5.922 -1.669) 6.158 10.870 ( 0.448 -0.142 -0.790) 0.920 10.974 ( -0.523 0.846 0.147) 1.005 10.992 ( 0.789 0.142 -0.029) 0.802 11.021 ( -0.939 0.562 0.703) 1.301 11.034 ( -0.565 -0.284 -2.000) 2.097 11.096 ( -0.086 -1.929 -1.067) 2.206 11.232 ( -0.644 -0.363 -2.361) 2.474 11.279 ( 0.900 -0.588 4.695) 4.816 11.330 ( 3.109 0.336 2.132) 3.785 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.723 4.083 11.806) 13.355 0.621 ( -7.759 5.610 11.561) 15.011 0.826 ( -1.703 3.001 -6.959) 7.767 0.907 ( 0.886 6.820 6.730) 9.623 0.957 ( -2.936 3.109 -1.760) 4.625 0.988 ( -0.745 1.523 4.375) 4.692 1.044 ( -0.234 0.223 1.459) 1.494 1.146 ( -0.439 -1.759 2.090) 2.767 1.207 ( -0.824 1.889 -1.002) 2.292 1.223 ( -2.652 0.219 0.779) 2.773 1.246 ( -1.177 0.901 -0.775) 1.672 1.275 ( -0.572 1.132 0.187) 1.282 1.321 ( 0.421 0.260 -1.269) 1.361 1.348 ( 1.456 0.008 1.173) 1.870 1.436 ( -3.096 -1.610 1.213) 3.694 1.465 ( 1.136 -3.577 -0.711) 3.820 1.505 ( -1.380 1.235 0.123) 1.855 1.537 ( -0.720 -1.471 0.064) 1.639 1.545 ( -3.481 -1.195 -2.723) 4.578 1.597 ( 1.356 2.360 0.167) 2.727 1.648 ( 1.247 2.315 0.976) 2.805 1.651 ( 2.521 1.825 0.958) 3.256 1.705 ( 0.597 1.797 1.082) 2.180 1.727 ( -1.026 -2.797 0.413) 3.008 1.777 ( 0.202 2.034 -1.779) 2.710 1.832 ( -2.302 1.113 -1.023) 2.754 1.886 ( -0.566 1.874 -1.375) 2.392 1.941 ( 1.986 0.203 1.002) 2.234 1.968 ( -0.764 -1.394 -1.870) 2.454 2.032 ( -1.289 -2.442 0.717) 2.853 2.083 ( -0.724 1.472 -0.509) 1.718 2.131 ( 2.280 -0.904 2.900) 3.798 2.161 ( -2.283 3.087 -0.984) 3.963 2.193 ( 1.797 0.157 -1.573) 2.394 2.281 ( 3.281 0.801 2.492) 4.197 2.367 ( 0.679 -4.865 -1.159) 5.047 2.387 ( -2.782 -4.070 0.366) 4.943 2.484 ( 0.026 3.103 -2.649) 4.080 2.544 ( -3.702 -3.743 -2.593) 5.868 2.578 ( 3.616 -0.650 -2.700) 4.560 2.633 ( -1.601 -0.843 3.739) 4.154 2.651 ( -0.189 -1.670 2.765) 3.235 2.668 ( -1.174 2.952 0.838) 3.285 2.752 ( 0.794 -3.307 -1.502) 3.718 2.828 ( 3.364 1.488 0.942) 3.797 2.869 ( 1.414 -2.057 0.313) 2.516 2.906 ( 0.259 -0.076 -3.997) 4.006 2.927 ( 2.031 -2.210 -1.348) 3.290 2.993 ( -2.875 -2.381 -1.835) 4.159 3.014 ( 0.801 -0.724 -0.186) 1.096 3.028 ( -0.034 -0.873 0.357) 0.944 3.068 ( 0.159 -1.274 -0.539) 1.392 3.309 ( 1.110 0.294 -2.122) 2.413 3.352 ( -0.147 -0.241 -1.371) 1.400 3.523 ( -0.343 2.615 2.723) 3.791 3.663 ( 0.268 -0.948 -2.247) 2.453 4.237 ( 0.089 0.102 0.456) 0.476 4.251 ( -0.385 0.034 -0.176) 0.425 4.524 ( 1.344 0.216 0.509) 1.453 4.569 ( 0.482 -1.050 -0.417) 1.228 4.710 ( -2.137 0.106 0.865) 2.308 4.721 ( -2.294 -0.762 1.554) 2.874 4.816 ( -3.227 0.837 -1.311) 3.582 4.887 ( -2.539 0.050 -2.497) 3.561 4.977 ( -0.460 -2.055 2.544) 3.302 5.079 ( -0.482 -2.215 -0.352) 2.293 5.147 ( 0.058 1.901 0.577) 1.987 5.223 ( 0.458 0.301 -2.839) 2.891 5.779 ( 3.496 0.651 -1.681) 3.933 5.837 ( 5.760 1.350 1.339) 6.065 5.893 ( -3.814 4.622 -3.087) 6.741 6.016 ( -2.456 1.132 -0.603) 2.771 6.336 ( 2.647 0.350 1.731) 3.183 6.367 ( -0.114 -0.412 0.811) 0.916 6.440 ( 0.061 0.456 0.275) 0.536 6.458 ( 0.233 -0.127 0.621) 0.676 6.986 ( 0.581 -0.804 2.199) 2.412 7.001 ( 0.960 -0.616 1.041) 1.544 7.073 ( 1.657 2.063 -0.162) 2.651 7.143 ( 1.863 0.038 -1.990) 2.726 10.102 ( 1.787 -0.092 0.587) 1.883 10.106 ( 1.601 -0.226 0.314) 1.647 10.150 ( -0.425 0.906 0.972) 1.396 10.182 ( -0.372 1.155 -0.455) 1.296 10.542 ( 1.414 -0.127 2.157) 2.583 10.565 ( 3.232 -0.611 2.198) 3.956 10.705 ( -0.182 5.079 -1.831) 5.402 10.840 ( -1.296 -0.172 -3.416) 3.658 10.965 ( -1.005 0.560 0.445) 1.234 10.999 ( -0.195 -0.424 -2.180) 2.229 11.008 ( 1.432 0.006 -0.228) 1.450 11.022 ( 0.063 0.118 0.547) 0.563 11.071 ( -1.950 -1.381 -0.657) 2.478 11.170 ( -3.077 1.120 -2.327) 4.017 11.340 ( 1.474 -0.228 2.956) 3.311 11.408 ( 2.973 -1.080 1.048) 3.332 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.267 6.944 6.423) 9.543 0.750 ( 3.545 -0.566 0.980) 3.721 0.825 ( -1.227 5.941 0.500) 6.087 0.884 ( -1.966 -1.131 -2.421) 3.317 0.957 ( 2.615 -0.326 4.116) 4.888 1.022 ( 0.786 -4.274 2.285) 4.910 1.121 ( 1.053 0.981 -1.673) 2.207 1.146 ( -1.610 0.968 -0.680) 1.998 1.178 ( -0.435 0.337 -1.738) 1.823 1.208 ( -0.325 -3.568 -5.178) 6.296 1.251 ( -1.336 0.292 -0.777) 1.573 1.255 ( 0.496 -0.066 -0.408) 0.645 1.325 ( -0.196 0.904 1.473) 1.739 1.350 ( 1.284 -1.030 -0.594) 1.750 1.439 ( 0.266 -0.882 0.953) 1.325 1.457 ( 1.363 -1.464 -0.746) 2.134 1.480 ( -0.743 1.162 -0.792) 1.591 1.491 ( -0.733 0.251 -1.546) 1.729 1.648 ( 1.293 5.067 4.105) 6.648 1.680 ( 0.087 0.839 3.705) 3.800 1.683 ( 0.254 2.741 1.441) 3.107 1.704 ( 1.996 1.617 4.468) 5.154 1.754 ( 0.383 0.946 1.427) 1.754 1.777 ( -3.327 1.118 0.862) 3.614 1.810 ( 2.407 0.676 1.242) 2.792 1.813 ( 1.342 0.942 -0.739) 1.798 1.851 ( -2.160 2.486 -4.200) 5.337 1.896 ( -2.553 -1.264 -4.228) 5.098 1.948 ( 2.074 -1.070 1.382) 2.713 1.961 ( -1.146 -2.285 -0.337) 2.578 2.138 ( -0.015 6.827 1.028) 6.904 2.164 ( -0.456 1.919 -1.452) 2.450 2.177 ( 1.347 -1.686 1.835) 2.833 2.220 ( -0.760 2.459 -1.608) 3.035 2.286 ( -0.650 -5.474 4.130) 6.888 2.326 ( 1.139 -3.105 0.189) 3.313 2.380 ( 2.146 0.686 1.666) 2.802 2.401 ( -1.451 -2.422 0.361) 2.846 2.475 ( -1.536 -0.667 -0.937) 1.919 2.511 ( -0.702 -4.377 -3.455) 5.621 2.634 ( 0.183 1.179 -0.720) 1.393 2.660 ( -0.282 -0.611 -2.443) 2.534 2.710 ( -1.548 2.327 2.261) 3.595 2.736 ( 1.770 0.566 -0.142) 1.863 2.797 ( -1.202 -1.622 -1.007) 2.256 2.814 ( -0.408 -2.284 -2.227) 3.217 2.871 ( -0.694 -1.690 0.250) 1.844 2.879 ( 0.956 -2.639 -0.553) 2.860 2.944 ( 0.279 0.409 -0.095) 0.504 2.963 ( -0.003 -1.257 -1.919) 2.295 3.045 ( -0.166 -0.399 0.017) 0.433 3.047 ( 0.443 -0.664 -0.136) 0.810 3.333 ( -0.504 1.498 0.110) 1.585 3.342 ( -0.248 0.582 -0.849) 1.059 3.599 ( 0.359 1.689 1.352) 2.194 3.624 ( -0.072 -0.895 -1.104) 1.423 4.244 ( -0.117 0.141 0.421) 0.459 4.247 ( 0.024 -0.121 0.169) 0.209 4.538 ( 0.167 -0.078 0.188) 0.264 4.544 ( -0.110 -0.778 -0.439) 0.900 4.732 ( 1.072 1.239 1.780) 2.419 4.750 ( 0.582 -0.590 0.954) 1.263 4.791 ( -0.572 1.780 -0.093) 1.872 4.818 ( -1.025 -0.934 -1.794) 2.267 4.986 ( -0.092 0.092 1.755) 1.760 5.009 ( -1.128 -2.143 -0.274) 2.437 5.179 ( 0.436 0.977 -0.742) 1.302 5.194 ( 0.449 -0.589 -2.007) 2.139 5.836 ( 0.950 1.166 0.140) 1.511 5.844 ( -1.050 0.438 -0.549) 1.264 5.960 ( 1.719 1.449 -0.398) 2.283 5.971 ( -2.288 0.385 -1.314) 2.666 6.361 ( -0.031 -0.053 0.627) 0.630 6.365 ( 0.304 -0.483 0.300) 0.645 6.463 ( 0.264 0.255 0.417) 0.556 6.466 ( 0.416 -0.133 0.080) 0.444 6.999 ( -0.184 0.045 1.414) 1.427 7.007 ( 0.236 -0.747 0.859) 1.163 7.109 ( 0.060 1.246 -0.602) 1.385 7.127 ( 0.039 -0.672 -2.132) 2.235 10.126 ( 0.124 0.136 0.183) 0.259 10.128 ( 0.341 -0.079 -0.040) 0.352 10.168 ( -0.356 0.704 0.928) 1.218 10.177 ( -0.055 -0.240 -0.009) 0.246 10.620 ( 2.109 1.244 4.067) 4.748 10.640 ( 2.088 -0.846 3.681) 4.316 10.722 ( -0.582 1.762 -4.263) 4.649 10.746 ( -2.467 -0.818 -4.941) 5.583 10.959 ( -1.044 0.346 0.033) 1.101 10.969 ( -0.387 -0.629 -0.942) 1.197 11.017 ( -0.129 0.198 0.417) 0.479 11.020 ( 0.055 -0.061 -0.019) 0.084 11.083 ( 0.960 0.935 0.666) 1.496 11.101 ( -1.150 -0.753 -1.039) 1.723 11.393 ( 0.610 0.582 1.026) 1.328 11.408 ( 0.348 -0.991 -0.513) 1.169 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 3.695 3.445 -4.503) 6.768 0.776 ( 5.074 1.271 -3.145) 6.103 0.871 ( 4.165 3.469 0.047) 5.421 0.923 ( 6.251 0.590 4.334) 7.629 0.976 ( -0.886 2.094 -6.532) 6.916 1.025 ( 0.514 -1.389 -0.013) 1.481 1.106 ( -0.720 -1.356 -1.050) 1.861 1.146 ( 0.328 -4.333 2.454) 4.990 1.194 ( 3.054 1.401 0.517) 3.399 1.216 ( 3.562 -0.934 1.622) 4.023 1.247 ( 0.650 2.040 0.539) 2.208 1.297 ( 0.869 -2.852 0.422) 3.011 1.313 ( 0.924 2.896 0.097) 3.042 1.350 ( 0.636 -0.923 -1.167) 1.618 1.413 ( -2.953 -0.431 -0.808) 3.092 1.444 ( -0.547 -3.984 -1.095) 4.167 1.487 ( 1.190 2.000 1.710) 2.887 1.513 ( 3.823 0.209 0.728) 3.897 1.629 ( -3.256 2.361 -1.561) 4.314 1.657 ( -4.213 1.919 -2.258) 5.151 1.698 ( 0.235 -0.988 -0.266) 1.050 1.706 ( -1.909 2.123 -2.505) 3.798 1.771 ( -1.065 0.977 0.471) 1.520 1.775 ( -0.145 2.694 1.477) 3.075 1.784 ( -1.262 0.980 -2.820) 3.241 1.824 ( 1.611 -1.454 0.798) 2.312 1.890 ( 4.625 3.729 2.540) 6.461 1.904 ( 1.894 1.032 1.010) 2.381 1.938 ( 1.380 1.505 0.263) 2.058 2.005 ( 3.184 -3.800 -0.525) 4.985 2.141 ( -0.649 5.908 0.062) 5.944 2.160 ( -0.374 0.777 0.315) 0.918 2.167 ( -2.020 2.059 -3.192) 4.302 2.215 ( 0.527 2.982 2.522) 3.941 2.294 ( -1.654 -2.751 -0.180) 3.215 2.333 ( 1.391 -6.349 -2.234) 6.873 2.366 ( -1.185 0.842 -1.437) 2.044 2.420 ( 1.378 -3.288 1.176) 3.754 2.487 ( 0.345 -0.977 0.150) 1.047 2.504 ( 2.203 -3.653 3.962) 5.822 2.610 ( -1.768 1.758 -0.087) 2.495 2.648 ( -1.092 -1.818 1.925) 2.864 2.716 ( -0.036 0.952 -0.309) 1.001 2.747 ( 0.296 -1.190 -1.219) 1.729 2.763 ( -0.704 1.326 1.501) 2.123 2.816 ( -0.673 -2.570 0.308) 2.675 2.859 ( -0.554 -0.182 0.173) 0.608 2.893 ( 0.610 -3.460 0.611) 3.566 2.940 ( -0.479 1.028 -0.515) 1.245 2.962 ( 1.079 -1.451 0.258) 1.827 3.028 ( -1.832 0.031 -0.173) 1.840 3.043 ( -0.553 -1.262 -0.120) 1.383 3.307 ( -2.590 1.851 0.699) 3.259 3.329 ( -1.516 -0.415 0.521) 1.656 3.604 ( -0.443 1.211 -0.904) 1.575 3.620 ( 0.151 -0.330 0.521) 0.635 4.247 ( 0.230 0.291 0.034) 0.372 4.251 ( 0.420 -0.052 -0.034) 0.424 4.534 ( -0.672 0.055 -0.386) 0.777 4.542 ( -0.045 -0.759 0.212) 0.789 4.735 ( 0.159 0.502 -1.198) 1.309 4.747 ( -0.290 -0.722 -0.815) 1.127 4.823 ( 3.574 1.752 0.609) 4.026 4.845 ( 3.610 -0.210 1.333) 3.854 4.993 ( -0.363 -0.125 -0.208) 0.436 5.013 ( 0.376 -1.883 1.839) 2.659 5.180 ( 0.285 0.505 -0.574) 0.815 5.187 ( 0.688 -0.282 -0.341) 0.817 5.787 ( -4.126 2.430 0.237) 4.794 5.829 ( -3.232 -1.996 -0.154) 3.802 5.955 ( 1.243 3.802 0.383) 4.019 6.002 ( 2.436 -1.201 0.697) 2.804 6.359 ( -0.401 0.403 -0.243) 0.618 6.369 ( 0.231 -0.628 -0.324) 0.743 6.458 ( -0.499 0.574 -0.426) 0.872 6.467 ( -0.119 -0.404 -0.562) 0.702 7.004 ( -0.429 0.161 0.097) 0.468 7.011 ( -0.024 -0.530 -0.623) 0.818 7.096 ( -1.524 0.554 -0.270) 1.644 7.103 ( -1.329 -0.197 0.638) 1.488 10.107 ( -1.967 0.003 -0.161) 1.973 10.109 ( -1.843 -0.194 -0.313) 1.880 10.181 ( 0.593 0.748 0.174) 0.970 10.188 ( 0.942 0.130 0.043) 0.952 10.593 ( -4.160 0.854 -2.331) 4.844 10.611 ( -4.484 -1.124 -3.211) 5.629 10.730 ( 2.739 2.456 1.878) 4.130 10.762 ( 3.116 -0.952 2.473) 4.091 10.951 ( -1.154 0.114 1.387) 1.808 10.958 ( -0.772 -0.610 0.733) 1.226 11.012 ( -0.643 0.149 -0.098) 0.668 11.017 ( 0.072 -0.369 0.054) 0.380 11.101 ( 2.108 1.899 -0.554) 2.890 11.133 ( 3.279 -1.094 0.922) 3.578 11.386 ( -1.457 0.175 -1.168) 1.876 11.396 ( -1.071 -0.775 -0.364) 1.371 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 6.035 4.573 -7.881) 10.929 0.819 ( 4.758 -4.182 -3.555) 7.263 0.903 ( 0.944 4.530 -6.194) 7.731 0.979 ( 4.708 4.498 2.573) 7.001 0.993 ( 1.539 -2.995 -2.738) 4.340 1.045 ( 2.551 -0.778 1.674) 3.149 1.117 ( 1.859 3.722 -0.120) 4.162 1.166 ( -0.601 0.613 -0.245) 0.893 1.224 ( 1.360 -1.761 -0.662) 2.322 1.242 ( -2.123 -1.389 -1.715) 3.062 1.279 ( 2.542 0.175 0.949) 2.719 1.283 ( -0.092 0.412 1.680) 1.732 1.349 ( 1.248 1.478 0.316) 1.960 1.369 ( 0.024 0.121 -0.180) 0.218 1.416 ( 5.465 -1.261 1.001) 5.697 1.445 ( 3.571 -4.276 -0.366) 5.583 1.493 ( -4.263 2.677 -0.874) 5.110 1.548 ( -4.170 -1.747 -0.079) 4.522 1.597 ( 4.201 0.585 0.055) 4.241 1.622 ( 2.187 0.492 -2.291) 3.205 1.657 ( -0.703 2.430 -0.965) 2.707 1.682 ( 2.082 -0.776 0.678) 2.323 1.753 ( 2.226 3.543 -2.726) 4.994 1.777 ( 1.686 1.469 -0.935) 2.423 1.797 ( -1.294 0.938 1.800) 2.407 1.835 ( -1.684 -2.447 0.390) 2.996 1.907 ( 0.782 5.317 -0.429) 5.391 1.971 ( -0.137 2.223 2.701) 3.501 1.979 ( 1.606 1.095 -1.008) 2.189 2.017 ( 2.086 -3.865 -1.966) 4.813 2.062 ( -5.137 -0.560 -2.266) 5.642 2.105 ( -1.711 -3.174 -1.749) 4.008 2.158 ( -1.093 3.606 -0.902) 3.874 2.214 ( -3.392 1.316 -0.350) 3.655 2.270 ( 2.576 -1.094 -2.669) 3.868 2.329 ( 1.390 -0.965 -3.358) 3.760 2.395 ( 4.183 -0.285 1.844) 4.580 2.462 ( 1.147 -5.500 0.250) 5.624 2.516 ( 0.248 3.071 3.861) 4.940 2.558 ( 0.635 1.823 2.414) 3.091 2.615 ( -0.473 -0.291 2.234) 2.302 2.673 ( -0.567 -1.863 3.337) 3.864 2.678 ( -1.022 2.422 -2.276) 3.477 2.747 ( 0.459 -0.683 -0.365) 0.900 2.768 ( -1.691 -2.657 1.097) 3.335 2.779 ( -3.099 -1.106 -0.671) 3.358 2.869 ( -0.265 -0.789 2.734) 2.857 2.899 ( -2.637 -1.661 1.025) 3.281 2.922 ( -0.892 1.620 -0.331) 1.879 2.978 ( -0.075 -3.108 0.572) 3.161 3.012 ( -0.243 0.820 1.874) 2.060 3.042 ( 0.067 -1.665 0.762) 1.832 3.286 ( -1.557 1.066 1.515) 2.420 3.311 ( -1.562 -1.513 0.779) 2.310 3.587 ( -0.120 2.149 -0.901) 2.334 3.621 ( -0.696 -1.369 0.411) 1.590 4.253 ( 0.792 0.594 -0.260) 1.024 4.262 ( 1.100 -0.296 -0.057) 1.141 4.514 ( -1.249 0.987 -0.270) 1.615 4.537 ( -0.655 -1.380 -0.230) 1.545 4.740 ( 1.439 -0.264 -0.738) 1.638 4.742 ( 1.470 -0.589 -0.782) 1.767 4.898 ( 4.373 1.668 0.746) 4.739 4.917 ( 3.330 -0.015 1.488) 3.648 4.995 ( 0.749 0.915 0.153) 1.192 5.031 ( -0.120 -2.394 0.928) 2.571 5.179 ( 0.088 1.222 -0.177) 1.238 5.198 ( 0.011 -0.755 0.913) 1.185 5.729 ( -4.143 1.640 0.605) 4.496 5.760 ( -4.324 -1.537 -0.771) 4.654 5.988 ( 0.824 3.591 1.326) 3.915 6.036 ( 1.016 -1.551 0.350) 1.887 6.347 ( -0.122 1.357 -0.685) 1.525 6.367 ( 0.375 -0.785 -0.659) 1.091 6.449 ( 0.068 0.330 -0.276) 0.436 6.455 ( -0.139 -0.381 -0.685) 0.796 6.993 ( -0.176 0.181 -1.025) 1.056 6.996 ( -0.164 -0.067 -1.182) 1.195 7.070 ( -2.049 1.034 0.518) 2.353 7.087 ( -2.324 -0.726 1.350) 2.784 10.076 ( -1.556 -0.190 -0.311) 1.598 10.077 ( -1.632 -0.301 -0.347) 1.695 10.184 ( 0.009 1.316 -0.372) 1.367 10.198 ( 0.074 0.015 0.145) 0.163 10.522 ( -2.231 -0.339 -1.661) 2.802 10.524 ( -2.134 -0.581 -1.066) 2.455 10.779 ( 0.802 3.336 1.583) 3.779 10.822 ( 1.006 -1.252 2.225) 2.744 10.954 ( -0.976 0.206 1.916) 2.160 10.963 ( -0.563 -0.649 1.869) 2.057 11.009 ( 0.223 0.455 0.273) 0.575 11.025 ( 0.786 -1.264 0.139) 1.495 11.127 ( 1.961 3.493 -1.070) 4.146 11.186 ( 2.028 -2.039 0.535) 2.925 11.340 ( -1.607 0.400 -2.207) 2.759 11.358 ( -2.156 -1.240 -1.708) 3.017 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 6.476 4.383 -3.775) 8.683 0.835 ( 2.951 -2.214 -4.090) 5.509 0.867 ( 2.888 4.474 -4.352) 6.877 0.989 ( 1.253 -3.800 -1.345) 4.221 1.039 ( 0.517 2.367 -0.485) 2.471 1.072 ( 0.284 -0.203 -0.340) 0.487 1.130 ( 0.170 4.329 -0.149) 4.335 1.150 ( -0.111 -2.148 -2.620) 3.390 1.172 ( -1.296 1.322 0.241) 1.867 1.255 ( -1.174 -2.328 0.140) 2.611 1.280 ( 0.326 -1.360 -1.282) 1.897 1.299 ( 0.124 -1.741 -0.359) 1.782 1.394 ( 3.150 1.049 -0.177) 3.325 1.404 ( 2.852 0.160 -0.347) 2.878 1.416 ( -1.073 2.894 -0.889) 3.212 1.478 ( -1.600 -2.345 -0.036) 2.839 1.498 ( 2.392 0.863 2.067) 3.277 1.542 ( 4.098 -1.928 1.113) 4.663 1.581 ( -1.910 2.035 -1.845) 3.345 1.624 ( 1.257 -2.791 0.633) 3.126 1.703 ( 0.670 2.241 0.407) 2.375 1.735 ( 1.617 1.198 0.157) 2.018 1.767 ( 0.144 0.719 -2.291) 2.405 1.786 ( 0.201 1.713 0.717) 1.868 1.792 ( 3.964 1.540 -3.505) 5.511 1.827 ( 2.069 -1.794 0.046) 2.739 1.908 ( -1.250 0.902 1.416) 2.093 1.925 ( -3.093 1.311 1.307) 3.605 1.978 ( -1.617 1.300 -1.614) 2.629 2.011 ( 0.437 1.383 0.533) 1.545 2.039 ( 1.353 -1.486 -1.030) 2.258 2.077 ( -0.423 -5.068 -0.845) 5.156 2.133 ( -0.606 2.032 0.256) 2.136 2.162 ( -0.853 -0.040 -0.916) 1.252 2.286 ( 2.339 2.000 -3.032) 4.320 2.304 ( 0.126 2.464 -3.743) 4.483 2.431 ( -1.117 -1.917 -2.623) 3.436 2.453 ( -0.045 -4.035 -0.518) 4.068 2.526 ( -2.174 2.137 -1.141) 3.254 2.578 ( -1.929 -2.396 -1.279) 3.331 2.624 ( 0.133 7.413 3.937) 8.395 2.657 ( -0.973 2.468 1.673) 3.136 2.694 ( -0.044 0.689 0.488) 0.846 2.707 ( -2.777 2.533 0.526) 3.796 2.772 ( -0.351 -3.432 2.447) 4.230 2.787 ( 1.138 -5.183 2.593) 5.906 2.846 ( -3.782 -0.347 0.016) 3.798 2.889 ( 1.151 -4.096 0.674) 4.307 2.929 ( -0.257 2.099 2.560) 3.320 2.987 ( -0.971 -2.538 1.559) 3.133 3.031 ( -0.285 0.842 1.447) 1.699 3.057 ( 0.697 -2.055 0.413) 2.209 3.293 ( -0.301 -0.018 1.738) 1.764 3.305 ( -0.509 -1.239 0.895) 1.612 3.583 ( 0.444 1.538 -0.284) 1.626 3.609 ( -0.979 -1.220 -0.059) 1.566 4.266 ( 0.886 0.505 0.014) 1.020 4.278 ( 0.903 -0.736 -0.140) 1.173 4.499 ( -0.411 1.085 0.181) 1.174 4.523 ( -0.416 -1.418 -0.473) 1.551 4.759 ( 1.835 0.034 0.001) 1.835 4.768 ( 1.553 -1.128 0.502) 1.984 4.938 ( 0.481 1.932 -0.688) 2.107 4.965 ( 1.041 -0.746 -0.603) 1.415 5.026 ( 2.141 1.350 1.620) 3.005 5.053 ( 1.752 -1.387 2.251) 3.172 5.171 ( -0.884 1.647 -0.408) 1.913 5.198 ( -1.068 -1.031 0.130) 1.490 5.676 ( -3.217 1.006 0.360) 3.390 5.693 ( -2.586 -0.707 -1.147) 2.915 6.001 ( -0.395 2.549 0.789) 2.697 6.039 ( -0.062 -1.454 -0.767) 1.645 6.348 ( 0.526 1.217 0.007) 1.325 6.366 ( 0.412 -0.708 -0.687) 1.069 6.452 ( 0.399 0.372 0.176) 0.574 6.457 ( 0.620 -0.207 0.205) 0.685 6.983 ( 0.595 0.400 -0.799) 1.074 6.988 ( 0.427 -0.053 -0.581) 0.723 7.045 ( -1.740 1.136 0.258) 2.094 7.063 ( -2.410 -0.778 0.677) 2.622 10.055 ( -0.776 -0.258 -0.202) 0.842 10.056 ( -0.616 -0.430 -0.243) 0.790 10.180 ( 0.062 1.405 -0.023) 1.407 10.196 ( -0.471 -0.000 0.145) 0.493 10.499 ( 0.195 0.173 0.484) 0.550 10.515 ( 0.235 -1.463 1.009) 1.793 10.796 ( -0.215 3.712 1.038) 3.860 10.843 ( -0.426 -1.419 0.869) 1.718 10.964 ( -0.591 0.631 1.948) 2.131 10.978 ( -0.318 -0.662 1.766) 1.913 11.024 ( 0.348 0.308 1.397) 1.472 11.041 ( 0.369 -1.452 1.017) 1.811 11.126 ( 0.685 3.893 -2.637) 4.751 11.196 ( -0.226 -2.939 -1.482) 3.299 11.295 ( -0.564 0.245 -2.460) 2.536 11.307 ( -1.098 -0.690 -2.021) 2.401 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.571 -0.751 -1.866) 2.553 0.816 ( 1.059 -1.009 -2.275) 2.705 0.898 ( 5.223 5.562 -0.824) 7.674 0.941 ( -4.029 2.285 -4.532) 6.481 1.038 ( 0.032 0.660 0.663) 0.936 1.058 ( 0.034 -1.083 -0.864) 1.386 1.109 ( -0.772 -2.358 -1.392) 2.845 1.114 ( -0.001 -3.158 -2.104) 3.795 1.196 ( 1.227 2.941 2.128) 3.832 1.234 ( 0.835 0.798 -1.790) 2.130 1.258 ( -1.821 -1.773 1.537) 2.970 1.305 ( 2.177 -3.963 -2.444) 5.140 1.387 ( -1.352 3.898 0.496) 4.156 1.418 ( -0.571 2.196 -2.413) 3.312 1.444 ( 1.281 0.552 0.986) 1.709 1.467 ( 1.070 -1.594 -0.522) 1.990 1.533 ( -1.712 2.217 1.246) 3.065 1.563 ( 1.614 1.729 -1.134) 2.623 1.589 ( 0.178 -1.604 2.561) 3.027 1.636 ( -0.144 -3.363 -0.908) 3.487 1.700 ( -1.125 0.485 1.746) 2.133 1.724 ( -1.947 -1.292 1.292) 2.670 1.752 ( -0.005 1.613 -1.554) 2.240 1.775 ( -0.449 -0.611 -1.490) 1.671 1.823 ( -0.176 0.672 0.280) 0.749 1.830 ( -0.999 -0.332 -0.417) 1.132 1.924 ( -1.144 0.335 1.906) 2.248 1.930 ( 1.882 0.670 0.632) 2.095 1.970 ( 1.929 1.568 -1.074) 2.708 2.001 ( 1.517 0.010 -2.712) 3.107 2.063 ( -1.131 -0.296 0.717) 1.372 2.081 ( 3.528 -1.432 -0.824) 3.896 2.144 ( 0.784 0.294 0.597) 1.029 2.152 ( -0.528 -0.073 -0.321) 0.622 2.235 ( -3.164 4.128 -1.361) 5.376 2.258 ( -0.539 2.526 -3.382) 4.255 2.391 ( 0.446 1.399 -0.416) 1.526 2.410 ( -2.239 0.464 -2.180) 3.159 2.501 ( -1.043 -3.273 0.843) 3.537 2.527 ( -0.664 -4.905 -1.566) 5.191 2.646 ( -0.973 3.817 2.077) 4.453 2.674 ( 1.187 1.421 1.213) 2.214 2.706 ( -0.120 4.522 0.771) 4.589 2.709 ( 0.835 6.257 -0.375) 6.324 2.781 ( -0.013 -3.558 1.789) 3.983 2.808 ( -0.155 -0.850 -0.772) 1.159 2.851 ( 0.117 -4.118 4.243) 5.914 2.909 ( 0.480 -6.700 -0.978) 6.788 2.958 ( 1.188 1.861 1.775) 2.833 2.981 ( -0.163 -0.244 -0.426) 0.518 3.043 ( -0.152 -0.135 1.264) 1.281 3.061 ( -0.248 -1.728 -0.355) 1.782 3.306 ( -0.585 -0.518 1.389) 1.593 3.310 ( -0.305 -0.900 0.897) 1.307 3.591 ( 0.413 0.243 0.055) 0.482 3.595 ( -0.182 -0.141 -0.328) 0.401 4.276 ( 0.058 -0.117 0.274) 0.303 4.282 ( -0.116 -0.739 -0.311) 0.810 4.504 ( 0.431 0.353 0.381) 0.675 4.514 ( -0.039 -0.677 -0.611) 0.913 4.787 ( 0.849 -0.356 0.465) 1.032 4.790 ( 0.204 -0.686 0.310) 0.780 4.926 ( -0.463 1.055 -0.123) 1.159 4.943 ( -0.737 -0.814 -1.717) 2.038 5.074 ( -2.010 2.274 3.736) 4.813 5.103 ( -1.035 -0.476 2.943) 3.156 5.151 ( 1.017 1.647 -1.597) 2.509 5.180 ( 1.865 -1.187 -2.398) 3.262 5.649 ( -0.782 1.052 0.542) 1.418 5.664 ( 0.459 -0.538 -0.964) 1.195 6.005 ( -0.223 1.340 0.902) 1.630 6.025 ( -0.020 -0.840 -1.160) 1.432 6.355 ( 0.079 0.342 0.225) 0.417 6.363 ( 0.070 -0.474 -0.561) 0.738 6.462 ( 0.245 0.545 0.395) 0.716 6.467 ( 0.309 0.027 -0.044) 0.313 6.987 ( -0.454 0.554 0.100) 0.723 6.992 ( 0.607 0.009 -0.452) 0.757 7.035 ( -0.081 0.205 0.113) 0.247 7.037 ( 0.087 0.013 -0.064) 0.108 10.047 ( -0.040 -0.207 -0.007) 0.211 10.050 ( 0.171 -0.489 -0.264) 0.581 10.186 ( 0.188 0.860 0.309) 0.933 10.189 ( -0.305 0.519 -0.017) 0.602 10.522 ( 0.860 -0.108 0.952) 1.287 10.532 ( 0.438 -1.179 0.097) 1.262 10.811 ( 0.561 2.235 1.536) 2.770 10.834 ( -0.769 -0.263 -0.545) 0.979 10.978 ( -0.341 0.804 1.719) 1.928 10.989 ( -0.230 -0.273 0.667) 0.756 11.041 ( -0.512 0.727 1.658) 1.882 11.066 ( -0.381 -1.551 3.545) 3.888 11.099 ( 0.411 2.594 -2.863) 3.885 11.153 ( -0.978 -2.718 -3.591) 4.609 11.275 ( 0.709 0.305 -1.167) 1.399 11.283 ( 0.586 -0.448 -1.682) 1.836 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -4.934 3.693 -1.564) 6.358 0.788 ( -5.894 6.175 -1.667) 8.697 0.846 ( -0.095 -2.480 -1.443) 2.871 0.957 ( 0.100 -4.882 0.868) 4.960 1.041 ( -1.001 0.211 -0.376) 1.090 1.045 ( -0.512 0.175 0.811) 0.975 1.109 ( 2.784 0.630 0.949) 3.008 1.151 ( 3.782 -1.188 -0.517) 3.998 1.213 ( 0.100 2.180 -2.999) 3.709 1.242 ( 2.912 1.731 0.471) 3.420 1.262 ( -1.180 -1.123 1.464) 2.190 1.308 ( 2.057 -3.583 -2.255) 4.707 1.368 ( -3.491 2.219 1.235) 4.317 1.375 ( -1.858 1.429 1.120) 2.598 1.449 ( -1.057 2.484 -2.958) 4.004 1.472 ( 1.114 0.076 0.809) 1.379 1.518 ( -2.604 0.003 1.852) 3.196 1.538 ( -1.552 -2.141 -1.251) 2.926 1.601 ( -0.619 0.992 -1.118) 1.618 1.642 ( -0.187 -1.998 -1.269) 2.375 1.697 ( -3.380 1.446 2.416) 4.399 1.708 ( -2.699 2.095 1.129) 3.599 1.728 ( -1.191 -0.221 2.644) 2.908 1.749 ( -0.085 -1.915 -0.963) 2.145 1.789 ( -2.390 1.388 0.056) 2.764 1.811 ( -2.308 -0.248 1.655) 2.851 1.914 ( -0.479 3.554 -0.245) 3.594 1.951 ( -0.407 -0.654 0.359) 0.850 1.983 ( 0.445 0.669 -3.752) 3.837 2.019 ( 1.485 0.726 0.220) 1.668 2.037 ( 3.236 -0.496 -0.553) 3.320 2.082 ( -0.415 -5.472 -1.617) 5.721 2.140 ( 0.089 2.212 0.009) 2.214 2.166 ( 0.871 -0.497 -0.852) 1.316 2.228 ( -0.719 2.130 2.349) 3.252 2.251 ( 0.351 0.793 1.413) 1.658 2.382 ( 0.407 0.727 1.743) 1.932 2.432 ( 1.299 -2.384 1.295) 3.008 2.491 ( 0.583 -0.209 1.693) 1.803 2.548 ( 1.772 -3.881 1.153) 4.419 2.667 ( 0.393 4.096 2.097) 4.618 2.685 ( -1.000 6.512 -1.767) 6.821 2.697 ( 2.899 2.720 -1.685) 4.318 2.726 ( 0.696 3.475 -0.367) 3.563 2.798 ( 0.734 -3.896 0.246) 3.972 2.821 ( 0.114 -5.404 -0.778) 5.461 2.860 ( -0.292 0.012 0.483) 0.564 2.899 ( 0.674 -4.034 -1.658) 4.413 2.973 ( 0.618 0.404 -1.285) 1.482 3.003 ( 2.527 -0.691 -0.245) 2.632 3.049 ( -0.658 -1.316 0.846) 1.698 3.052 ( -0.079 -0.503 -0.375) 0.632 3.307 ( -0.654 -0.478 0.759) 1.110 3.312 ( -0.349 -0.838 0.291) 0.953 3.583 ( -0.407 1.417 -0.282) 1.501 3.609 ( 1.215 -1.280 -0.052) 1.766 4.268 ( -1.071 -0.141 -0.164) 1.092 4.273 ( -0.931 -0.729 0.256) 1.210 4.508 ( 0.369 0.294 -0.668) 0.818 4.517 ( 0.795 -0.651 0.165) 1.041 4.768 ( -2.095 0.381 -0.772) 2.265 4.783 ( -1.402 -1.439 -0.766) 2.150 4.926 ( -0.519 0.685 0.250) 0.895 4.937 ( 0.113 -0.420 1.684) 1.739 5.034 ( -5.094 2.185 1.367) 5.709 5.073 ( -4.193 -1.697 0.762) 4.587 5.175 ( 2.600 2.548 -0.950) 3.762 5.213 ( 3.561 -1.221 -1.384) 4.011 5.671 ( 2.589 1.164 1.014) 3.014 5.685 ( 3.194 -0.353 -0.530) 3.257 6.012 ( -0.014 0.935 0.227) 0.962 6.023 ( 0.791 -0.119 0.271) 0.845 6.353 ( -0.533 -0.041 -0.473) 0.713 6.355 ( -0.424 -0.184 0.283) 0.542 6.461 ( -0.425 0.330 -0.634) 0.832 6.463 ( -0.370 0.201 -0.307) 0.521 6.972 ( -1.129 0.547 0.211) 1.272 6.982 ( -0.856 -0.473 -0.113) 0.984 7.049 ( 2.254 1.611 -0.155) 2.775 7.071 ( 3.033 -0.725 -0.140) 3.122 10.052 ( 0.635 -0.116 0.049) 0.647 10.055 ( 0.844 -0.426 -0.191) 0.965 10.181 ( -0.448 1.294 -0.010) 1.369 10.195 ( 0.341 -0.073 0.162) 0.385 10.518 ( -0.540 0.326 -1.167) 1.326 10.536 ( 0.283 -1.441 -0.902) 1.724 10.818 ( 0.149 2.346 -1.049) 2.574 10.843 ( 1.220 -0.456 0.938) 1.605 10.987 ( -0.056 0.278 -0.103) 0.301 10.991 ( 0.013 0.104 0.523) 0.534 11.051 ( -1.241 2.348 1.671) 3.138 11.065 ( -0.209 1.239 -1.420) 1.896 11.100 ( -0.572 -1.437 -2.801) 3.199 11.124 ( 0.112 -3.203 5.212) 6.119 11.283 ( 1.464 0.388 -1.195) 1.929 11.287 ( 1.887 -0.106 -0.388) 1.929 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -6.022 8.481 0.197) 10.403 0.736 ( -4.171 6.454 4.745) 9.031 0.825 ( -0.914 -4.236 0.247) 4.341 0.949 ( -2.093 -8.015 1.596) 8.436 1.010 ( -3.154 2.946 -0.283) 4.326 1.052 ( -1.425 -1.182 1.344) 2.288 1.130 ( -0.989 5.017 -2.390) 5.645 1.165 ( 1.354 4.194 -1.145) 4.554 1.206 ( 2.399 0.491 0.535) 2.506 1.233 ( -2.286 -3.883 -0.893) 4.594 1.286 ( -0.643 2.231 0.639) 2.408 1.315 ( 1.356 -0.962 -1.234) 2.071 1.348 ( -1.827 1.090 0.330) 2.153 1.361 ( -1.030 1.988 0.408) 2.276 1.425 ( -1.113 0.861 0.556) 1.513 1.452 ( -2.174 -1.008 -0.422) 2.433 1.485 ( -1.029 -1.695 -0.614) 2.076 1.532 ( 2.651 -3.740 0.680) 4.635 1.587 ( -1.374 0.246 1.166) 1.818 1.602 ( -2.556 -1.169 -0.564) 2.867 1.631 ( -4.673 5.600 1.790) 7.510 1.705 ( -2.233 1.018 0.467) 2.498 1.717 ( -0.905 2.636 0.389) 2.814 1.736 ( -1.097 -0.420 0.868) 1.461 1.807 ( 2.085 1.345 0.906) 2.641 1.836 ( 2.250 -1.291 0.962) 2.766 1.909 ( -0.825 2.108 0.680) 2.364 1.949 ( -0.108 1.486 -0.554) 1.590 1.968 ( -0.557 -3.969 3.137) 5.089 2.024 ( -0.747 2.888 -2.150) 3.676 2.054 ( -0.782 -4.533 0.762) 4.663 2.078 ( 1.993 -3.390 -1.436) 4.187 2.158 ( 1.603 2.800 -0.992) 3.375 2.199 ( 5.295 1.204 1.235) 5.569 2.227 ( -1.956 0.541 1.557) 2.558 2.270 ( -0.070 -1.326 2.102) 2.486 2.416 ( -1.745 -1.753 -0.165) 2.479 2.442 ( -0.172 -4.794 2.316) 5.327 2.542 ( 1.139 1.347 1.808) 2.526 2.575 ( -0.500 -1.524 1.158) 1.978 2.656 ( 0.622 4.995 -1.887) 5.376 2.670 ( -1.758 6.100 -1.856) 6.614 2.710 ( 1.616 1.529 -1.025) 2.449 2.756 ( 0.662 -0.993 -0.373) 1.250 2.773 ( 0.415 -3.603 -0.463) 3.656 2.798 ( 0.348 -4.143 -1.082) 4.296 2.895 ( 2.420 1.301 0.254) 2.759 2.914 ( 2.779 -1.761 -1.323) 3.546 2.953 ( 0.537 0.133 -2.746) 2.801 3.002 ( -1.508 -3.926 -1.547) 4.481 3.045 ( -0.144 0.602 -0.880) 1.075 3.056 ( 0.844 -0.461 -0.490) 1.079 3.310 ( 0.808 -0.036 -0.448) 0.924 3.318 ( 1.083 -0.898 0.367) 1.454 3.576 ( -0.204 2.867 0.047) 2.874 3.627 ( 1.126 -2.407 -0.147) 2.662 4.248 ( -1.164 0.325 0.112) 1.214 4.258 ( -1.306 -0.651 0.358) 1.503 4.514 ( 1.134 0.836 -0.285) 1.438 4.533 ( 1.110 -1.214 0.063) 1.646 4.729 ( -1.944 0.430 0.047) 1.992 4.742 ( -2.478 -1.270 -0.573) 2.842 4.903 ( -3.545 1.698 0.249) 3.939 4.933 ( -2.967 -1.258 0.325) 3.239 4.988 ( -1.954 2.012 0.727) 2.897 5.033 ( -1.346 -2.596 0.556) 2.976 5.190 ( 1.027 2.639 -1.143) 3.054 5.231 ( 1.259 -1.595 -1.974) 2.833 5.740 ( 4.363 0.302 -0.514) 4.404 5.743 ( 4.908 0.079 0.832) 4.978 6.013 ( 0.132 2.306 -0.687) 2.410 6.041 ( 0.688 -0.548 -0.056) 0.882 6.338 ( -0.691 1.061 0.003) 1.266 6.353 ( -0.449 -0.590 0.642) 0.981 6.447 ( -0.425 0.211 -0.153) 0.498 6.450 ( -0.589 -0.138 -0.271) 0.663 6.967 ( -0.421 0.591 1.079) 1.300 6.977 ( -0.207 -0.537 0.721) 0.922 7.085 ( 2.795 1.974 -0.732) 3.499 7.112 ( 2.900 -0.961 -0.965) 3.204 10.070 ( 1.476 -0.005 0.233) 1.494 10.073 ( 1.563 -0.325 0.034) 1.597 10.175 ( -0.469 1.574 0.323) 1.674 10.198 ( -0.295 -0.555 0.122) 0.640 10.506 ( 0.677 0.542 -0.248) 0.902 10.524 ( 0.360 -1.336 -0.881) 1.641 10.810 ( 0.343 3.537 -1.480) 3.850 10.856 ( 0.231 -1.542 -0.935) 1.818 10.986 ( 0.622 0.416 -0.851) 1.133 10.993 ( 0.396 -0.225 -0.544) 0.710 11.025 ( -1.095 0.461 -1.428) 1.857 11.039 ( -1.259 -0.528 -1.516) 2.041 11.098 ( -0.398 3.044 1.722) 3.520 11.174 ( -0.808 -4.352 2.800) 5.238 11.303 ( 2.006 1.700 0.612) 2.700 11.326 ( 2.935 -0.752 0.857) 3.148 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -2.651 8.869 5.338) 10.685 0.721 ( -3.562 0.575 3.726) 5.187 0.849 ( -0.582 0.199 4.141) 4.186 0.918 ( -4.074 1.099 -1.781) 4.580 0.952 ( -1.753 -2.386 1.485) 3.312 1.004 ( -3.216 -3.907 -0.859) 5.133 1.109 ( 0.705 4.688 -0.568) 4.775 1.187 ( 0.770 0.749 -1.635) 1.956 1.201 ( -0.453 2.024 1.250) 2.421 1.246 ( -1.347 0.818 0.224) 1.592 1.262 ( -0.554 1.949 0.389) 2.063 1.295 ( -1.183 -1.022 -0.497) 1.641 1.339 ( -0.673 0.165 -1.110) 1.309 1.347 ( -1.035 1.208 -3.348) 3.707 1.387 ( 1.273 -2.355 2.103) 3.404 1.426 ( 1.059 -2.165 -0.057) 2.411 1.528 ( -2.150 0.898 -1.047) 2.554 1.536 ( -3.256 0.496 -0.796) 3.389 1.563 ( 2.212 4.479 4.230) 6.546 1.611 ( 2.310 0.503 1.591) 2.850 1.653 ( 1.878 -2.566 3.444) 4.687 1.681 ( -0.720 0.627 -0.824) 1.261 1.710 ( 0.237 3.180 1.481) 3.516 1.749 ( -0.136 0.191 2.459) 2.470 1.827 ( 0.477 2.103 -1.266) 2.501 1.851 ( -1.852 0.015 -0.977) 2.094 1.900 ( 1.032 1.866 0.127) 2.136 1.937 ( -2.536 0.532 -1.149) 2.835 1.965 ( -2.568 -1.656 -0.723) 3.140 1.976 ( -1.547 -2.660 0.563) 3.128 2.092 ( 1.723 -0.757 3.796) 4.237 2.120 ( 2.758 -3.254 2.657) 5.025 2.173 ( 0.134 3.404 -0.865) 3.515 2.232 ( 0.537 1.770 2.352) 2.992 2.278 ( 2.687 -1.487 -2.122) 3.733 2.300 ( 0.815 -1.169 2.051) 2.497 2.350 ( -2.390 0.828 -1.052) 2.739 2.429 ( -2.757 -6.357 0.030) 6.929 2.532 ( -1.673 1.196 -2.846) 3.511 2.558 ( -1.233 -1.806 -1.401) 2.597 2.645 ( 0.829 3.993 -2.612) 4.843 2.658 ( 0.081 2.388 2.684) 3.594 2.712 ( 0.555 -2.059 -0.505) 2.191 2.721 ( -1.277 0.399 0.039) 1.339 2.810 ( 1.908 -2.804 -1.800) 3.840 2.823 ( 2.964 -1.763 -0.337) 3.465 2.883 ( -1.364 -0.394 -2.650) 3.006 2.921 ( -1.927 -3.010 -1.105) 3.741 2.936 ( 0.464 1.341 -0.890) 1.675 2.981 ( 1.022 -2.468 -1.057) 2.873 3.032 ( 0.732 1.039 -0.783) 1.492 3.052 ( 0.045 -0.850 -0.910) 1.246 3.324 ( 1.642 1.118 -0.691) 2.103 3.343 ( 1.543 -0.780 -0.477) 1.794 3.580 ( 0.107 3.230 0.954) 3.369 3.634 ( 0.306 -2.300 -0.643) 2.407 4.241 ( -0.326 0.295 0.534) 0.691 4.248 ( -0.558 -0.368 0.367) 0.762 4.530 ( 0.853 0.552 0.026) 1.017 4.546 ( 0.491 -1.168 -0.190) 1.281 4.711 ( -1.147 0.496 0.903) 1.541 4.720 ( -0.077 -0.213 1.450) 1.467 4.839 ( -3.682 1.725 -0.780) 4.140 4.873 ( -3.457 -1.564 -1.035) 3.933 4.979 ( -0.805 1.792 0.867) 2.147 5.026 ( -0.960 -2.936 0.410) 3.116 5.186 ( 0.468 1.918 -1.357) 2.396 5.215 ( 0.200 -1.123 -2.311) 2.577 5.796 ( 3.700 1.222 -0.617) 3.945 5.822 ( 3.898 -1.460 0.449) 4.187 5.984 ( -1.411 3.671 -2.370) 4.592 6.024 ( -1.629 -0.657 -1.675) 2.427 6.345 ( 0.550 0.601 1.103) 1.372 6.356 ( -0.174 -0.617 0.803) 1.028 6.448 ( 0.375 0.331 0.529) 0.728 6.453 ( 0.434 -0.327 0.804) 0.970 6.982 ( 0.011 0.219 1.739) 1.753 6.990 ( 0.204 -0.547 1.272) 1.400 7.109 ( 1.722 1.731 -1.429) 2.830 7.135 ( 1.989 -0.984 -1.734) 2.816 10.101 ( 2.017 0.001 0.398) 2.056 10.103 ( 1.954 -0.140 0.285) 1.979 10.172 ( -0.911 1.207 0.750) 1.688 10.189 ( -1.027 -0.427 0.144) 1.122 10.543 ( 2.366 0.281 2.124) 3.192 10.552 ( 3.023 -0.665 2.104) 3.743 10.784 ( -0.759 3.142 -2.902) 4.344 10.825 ( -1.296 -1.459 -3.140) 3.697 10.978 ( -0.163 0.659 -1.333) 1.496 10.988 ( 0.328 -0.534 -2.159) 2.248 11.008 ( 0.515 0.077 0.338) 0.621 11.015 ( -0.470 -0.642 0.067) 0.798 11.091 ( -1.738 3.018 0.341) 3.500 11.151 ( -3.004 -2.767 -0.670) 4.139 11.354 ( 2.156 1.529 1.781) 3.188 11.384 ( 2.515 -1.526 0.882) 3.071 =================== 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 3/19200 10.0 18.548 18.392 18.173 0.000 3.417 0.000 3/19200 20.0 3.718 3.812 3.685 0.000 0.727 0.000 3/19200 30.0 1.833 1.865 1.792 0.000 0.352 0.000 3/19200 40.0 1.202 1.219 1.167 0.000 0.229 0.000 3/19200 50.0 0.894 0.905 0.865 0.000 0.170 0.000 3/19200 60.0 0.713 0.721 0.688 0.000 0.135 0.000 3/19200 70.0 0.594 0.599 0.573 0.000 0.112 0.000 3/19200 80.0 0.510 0.514 0.492 0.000 0.096 0.000 3/19200 90.0 0.448 0.450 0.432 0.000 0.085 0.000 3/19200 100.0 0.400 0.401 0.386 0.000 0.076 0.000 3/19200 110.0 0.361 0.363 0.349 0.000 0.069 0.000 3/19200 120.0 0.330 0.331 0.320 0.000 0.063 0.000 3/19200 130.0 0.304 0.305 0.295 0.000 0.058 0.000 3/19200 140.0 0.283 0.282 0.275 0.000 0.054 0.000 3/19200 150.0 0.264 0.263 0.257 0.000 0.051 0.000 3/19200 160.0 0.248 0.247 0.242 0.000 0.048 0.000 3/19200 170.0 0.233 0.233 0.228 0.000 0.046 0.000 3/19200 180.0 0.221 0.220 0.217 0.000 0.043 0.000 3/19200 190.0 0.210 0.208 0.206 0.000 0.041 0.000 3/19200 200.0 0.199 0.198 0.196 0.000 0.040 0.000 3/19200 210.0 0.190 0.189 0.188 0.000 0.038 0.000 3/19200 220.0 0.182 0.181 0.180 0.000 0.036 0.000 3/19200 230.0 0.174 0.173 0.173 0.000 0.035 0.000 3/19200 240.0 0.167 0.166 0.166 0.000 0.034 0.000 3/19200 250.0 0.161 0.159 0.160 0.000 0.033 0.000 3/19200 260.0 0.155 0.154 0.154 0.000 0.031 0.000 3/19200 270.0 0.150 0.148 0.149 0.000 0.030 0.000 3/19200 280.0 0.144 0.143 0.144 0.000 0.029 0.000 3/19200 290.0 0.140 0.138 0.140 0.000 0.029 0.000 3/19200 300.0 0.135 0.134 0.135 0.000 0.028 0.000 3/19200 310.0 0.131 0.130 0.131 0.000 0.027 0.000 3/19200 320.0 0.127 0.126 0.127 0.000 0.026 0.000 3/19200 330.0 0.123 0.122 0.124 0.000 0.026 0.000 3/19200 340.0 0.120 0.118 0.121 0.000 0.025 0.000 3/19200 350.0 0.117 0.115 0.117 0.000 0.024 0.000 3/19200 360.0 0.114 0.112 0.114 0.000 0.024 0.000 3/19200 370.0 0.111 0.109 0.111 0.000 0.023 0.000 3/19200 380.0 0.108 0.106 0.109 0.000 0.023 0.000 3/19200 390.0 0.105 0.104 0.106 0.000 0.022 0.000 3/19200 400.0 0.103 0.101 0.104 0.000 0.022 0.000 3/19200 410.0 0.100 0.099 0.101 0.000 0.021 0.000 3/19200 420.0 0.098 0.097 0.099 0.000 0.021 0.000 3/19200 430.0 0.096 0.094 0.097 0.000 0.020 0.000 3/19200 440.0 0.094 0.092 0.095 0.000 0.020 0.000 3/19200 450.0 0.092 0.090 0.093 0.000 0.019 0.000 3/19200 460.0 0.090 0.088 0.091 0.000 0.019 0.000 3/19200 470.0 0.088 0.087 0.089 0.000 0.019 0.000 3/19200 480.0 0.086 0.085 0.087 0.000 0.018 0.000 3/19200 490.0 0.084 0.083 0.086 0.000 0.018 0.000 3/19200 500.0 0.083 0.081 0.084 0.000 0.018 0.000 3/19200 510.0 0.081 0.080 0.083 0.000 0.017 0.000 3/19200 520.0 0.080 0.078 0.081 0.000 0.017 0.000 3/19200 530.0 0.078 0.077 0.080 0.000 0.017 0.000 3/19200 540.0 0.077 0.076 0.078 0.000 0.016 0.000 3/19200 550.0 0.075 0.074 0.077 0.000 0.016 0.000 3/19200 560.0 0.074 0.073 0.076 0.000 0.016 0.000 3/19200 570.0 0.073 0.072 0.074 0.000 0.016 0.000 3/19200 580.0 0.072 0.071 0.073 0.000 0.015 0.000 3/19200 590.0 0.070 0.069 0.072 0.000 0.015 0.000 3/19200 600.0 0.069 0.068 0.071 0.000 0.015 0.000 3/19200 610.0 0.068 0.067 0.070 0.000 0.015 0.000 3/19200 620.0 0.067 0.066 0.069 0.000 0.014 0.000 3/19200 630.0 0.066 0.065 0.068 0.000 0.014 0.000 3/19200 640.0 0.065 0.064 0.067 0.000 0.014 0.000 3/19200 650.0 0.064 0.063 0.066 0.000 0.014 0.000 3/19200 660.0 0.063 0.062 0.065 0.000 0.014 0.000 3/19200 670.0 0.062 0.061 0.064 0.000 0.013 0.000 3/19200 680.0 0.061 0.060 0.063 0.000 0.013 0.000 3/19200 690.0 0.061 0.060 0.062 0.000 0.013 0.000 3/19200 700.0 0.060 0.059 0.061 0.000 0.013 0.000 3/19200 710.0 0.059 0.058 0.060 0.000 0.013 0.000 3/19200 720.0 0.058 0.057 0.060 0.000 0.013 0.000 3/19200 730.0 0.057 0.056 0.059 0.000 0.012 0.000 3/19200 740.0 0.057 0.056 0.058 0.000 0.012 0.000 3/19200 750.0 0.056 0.055 0.057 0.000 0.012 0.000 3/19200 760.0 0.055 0.054 0.057 0.000 0.012 0.000 3/19200 770.0 0.054 0.053 0.056 0.000 0.012 0.000 3/19200 780.0 0.054 0.053 0.055 0.000 0.012 0.000 3/19200 790.0 0.053 0.052 0.054 0.000 0.012 0.000 3/19200 800.0 0.052 0.051 0.054 0.000 0.011 0.000 3/19200 810.0 0.052 0.051 0.053 0.000 0.011 0.000 3/19200 820.0 0.051 0.050 0.053 0.000 0.011 0.000 3/19200 830.0 0.051 0.050 0.052 0.000 0.011 0.000 3/19200 840.0 0.050 0.049 0.051 0.000 0.011 0.000 3/19200 850.0 0.049 0.049 0.051 0.000 0.011 0.000 3/19200 860.0 0.049 0.048 0.050 0.000 0.011 0.000 3/19200 870.0 0.048 0.047 0.050 0.000 0.011 0.000 3/19200 880.0 0.048 0.047 0.049 0.000 0.010 0.000 3/19200 890.0 0.047 0.046 0.049 0.000 0.010 0.000 3/19200 900.0 0.047 0.046 0.048 0.000 0.010 0.000 3/19200 910.0 0.046 0.045 0.048 0.000 0.010 0.000 3/19200 920.0 0.046 0.045 0.047 0.000 0.010 0.000 3/19200 930.0 0.045 0.044 0.047 0.000 0.010 0.000 3/19200 940.0 0.045 0.044 0.046 0.000 0.010 0.000 3/19200 950.0 0.044 0.044 0.046 0.000 0.010 0.000 3/19200 960.0 0.044 0.043 0.045 0.000 0.010 0.000 3/19200 970.0 0.043 0.043 0.045 0.000 0.010 0.000 3/19200 980.0 0.043 0.042 0.044 0.000 0.009 0.000 3/19200 990.0 0.043 0.042 0.044 0.000 0.009 0.000 3/19200 1000.0 0.042 0.041 0.043 0.000 0.009 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:45:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|