----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:10:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424001260113280 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): *1 Ag 0.61276246476379 0.92702415276104 0.16993928395892 107.868 *2 Ag 0.02457450861142 0.22981379701606 0.78961910071478 107.868 *3 Ag 0.08471319088462 0.29414138184336 0.01229740667091 107.868 *4 Ag 0.47909365870699 0.62617881065299 0.10414158237118 107.868 *5 Ag 0.51968944326887 0.33794815310816 0.13325384169104 107.868 6 Ag 0.38723753523621 0.07297584723896 0.83006071604108 107.868 7 Ag 0.02457450861142 0.27018620298395 0.28961910071477 107.868 *8 Ag 0.90904939935985 0.93173036358127 0.90809874341080 107.868 9 Ag 0.97542549138858 0.77018620298395 0.21038089928522 107.868 10 Ag 0.38723753523621 0.42702415276104 0.33006071604108 107.868 11 Ag 0.48031055673113 0.83794815310816 0.36674615830896 107.868 12 Ag 0.97542549138858 0.72981379701605 0.71038089928522 107.868 13 Ag 0.08471319088462 0.20585861815664 0.51229740667090 107.868 14 Ag 0.91528680911538 0.79414138184336 0.48770259332909 107.868 15 Ag 0.52090634129301 0.37382118934701 0.89585841762882 107.868 16 Ag 0.09095060064015 0.06826963641873 0.09190125658920 107.868 17 Ag 0.51968944326887 0.16205184689184 0.63325384169104 107.868 18 Ag 0.52090634129301 0.12617881065299 0.39585841762882 107.868 19 Ag 0.47909365870699 0.87382118934701 0.60414158237118 107.868 20 Ag 0.09095060064015 0.43173036358127 0.59190125658920 107.868 21 Ag 0.91528680911538 0.70585861815664 0.98770259332910 107.868 22 Ag 0.48031055673113 0.66205184689184 0.86674615830896 107.868 23 Ag 0.90904939935985 0.56826963641873 0.40809874341080 107.868 24 Ag 0.61276246476379 0.57297584723896 0.66993928395892 107.868 *25 P 0.54119779835622 0.09463580032633 0.00882538423500 30.974 *26 P 0.95053985219236 0.00649881284996 0.62533699696695 30.974 27 P 0.45880220164378 0.59463580032633 0.49117461576500 30.974 *28 P 0.83367230443460 0.52149095314475 0.23372193954506 30.974 29 P 0.16632769556540 0.02149095314475 0.26627806045494 30.974 30 P 0.54119779835622 0.40536419967367 0.50882538423500 30.974 31 P 0.04946014780765 0.50649881284997 0.87466300303305 30.974 32 P 0.83367230443460 0.97850904685525 0.73372193954506 30.974 33 P 0.16632769556540 0.47850904685525 0.76627806045494 30.974 34 P 0.45880220164378 0.90536419967367 0.99117461576500 30.974 35 P 0.95053985219236 0.49350118715003 0.12533699696695 30.974 36 P 0.04946014780765 0.99350118715003 0.37466300303305 30.974 *37 S 0.90957823041106 0.44215867055404 0.70206234120814 32.065 *38 S 0.84184538233403 0.38731284853999 0.48593442718070 32.065 39 S 0.15815461766597 0.61268715146001 0.51406557281930 32.065 *40 S 0.09847206890159 0.85648207810744 0.60389959639332 32.065 41 S 0.09042176958894 0.94215867055404 0.79793765879186 32.065 *42 S 0.47359028016575 0.37541407742416 0.61042548222683 32.065 *43 S 0.68664931498912 0.37101702395525 0.25719550487201 32.065 44 S 0.90957823041106 0.05784132944596 0.20206234120814 32.065 *45 S 0.34899173174203 0.31288667846811 0.44022156416489 32.065 *46 S 0.69774578963814 0.02874676680742 0.55666545291141 32.065 47 S 0.84184538233403 0.11268715146001 0.98593442718070 32.065 48 S 0.65100826825797 0.81288667846811 0.05977843583512 32.065 *49 S 0.12337398886575 0.15188809038763 0.63520809051672 32.065 50 S 0.87662601113425 0.65188809038763 0.86479190948328 32.065 51 S 0.87662601113425 0.84811190961237 0.36479190948328 32.065 52 S 0.30225421036187 0.52874676680742 0.94333454708859 32.065 53 S 0.52640971983425 0.87541407742416 0.88957451777317 32.065 54 S 0.30225421036187 0.97125323319258 0.44333454708859 32.065 *55 S 0.64382505846020 0.83973786872004 0.72786984830426 32.065 56 S 0.09042176958894 0.55784132944596 0.29793765879186 32.065 57 S 0.90152793109841 0.35648207810743 0.89610040360668 32.065 58 S 0.35617494153980 0.16026213127996 0.27213015169574 32.065 59 S 0.69774578963814 0.47125323319258 0.05666545291140 32.065 60 S 0.52640971983425 0.62458592257584 0.38957451777317 32.065 61 S 0.47359028016575 0.12458592257584 0.11042548222683 32.065 62 S 0.64382505846020 0.66026213127996 0.22786984830426 32.065 63 S 0.34899173174203 0.18711332153189 0.94022156416489 32.065 64 S 0.65100826825797 0.68711332153189 0.55977843583511 32.065 65 S 0.31335068501088 0.87101702395525 0.24280449512799 32.065 66 S 0.09847206890159 0.64351792189256 0.10389959639332 32.065 67 S 0.15815461766597 0.88731284853999 0.01406557281930 32.065 68 S 0.68664931498912 0.12898297604475 0.75719550487201 32.065 69 S 0.12337398886575 0.34811190961237 0.13520809051672 32.065 70 S 0.90152793109841 0.14351792189256 0.39610040360668 32.065 71 S 0.35617494153980 0.33973786872004 0.77213015169574 32.065 72 S 0.31335068501088 0.62898297604475 0.74280449512799 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.424001260113280 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): *1 Ag 0.61276246476379 0.92702415276104 0.16993928395892 107.868 > 1 *2 Ag 0.02457450861142 0.22981379701606 0.78961910071478 107.868 > 2 *3 Ag 0.08471319088462 0.29414138184336 0.01229740667091 107.868 > 3 *4 Ag 0.47909365870699 0.62617881065299 0.10414158237118 107.868 > 4 *5 Ag 0.51968944326887 0.33794815310816 0.13325384169104 107.868 > 5 6 Ag 0.38723753523621 0.07297584723896 0.83006071604108 107.868 > 6 7 Ag 0.02457450861142 0.27018620298395 0.28961910071477 107.868 > 7 *8 Ag 0.90904939935985 0.93173036358127 0.90809874341080 107.868 > 8 9 Ag 0.97542549138858 0.77018620298395 0.21038089928522 107.868 > 9 10 Ag 0.38723753523621 0.42702415276104 0.33006071604108 107.868 > 10 11 Ag 0.48031055673113 0.83794815310816 0.36674615830896 107.868 > 11 12 Ag 0.97542549138858 0.72981379701605 0.71038089928522 107.868 > 12 13 Ag 0.08471319088462 0.20585861815664 0.51229740667090 107.868 > 13 14 Ag 0.91528680911538 0.79414138184336 0.48770259332909 107.868 > 14 15 Ag 0.52090634129301 0.37382118934701 0.89585841762882 107.868 > 15 16 Ag 0.09095060064015 0.06826963641873 0.09190125658920 107.868 > 16 17 Ag 0.51968944326887 0.16205184689184 0.63325384169104 107.868 > 17 18 Ag 0.52090634129301 0.12617881065299 0.39585841762882 107.868 > 18 19 Ag 0.47909365870699 0.87382118934701 0.60414158237118 107.868 > 19 20 Ag 0.09095060064015 0.43173036358127 0.59190125658920 107.868 > 20 21 Ag 0.91528680911538 0.70585861815664 0.98770259332910 107.868 > 21 22 Ag 0.48031055673113 0.66205184689184 0.86674615830896 107.868 > 22 23 Ag 0.90904939935985 0.56826963641873 0.40809874341080 107.868 > 23 24 Ag 0.61276246476379 0.57297584723896 0.66993928395892 107.868 > 24 *25 P 0.54119779835622 0.09463580032633 0.00882538423500 30.974 > 25 *26 P 0.95053985219236 0.00649881284996 0.62533699696695 30.974 > 26 27 P 0.45880220164378 0.59463580032633 0.49117461576500 30.974 > 27 *28 P 0.83367230443460 0.52149095314475 0.23372193954506 30.974 > 28 29 P 0.16632769556540 0.02149095314475 0.26627806045494 30.974 > 29 30 P 0.54119779835622 0.40536419967367 0.50882538423500 30.974 > 30 31 P 0.04946014780765 0.50649881284997 0.87466300303305 30.974 > 31 32 P 0.83367230443460 0.97850904685525 0.73372193954506 30.974 > 32 33 P 0.16632769556540 0.47850904685525 0.76627806045494 30.974 > 33 34 P 0.45880220164378 0.90536419967367 0.99117461576500 30.974 > 34 35 P 0.95053985219236 0.49350118715003 0.12533699696695 30.974 > 35 36 P 0.04946014780765 0.99350118715003 0.37466300303305 30.974 > 36 *37 S 0.90957823041106 0.44215867055404 0.70206234120814 32.065 > 37 *38 S 0.84184538233403 0.38731284853999 0.48593442718070 32.065 > 38 39 S 0.15815461766597 0.61268715146001 0.51406557281930 32.065 > 39 *40 S 0.09847206890159 0.85648207810744 0.60389959639332 32.065 > 40 41 S 0.09042176958894 0.94215867055404 0.79793765879186 32.065 > 41 *42 S 0.47359028016575 0.37541407742416 0.61042548222683 32.065 > 42 *43 S 0.68664931498912 0.37101702395525 0.25719550487201 32.065 > 43 44 S 0.90957823041106 0.05784132944596 0.20206234120814 32.065 > 44 *45 S 0.34899173174203 0.31288667846811 0.44022156416489 32.065 > 45 *46 S 0.69774578963814 0.02874676680742 0.55666545291141 32.065 > 46 47 S 0.84184538233403 0.11268715146001 0.98593442718070 32.065 > 47 48 S 0.65100826825797 0.81288667846811 0.05977843583512 32.065 > 48 *49 S 0.12337398886575 0.15188809038763 0.63520809051672 32.065 > 49 50 S 0.87662601113425 0.65188809038763 0.86479190948328 32.065 > 50 51 S 0.87662601113425 0.84811190961237 0.36479190948328 32.065 > 51 52 S 0.30225421036187 0.52874676680742 0.94333454708859 32.065 > 52 53 S 0.52640971983425 0.87541407742416 0.88957451777317 32.065 > 53 54 S 0.30225421036187 0.97125323319258 0.44333454708859 32.065 > 54 *55 S 0.64382505846020 0.83973786872004 0.72786984830426 32.065 > 55 56 S 0.09042176958894 0.55784132944596 0.29793765879186 32.065 > 56 57 S 0.90152793109841 0.35648207810743 0.89610040360668 32.065 > 57 58 S 0.35617494153980 0.16026213127996 0.27213015169574 32.065 > 58 59 S 0.69774578963814 0.47125323319258 0.05666545291140 32.065 > 59 60 S 0.52640971983425 0.62458592257584 0.38957451777317 32.065 > 60 61 S 0.47359028016575 0.12458592257584 0.11042548222683 32.065 > 61 62 S 0.64382505846020 0.66026213127996 0.22786984830426 32.065 > 62 63 S 0.34899173174203 0.18711332153189 0.94022156416489 32.065 > 63 64 S 0.65100826825797 0.68711332153189 0.55977843583511 32.065 > 64 65 S 0.31335068501088 0.87101702395525 0.24280449512799 32.065 > 65 66 S 0.09847206890159 0.64351792189256 0.10389959639332 32.065 > 66 67 S 0.15815461766597 0.88731284853999 0.01406557281930 32.065 > 67 68 S 0.68664931498912 0.12898297604475 0.75719550487201 32.065 > 68 69 S 0.12337398886575 0.34811190961237 0.13520809051672 32.065 > 69 70 S 0.90152793109841 0.14351792189256 0.39610040360668 32.065 > 70 71 S 0.35617494153980 0.33973786872004 0.77213015169574 32.065 > 71 72 S 0.31335068501088 0.62898297604475 0.74280449512799 32.065 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.848002520226560 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): *1 Ag 0.30638123238189 0.92702415276104 0.16993928395892 107.868 > 1 2 Ag 0.80638123238189 0.92702415276104 0.16993928395892 107.868 > 1 *3 Ag 0.01228725430571 0.22981379701606 0.78961910071478 107.868 > 2 4 Ag 0.51228725430571 0.22981379701606 0.78961910071478 107.868 > 2 *5 Ag 0.04235659544231 0.29414138184336 0.01229740667091 107.868 > 3 6 Ag 0.54235659544231 0.29414138184336 0.01229740667091 107.868 > 3 *7 Ag 0.23954682935349 0.62617881065299 0.10414158237118 107.868 > 4 8 Ag 0.73954682935350 0.62617881065299 0.10414158237118 107.868 > 4 *9 Ag 0.25984472163444 0.33794815310816 0.13325384169104 107.868 > 5 10 Ag 0.75984472163444 0.33794815310816 0.13325384169104 107.868 > 5 11 Ag 0.19361876761811 0.07297584723896 0.83006071604108 107.868 > 6 12 Ag 0.69361876761811 0.07297584723896 0.83006071604108 107.868 > 6 13 Ag 0.01228725430571 0.27018620298395 0.28961910071477 107.868 > 7 14 Ag 0.51228725430571 0.27018620298395 0.28961910071477 107.868 > 7 *15 Ag 0.45452469967992 0.93173036358127 0.90809874341080 107.868 > 8 16 Ag 0.95452469967993 0.93173036358127 0.90809874341080 107.868 > 8 17 Ag 0.48771274569429 0.77018620298395 0.21038089928522 107.868 > 9 18 Ag 0.98771274569429 0.77018620298395 0.21038089928522 107.868 > 9 19 Ag 0.19361876761811 0.42702415276104 0.33006071604108 107.868 > 10 20 Ag 0.69361876761811 0.42702415276104 0.33006071604108 107.868 > 10 21 Ag 0.24015527836556 0.83794815310816 0.36674615830896 107.868 > 11 22 Ag 0.74015527836556 0.83794815310816 0.36674615830896 107.868 > 11 23 Ag 0.48771274569429 0.72981379701605 0.71038089928522 107.868 > 12 24 Ag 0.98771274569429 0.72981379701605 0.71038089928522 107.868 > 12 25 Ag 0.04235659544231 0.20585861815664 0.51229740667090 107.868 > 13 26 Ag 0.54235659544231 0.20585861815664 0.51229740667090 107.868 > 13 27 Ag 0.45764340455769 0.79414138184336 0.48770259332909 107.868 > 14 28 Ag 0.95764340455769 0.79414138184336 0.48770259332909 107.868 > 14 29 Ag 0.26045317064650 0.37382118934701 0.89585841762882 107.868 > 15 30 Ag 0.76045317064650 0.37382118934701 0.89585841762882 107.868 > 15 31 Ag 0.04547530032007 0.06826963641873 0.09190125658920 107.868 > 16 32 Ag 0.54547530032007 0.06826963641873 0.09190125658920 107.868 > 16 33 Ag 0.25984472163444 0.16205184689184 0.63325384169104 107.868 > 17 34 Ag 0.75984472163444 0.16205184689184 0.63325384169104 107.868 > 17 35 Ag 0.26045317064650 0.12617881065299 0.39585841762882 107.868 > 18 36 Ag 0.76045317064650 0.12617881065299 0.39585841762882 107.868 > 18 37 Ag 0.23954682935349 0.87382118934701 0.60414158237118 107.868 > 19 38 Ag 0.73954682935350 0.87382118934701 0.60414158237118 107.868 > 19 39 Ag 0.04547530032007 0.43173036358127 0.59190125658920 107.868 > 20 40 Ag 0.54547530032007 0.43173036358127 0.59190125658920 107.868 > 20 41 Ag 0.45764340455769 0.70585861815664 0.98770259332910 107.868 > 21 42 Ag 0.95764340455769 0.70585861815664 0.98770259332910 107.868 > 21 43 Ag 0.24015527836556 0.66205184689184 0.86674615830896 107.868 > 22 44 Ag 0.74015527836556 0.66205184689184 0.86674615830896 107.868 > 22 45 Ag 0.45452469967992 0.56826963641873 0.40809874341080 107.868 > 23 46 Ag 0.95452469967993 0.56826963641873 0.40809874341080 107.868 > 23 47 Ag 0.30638123238189 0.57297584723896 0.66993928395892 107.868 > 24 48 Ag 0.80638123238189 0.57297584723896 0.66993928395892 107.868 > 24 *49 P 0.27059889917811 0.09463580032633 0.00882538423500 30.974 > 25 50 P 0.77059889917811 0.09463580032633 0.00882538423500 30.974 > 25 *51 P 0.47526992609618 0.00649881284996 0.62533699696695 30.974 > 26 52 P 0.97526992609618 0.00649881284996 0.62533699696695 30.974 > 26 53 P 0.22940110082189 0.59463580032633 0.49117461576500 30.974 > 27 54 P 0.72940110082189 0.59463580032633 0.49117461576500 30.974 > 27 *55 P 0.41683615221730 0.52149095314475 0.23372193954506 30.974 > 28 56 P 0.91683615221730 0.52149095314475 0.23372193954506 30.974 > 28 57 P 0.08316384778270 0.02149095314475 0.26627806045494 30.974 > 29 58 P 0.58316384778270 0.02149095314475 0.26627806045494 30.974 > 29 59 P 0.27059889917811 0.40536419967367 0.50882538423500 30.974 > 30 60 P 0.77059889917811 0.40536419967367 0.50882538423500 30.974 > 30 61 P 0.02473007390382 0.50649881284997 0.87466300303305 30.974 > 31 62 P 0.52473007390382 0.50649881284997 0.87466300303305 30.974 > 31 63 P 0.41683615221730 0.97850904685525 0.73372193954506 30.974 > 32 64 P 0.91683615221730 0.97850904685525 0.73372193954506 30.974 > 32 65 P 0.08316384778270 0.47850904685525 0.76627806045494 30.974 > 33 66 P 0.58316384778270 0.47850904685525 0.76627806045494 30.974 > 33 67 P 0.22940110082189 0.90536419967367 0.99117461576500 30.974 > 34 68 P 0.72940110082189 0.90536419967367 0.99117461576500 30.974 > 34 69 P 0.47526992609618 0.49350118715003 0.12533699696695 30.974 > 35 70 P 0.97526992609618 0.49350118715003 0.12533699696695 30.974 > 35 71 P 0.02473007390382 0.99350118715003 0.37466300303305 30.974 > 36 72 P 0.52473007390382 0.99350118715003 0.37466300303305 30.974 > 36 *73 S 0.45478911520553 0.44215867055404 0.70206234120814 32.065 > 37 74 S 0.95478911520553 0.44215867055404 0.70206234120814 32.065 > 37 *75 S 0.42092269116702 0.38731284853999 0.48593442718070 32.065 > 38 76 S 0.92092269116702 0.38731284853999 0.48593442718070 32.065 > 38 77 S 0.07907730883298 0.61268715146001 0.51406557281930 32.065 > 39 78 S 0.57907730883298 0.61268715146001 0.51406557281930 32.065 > 39 *79 S 0.04923603445080 0.85648207810744 0.60389959639332 32.065 > 40 80 S 0.54923603445080 0.85648207810744 0.60389959639332 32.065 > 40 81 S 0.04521088479447 0.94215867055404 0.79793765879186 32.065 > 41 82 S 0.54521088479447 0.94215867055404 0.79793765879186 32.065 > 41 *83 S 0.23679514008287 0.37541407742416 0.61042548222683 32.065 > 42 84 S 0.73679514008287 0.37541407742416 0.61042548222683 32.065 > 42 *85 S 0.34332465749456 0.37101702395525 0.25719550487201 32.065 > 43 86 S 0.84332465749456 0.37101702395525 0.25719550487201 32.065 > 43 87 S 0.45478911520553 0.05784132944596 0.20206234120814 32.065 > 44 88 S 0.95478911520553 0.05784132944596 0.20206234120814 32.065 > 44 *89 S 0.17449586587102 0.31288667846811 0.44022156416489 32.065 > 45 90 S 0.67449586587102 0.31288667846811 0.44022156416489 32.065 > 45 *91 S 0.34887289481907 0.02874676680742 0.55666545291141 32.065 > 46 92 S 0.84887289481907 0.02874676680742 0.55666545291141 32.065 > 46 93 S 0.42092269116702 0.11268715146001 0.98593442718070 32.065 > 47 94 S 0.92092269116702 0.11268715146001 0.98593442718070 32.065 > 47 95 S 0.32550413412898 0.81288667846811 0.05977843583512 32.065 > 48 96 S 0.82550413412898 0.81288667846811 0.05977843583512 32.065 > 48 *97 S 0.06168699443287 0.15188809038763 0.63520809051672 32.065 > 49 98 S 0.56168699443287 0.15188809038763 0.63520809051672 32.065 > 49 99 S 0.43831300556713 0.65188809038763 0.86479190948328 32.065 > 50 100 S 0.93831300556713 0.65188809038763 0.86479190948328 32.065 > 50 101 S 0.43831300556713 0.84811190961237 0.36479190948328 32.065 > 51 102 S 0.93831300556713 0.84811190961237 0.36479190948328 32.065 > 51 103 S 0.15112710518093 0.52874676680742 0.94333454708859 32.065 > 52 104 S 0.65112710518093 0.52874676680742 0.94333454708859 32.065 > 52 105 S 0.26320485991713 0.87541407742416 0.88957451777317 32.065 > 53 106 S 0.76320485991713 0.87541407742416 0.88957451777317 32.065 > 53 107 S 0.15112710518093 0.97125323319258 0.44333454708859 32.065 > 54 108 S 0.65112710518093 0.97125323319258 0.44333454708859 32.065 > 54 *109 S 0.32191252923010 0.83973786872004 0.72786984830426 32.065 > 55 110 S 0.82191252923010 0.83973786872004 0.72786984830426 32.065 > 55 111 S 0.04521088479447 0.55784132944596 0.29793765879186 32.065 > 56 112 S 0.54521088479447 0.55784132944596 0.29793765879186 32.065 > 56 113 S 0.45076396554920 0.35648207810743 0.89610040360668 32.065 > 57 114 S 0.95076396554920 0.35648207810743 0.89610040360668 32.065 > 57 115 S 0.17808747076990 0.16026213127996 0.27213015169574 32.065 > 58 116 S 0.67808747076990 0.16026213127996 0.27213015169574 32.065 > 58 117 S 0.34887289481907 0.47125323319258 0.05666545291140 32.065 > 59 118 S 0.84887289481907 0.47125323319258 0.05666545291140 32.065 > 59 119 S 0.26320485991713 0.62458592257584 0.38957451777317 32.065 > 60 120 S 0.76320485991713 0.62458592257584 0.38957451777317 32.065 > 60 121 S 0.23679514008287 0.12458592257584 0.11042548222683 32.065 > 61 122 S 0.73679514008287 0.12458592257584 0.11042548222683 32.065 > 61 123 S 0.32191252923010 0.66026213127996 0.22786984830426 32.065 > 62 124 S 0.82191252923010 0.66026213127996 0.22786984830426 32.065 > 62 125 S 0.17449586587102 0.18711332153189 0.94022156416489 32.065 > 63 126 S 0.67449586587102 0.18711332153189 0.94022156416489 32.065 > 63 127 S 0.32550413412898 0.68711332153189 0.55977843583511 32.065 > 64 128 S 0.82550413412898 0.68711332153189 0.55977843583511 32.065 > 64 129 S 0.15667534250544 0.87101702395525 0.24280449512799 32.065 > 65 130 S 0.65667534250544 0.87101702395525 0.24280449512799 32.065 > 65 131 S 0.04923603445080 0.64351792189256 0.10389959639332 32.065 > 66 132 S 0.54923603445080 0.64351792189256 0.10389959639332 32.065 > 66 133 S 0.07907730883298 0.88731284853999 0.01406557281930 32.065 > 67 134 S 0.57907730883298 0.88731284853999 0.01406557281930 32.065 > 67 135 S 0.34332465749456 0.12898297604475 0.75719550487201 32.065 > 68 136 S 0.84332465749456 0.12898297604475 0.75719550487201 32.065 > 68 137 S 0.06168699443287 0.34811190961237 0.13520809051672 32.065 > 69 138 S 0.56168699443287 0.34811190961237 0.13520809051672 32.065 > 69 139 S 0.45076396554920 0.14351792189256 0.39610040360668 32.065 > 70 140 S 0.95076396554920 0.14351792189256 0.39610040360668 32.065 > 70 141 S 0.17808747076990 0.33973786872004 0.77213015169574 32.065 > 71 142 S 0.67808747076990 0.33973786872004 0.77213015169574 32.065 > 71 143 S 0.15667534250544 0.62898297604475 0.74280449512799 32.065 > 72 144 S 0.65667534250544 0.62898297604475 0.74280449512799 32.065 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1688445 0.0000000 0.1613812 0.0000000 8.0819023 0.0000000 0.1613725 0.0000000 7.7739836 -------------------------- Born effective charges -------------------------- 1 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 2 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 3 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 4 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 5 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 6 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 7 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 8 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 9 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 10 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 11 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 12 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 13 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 14 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 15 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 16 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 17 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 18 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 19 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 20 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 21 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 22 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 23 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 24 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 25 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 26 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 27 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 28 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 29 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 30 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 31 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 32 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 33 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 34 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 35 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 36 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 37 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 38 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 39 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 40 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 41 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 42 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 43 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 44 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 45 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 46 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 47 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 48 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 49 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 50 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 51 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 52 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 53 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 54 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 55 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 56 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 57 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 58 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 59 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 60 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 61 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 62 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 63 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 64 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 65 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 66 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 67 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 68 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 69 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 70 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 71 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 72 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 78), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 216), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 78), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 216), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 4.158 Solver_block: 200 / 2160 - Time: 3.600 Solver_block: 300 / 2160 - Time: 3.608 Solver_block: 400 / 2160 - Time: 3.607 Solver_block: 500 / 2160 - Time: 3.610 Solver_block: 600 / 2160 - Time: 3.614 Solver_block: 700 / 2160 - Time: 3.618 Solver_block: 800 / 2160 - Time: 3.614 Solver_block: 900 / 2160 - Time: 3.617 Solver_block: 1000 / 2160 - Time: 3.612 Solver_block: 1100 / 2160 - Time: 3.619 Solver_block: 1200 / 2160 - Time: 3.615 Solver_block: 1300 / 2160 - Time: 3.612 Solver_block: 1400 / 2160 - Time: 3.613 Solver_block: 1500 / 2160 - Time: 3.615 Solver_block: 1600 / 2160 - Time: 3.623 Solver_block: 1700 / 2160 - Time: 3.607 Solver_block: 1800 / 2160 - Time: 3.606 Solver_block: 1900 / 2160 - Time: 3.607 Solver_block: 2000 / 2160 - Time: 3.617 Solver_block: 2100 / 2160 - Time: 3.617 Solver_block: 2160 / 2160 - Time: 2.331 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 81.250 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 78), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 216), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 78), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 216), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:13:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:13:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424001260113280 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): 1 Ag 0.61276246476379 0.92702415276104 0.16993928395892 107.868 2 Ag 0.02457450861142 0.22981379701606 0.78961910071478 107.868 3 Ag 0.08471319088462 0.29414138184336 0.01229740667091 107.868 4 Ag 0.47909365870699 0.62617881065299 0.10414158237118 107.868 5 Ag 0.51968944326887 0.33794815310816 0.13325384169104 107.868 6 Ag 0.38723753523621 0.07297584723896 0.83006071604108 107.868 7 Ag 0.02457450861142 0.27018620298395 0.28961910071477 107.868 8 Ag 0.90904939935985 0.93173036358127 0.90809874341080 107.868 9 Ag 0.97542549138858 0.77018620298395 0.21038089928522 107.868 10 Ag 0.38723753523621 0.42702415276104 0.33006071604108 107.868 11 Ag 0.48031055673113 0.83794815310816 0.36674615830896 107.868 12 Ag 0.97542549138858 0.72981379701605 0.71038089928522 107.868 13 Ag 0.08471319088462 0.20585861815664 0.51229740667090 107.868 14 Ag 0.91528680911538 0.79414138184336 0.48770259332909 107.868 15 Ag 0.52090634129301 0.37382118934701 0.89585841762882 107.868 16 Ag 0.09095060064015 0.06826963641873 0.09190125658920 107.868 17 Ag 0.51968944326887 0.16205184689184 0.63325384169104 107.868 18 Ag 0.52090634129301 0.12617881065299 0.39585841762882 107.868 19 Ag 0.47909365870699 0.87382118934701 0.60414158237118 107.868 20 Ag 0.09095060064015 0.43173036358127 0.59190125658920 107.868 21 Ag 0.91528680911538 0.70585861815664 0.98770259332910 107.868 22 Ag 0.48031055673113 0.66205184689184 0.86674615830896 107.868 23 Ag 0.90904939935985 0.56826963641873 0.40809874341080 107.868 24 Ag 0.61276246476379 0.57297584723896 0.66993928395892 107.868 25 P 0.54119779835622 0.09463580032633 0.00882538423500 30.974 26 P 0.95053985219236 0.00649881284996 0.62533699696695 30.974 27 P 0.45880220164378 0.59463580032633 0.49117461576500 30.974 28 P 0.83367230443460 0.52149095314475 0.23372193954506 30.974 29 P 0.16632769556540 0.02149095314475 0.26627806045494 30.974 30 P 0.54119779835622 0.40536419967367 0.50882538423500 30.974 31 P 0.04946014780765 0.50649881284997 0.87466300303305 30.974 32 P 0.83367230443460 0.97850904685525 0.73372193954506 30.974 33 P 0.16632769556540 0.47850904685525 0.76627806045494 30.974 34 P 0.45880220164378 0.90536419967367 0.99117461576500 30.974 35 P 0.95053985219236 0.49350118715003 0.12533699696695 30.974 36 P 0.04946014780765 0.99350118715003 0.37466300303305 30.974 37 S 0.90957823041106 0.44215867055404 0.70206234120814 32.065 38 S 0.84184538233403 0.38731284853999 0.48593442718070 32.065 39 S 0.15815461766597 0.61268715146001 0.51406557281930 32.065 40 S 0.09847206890159 0.85648207810744 0.60389959639332 32.065 41 S 0.09042176958894 0.94215867055404 0.79793765879186 32.065 42 S 0.47359028016575 0.37541407742416 0.61042548222683 32.065 43 S 0.68664931498912 0.37101702395525 0.25719550487201 32.065 44 S 0.90957823041106 0.05784132944596 0.20206234120814 32.065 45 S 0.34899173174203 0.31288667846811 0.44022156416489 32.065 46 S 0.69774578963814 0.02874676680742 0.55666545291141 32.065 47 S 0.84184538233403 0.11268715146001 0.98593442718070 32.065 48 S 0.65100826825797 0.81288667846811 0.05977843583512 32.065 49 S 0.12337398886575 0.15188809038763 0.63520809051672 32.065 50 S 0.87662601113425 0.65188809038763 0.86479190948328 32.065 51 S 0.87662601113425 0.84811190961237 0.36479190948328 32.065 52 S 0.30225421036187 0.52874676680742 0.94333454708859 32.065 53 S 0.52640971983425 0.87541407742416 0.88957451777317 32.065 54 S 0.30225421036187 0.97125323319258 0.44333454708859 32.065 55 S 0.64382505846020 0.83973786872004 0.72786984830426 32.065 56 S 0.09042176958894 0.55784132944596 0.29793765879186 32.065 57 S 0.90152793109841 0.35648207810743 0.89610040360668 32.065 58 S 0.35617494153980 0.16026213127996 0.27213015169574 32.065 59 S 0.69774578963814 0.47125323319258 0.05666545291140 32.065 60 S 0.52640971983425 0.62458592257584 0.38957451777317 32.065 61 S 0.47359028016575 0.12458592257584 0.11042548222683 32.065 62 S 0.64382505846020 0.66026213127996 0.22786984830426 32.065 63 S 0.34899173174203 0.18711332153189 0.94022156416489 32.065 64 S 0.65100826825797 0.68711332153189 0.55977843583511 32.065 65 S 0.31335068501088 0.87101702395525 0.24280449512799 32.065 66 S 0.09847206890159 0.64351792189256 0.10389959639332 32.065 67 S 0.15815461766597 0.88731284853999 0.01406557281930 32.065 68 S 0.68664931498912 0.12898297604475 0.75719550487201 32.065 69 S 0.12337398886575 0.34811190961237 0.13520809051672 32.065 70 S 0.90152793109841 0.14351792189256 0.39610040360668 32.065 71 S 0.35617494153980 0.33973786872004 0.77213015169574 32.065 72 S 0.31335068501088 0.62898297604475 0.74280449512799 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.848002520226560 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): 1 Ag 0.30638123238189 0.92702415276104 0.16993928395892 107.868 > 1 2 Ag 0.80638123238189 0.92702415276104 0.16993928395892 107.868 > 1 3 Ag 0.01228725430571 0.22981379701606 0.78961910071478 107.868 > 3 4 Ag 0.51228725430571 0.22981379701606 0.78961910071478 107.868 > 3 5 Ag 0.04235659544231 0.29414138184336 0.01229740667091 107.868 > 5 6 Ag 0.54235659544231 0.29414138184336 0.01229740667091 107.868 > 5 7 Ag 0.23954682935349 0.62617881065299 0.10414158237118 107.868 > 7 8 Ag 0.73954682935350 0.62617881065299 0.10414158237118 107.868 > 7 9 Ag 0.25984472163444 0.33794815310816 0.13325384169104 107.868 > 9 10 Ag 0.75984472163444 0.33794815310816 0.13325384169104 107.868 > 9 11 Ag 0.19361876761811 0.07297584723896 0.83006071604108 107.868 > 11 12 Ag 0.69361876761811 0.07297584723896 0.83006071604108 107.868 > 11 13 Ag 0.01228725430571 0.27018620298395 0.28961910071477 107.868 > 13 14 Ag 0.51228725430571 0.27018620298395 0.28961910071477 107.868 > 13 15 Ag 0.45452469967992 0.93173036358127 0.90809874341080 107.868 > 15 16 Ag 0.95452469967993 0.93173036358127 0.90809874341080 107.868 > 15 17 Ag 0.48771274569429 0.77018620298395 0.21038089928522 107.868 > 17 18 Ag 0.98771274569429 0.77018620298395 0.21038089928522 107.868 > 17 19 Ag 0.19361876761811 0.42702415276104 0.33006071604108 107.868 > 19 20 Ag 0.69361876761811 0.42702415276104 0.33006071604108 107.868 > 19 21 Ag 0.24015527836556 0.83794815310816 0.36674615830896 107.868 > 21 22 Ag 0.74015527836556 0.83794815310816 0.36674615830896 107.868 > 21 23 Ag 0.48771274569429 0.72981379701605 0.71038089928522 107.868 > 23 24 Ag 0.98771274569429 0.72981379701605 0.71038089928522 107.868 > 23 25 Ag 0.04235659544231 0.20585861815664 0.51229740667090 107.868 > 25 26 Ag 0.54235659544231 0.20585861815664 0.51229740667090 107.868 > 25 27 Ag 0.45764340455769 0.79414138184336 0.48770259332909 107.868 > 27 28 Ag 0.95764340455769 0.79414138184336 0.48770259332909 107.868 > 27 29 Ag 0.26045317064650 0.37382118934701 0.89585841762882 107.868 > 29 30 Ag 0.76045317064650 0.37382118934701 0.89585841762882 107.868 > 29 31 Ag 0.04547530032007 0.06826963641873 0.09190125658920 107.868 > 31 32 Ag 0.54547530032007 0.06826963641873 0.09190125658920 107.868 > 31 33 Ag 0.25984472163444 0.16205184689184 0.63325384169104 107.868 > 33 34 Ag 0.75984472163444 0.16205184689184 0.63325384169104 107.868 > 33 35 Ag 0.26045317064650 0.12617881065299 0.39585841762882 107.868 > 35 36 Ag 0.76045317064650 0.12617881065299 0.39585841762882 107.868 > 35 37 Ag 0.23954682935349 0.87382118934701 0.60414158237118 107.868 > 37 38 Ag 0.73954682935350 0.87382118934701 0.60414158237118 107.868 > 37 39 Ag 0.04547530032007 0.43173036358127 0.59190125658920 107.868 > 39 40 Ag 0.54547530032007 0.43173036358127 0.59190125658920 107.868 > 39 41 Ag 0.45764340455769 0.70585861815664 0.98770259332910 107.868 > 41 42 Ag 0.95764340455769 0.70585861815664 0.98770259332910 107.868 > 41 43 Ag 0.24015527836556 0.66205184689184 0.86674615830896 107.868 > 43 44 Ag 0.74015527836556 0.66205184689184 0.86674615830896 107.868 > 43 45 Ag 0.45452469967992 0.56826963641873 0.40809874341080 107.868 > 45 46 Ag 0.95452469967993 0.56826963641873 0.40809874341080 107.868 > 45 47 Ag 0.30638123238189 0.57297584723896 0.66993928395892 107.868 > 47 48 Ag 0.80638123238189 0.57297584723896 0.66993928395892 107.868 > 47 49 P 0.27059889917811 0.09463580032633 0.00882538423500 30.974 > 49 50 P 0.77059889917811 0.09463580032633 0.00882538423500 30.974 > 49 51 P 0.47526992609618 0.00649881284996 0.62533699696695 30.974 > 51 52 P 0.97526992609618 0.00649881284996 0.62533699696695 30.974 > 51 53 P 0.22940110082189 0.59463580032633 0.49117461576500 30.974 > 53 54 P 0.72940110082189 0.59463580032633 0.49117461576500 30.974 > 53 55 P 0.41683615221730 0.52149095314475 0.23372193954506 30.974 > 55 56 P 0.91683615221730 0.52149095314475 0.23372193954506 30.974 > 55 57 P 0.08316384778270 0.02149095314475 0.26627806045494 30.974 > 57 58 P 0.58316384778270 0.02149095314475 0.26627806045494 30.974 > 57 59 P 0.27059889917811 0.40536419967367 0.50882538423500 30.974 > 59 60 P 0.77059889917811 0.40536419967367 0.50882538423500 30.974 > 59 61 P 0.02473007390382 0.50649881284997 0.87466300303305 30.974 > 61 62 P 0.52473007390382 0.50649881284997 0.87466300303305 30.974 > 61 63 P 0.41683615221730 0.97850904685525 0.73372193954506 30.974 > 63 64 P 0.91683615221730 0.97850904685525 0.73372193954506 30.974 > 63 65 P 0.08316384778270 0.47850904685525 0.76627806045494 30.974 > 65 66 P 0.58316384778270 0.47850904685525 0.76627806045494 30.974 > 65 67 P 0.22940110082189 0.90536419967367 0.99117461576500 30.974 > 67 68 P 0.72940110082189 0.90536419967367 0.99117461576500 30.974 > 67 69 P 0.47526992609618 0.49350118715003 0.12533699696695 30.974 > 69 70 P 0.97526992609618 0.49350118715003 0.12533699696695 30.974 > 69 71 P 0.02473007390382 0.99350118715003 0.37466300303305 30.974 > 71 72 P 0.52473007390382 0.99350118715003 0.37466300303305 30.974 > 71 73 S 0.45478911520553 0.44215867055404 0.70206234120814 32.065 > 73 74 S 0.95478911520553 0.44215867055404 0.70206234120814 32.065 > 73 75 S 0.42092269116702 0.38731284853999 0.48593442718070 32.065 > 75 76 S 0.92092269116702 0.38731284853999 0.48593442718070 32.065 > 75 77 S 0.07907730883298 0.61268715146001 0.51406557281930 32.065 > 77 78 S 0.57907730883298 0.61268715146001 0.51406557281930 32.065 > 77 79 S 0.04923603445080 0.85648207810744 0.60389959639332 32.065 > 79 80 S 0.54923603445080 0.85648207810744 0.60389959639332 32.065 > 79 81 S 0.04521088479447 0.94215867055404 0.79793765879186 32.065 > 81 82 S 0.54521088479447 0.94215867055404 0.79793765879186 32.065 > 81 83 S 0.23679514008287 0.37541407742416 0.61042548222683 32.065 > 83 84 S 0.73679514008287 0.37541407742416 0.61042548222683 32.065 > 83 85 S 0.34332465749456 0.37101702395525 0.25719550487201 32.065 > 85 86 S 0.84332465749456 0.37101702395525 0.25719550487201 32.065 > 85 87 S 0.45478911520553 0.05784132944596 0.20206234120814 32.065 > 87 88 S 0.95478911520553 0.05784132944596 0.20206234120814 32.065 > 87 89 S 0.17449586587102 0.31288667846811 0.44022156416489 32.065 > 89 90 S 0.67449586587102 0.31288667846811 0.44022156416489 32.065 > 89 91 S 0.34887289481907 0.02874676680742 0.55666545291141 32.065 > 91 92 S 0.84887289481907 0.02874676680742 0.55666545291141 32.065 > 91 93 S 0.42092269116702 0.11268715146001 0.98593442718070 32.065 > 93 94 S 0.92092269116702 0.11268715146001 0.98593442718070 32.065 > 93 95 S 0.32550413412898 0.81288667846811 0.05977843583512 32.065 > 95 96 S 0.82550413412898 0.81288667846811 0.05977843583512 32.065 > 95 97 S 0.06168699443287 0.15188809038763 0.63520809051672 32.065 > 97 98 S 0.56168699443287 0.15188809038763 0.63520809051672 32.065 > 97 99 S 0.43831300556713 0.65188809038763 0.86479190948328 32.065 > 99 100 S 0.93831300556713 0.65188809038763 0.86479190948328 32.065 > 99 101 S 0.43831300556713 0.84811190961237 0.36479190948328 32.065 > 101 102 S 0.93831300556713 0.84811190961237 0.36479190948328 32.065 > 101 103 S 0.15112710518093 0.52874676680742 0.94333454708859 32.065 > 103 104 S 0.65112710518093 0.52874676680742 0.94333454708859 32.065 > 103 105 S 0.26320485991713 0.87541407742416 0.88957451777317 32.065 > 105 106 S 0.76320485991713 0.87541407742416 0.88957451777317 32.065 > 105 107 S 0.15112710518093 0.97125323319258 0.44333454708859 32.065 > 107 108 S 0.65112710518093 0.97125323319258 0.44333454708859 32.065 > 107 109 S 0.32191252923010 0.83973786872004 0.72786984830426 32.065 > 109 110 S 0.82191252923010 0.83973786872004 0.72786984830426 32.065 > 109 111 S 0.04521088479447 0.55784132944596 0.29793765879186 32.065 > 111 112 S 0.54521088479447 0.55784132944596 0.29793765879186 32.065 > 111 113 S 0.45076396554920 0.35648207810743 0.89610040360668 32.065 > 113 114 S 0.95076396554920 0.35648207810743 0.89610040360668 32.065 > 113 115 S 0.17808747076990 0.16026213127996 0.27213015169574 32.065 > 115 116 S 0.67808747076990 0.16026213127996 0.27213015169574 32.065 > 115 117 S 0.34887289481907 0.47125323319258 0.05666545291140 32.065 > 117 118 S 0.84887289481907 0.47125323319258 0.05666545291140 32.065 > 117 119 S 0.26320485991713 0.62458592257584 0.38957451777317 32.065 > 119 120 S 0.76320485991713 0.62458592257584 0.38957451777317 32.065 > 119 121 S 0.23679514008287 0.12458592257584 0.11042548222683 32.065 > 121 122 S 0.73679514008287 0.12458592257584 0.11042548222683 32.065 > 121 123 S 0.32191252923010 0.66026213127996 0.22786984830426 32.065 > 123 124 S 0.82191252923010 0.66026213127996 0.22786984830426 32.065 > 123 125 S 0.17449586587102 0.18711332153189 0.94022156416489 32.065 > 125 126 S 0.67449586587102 0.18711332153189 0.94022156416489 32.065 > 125 127 S 0.32550413412898 0.68711332153189 0.55977843583511 32.065 > 127 128 S 0.82550413412898 0.68711332153189 0.55977843583511 32.065 > 127 129 S 0.15667534250544 0.87101702395525 0.24280449512799 32.065 > 129 130 S 0.65667534250544 0.87101702395525 0.24280449512799 32.065 > 129 131 S 0.04923603445080 0.64351792189256 0.10389959639332 32.065 > 131 132 S 0.54923603445080 0.64351792189256 0.10389959639332 32.065 > 131 133 S 0.07907730883298 0.88731284853999 0.01406557281930 32.065 > 133 134 S 0.57907730883298 0.88731284853999 0.01406557281930 32.065 > 133 135 S 0.34332465749456 0.12898297604475 0.75719550487201 32.065 > 135 136 S 0.84332465749456 0.12898297604475 0.75719550487201 32.065 > 135 137 S 0.06168699443287 0.34811190961237 0.13520809051672 32.065 > 137 138 S 0.56168699443287 0.34811190961237 0.13520809051672 32.065 > 137 139 S 0.45076396554920 0.14351792189256 0.39610040360668 32.065 > 139 140 S 0.95076396554920 0.14351792189256 0.39610040360668 32.065 > 139 141 S 0.17808747076990 0.33973786872004 0.77213015169574 32.065 > 141 142 S 0.67808747076990 0.33973786872004 0.77213015169574 32.065 > 141 143 S 0.15667534250544 0.62898297604475 0.74280449512799 32.065 > 143 144 S 0.65667534250544 0.62898297604475 0.74280449512799 32.065 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1688445 0.0000000 0.1613812 0.0000000 8.0819023 0.0000000 0.1613725 0.0000000 7.7739836 -------------------------- Born effective charges -------------------------- 1 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 2 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 3 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 4 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 5 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 6 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 7 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 8 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 9 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 10 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 11 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 12 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 13 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 14 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 15 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 16 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 17 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 18 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 19 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 20 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 21 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 22 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 23 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 24 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 25 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 26 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 27 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 28 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 29 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 30 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 31 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 32 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 33 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 34 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 35 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 36 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 37 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 38 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 39 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 40 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 41 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 42 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 43 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 44 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 45 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 46 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 47 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 48 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 49 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 50 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 51 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 52 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 53 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 54 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 55 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 56 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 57 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 58 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 59 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 60 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 61 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 62 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 63 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 64 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 65 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 66 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 67 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 68 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 69 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 70 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 71 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 72 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 15, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 75, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 83, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 85, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 91, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 109, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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 14:15:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:15:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424001260113280 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): 1 Ag 0.61276246476379 0.92702415276104 0.16993928395892 107.868 2 Ag 0.02457450861142 0.22981379701606 0.78961910071478 107.868 3 Ag 0.08471319088462 0.29414138184336 0.01229740667091 107.868 4 Ag 0.47909365870699 0.62617881065299 0.10414158237118 107.868 5 Ag 0.51968944326887 0.33794815310816 0.13325384169104 107.868 6 Ag 0.38723753523621 0.07297584723896 0.83006071604108 107.868 7 Ag 0.02457450861142 0.27018620298395 0.28961910071477 107.868 8 Ag 0.90904939935985 0.93173036358127 0.90809874341080 107.868 9 Ag 0.97542549138858 0.77018620298395 0.21038089928522 107.868 10 Ag 0.38723753523621 0.42702415276104 0.33006071604108 107.868 11 Ag 0.48031055673113 0.83794815310816 0.36674615830896 107.868 12 Ag 0.97542549138858 0.72981379701605 0.71038089928522 107.868 13 Ag 0.08471319088462 0.20585861815664 0.51229740667090 107.868 14 Ag 0.91528680911538 0.79414138184336 0.48770259332909 107.868 15 Ag 0.52090634129301 0.37382118934701 0.89585841762882 107.868 16 Ag 0.09095060064015 0.06826963641873 0.09190125658920 107.868 17 Ag 0.51968944326887 0.16205184689184 0.63325384169104 107.868 18 Ag 0.52090634129301 0.12617881065299 0.39585841762882 107.868 19 Ag 0.47909365870699 0.87382118934701 0.60414158237118 107.868 20 Ag 0.09095060064015 0.43173036358127 0.59190125658920 107.868 21 Ag 0.91528680911538 0.70585861815664 0.98770259332910 107.868 22 Ag 0.48031055673113 0.66205184689184 0.86674615830896 107.868 23 Ag 0.90904939935985 0.56826963641873 0.40809874341080 107.868 24 Ag 0.61276246476379 0.57297584723896 0.66993928395892 107.868 25 P 0.54119779835622 0.09463580032633 0.00882538423500 30.974 26 P 0.95053985219236 0.00649881284996 0.62533699696695 30.974 27 P 0.45880220164378 0.59463580032633 0.49117461576500 30.974 28 P 0.83367230443460 0.52149095314475 0.23372193954506 30.974 29 P 0.16632769556540 0.02149095314475 0.26627806045494 30.974 30 P 0.54119779835622 0.40536419967367 0.50882538423500 30.974 31 P 0.04946014780765 0.50649881284997 0.87466300303305 30.974 32 P 0.83367230443460 0.97850904685525 0.73372193954506 30.974 33 P 0.16632769556540 0.47850904685525 0.76627806045494 30.974 34 P 0.45880220164378 0.90536419967367 0.99117461576500 30.974 35 P 0.95053985219236 0.49350118715003 0.12533699696695 30.974 36 P 0.04946014780765 0.99350118715003 0.37466300303305 30.974 37 S 0.90957823041106 0.44215867055404 0.70206234120814 32.065 38 S 0.84184538233403 0.38731284853999 0.48593442718070 32.065 39 S 0.15815461766597 0.61268715146001 0.51406557281930 32.065 40 S 0.09847206890159 0.85648207810744 0.60389959639332 32.065 41 S 0.09042176958894 0.94215867055404 0.79793765879186 32.065 42 S 0.47359028016575 0.37541407742416 0.61042548222683 32.065 43 S 0.68664931498912 0.37101702395525 0.25719550487201 32.065 44 S 0.90957823041106 0.05784132944596 0.20206234120814 32.065 45 S 0.34899173174203 0.31288667846811 0.44022156416489 32.065 46 S 0.69774578963814 0.02874676680742 0.55666545291141 32.065 47 S 0.84184538233403 0.11268715146001 0.98593442718070 32.065 48 S 0.65100826825797 0.81288667846811 0.05977843583512 32.065 49 S 0.12337398886575 0.15188809038763 0.63520809051672 32.065 50 S 0.87662601113425 0.65188809038763 0.86479190948328 32.065 51 S 0.87662601113425 0.84811190961237 0.36479190948328 32.065 52 S 0.30225421036187 0.52874676680742 0.94333454708859 32.065 53 S 0.52640971983425 0.87541407742416 0.88957451777317 32.065 54 S 0.30225421036187 0.97125323319258 0.44333454708859 32.065 55 S 0.64382505846020 0.83973786872004 0.72786984830426 32.065 56 S 0.09042176958894 0.55784132944596 0.29793765879186 32.065 57 S 0.90152793109841 0.35648207810743 0.89610040360668 32.065 58 S 0.35617494153980 0.16026213127996 0.27213015169574 32.065 59 S 0.69774578963814 0.47125323319258 0.05666545291140 32.065 60 S 0.52640971983425 0.62458592257584 0.38957451777317 32.065 61 S 0.47359028016575 0.12458592257584 0.11042548222683 32.065 62 S 0.64382505846020 0.66026213127996 0.22786984830426 32.065 63 S 0.34899173174203 0.18711332153189 0.94022156416489 32.065 64 S 0.65100826825797 0.68711332153189 0.55977843583511 32.065 65 S 0.31335068501088 0.87101702395525 0.24280449512799 32.065 66 S 0.09847206890159 0.64351792189256 0.10389959639332 32.065 67 S 0.15815461766597 0.88731284853999 0.01406557281930 32.065 68 S 0.68664931498912 0.12898297604475 0.75719550487201 32.065 69 S 0.12337398886575 0.34811190961237 0.13520809051672 32.065 70 S 0.90152793109841 0.14351792189256 0.39610040360668 32.065 71 S 0.35617494153980 0.33973786872004 0.77213015169574 32.065 72 S 0.31335068501088 0.62898297604475 0.74280449512799 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.848002520226560 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721572370000001 0.000000000000000 c -1.138386631253577 0.000000000000000 19.117294549838746 Atomic positions (fractional): 1 Ag 0.30638123238189 0.92702415276104 0.16993928395892 107.868 > 1 2 Ag 0.80638123238189 0.92702415276104 0.16993928395892 107.868 > 1 3 Ag 0.01228725430571 0.22981379701606 0.78961910071478 107.868 > 3 4 Ag 0.51228725430571 0.22981379701606 0.78961910071478 107.868 > 3 5 Ag 0.04235659544231 0.29414138184336 0.01229740667091 107.868 > 5 6 Ag 0.54235659544231 0.29414138184336 0.01229740667091 107.868 > 5 7 Ag 0.23954682935349 0.62617881065299 0.10414158237118 107.868 > 7 8 Ag 0.73954682935350 0.62617881065299 0.10414158237118 107.868 > 7 9 Ag 0.25984472163444 0.33794815310816 0.13325384169104 107.868 > 9 10 Ag 0.75984472163444 0.33794815310816 0.13325384169104 107.868 > 9 11 Ag 0.19361876761811 0.07297584723896 0.83006071604108 107.868 > 11 12 Ag 0.69361876761811 0.07297584723896 0.83006071604108 107.868 > 11 13 Ag 0.01228725430571 0.27018620298395 0.28961910071477 107.868 > 13 14 Ag 0.51228725430571 0.27018620298395 0.28961910071477 107.868 > 13 15 Ag 0.45452469967992 0.93173036358127 0.90809874341080 107.868 > 15 16 Ag 0.95452469967993 0.93173036358127 0.90809874341080 107.868 > 15 17 Ag 0.48771274569429 0.77018620298395 0.21038089928522 107.868 > 17 18 Ag 0.98771274569429 0.77018620298395 0.21038089928522 107.868 > 17 19 Ag 0.19361876761811 0.42702415276104 0.33006071604108 107.868 > 19 20 Ag 0.69361876761811 0.42702415276104 0.33006071604108 107.868 > 19 21 Ag 0.24015527836556 0.83794815310816 0.36674615830896 107.868 > 21 22 Ag 0.74015527836556 0.83794815310816 0.36674615830896 107.868 > 21 23 Ag 0.48771274569429 0.72981379701605 0.71038089928522 107.868 > 23 24 Ag 0.98771274569429 0.72981379701605 0.71038089928522 107.868 > 23 25 Ag 0.04235659544231 0.20585861815664 0.51229740667090 107.868 > 25 26 Ag 0.54235659544231 0.20585861815664 0.51229740667090 107.868 > 25 27 Ag 0.45764340455769 0.79414138184336 0.48770259332909 107.868 > 27 28 Ag 0.95764340455769 0.79414138184336 0.48770259332909 107.868 > 27 29 Ag 0.26045317064650 0.37382118934701 0.89585841762882 107.868 > 29 30 Ag 0.76045317064650 0.37382118934701 0.89585841762882 107.868 > 29 31 Ag 0.04547530032007 0.06826963641873 0.09190125658920 107.868 > 31 32 Ag 0.54547530032007 0.06826963641873 0.09190125658920 107.868 > 31 33 Ag 0.25984472163444 0.16205184689184 0.63325384169104 107.868 > 33 34 Ag 0.75984472163444 0.16205184689184 0.63325384169104 107.868 > 33 35 Ag 0.26045317064650 0.12617881065299 0.39585841762882 107.868 > 35 36 Ag 0.76045317064650 0.12617881065299 0.39585841762882 107.868 > 35 37 Ag 0.23954682935349 0.87382118934701 0.60414158237118 107.868 > 37 38 Ag 0.73954682935350 0.87382118934701 0.60414158237118 107.868 > 37 39 Ag 0.04547530032007 0.43173036358127 0.59190125658920 107.868 > 39 40 Ag 0.54547530032007 0.43173036358127 0.59190125658920 107.868 > 39 41 Ag 0.45764340455769 0.70585861815664 0.98770259332910 107.868 > 41 42 Ag 0.95764340455769 0.70585861815664 0.98770259332910 107.868 > 41 43 Ag 0.24015527836556 0.66205184689184 0.86674615830896 107.868 > 43 44 Ag 0.74015527836556 0.66205184689184 0.86674615830896 107.868 > 43 45 Ag 0.45452469967992 0.56826963641873 0.40809874341080 107.868 > 45 46 Ag 0.95452469967993 0.56826963641873 0.40809874341080 107.868 > 45 47 Ag 0.30638123238189 0.57297584723896 0.66993928395892 107.868 > 47 48 Ag 0.80638123238189 0.57297584723896 0.66993928395892 107.868 > 47 49 P 0.27059889917811 0.09463580032633 0.00882538423500 30.974 > 49 50 P 0.77059889917811 0.09463580032633 0.00882538423500 30.974 > 49 51 P 0.47526992609618 0.00649881284996 0.62533699696695 30.974 > 51 52 P 0.97526992609618 0.00649881284996 0.62533699696695 30.974 > 51 53 P 0.22940110082189 0.59463580032633 0.49117461576500 30.974 > 53 54 P 0.72940110082189 0.59463580032633 0.49117461576500 30.974 > 53 55 P 0.41683615221730 0.52149095314475 0.23372193954506 30.974 > 55 56 P 0.91683615221730 0.52149095314475 0.23372193954506 30.974 > 55 57 P 0.08316384778270 0.02149095314475 0.26627806045494 30.974 > 57 58 P 0.58316384778270 0.02149095314475 0.26627806045494 30.974 > 57 59 P 0.27059889917811 0.40536419967367 0.50882538423500 30.974 > 59 60 P 0.77059889917811 0.40536419967367 0.50882538423500 30.974 > 59 61 P 0.02473007390382 0.50649881284997 0.87466300303305 30.974 > 61 62 P 0.52473007390382 0.50649881284997 0.87466300303305 30.974 > 61 63 P 0.41683615221730 0.97850904685525 0.73372193954506 30.974 > 63 64 P 0.91683615221730 0.97850904685525 0.73372193954506 30.974 > 63 65 P 0.08316384778270 0.47850904685525 0.76627806045494 30.974 > 65 66 P 0.58316384778270 0.47850904685525 0.76627806045494 30.974 > 65 67 P 0.22940110082189 0.90536419967367 0.99117461576500 30.974 > 67 68 P 0.72940110082189 0.90536419967367 0.99117461576500 30.974 > 67 69 P 0.47526992609618 0.49350118715003 0.12533699696695 30.974 > 69 70 P 0.97526992609618 0.49350118715003 0.12533699696695 30.974 > 69 71 P 0.02473007390382 0.99350118715003 0.37466300303305 30.974 > 71 72 P 0.52473007390382 0.99350118715003 0.37466300303305 30.974 > 71 73 S 0.45478911520553 0.44215867055404 0.70206234120814 32.065 > 73 74 S 0.95478911520553 0.44215867055404 0.70206234120814 32.065 > 73 75 S 0.42092269116702 0.38731284853999 0.48593442718070 32.065 > 75 76 S 0.92092269116702 0.38731284853999 0.48593442718070 32.065 > 75 77 S 0.07907730883298 0.61268715146001 0.51406557281930 32.065 > 77 78 S 0.57907730883298 0.61268715146001 0.51406557281930 32.065 > 77 79 S 0.04923603445080 0.85648207810744 0.60389959639332 32.065 > 79 80 S 0.54923603445080 0.85648207810744 0.60389959639332 32.065 > 79 81 S 0.04521088479447 0.94215867055404 0.79793765879186 32.065 > 81 82 S 0.54521088479447 0.94215867055404 0.79793765879186 32.065 > 81 83 S 0.23679514008287 0.37541407742416 0.61042548222683 32.065 > 83 84 S 0.73679514008287 0.37541407742416 0.61042548222683 32.065 > 83 85 S 0.34332465749456 0.37101702395525 0.25719550487201 32.065 > 85 86 S 0.84332465749456 0.37101702395525 0.25719550487201 32.065 > 85 87 S 0.45478911520553 0.05784132944596 0.20206234120814 32.065 > 87 88 S 0.95478911520553 0.05784132944596 0.20206234120814 32.065 > 87 89 S 0.17449586587102 0.31288667846811 0.44022156416489 32.065 > 89 90 S 0.67449586587102 0.31288667846811 0.44022156416489 32.065 > 89 91 S 0.34887289481907 0.02874676680742 0.55666545291141 32.065 > 91 92 S 0.84887289481907 0.02874676680742 0.55666545291141 32.065 > 91 93 S 0.42092269116702 0.11268715146001 0.98593442718070 32.065 > 93 94 S 0.92092269116702 0.11268715146001 0.98593442718070 32.065 > 93 95 S 0.32550413412898 0.81288667846811 0.05977843583512 32.065 > 95 96 S 0.82550413412898 0.81288667846811 0.05977843583512 32.065 > 95 97 S 0.06168699443287 0.15188809038763 0.63520809051672 32.065 > 97 98 S 0.56168699443287 0.15188809038763 0.63520809051672 32.065 > 97 99 S 0.43831300556713 0.65188809038763 0.86479190948328 32.065 > 99 100 S 0.93831300556713 0.65188809038763 0.86479190948328 32.065 > 99 101 S 0.43831300556713 0.84811190961237 0.36479190948328 32.065 > 101 102 S 0.93831300556713 0.84811190961237 0.36479190948328 32.065 > 101 103 S 0.15112710518093 0.52874676680742 0.94333454708859 32.065 > 103 104 S 0.65112710518093 0.52874676680742 0.94333454708859 32.065 > 103 105 S 0.26320485991713 0.87541407742416 0.88957451777317 32.065 > 105 106 S 0.76320485991713 0.87541407742416 0.88957451777317 32.065 > 105 107 S 0.15112710518093 0.97125323319258 0.44333454708859 32.065 > 107 108 S 0.65112710518093 0.97125323319258 0.44333454708859 32.065 > 107 109 S 0.32191252923010 0.83973786872004 0.72786984830426 32.065 > 109 110 S 0.82191252923010 0.83973786872004 0.72786984830426 32.065 > 109 111 S 0.04521088479447 0.55784132944596 0.29793765879186 32.065 > 111 112 S 0.54521088479447 0.55784132944596 0.29793765879186 32.065 > 111 113 S 0.45076396554920 0.35648207810743 0.89610040360668 32.065 > 113 114 S 0.95076396554920 0.35648207810743 0.89610040360668 32.065 > 113 115 S 0.17808747076990 0.16026213127996 0.27213015169574 32.065 > 115 116 S 0.67808747076990 0.16026213127996 0.27213015169574 32.065 > 115 117 S 0.34887289481907 0.47125323319258 0.05666545291140 32.065 > 117 118 S 0.84887289481907 0.47125323319258 0.05666545291140 32.065 > 117 119 S 0.26320485991713 0.62458592257584 0.38957451777317 32.065 > 119 120 S 0.76320485991713 0.62458592257584 0.38957451777317 32.065 > 119 121 S 0.23679514008287 0.12458592257584 0.11042548222683 32.065 > 121 122 S 0.73679514008287 0.12458592257584 0.11042548222683 32.065 > 121 123 S 0.32191252923010 0.66026213127996 0.22786984830426 32.065 > 123 124 S 0.82191252923010 0.66026213127996 0.22786984830426 32.065 > 123 125 S 0.17449586587102 0.18711332153189 0.94022156416489 32.065 > 125 126 S 0.67449586587102 0.18711332153189 0.94022156416489 32.065 > 125 127 S 0.32550413412898 0.68711332153189 0.55977843583511 32.065 > 127 128 S 0.82550413412898 0.68711332153189 0.55977843583511 32.065 > 127 129 S 0.15667534250544 0.87101702395525 0.24280449512799 32.065 > 129 130 S 0.65667534250544 0.87101702395525 0.24280449512799 32.065 > 129 131 S 0.04923603445080 0.64351792189256 0.10389959639332 32.065 > 131 132 S 0.54923603445080 0.64351792189256 0.10389959639332 32.065 > 131 133 S 0.07907730883298 0.88731284853999 0.01406557281930 32.065 > 133 134 S 0.57907730883298 0.88731284853999 0.01406557281930 32.065 > 133 135 S 0.34332465749456 0.12898297604475 0.75719550487201 32.065 > 135 136 S 0.84332465749456 0.12898297604475 0.75719550487201 32.065 > 135 137 S 0.06168699443287 0.34811190961237 0.13520809051672 32.065 > 137 138 S 0.56168699443287 0.34811190961237 0.13520809051672 32.065 > 137 139 S 0.45076396554920 0.14351792189256 0.39610040360668 32.065 > 139 140 S 0.95076396554920 0.14351792189256 0.39610040360668 32.065 > 139 141 S 0.17808747076990 0.33973786872004 0.77213015169574 32.065 > 141 142 S 0.67808747076990 0.33973786872004 0.77213015169574 32.065 > 141 143 S 0.15667534250544 0.62898297604475 0.74280449512799 32.065 > 143 144 S 0.65667534250544 0.62898297604475 0.74280449512799 32.065 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.1688445 0.0000000 0.1613812 0.0000000 8.0819023 0.0000000 0.1613725 0.0000000 7.7739836 -------------------------- Born effective charges -------------------------- 1 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 2 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 3 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 4 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 5 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 6 Ag 1.0696379 -0.0885351 0.0687771 0.0325159 1.0441452 -0.0355521 -0.0838262 -0.1311749 1.3128164 7 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 8 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 9 Ag 0.7599781 0.0379466 0.0110386 -0.0271655 1.3867871 0.1274420 -0.0115018 0.1520309 1.1421056 10 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 11 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 12 Ag 0.7599781 -0.0379466 0.0110386 0.0271655 1.3867871 -0.1274420 -0.0115018 -0.1520309 1.1421056 13 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 14 Ag 1.0802487 0.0695777 -0.1093449 -0.0179104 1.1432569 -0.0065757 -0.0381568 0.0681762 0.9745362 15 Ag 0.8989655 0.0175142 0.0920550 0.0015061 1.0358441 -0.1596884 0.0451648 -0.2726653 0.8095583 16 Ag 1.0669521 -0.1670655 0.1990305 -0.1096198 0.7827231 0.0750306 -0.0379029 0.1234652 0.9179726 17 Ag 0.9871783 0.1179104 0.0201487 -0.0181956 1.0763140 -0.1290505 0.0936506 -0.1713108 0.7232521 18 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 19 Ag 0.8989655 -0.0175142 0.0920550 -0.0015061 1.0358441 0.1596884 0.0451648 0.2726653 0.8095583 20 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 21 Ag 1.0802487 -0.0695777 -0.1093449 0.0179104 1.1432569 0.0065757 -0.0381568 -0.0681762 0.9745362 22 Ag 0.9871783 -0.1179104 0.0201487 0.0181956 1.0763140 0.1290505 0.0936506 0.1713108 0.7232521 23 Ag 1.0669521 0.1670655 0.1990305 0.1096198 0.7827231 -0.0750306 -0.0379029 -0.1234652 0.9179726 24 Ag 1.0696379 0.0885351 0.0687771 -0.0325159 1.0441452 0.0355521 -0.0838262 0.1311749 1.3128164 25 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 26 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 27 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 28 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 29 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 30 P 3.3287247 0.3403547 -0.3155950 0.5937335 1.1943465 0.4568785 0.2969150 0.4325595 2.6632432 31 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 32 P 2.0603566 -0.7848686 0.1714673 0.3690644 3.1600989 0.3594455 1.0180211 0.1872166 1.9621728 33 P 2.0603566 0.7848686 0.1714673 -0.3690644 3.1600989 -0.3594455 1.0180211 -0.1872166 1.9621728 34 P 3.3287247 -0.3403547 -0.3155950 -0.5937335 1.1943465 -0.4568785 0.2969150 -0.4325595 2.6632432 35 P 2.5023389 -0.1450438 0.8095996 0.0752706 3.3269026 -0.3703851 -0.0736990 0.0787692 1.1761827 36 P 2.5023389 0.1450438 0.8095996 -0.0752706 3.3269026 0.3703851 -0.0736990 -0.0787692 1.1761827 37 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 38 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 39 S -2.7885438 0.1417529 0.3367457 0.3218307 -0.9549764 -0.0780848 0.1508798 0.0201968 -0.9314421 40 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 41 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 42 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 43 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 44 S -1.1964180 0.4133225 -0.3912877 -0.2226077 -1.2525807 -0.1734119 -0.6822627 0.2055402 -1.6939055 45 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 46 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 47 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 48 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 49 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 50 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 51 S -1.3527143 -0.9341034 -0.0730306 -0.7627366 -2.0728484 -0.0763784 0.1616280 0.1833421 -0.7127052 52 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 53 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 54 S -1.8280341 0.1693438 -0.5976557 -0.0185617 -1.1177160 -0.0490236 -0.4138425 0.0028008 -1.1449568 55 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 56 S -1.1964180 -0.4133225 -0.3912877 0.2226077 -1.2525807 0.1734119 -0.6822627 -0.2055402 -1.6939055 57 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 58 S -1.4194898 -0.6820378 -0.1200647 -0.8267251 -2.0290046 -0.1366564 -0.2598893 -0.2236607 -1.4116235 59 S -1.8280341 -0.1693438 -0.5976557 0.0185617 -1.1177160 0.0490236 -0.4138425 -0.0028008 -1.1449568 60 S -1.1227194 -0.3529641 0.0868688 -0.2093481 -1.2480410 0.3826160 -0.0555087 0.0364052 -1.7661662 61 S -1.1227194 0.3529641 0.0868688 0.2093481 -1.2480410 -0.3826160 -0.0555087 -0.0364052 -1.7661662 62 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 63 S -1.5830701 0.5947436 -0.4836249 0.5864915 -1.6678541 0.7886382 -0.6735232 0.6911543 -1.8429578 64 S -1.5830701 -0.5947436 -0.4836249 -0.5864915 -1.6678541 -0.7886382 -0.6735232 -0.6911543 -1.8429578 65 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 66 S -1.1433021 -0.5927848 0.1780805 -0.4341520 -1.9131510 0.1765102 0.3303560 0.0530633 -1.0147744 67 S -2.7885438 -0.1417529 0.3367457 -0.3218307 -0.9549764 0.0780848 0.1508798 -0.0201968 -0.9314421 68 S -1.3200892 0.7319922 0.1167916 0.6307419 -1.8942462 -0.3171774 0.2334980 -0.3334340 -1.1633084 69 S -1.3527143 0.9341034 -0.0730306 0.7627366 -2.0728484 0.0763784 0.1616280 -0.1833421 -0.7127052 70 S -1.1433021 0.5927848 0.1780805 0.4341520 -1.9131510 -0.1765102 0.3303560 -0.0530633 -1.0147744 71 S -1.4194898 0.6820378 -0.1200647 0.8267251 -2.0290046 0.1366564 -0.2598893 0.2236607 -1.4116235 72 S -1.3200892 -0.7319922 0.1167916 -0.6307419 -1.8942462 0.3171774 0.2334980 0.3334340 -1.1633084 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 3 ] 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: 0.37, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 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 0.624 ( 0.000 0.000 0.000) 0.000 0.638 ( 0.000 0.000 0.000) 0.000 0.726 ( 0.000 0.000 0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.789 ( 0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 0.836 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 0.000) 0.000 0.918 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 0.957 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 0.983 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 0.990 ( 0.000 0.000 0.000) 0.000 1.065 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.346 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.394 ( 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 1.532 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.376 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 14.585 ( 0.000 0.000 0.000) 0.000 14.585 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 0.000) 0.000 15.019 ( 0.000 0.000 0.000) 0.000 15.035 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.096 ( 0.000 0.000 0.000) 0.000 16.118 ( 0.000 0.000 0.000) 0.000 16.123 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.231 ( 0.000 0.000 0.000) 0.000 16.235 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.478 ( 0.000 0.000 0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 16.626 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 16.840 ( 0.000 0.000 0.000) 0.000 16.879 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.031 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 16.043 0.000 -3.824) 16.492 0.367 ( 16.611 0.000 -0.558) 16.621 0.640 ( 0.680 0.000 -0.157) 0.698 0.687 ( 4.967 0.000 -2.245) 5.451 0.694 ( 28.863 0.000 1.420) 28.897 0.731 ( 0.039 0.000 0.293) 0.296 0.780 ( -0.894 0.000 0.879) 1.254 0.792 ( 4.121 0.000 0.768) 4.192 0.820 ( -1.739 0.000 1.098) 2.056 0.825 ( 0.025 0.000 1.635) 1.635 0.898 ( 2.975 0.000 -1.654) 3.404 0.906 ( -0.875 0.000 -0.899) 1.255 0.925 ( -1.576 0.000 -0.639) 1.701 0.928 ( 0.598 0.000 -0.675) 0.902 0.970 ( 1.219 0.000 0.989) 1.569 0.970 ( 0.787 0.000 -1.099) 1.352 0.977 ( -1.146 0.000 0.795) 1.395 1.018 ( 2.679 0.000 0.020) 2.679 1.047 ( -1.970 0.000 1.337) 2.380 1.065 ( -1.579 0.000 0.596) 1.688 1.076 ( 5.236 0.000 -2.612) 5.852 1.096 ( 1.820 0.000 -0.981) 2.068 1.115 ( 4.145 0.000 -2.488) 4.834 1.124 ( 2.683 0.000 -0.414) 2.715 1.128 ( 0.573 0.000 0.289) 0.642 1.182 ( 0.680 0.000 2.192) 2.295 1.215 ( 1.608 0.000 -0.390) 1.655 1.245 ( 1.438 0.000 -0.384) 1.488 1.247 ( -0.623 0.000 3.125) 3.187 1.295 ( 1.258 0.000 -2.523) 2.819 1.319 ( 0.402 0.000 2.057) 2.096 1.337 ( 0.936 0.000 -0.164) 0.950 1.360 ( 1.643 0.000 1.606) 2.297 1.375 ( 0.045 0.000 -1.514) 1.514 1.417 ( 1.712 0.000 -0.971) 1.968 1.419 ( -0.216 0.000 -0.692) 0.725 1.439 ( 3.820 0.000 -0.513) 3.854 1.474 ( 3.665 0.000 2.412) 4.387 1.525 ( 1.197 0.000 0.025) 1.197 1.579 ( -0.345 0.000 -2.777) 2.798 1.581 ( 1.403 0.000 -1.473) 2.034 1.586 ( 1.172 0.000 0.877) 1.464 1.609 ( 1.470 0.000 -0.218) 1.486 1.642 ( -2.257 0.000 2.399) 3.294 1.651 ( 4.118 0.000 1.406) 4.351 1.703 ( 0.421 0.000 0.576) 0.713 1.756 ( 0.353 0.000 1.357) 1.403 1.804 ( 0.798 0.000 1.112) 1.369 1.821 ( 2.827 0.000 -1.393) 3.151 1.827 ( 0.080 0.000 -1.399) 1.402 1.865 ( 2.778 0.000 0.176) 2.784 1.873 ( -0.711 0.000 0.471) 0.853 1.907 ( -2.939 0.000 -0.981) 3.099 1.939 ( -2.932 0.000 0.273) 2.945 2.031 ( 1.057 0.000 -0.057) 1.059 2.035 ( -0.049 0.000 3.086) 3.087 2.073 ( 3.571 0.000 -4.006) 5.366 2.124 ( 3.700 0.000 -3.910) 5.383 2.158 ( 0.419 0.000 2.991) 3.020 2.161 ( 0.767 0.000 2.435) 2.553 2.244 ( 1.533 0.000 -1.503) 2.147 2.271 ( -1.588 0.000 1.748) 2.361 2.295 ( -0.805 0.000 -2.072) 2.223 2.335 ( -2.470 0.000 -0.183) 2.476 2.367 ( -3.749 0.000 -0.447) 3.776 2.423 ( -1.645 0.000 -0.758) 1.811 2.448 ( -0.462 0.000 -0.675) 0.818 2.482 ( 0.312 0.000 3.243) 3.258 2.531 ( 0.993 0.000 0.874) 1.323 2.561 ( -3.589 0.000 -2.090) 4.154 2.785 ( -0.701 0.000 -0.086) 0.706 2.798 ( -0.454 0.000 -0.262) 0.524 3.219 ( 2.133 0.000 -1.498) 2.607 3.333 ( 0.317 0.000 6.115) 6.123 3.360 ( -1.286 0.000 3.369) 3.606 3.431 ( -2.482 0.000 -2.098) 3.250 3.474 ( 0.702 0.000 -3.430) 3.501 3.628 ( 4.270 0.000 0.440) 4.293 3.683 ( -0.028 0.000 -1.188) 1.188 3.722 ( 3.252 0.000 0.706) 3.328 3.742 ( 2.203 0.000 -2.489) 3.324 3.757 ( -2.019 0.000 2.931) 3.559 3.768 ( -4.164 0.000 0.544) 4.199 3.887 ( -2.615 0.000 1.000) 2.799 4.009 ( -1.939 0.000 -3.077) 3.637 4.081 ( -1.761 0.000 2.544) 3.094 4.133 ( -1.561 0.000 -0.077) 1.563 4.217 ( -2.529 0.000 4.283) 4.973 4.228 ( 1.184 0.000 -2.460) 2.730 4.247 ( 4.790 0.000 1.940) 5.168 4.259 ( 3.297 0.000 -4.132) 5.286 4.381 ( 5.664 0.000 -2.833) 6.333 4.508 ( -2.046 0.000 0.222) 2.058 4.559 ( 0.377 0.000 2.627) 2.654 4.567 ( 1.086 0.000 0.905) 1.413 4.580 ( 1.557 0.000 1.843) 2.412 4.613 ( -2.527 0.000 -1.044) 2.735 4.695 ( 1.822 0.000 -1.733) 2.515 4.791 ( -0.380 0.000 2.556) 2.584 4.837 ( 0.634 0.000 -0.841) 1.053 4.972 ( 8.759 0.000 0.716) 8.789 5.025 ( 8.530 0.000 -1.081) 8.598 5.091 ( -0.539 0.000 -1.577) 1.667 5.297 ( -2.810 0.000 -4.923) 5.669 5.430 ( 0.379 0.000 2.769) 2.795 5.517 ( -1.510 0.000 1.463) 2.102 5.521 ( 0.371 0.000 5.574) 5.586 5.552 ( 1.204 0.000 -0.868) 1.484 5.620 ( 0.373 0.000 -3.579) 3.599 5.659 ( 3.266 0.000 0.222) 3.273 5.861 ( -0.269 0.000 0.576) 0.635 5.878 ( -0.228 0.000 -0.004) 0.228 5.911 ( -0.335 0.000 -0.333) 0.472 5.966 ( 0.189 0.000 -0.636) 0.664 6.018 ( -7.295 0.000 -0.496) 7.312 6.083 ( -4.876 0.000 0.786) 4.939 6.249 ( -0.940 0.000 -1.261) 1.573 6.260 ( -0.840 0.000 -1.199) 1.464 6.292 ( -1.380 0.000 0.358) 1.426 6.309 ( -1.484 0.000 1.438) 2.066 6.326 ( -1.262 0.000 0.223) 1.282 6.352 ( -0.749 0.000 -0.167) 0.767 6.382 ( 1.680 0.000 -0.876) 1.894 6.453 ( 0.879 0.000 0.503) 1.012 6.479 ( 0.494 0.000 1.076) 1.184 6.509 ( 1.115 0.000 -0.850) 1.402 6.537 ( 5.449 0.000 -1.222) 5.584 6.552 ( 2.695 0.000 1.453) 3.062 6.614 ( 5.691 0.000 -0.672) 5.731 6.618 ( 4.506 0.000 0.905) 4.596 6.836 ( -1.338 0.000 -0.036) 1.339 6.847 ( -0.926 0.000 0.057) 0.928 6.875 ( -0.649 0.000 -0.493) 0.815 6.886 ( -1.253 0.000 1.466) 1.928 6.919 ( -0.240 0.000 0.858) 0.891 6.929 ( -0.799 0.000 -1.270) 1.501 7.110 ( -0.655 0.000 1.422) 1.565 7.131 ( -1.150 0.000 -0.786) 1.393 7.139 ( -0.788 0.000 0.539) 0.955 7.191 ( -1.340 0.000 -1.663) 2.136 7.200 ( -2.437 0.000 0.308) 2.456 7.231 ( -1.658 0.000 -0.315) 1.687 7.245 ( -0.163 0.000 0.513) 0.539 7.259 ( -0.826 0.000 0.500) 0.965 7.322 ( 0.483 0.000 0.417) 0.638 7.359 ( 0.444 0.000 -0.035) 0.445 7.377 ( 0.404 0.000 -1.205) 1.271 7.405 ( 2.046 0.000 -0.328) 2.072 7.428 ( 1.876 0.000 0.920) 2.089 7.429 ( 1.718 0.000 -0.728) 1.866 7.624 ( -1.034 0.000 -0.376) 1.100 7.633 ( 0.626 0.000 0.020) 0.626 7.644 ( -0.126 0.000 0.307) 0.332 7.658 ( 1.630 0.000 -0.148) 1.637 7.756 ( 0.469 0.000 -0.308) 0.561 7.789 ( 0.392 0.000 1.397) 1.451 7.795 ( 0.235 0.000 -0.708) 0.746 7.826 ( -0.883 0.000 -0.364) 0.955 7.872 ( 0.176 0.000 -0.319) 0.364 7.901 ( 0.464 0.000 0.050) 0.467 8.015 ( 0.821 0.000 -0.053) 0.822 8.033 ( 0.664 0.000 -0.841) 1.071 8.053 ( -1.198 0.000 0.224) 1.219 8.065 ( -0.922 0.000 0.028) 0.922 8.085 ( 0.229 0.000 0.225) 0.321 8.107 ( -1.893 0.000 -0.488) 1.955 8.136 ( -0.703 0.000 0.395) 0.807 8.151 ( -2.143 0.000 -0.435) 2.187 8.186 ( -0.956 0.000 -1.314) 1.625 8.257 ( -0.219 0.000 0.937) 0.962 8.484 ( -1.948 0.000 0.447) 1.998 8.485 ( -1.929 0.000 -0.142) 1.934 8.491 ( -1.481 0.000 -0.321) 1.515 8.501 ( -1.386 0.000 0.114) 1.391 10.275 ( -1.853 0.000 0.231) 1.867 10.326 ( -1.732 0.000 -0.568) 1.823 10.410 ( -0.105 0.000 0.106) 0.149 10.420 ( -1.090 0.000 1.343) 1.730 10.451 ( 0.110 0.000 -1.064) 1.069 10.494 ( -0.751 0.000 0.170) 0.770 12.307 ( 0.438 0.000 -0.074) 0.444 12.322 ( 0.920 0.000 0.133) 0.930 12.367 ( -0.587 0.000 0.456) 0.744 12.369 ( -1.157 0.000 -0.646) 1.325 12.442 ( 0.435 0.000 -3.223) 3.252 12.505 ( -0.943 0.000 1.139) 1.479 14.591 ( 0.626 0.000 0.009) 0.626 14.593 ( 0.729 0.000 -0.009) 0.729 14.960 ( -0.884 0.000 0.240) 0.917 14.981 ( -0.549 0.000 -0.357) 0.655 15.017 ( -0.233 0.000 0.228) 0.326 15.035 ( -0.084 0.000 -0.083) 0.118 15.605 ( 0.454 0.000 0.402) 0.607 15.622 ( 0.319 0.000 -0.475) 0.573 15.728 ( -0.295 0.000 9.693) 9.697 15.798 ( -3.728 0.000 -3.846) 5.356 15.887 ( 1.029 0.000 0.931) 1.388 15.900 ( 1.038 0.000 -1.382) 1.728 16.003 ( 1.531 0.000 0.912) 1.782 16.057 ( 3.556 0.000 -1.048) 3.707 16.124 ( 0.790 0.000 -1.457) 1.657 16.137 ( 1.202 0.000 0.225) 1.223 16.143 ( 1.779 0.000 -0.034) 1.779 16.239 ( 0.946 0.000 3.106) 3.247 16.260 ( 2.233 0.000 0.701) 2.341 16.285 ( 4.306 0.000 0.849) 4.389 16.443 ( 0.258 0.000 0.675) 0.723 16.446 ( -0.408 0.000 -1.224) 1.290 16.472 ( 0.026 0.000 0.804) 0.804 16.528 ( -0.355 0.000 -0.490) 0.605 16.736 ( 2.677 0.000 0.812) 2.797 16.791 ( -4.892 0.000 -0.578) 4.926 16.815 ( -2.256 0.000 0.093) 2.258 16.991 ( -1.650 0.000 0.207) 1.663 17.073 ( 5.084 0.000 0.823) 5.151 17.125 ( 6.299 0.000 -3.373) 7.146 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 3.845 0.000 0.995) 3.972 0.593 ( 10.521 0.000 -2.792) 10.885 0.641 ( -0.589 0.000 0.030) 0.590 0.728 ( -1.484 0.000 -2.203) 2.656 0.754 ( -0.761 0.000 0.926) 1.199 0.790 ( 3.391 0.000 -0.869) 3.501 0.803 ( -0.512 0.000 -0.197) 0.549 0.835 ( 1.495 0.000 0.739) 1.668 0.855 ( 3.213 0.000 -0.081) 3.214 0.886 ( 1.477 0.000 0.076) 1.479 0.924 ( 2.050 0.000 0.348) 2.079 0.933 ( 3.114 0.000 0.522) 3.157 0.954 ( -0.201 0.000 0.208) 0.290 0.965 ( 2.586 0.000 -0.234) 2.596 0.989 ( 1.580 0.000 -2.606) 3.047 0.994 ( 0.556 0.000 0.892) 1.051 1.021 ( 0.916 0.000 0.335) 0.976 1.029 ( 0.078 0.000 -0.483) 0.489 1.111 ( 5.955 0.000 1.508) 6.143 1.114 ( 3.151 0.000 -1.109) 3.340 1.117 ( 1.264 0.000 0.747) 1.468 1.127 ( 4.241 0.000 0.201) 4.246 1.157 ( 2.945 0.000 -2.456) 3.834 1.171 ( -0.661 0.000 2.232) 2.327 1.188 ( 0.816 0.000 -1.069) 1.345 1.214 ( 2.088 0.000 1.610) 2.637 1.250 ( 0.813 0.000 2.487) 2.617 1.265 ( 4.993 0.000 -4.359) 6.628 1.281 ( 0.735 0.000 -0.687) 1.006 1.321 ( 1.201 0.000 -1.640) 2.032 1.332 ( -1.105 0.000 -0.360) 1.162 1.363 ( 3.279 0.000 2.148) 3.920 1.385 ( -0.106 0.000 -0.531) 0.541 1.424 ( 4.089 0.000 -2.080) 4.588 1.433 ( 3.158 0.000 0.896) 3.283 1.457 ( 4.330 0.000 0.560) 4.366 1.484 ( 1.529 0.000 1.122) 1.897 1.544 ( 0.864 0.000 1.267) 1.533 1.554 ( 1.111 0.000 1.608) 1.954 1.597 ( 1.057 0.000 -2.413) 2.634 1.603 ( 2.711 0.000 -2.089) 3.423 1.621 ( 3.108 0.000 2.660) 4.091 1.640 ( 1.771 0.000 1.288) 2.190 1.681 ( 4.433 0.000 1.099) 4.567 1.693 ( 1.654 0.000 -1.988) 2.586 1.735 ( -0.577 0.000 2.507) 2.572 1.751 ( 1.176 0.000 0.626) 1.332 1.791 ( -1.572 0.000 0.812) 1.770 1.821 ( -1.167 0.000 -0.752) 1.389 1.837 ( -1.557 0.000 0.132) 1.563 1.859 ( -0.189 0.000 -0.558) 0.589 1.892 ( -0.869 0.000 -1.159) 1.449 1.919 ( 3.432 0.000 -1.322) 3.678 1.933 ( 2.354 0.000 2.639) 3.536 2.034 ( -1.162 0.000 0.357) 1.215 2.085 ( 4.689 0.000 -1.362) 4.883 2.125 ( 0.906 0.000 -2.724) 2.871 2.171 ( -0.521 0.000 1.896) 1.967 2.172 ( 1.392 0.000 2.447) 2.815 2.189 ( -1.693 0.000 -0.453) 1.753 2.247 ( 3.407 0.000 -1.403) 3.685 2.253 ( -2.322 0.000 0.685) 2.421 2.259 ( -0.088 0.000 -0.736) 0.741 2.283 ( 0.366 0.000 -1.286) 1.337 2.364 ( -3.910 0.000 0.528) 3.946 2.368 ( 1.180 0.000 1.468) 1.883 2.442 ( 1.392 0.000 -0.830) 1.621 2.458 ( -1.827 0.000 -0.839) 2.011 2.534 ( -0.042 0.000 -0.909) 0.910 2.548 ( 2.653 0.000 1.640) 3.119 2.770 ( -0.655 0.000 -0.416) 0.776 2.781 ( -1.303 0.000 0.293) 1.335 3.269 ( 3.279 0.000 -1.782) 3.732 3.334 ( -0.484 0.000 2.027) 2.084 3.373 ( 1.973 0.000 4.598) 5.003 3.398 ( -0.807 0.000 -1.293) 1.524 3.474 ( -0.273 0.000 -3.930) 3.939 3.627 ( -4.971 0.000 0.730) 5.024 3.694 ( 0.688 0.000 0.005) 0.688 3.696 ( -0.827 0.000 1.742) 1.929 3.744 ( 1.718 0.000 2.669) 3.174 3.757 ( 0.721 0.000 -3.232) 3.311 3.867 ( 7.043 0.000 -0.677) 7.075 3.935 ( 6.398 0.000 -0.134) 6.400 4.011 ( 3.190 0.000 -2.762) 4.219 4.049 ( -1.730 0.000 2.485) 3.028 4.089 ( -2.098 0.000 -1.304) 2.470 4.118 ( -3.616 0.000 4.209) 5.549 4.276 ( 1.686 0.000 -4.289) 4.609 4.333 ( 3.377 0.000 -4.027) 5.255 4.336 ( 3.040 0.000 2.120) 3.706 4.425 ( -2.851 0.000 -0.294) 2.867 4.499 ( 3.147 0.000 -2.546) 4.048 4.521 ( -2.644 0.000 0.535) 2.698 4.564 ( -0.331 0.000 1.926) 1.954 4.597 ( -0.781 0.000 4.774) 4.838 4.652 ( 3.264 0.000 -2.234) 3.955 4.727 ( 0.612 0.000 3.325) 3.381 4.828 ( 4.370 0.000 -0.085) 4.371 4.852 ( 1.066 0.000 -0.570) 1.209 5.105 ( 2.448 0.000 -0.662) 2.536 5.108 ( 4.175 0.000 1.142) 4.329 5.172 ( 5.662 0.000 -1.484) 5.853 5.276 ( 1.096 0.000 -0.306) 1.138 5.420 ( -0.134 0.000 -4.613) 4.615 5.502 ( -2.129 0.000 -1.805) 2.791 5.520 ( 0.889 0.000 6.278) 6.341 5.577 ( 0.748 0.000 0.269) 0.795 5.639 ( 1.233 0.000 1.885) 2.253 5.709 ( 1.923 0.000 -0.983) 2.160 5.780 ( -8.006 0.000 0.522) 8.023 5.842 ( -5.959 0.000 -1.313) 6.102 5.904 ( 0.561 0.000 -1.262) 1.381 5.905 ( -0.007 0.000 1.648) 1.648 5.963 ( -1.138 0.000 -1.505) 1.887 6.044 ( -0.439 0.000 1.126) 1.208 6.216 ( -2.334 0.000 -2.242) 3.236 6.253 ( 0.028 0.000 -1.601) 1.602 6.266 ( -1.500 0.000 1.807) 2.349 6.289 ( -0.452 0.000 0.652) 0.793 6.292 ( -1.366 0.000 0.288) 1.396 6.351 ( 0.019 0.000 0.573) 0.573 6.418 ( 1.875 0.000 -1.094) 2.171 6.471 ( 1.257 0.000 0.371) 1.310 6.490 ( 0.485 0.000 1.170) 1.266 6.535 ( 1.566 0.000 -0.602) 1.678 6.609 ( 2.298 0.000 1.389) 2.685 6.650 ( 5.502 0.000 -2.019) 5.861 6.704 ( 3.550 0.000 0.333) 3.566 6.727 ( 5.655 0.000 -0.066) 5.656 6.815 ( -0.229 0.000 -0.003) 0.229 6.833 ( -0.165 0.000 0.411) 0.443 6.866 ( -0.549 0.000 1.710) 1.796 6.874 ( 0.524 0.000 -0.268) 0.589 6.911 ( -0.868 0.000 -1.180) 1.465 6.911 ( -0.419 0.000 0.324) 0.530 7.084 ( -3.359 0.000 -1.070) 3.525 7.084 ( -2.274 0.000 0.635) 2.361 7.118 ( -1.350 0.000 0.046) 1.351 7.135 ( -1.873 0.000 0.192) 1.882 7.199 ( 0.082 0.000 -0.701) 0.706 7.199 ( -1.302 0.000 0.432) 1.372 7.255 ( 0.611 0.000 -0.005) 0.611 7.256 ( 1.163 0.000 0.105) 1.168 7.330 ( 0.451 0.000 0.628) 0.773 7.362 ( -0.068 0.000 -1.118) 1.120 7.392 ( 0.939 0.000 -0.026) 0.939 7.443 ( 1.760 0.000 -0.258) 1.779 7.457 ( 1.026 0.000 0.176) 1.041 7.460 ( 1.169 0.000 0.606) 1.317 7.597 ( -1.554 0.000 -0.506) 1.634 7.623 ( -0.740 0.000 0.401) 0.842 7.671 ( 1.772 0.000 0.024) 1.772 7.696 ( 2.157 0.000 -0.015) 2.157 7.765 ( 0.219 0.000 -0.191) 0.291 7.780 ( -0.897 0.000 0.151) 0.909 7.808 ( -0.477 0.000 -0.564) 0.739 7.811 ( 0.591 0.000 0.568) 0.820 7.878 ( 0.658 0.000 -0.500) 0.827 7.909 ( 0.240 0.000 0.437) 0.498 8.014 ( -1.643 0.000 -0.085) 1.645 8.033 ( -2.073 0.000 0.014) 2.073 8.041 ( 0.473 0.000 0.229) 0.526 8.044 ( 0.328 0.000 1.462) 1.498 8.056 ( -2.844 0.000 -1.419) 3.178 8.089 ( -0.275 0.000 0.516) 0.585 8.114 ( -1.479 0.000 -0.045) 1.480 8.117 ( -1.275 0.000 0.118) 1.280 8.166 ( -0.602 0.000 -2.269) 2.348 8.245 ( -1.268 0.000 1.300) 1.816 8.434 ( -3.086 0.000 -0.302) 3.101 8.435 ( -2.943 0.000 0.500) 2.985 8.453 ( -2.154 0.000 -0.360) 2.184 8.464 ( -2.162 0.000 0.177) 2.169 10.238 ( -1.687 0.000 0.550) 1.774 10.281 ( -2.604 0.000 -0.870) 2.745 10.403 ( -0.625 0.000 -0.059) 0.628 10.404 ( -0.579 0.000 0.946) 1.109 10.444 ( -0.680 0.000 -0.560) 0.881 10.470 ( -1.655 0.000 0.101) 1.658 12.309 ( -0.398 0.000 -0.032) 0.399 12.334 ( -0.891 0.000 0.445) 0.996 12.356 ( 1.065 0.000 -0.889) 1.388 12.369 ( 0.849 0.000 0.446) 0.959 12.446 ( 0.173 0.000 -0.603) 0.627 12.481 ( -1.351 0.000 0.522) 1.448 14.605 ( 0.647 0.000 0.011) 0.647 14.608 ( 0.757 0.000 -0.012) 0.758 14.940 ( -1.019 0.000 0.315) 1.066 14.968 ( -0.596 0.000 -0.537) 0.802 15.010 ( -0.543 0.000 0.340) 0.641 15.030 ( -0.394 0.000 -0.129) 0.415 15.620 ( 0.934 0.000 0.731) 1.186 15.628 ( 0.285 0.000 -0.795) 0.845 15.731 ( -0.195 0.000 4.032) 4.037 15.734 ( -2.215 0.000 -3.228) 3.915 15.919 ( 1.903 0.000 1.486) 2.415 15.924 ( 1.407 0.000 -1.448) 2.019 16.040 ( 1.827 0.000 1.790) 2.557 16.082 ( -0.038 0.000 -2.932) 2.933 16.162 ( 1.120 0.000 0.132) 1.128 16.168 ( 2.563 0.000 0.182) 2.570 16.201 ( 3.816 0.000 0.894) 3.919 16.269 ( 1.840 0.000 -0.138) 1.846 16.315 ( 3.069 0.000 0.289) 3.082 16.366 ( 3.542 0.000 0.483) 3.575 16.414 ( -1.883 0.000 0.372) 1.919 16.445 ( 0.008 0.000 -1.226) 1.226 16.490 ( 1.458 0.000 1.140) 1.851 16.527 ( 0.489 0.000 -0.909) 1.032 16.698 ( -4.412 0.000 1.393) 4.626 16.733 ( -3.379 0.000 -2.438) 4.167 16.819 ( 2.849 0.000 0.899) 2.987 16.958 ( -1.594 0.000 0.302) 1.623 17.198 ( 6.858 0.000 1.236) 6.968 17.244 ( 5.916 0.000 -1.651) 6.142 ======================= Grid point 3 (4/39) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.062 0.000 1.615) 1.933 0.610 ( -1.524 0.000 -0.321) 1.558 0.680 ( -2.357 0.000 -2.392) 3.359 0.712 ( 1.878 0.000 1.587) 2.459 0.770 ( -0.017 0.000 -0.920) 0.920 0.789 ( -1.158 0.000 -0.478) 1.253 0.811 ( 3.015 0.000 0.239) 3.024 0.848 ( -0.542 0.000 -0.835) 0.996 0.888 ( 0.476 0.000 0.120) 0.491 0.911 ( 0.814 0.000 -3.112) 3.217 0.945 ( -0.249 0.000 -1.480) 1.501 0.947 ( 0.988 0.000 0.083) 0.992 0.963 ( -1.225 0.000 3.386) 3.601 0.990 ( 0.537 0.000 0.704) 0.885 1.032 ( 2.777 0.000 0.332) 2.797 1.053 ( 2.052 0.000 -0.369) 2.084 1.054 ( 0.936 0.000 -0.604) 1.114 1.106 ( 6.062 0.000 0.416) 6.076 1.137 ( 1.892 0.000 0.249) 1.908 1.153 ( 2.789 0.000 0.885) 2.926 1.167 ( 0.838 0.000 -0.831) 1.180 1.180 ( 0.190 0.000 -0.519) 0.553 1.189 ( 2.228 0.000 1.140) 2.502 1.220 ( 2.951 0.000 -2.248) 3.710 1.238 ( 0.663 0.000 2.377) 2.468 1.243 ( 4.735 0.000 -0.736) 4.792 1.264 ( -1.075 0.000 -1.106) 1.543 1.274 ( 1.239 0.000 2.052) 2.397 1.290 ( -0.253 0.000 -1.077) 1.106 1.332 ( -0.337 0.000 -0.670) 0.750 1.358 ( 2.311 0.000 -0.385) 2.343 1.387 ( 1.227 0.000 0.015) 1.227 1.396 ( 0.024 0.000 0.681) 0.682 1.464 ( 2.221 0.000 -0.438) 2.264 1.508 ( 1.056 0.000 -0.835) 1.347 1.523 ( 1.334 0.000 -1.269) 1.841 1.541 ( 5.138 0.000 1.390) 5.323 1.556 ( -1.609 0.000 1.931) 2.514 1.571 ( 1.875 0.000 0.239) 1.890 1.599 ( -1.871 0.000 -0.834) 2.049 1.628 ( -0.030 0.000 1.930) 1.930 1.646 ( 1.802 0.000 -0.593) 1.897 1.681 ( 2.103 0.000 -1.768) 2.748 1.683 ( -1.526 0.000 -0.079) 1.528 1.735 ( -1.239 0.000 -0.111) 1.244 1.741 ( -0.628 0.000 1.933) 2.033 1.763 ( -0.318 0.000 0.914) 0.968 1.780 ( -0.007 0.000 -1.750) 1.750 1.805 ( -0.372 0.000 1.349) 1.399 1.815 ( 0.788 0.000 1.498) 1.693 1.868 ( -0.707 0.000 -1.870) 2.000 1.882 ( -0.197 0.000 -0.130) 0.236 1.943 ( 0.231 0.000 -2.007) 2.020 1.949 ( -0.277 0.000 -0.496) 0.568 2.013 ( 1.134 0.000 2.248) 2.518 2.111 ( -2.559 0.000 0.094) 2.561 2.133 ( -1.423 0.000 1.993) 2.449 2.135 ( -1.703 0.000 1.451) 2.237 2.175 ( -1.052 0.000 1.126) 1.541 2.185 ( 2.247 0.000 -2.702) 3.514 2.228 ( -2.533 0.000 -2.657) 3.671 2.234 ( -3.311 0.000 -0.947) 3.444 2.263 ( 2.220 0.000 2.584) 3.406 2.319 ( -0.302 0.000 -3.406) 3.419 2.333 ( 0.509 0.000 1.711) 1.785 2.393 ( 1.930 0.000 0.148) 1.936 2.523 ( 7.836 0.000 -0.317) 7.842 2.533 ( 5.831 0.000 0.557) 5.858 2.577 ( 5.242 0.000 -0.741) 5.294 2.609 ( 2.963 0.000 1.488) 3.315 2.748 ( -2.271 0.000 0.264) 2.286 2.755 ( -1.197 0.000 -0.585) 1.333 3.332 ( -0.070 0.000 0.369) 0.376 3.338 ( 3.686 0.000 -1.370) 3.932 3.394 ( 0.318 0.000 -0.123) 0.341 3.412 ( 1.183 0.000 1.807) 2.160 3.465 ( -0.021 0.000 -1.184) 1.184 3.545 ( -3.299 0.000 1.925) 3.819 3.670 ( -1.780 0.000 0.861) 1.977 3.693 ( -0.223 0.000 0.041) 0.227 3.776 ( 0.940 0.000 -0.007) 0.940 3.805 ( 3.482 0.000 -2.664) 4.384 3.965 ( 3.666 0.000 -1.282) 3.884 4.007 ( -0.727 0.000 2.610) 2.709 4.032 ( -1.292 0.000 -1.444) 1.938 4.061 ( 3.328 0.000 0.415) 3.353 4.099 ( 0.528 0.000 1.711) 1.791 4.143 ( 6.338 0.000 -0.407) 6.351 4.296 ( 0.734 0.000 -2.802) 2.897 4.342 ( -3.300 0.000 1.072) 3.470 4.353 ( -0.984 0.000 -2.302) 2.503 4.362 ( -1.978 0.000 1.383) 2.414 4.500 ( 1.197 0.000 -0.363) 1.250 4.550 ( 2.015 0.000 -0.777) 2.160 4.559 ( -2.701 0.000 1.858) 3.278 4.585 ( 1.840 0.000 -2.609) 3.192 4.715 ( 3.299 0.000 -0.783) 3.391 4.754 ( 2.385 0.000 5.009) 5.548 4.878 ( 1.314 0.000 0.536) 1.419 4.907 ( 2.879 0.000 -0.517) 2.925 5.155 ( 0.972 0.000 -1.595) 1.867 5.162 ( 2.927 0.000 0.942) 3.075 5.246 ( 3.350 0.000 1.246) 3.574 5.308 ( 0.635 0.000 2.131) 2.223 5.411 ( -0.860 0.000 -4.190) 4.277 5.453 ( -2.143 0.000 -4.600) 5.074 5.556 ( 1.550 0.000 3.822) 4.125 5.562 ( -2.310 0.000 2.436) 3.357 5.634 ( -5.496 0.000 -0.121) 5.497 5.671 ( 1.965 0.000 -0.315) 1.990 5.737 ( 1.292 0.000 -1.245) 1.794 5.755 ( -2.389 0.000 1.616) 2.885 5.911 ( 0.412 0.000 -1.207) 1.275 5.922 ( 0.203 0.000 -0.565) 0.600 5.933 ( -1.050 0.000 0.103) 1.055 6.013 ( -2.968 0.000 0.683) 3.046 6.160 ( -2.809 0.000 -1.621) 3.243 6.242 ( -0.858 0.000 1.588) 1.805 6.256 ( 0.378 0.000 0.324) 0.498 6.281 ( -0.190 0.000 -0.607) 0.636 6.290 ( 0.310 0.000 0.018) 0.310 6.348 ( -0.317 0.000 0.217) 0.384 6.447 ( 1.200 0.000 -0.933) 1.520 6.497 ( -0.038 0.000 1.007) 1.007 6.503 ( 1.863 0.000 0.268) 1.882 6.553 ( 0.098 0.000 -0.531) 0.540 6.639 ( 0.883 0.000 0.586) 1.060 6.729 ( 2.098 0.000 0.918) 2.290 6.745 ( 1.770 0.000 -2.678) 3.210 6.818 ( 2.483 0.000 1.510) 2.906 6.825 ( 0.195 0.000 0.804) 0.827 6.845 ( 2.080 0.000 -0.583) 2.160 6.869 ( 0.072 0.000 -0.513) 0.518 6.890 ( 0.908 0.000 0.776) 1.194 6.908 ( 1.392 0.000 0.658) 1.540 6.912 ( 0.441 0.000 -0.807) 0.920 7.017 ( -2.690 0.000 -1.010) 2.874 7.054 ( -0.624 0.000 0.397) 0.739 7.092 ( -1.265 0.000 -0.126) 1.271 7.108 ( -1.032 0.000 0.251) 1.062 7.180 ( -0.823 0.000 0.518) 0.972 7.194 ( -0.488 0.000 -0.499) 0.698 7.282 ( 1.985 0.000 -0.751) 2.122 7.282 ( 1.142 0.000 0.409) 1.212 7.338 ( 0.111 0.000 1.182) 1.187 7.361 ( 0.323 0.000 -1.166) 1.209 7.404 ( 0.240 0.000 0.005) 0.240 7.467 ( 0.543 0.000 -0.167) 0.568 7.470 ( 0.411 0.000 0.229) 0.470 7.476 ( 0.475 0.000 0.317) 0.571 7.571 ( -0.806 0.000 -0.695) 1.065 7.614 ( -0.275 0.000 0.533) 0.599 7.695 ( 0.523 0.000 0.033) 0.524 7.734 ( 1.465 0.000 0.308) 1.497 7.761 ( -0.885 0.000 0.094) 0.890 7.763 ( 0.044 0.000 -0.358) 0.361 7.813 ( -0.316 0.000 -0.024) 0.317 7.818 ( 1.229 0.000 -0.220) 1.249 7.901 ( 1.645 0.000 -0.126) 1.650 7.912 ( 0.036 0.000 0.592) 0.593 7.978 ( -1.694 0.000 -0.321) 1.725 7.988 ( -2.376 0.000 -0.176) 2.382 8.005 ( -2.096 0.000 -0.817) 2.250 8.044 ( -0.310 0.000 0.146) 0.343 8.048 ( -0.142 0.000 1.793) 1.799 8.074 ( -0.965 0.000 -0.191) 0.984 8.094 ( -0.842 0.000 0.013) 0.842 8.095 ( -0.482 0.000 -0.164) 0.509 8.155 ( -0.506 0.000 -1.659) 1.734 8.214 ( -1.731 0.000 1.048) 2.024 8.376 ( -2.438 0.000 -0.171) 2.444 8.382 ( -2.217 0.000 0.291) 2.236 8.415 ( -1.475 0.000 -0.235) 1.494 8.427 ( -1.520 0.000 0.120) 1.525 10.216 ( -0.614 0.000 0.607) 0.864 10.233 ( -1.957 0.000 -0.657) 2.064 10.392 ( -0.261 0.000 -0.128) 0.291 10.401 ( 0.124 0.000 0.256) 0.284 10.427 ( -0.969 0.000 0.017) 0.970 10.433 ( -2.020 0.000 -0.054) 2.020 12.297 ( -0.575 0.000 0.035) 0.576 12.311 ( -0.966 0.000 -0.025) 0.966 12.385 ( 1.413 0.000 -0.233) 1.432 12.392 ( 1.191 0.000 0.220) 1.211 12.447 ( 0.011 0.000 -0.030) 0.032 12.460 ( -0.771 0.000 0.042) 0.772 14.614 ( 0.272 0.000 0.005) 0.272 14.619 ( 0.317 0.000 -0.007) 0.317 14.924 ( -0.634 0.000 0.214) 0.669 14.959 ( -0.329 0.000 -0.408) 0.524 14.999 ( -0.495 0.000 0.284) 0.570 15.022 ( -0.380 0.000 -0.096) 0.392 15.630 ( 0.086 0.000 -0.670) 0.675 15.641 ( 1.007 0.000 0.699) 1.226 15.701 ( -0.978 0.000 -1.549) 1.832 15.729 ( -0.337 0.000 1.477) 1.515 15.946 ( 0.888 0.000 -0.859) 1.235 15.956 ( 1.504 0.000 1.230) 1.943 16.069 ( 0.841 0.000 1.535) 1.750 16.077 ( -0.139 0.000 -1.913) 1.918 16.177 ( 0.475 0.000 -0.206) 0.518 16.207 ( 1.431 0.000 0.131) 1.437 16.256 ( 1.417 0.000 0.870) 1.663 16.302 ( 1.324 0.000 -0.573) 1.443 16.369 ( 2.216 0.000 -0.110) 2.219 16.391 ( -0.206 0.000 0.084) 0.222 16.419 ( 1.611 0.000 0.609) 1.722 16.446 ( 0.225 0.000 -0.985) 1.010 16.529 ( 2.220 0.000 1.259) 2.552 16.544 ( 1.308 0.000 -1.200) 1.775 16.626 ( -3.179 0.000 1.795) 3.651 16.660 ( -3.377 0.000 -1.590) 3.732 16.869 ( 1.927 0.000 -0.199) 1.937 16.934 ( -0.804 0.000 0.201) 0.828 17.314 ( 4.357 0.000 0.686) 4.410 17.338 ( 3.589 0.000 -0.695) 3.656 ======================= Grid point 4 (5/39) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 0.000 -0.000) 0.000 0.628 ( -0.000 0.000 -0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 0.731 ( 0.000 0.000 0.000) 0.000 0.760 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 -0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.891 ( 0.000 0.000 -0.000) 0.000 0.913 ( 0.000 0.000 -0.000) 0.000 0.943 ( 0.000 0.000 -0.000) 0.000 0.956 ( -0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 -0.000) 0.000 1.048 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 -0.000) 0.000 1.076 ( 0.000 0.000 -0.000) 0.000 1.136 ( 0.000 0.000 -0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 -0.000) 0.000 1.185 ( 0.000 0.000 -0.000) 0.000 1.207 ( 0.000 0.000 -0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 -0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 -0.000) 0.000 1.282 ( 0.000 0.000 -0.000) 0.000 1.290 ( 0.000 0.000 -0.000) 0.000 1.320 ( -0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 -0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 -0.000) 0.000 1.431 ( 0.000 0.000 -0.000) 0.000 1.485 ( 0.000 0.000 -0.000) 0.000 1.507 ( 0.000 0.000 -0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 -0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.623 ( -0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 -0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.663 ( -0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 -0.000) 0.000 1.708 ( 0.000 0.000 -0.000) 0.000 1.710 ( 0.000 0.000 -0.000) 0.000 1.760 ( 0.000 0.000 -0.000) 0.000 1.772 ( 0.000 0.000 -0.000) 0.000 1.792 ( 0.000 0.000 -0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.854 ( -0.000 0.000 -0.000) 0.000 1.886 ( 0.000 0.000 -0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.028 ( -0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 -0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 -0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 -0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 -0.000) 0.000 2.418 ( 0.000 0.000 -0.000) 0.000 2.592 ( 0.000 0.000 -0.000) 0.000 2.638 ( 0.000 0.000 -0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 -0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 -0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.383 ( -0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 -0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.008 ( -0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 -0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 -0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 -0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 -0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 -0.000) 0.000 4.603 ( 0.000 0.000 -0.000) 0.000 4.753 ( 0.000 0.000 -0.000) 0.000 4.801 ( 0.000 0.000 -0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.260 ( -0.000 0.000 -0.000) 0.000 5.301 ( 0.000 0.000 -0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 -0.000) 0.000 5.702 ( 0.000 0.000 -0.000) 0.000 5.730 ( -0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 -0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 -0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 -0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 -0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 -0.000) 0.000 6.535 ( 0.000 0.000 -0.000) 0.000 6.540 ( 0.000 0.000 -0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 -0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 -0.000) 0.000 6.871 ( 0.000 0.000 -0.000) 0.000 6.891 ( -0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 -0.000) 0.000 6.918 ( 0.000 0.000 -0.000) 0.000 6.931 ( 0.000 0.000 -0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 -0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 -0.000) 0.000 7.310 ( -0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 -0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 -0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 7.697 ( 0.000 0.000 -0.000) 0.000 7.745 ( 0.000 0.000 -0.000) 0.000 7.755 ( 0.000 0.000 -0.000) 0.000 7.767 ( 0.000 0.000 -0.000) 0.000 7.807 ( 0.000 0.000 -0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 -0.000) 0.000 7.928 ( 0.000 0.000 -0.000) 0.000 7.954 ( 0.000 0.000 -0.000) 0.000 7.959 ( 0.000 0.000 -0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 -0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 -0.000) 0.000 8.090 ( 0.000 0.000 -0.000) 0.000 8.146 ( 0.000 0.000 -0.000) 0.000 8.195 ( 0.000 0.000 -0.000) 0.000 8.351 ( 0.000 0.000 -0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.400 ( 0.000 0.000 -0.000) 0.000 8.411 ( 0.000 0.000 -0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 -0.000) 0.000 10.404 ( -0.000 0.000 -0.000) 0.000 10.407 ( -0.000 0.000 -0.000) 0.000 10.412 ( 0.000 0.000 -0.000) 0.000 12.291 ( 0.000 0.000 -0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.405 ( 0.000 0.000 -0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 -0.000) 0.000 14.616 ( 0.000 0.000 -0.000) 0.000 14.622 ( 0.000 0.000 -0.000) 0.000 14.918 ( 0.000 0.000 -0.000) 0.000 14.955 ( 0.000 0.000 -0.000) 0.000 14.994 ( 0.000 0.000 -0.000) 0.000 15.018 ( 0.000 0.000 -0.000) 0.000 15.631 ( 0.000 0.000 -0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.725 ( 0.000 0.000 0.000) 0.000 15.954 ( 0.000 0.000 -0.000) 0.000 15.973 ( 0.000 0.000 -0.000) 0.000 16.074 ( 0.000 0.000 -0.000) 0.000 16.078 ( 0.000 0.000 -0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.267 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 -0.000) 0.000 16.393 ( 0.000 0.000 -0.000) 0.000 16.435 ( 0.000 0.000 -0.000) 0.000 16.448 ( 0.000 0.000 0.000) 0.000 16.562 ( 0.000 0.000 -0.000) 0.000 16.568 ( 0.000 0.000 0.000) 0.000 16.583 ( 0.000 0.000 -0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.888 ( 0.000 0.000 -0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 -0.000) 0.000 17.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/39) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 14.028 0.000) 14.028 0.355 ( 0.000 15.550 0.000) 15.550 0.634 ( 0.000 -1.391 0.000) 1.391 0.651 ( 0.000 15.227 0.000) 15.227 0.654 ( 0.000 2.538 0.000) 2.538 0.705 ( 0.000 0.184 0.000) 0.184 0.740 ( 0.000 4.240 0.000) 4.240 0.767 ( 0.000 1.792 0.000) 1.792 0.838 ( 0.000 -3.367 0.000) 3.367 0.842 ( 0.000 -0.479 0.000) 0.479 0.852 ( 0.000 2.019 0.000) 2.019 0.879 ( 0.000 -0.321 0.000) 0.321 0.921 ( 0.000 -1.510 0.000) 1.510 0.934 ( 0.000 -1.273 0.000) 1.273 0.963 ( 0.000 -1.388 0.000) 1.388 0.963 ( 0.000 0.680 0.000) 0.680 1.000 ( 0.000 0.168 0.000) 0.168 1.004 ( 0.000 1.835 0.000) 1.835 1.046 ( 0.000 2.393 0.000) 2.393 1.047 ( 0.000 -1.114 0.000) 1.114 1.064 ( 0.000 2.330 0.000) 2.330 1.099 ( 0.000 -2.226 0.000) 2.226 1.117 ( 0.000 4.250 0.000) 4.250 1.133 ( 0.000 -0.205 0.000) 0.205 1.143 ( 0.000 2.627 0.000) 2.627 1.159 ( 0.000 0.508 0.000) 0.508 1.214 ( 0.000 -2.013 0.000) 2.013 1.247 ( 0.000 -3.043 0.000) 3.043 1.272 ( 0.000 -1.841 0.000) 1.841 1.276 ( 0.000 4.653 0.000) 4.653 1.324 ( 0.000 -0.176 0.000) 0.176 1.335 ( 0.000 -0.681 0.000) 0.681 1.349 ( 0.000 -0.368 0.000) 0.368 1.356 ( 0.000 0.554 0.000) 0.554 1.369 ( 0.000 -0.315 0.000) 0.315 1.384 ( 0.000 -1.033 0.000) 1.033 1.388 ( 0.000 -2.417 0.000) 2.417 1.450 ( 0.000 -0.386 0.000) 0.386 1.458 ( 0.000 -2.444 0.000) 2.444 1.544 ( 0.000 0.978 0.000) 0.978 1.551 ( 0.000 -2.469 0.000) 2.469 1.564 ( 0.000 -1.349 0.000) 1.349 1.634 ( 0.000 0.815 0.000) 0.815 1.667 ( 0.000 2.713 0.000) 2.713 1.679 ( 0.000 -4.465 0.000) 4.465 1.689 ( 0.000 0.741 0.000) 0.741 1.712 ( 0.000 -0.080 0.000) 0.080 1.790 ( 0.000 1.321 0.000) 1.321 1.797 ( 0.000 -0.509 0.000) 0.509 1.838 ( 0.000 0.719 0.000) 0.719 1.866 ( 0.000 1.835 0.000) 1.835 1.899 ( 0.000 1.215 0.000) 1.215 1.914 ( 0.000 -2.533 0.000) 2.533 1.958 ( 0.000 -1.771 0.000) 1.771 1.987 ( 0.000 -1.506 0.000) 1.506 2.008 ( 0.000 -0.265 0.000) 0.265 2.052 ( 0.000 -1.645 0.000) 1.645 2.053 ( 0.000 1.130 0.000) 1.130 2.112 ( 0.000 -3.282 0.000) 3.282 2.157 ( 0.000 -1.814 0.000) 1.814 2.302 ( 0.000 2.930 0.000) 2.930 2.308 ( 0.000 0.825 0.000) 0.825 2.343 ( 0.000 3.498 0.000) 3.498 2.354 ( 0.000 3.146 0.000) 3.146 2.412 ( 0.000 2.098 0.000) 2.098 2.444 ( 0.000 -0.265 0.000) 0.265 2.499 ( 0.000 1.650 0.000) 1.650 2.518 ( 0.000 3.167 0.000) 3.167 2.567 ( 0.000 1.785 0.000) 1.785 2.590 ( 0.000 -0.933 0.000) 0.933 2.722 ( 0.000 -5.551 0.000) 5.551 2.732 ( 0.000 -5.607 0.000) 5.607 3.292 ( 0.000 -0.462 0.000) 0.462 3.314 ( 0.000 -2.250 0.000) 2.250 3.347 ( 0.000 0.282 0.000) 0.282 3.419 ( 0.000 -1.847 0.000) 1.847 3.496 ( 0.000 1.535 0.000) 1.535 3.562 ( 0.000 -0.835 0.000) 0.835 3.634 ( 0.000 -0.862 0.000) 0.862 3.673 ( 0.000 -1.380 0.000) 1.380 3.744 ( 0.000 0.732 0.000) 0.732 3.773 ( 0.000 -1.247 0.000) 1.247 3.838 ( 0.000 3.487 0.000) 3.487 3.925 ( 0.000 -0.567 0.000) 0.567 4.018 ( 0.000 -3.531 0.000) 3.531 4.032 ( 0.000 -3.514 0.000) 3.514 4.096 ( 0.000 -2.381 0.000) 2.381 4.170 ( 0.000 1.851 0.000) 1.851 4.204 ( 0.000 -3.739 0.000) 3.739 4.240 ( 0.000 1.285 0.000) 1.285 4.273 ( 0.000 -0.086 0.000) 0.086 4.306 ( 0.000 -0.607 0.000) 0.607 4.546 ( 0.000 3.285 0.000) 3.285 4.565 ( 0.000 1.656 0.000) 1.656 4.593 ( 0.000 2.325 0.000) 2.325 4.618 ( 0.000 3.383 0.000) 3.383 4.689 ( 0.000 0.663 0.000) 0.663 4.694 ( 0.000 0.709 0.000) 0.709 4.801 ( 0.000 -2.096 0.000) 2.096 4.810 ( 0.000 -3.107 0.000) 3.107 4.940 ( 0.000 9.735 0.000) 9.735 4.957 ( 0.000 7.466 0.000) 7.466 5.145 ( 0.000 3.466 0.000) 3.466 5.339 ( 0.000 -2.833 0.000) 2.833 5.362 ( 0.000 -3.280 0.000) 3.280 5.454 ( 0.000 -9.300 0.000) 9.300 5.500 ( 0.000 -0.081 0.000) 0.081 5.507 ( 0.000 -2.109 0.000) 2.109 5.615 ( 0.000 1.814 0.000) 1.814 5.652 ( 0.000 1.716 0.000) 1.716 5.824 ( 0.000 -3.487 0.000) 3.487 5.839 ( 0.000 -2.939 0.000) 2.939 5.901 ( 0.000 -0.645 0.000) 0.645 5.925 ( 0.000 -2.135 0.000) 2.135 6.120 ( 0.000 1.481 0.000) 1.481 6.162 ( 0.000 0.628 0.000) 0.628 6.268 ( 0.000 -1.637 0.000) 1.637 6.269 ( 0.000 -0.712 0.000) 0.712 6.277 ( 0.000 -0.175 0.000) 0.175 6.311 ( 0.000 0.061 0.000) 0.061 6.334 ( 0.000 0.265 0.000) 0.265 6.370 ( 0.000 -0.443 0.000) 0.443 6.388 ( 0.000 -0.790 0.000) 0.790 6.417 ( 0.000 -2.767 0.000) 2.767 6.424 ( 0.000 -0.273 0.000) 0.273 6.466 ( 0.000 -2.094 0.000) 2.094 6.514 ( 0.000 2.738 0.000) 2.738 6.530 ( 0.000 2.311 0.000) 2.311 6.587 ( 0.000 1.861 0.000) 1.861 6.613 ( 0.000 1.653 0.000) 1.653 6.853 ( 0.000 0.274 0.000) 0.274 6.868 ( 0.000 0.877 0.000) 0.877 6.878 ( 0.000 -0.746 0.000) 0.746 6.898 ( 0.000 -0.036 0.000) 0.036 6.919 ( 0.000 0.119 0.000) 0.119 6.934 ( 0.000 -0.494 0.000) 0.494 7.094 ( 0.000 -1.302 0.000) 1.302 7.105 ( 0.000 -1.670 0.000) 1.670 7.165 ( 0.000 0.466 0.000) 0.466 7.178 ( 0.000 -0.594 0.000) 0.594 7.205 ( 0.000 -1.588 0.000) 1.588 7.212 ( 0.000 -1.410 0.000) 1.410 7.309 ( 0.000 1.536 0.000) 1.536 7.318 ( 0.000 1.225 0.000) 1.225 7.322 ( 0.000 1.622 0.000) 1.622 7.367 ( 0.000 -0.329 0.000) 0.329 7.381 ( 0.000 1.518 0.000) 1.518 7.397 ( 0.000 1.115 0.000) 1.115 7.405 ( 0.000 1.442 0.000) 1.442 7.417 ( 0.000 1.562 0.000) 1.562 7.605 ( 0.000 -1.942 0.000) 1.942 7.616 ( 0.000 -2.364 0.000) 2.364 7.638 ( 0.000 1.578 0.000) 1.578 7.678 ( 0.000 0.796 0.000) 0.796 7.753 ( 0.000 -0.084 0.000) 0.084 7.780 ( 0.000 -1.261 0.000) 1.261 7.818 ( 0.000 1.943 0.000) 1.943 7.874 ( 0.000 3.482 0.000) 3.482 7.878 ( 0.000 -1.462 0.000) 1.462 7.891 ( 0.000 2.309 0.000) 2.309 8.005 ( 0.000 -1.342 0.000) 1.342 8.024 ( 0.000 1.069 0.000) 1.069 8.041 ( 0.000 -2.398 0.000) 2.398 8.065 ( 0.000 -0.187 0.000) 0.187 8.087 ( 0.000 1.519 0.000) 1.519 8.136 ( 0.000 -0.441 0.000) 0.441 8.164 ( 0.000 -0.370 0.000) 0.370 8.178 ( 0.000 0.013 0.000) 0.013 8.212 ( 0.000 0.839 0.000) 0.839 8.238 ( 0.000 -1.332 0.000) 1.332 8.496 ( 0.000 -0.611 0.000) 0.611 8.496 ( 0.000 -0.544 0.000) 0.544 8.521 ( 0.000 0.389 0.000) 0.389 8.530 ( 0.000 -0.021 0.000) 0.021 10.304 ( 0.000 0.745 0.000) 0.745 10.340 ( 0.000 -0.425 0.000) 0.425 10.410 ( 0.000 0.299 0.000) 0.299 10.431 ( 0.000 -0.527 0.000) 0.527 10.446 ( 0.000 0.239 0.000) 0.239 10.489 ( 0.000 -1.063 0.000) 1.063 12.320 ( 0.000 0.661 0.000) 0.661 12.339 ( 0.000 0.101 0.000) 0.101 12.380 ( 0.000 -0.105 0.000) 0.105 12.406 ( 0.000 -0.823 0.000) 0.823 12.444 ( 0.000 0.780 0.000) 0.780 12.496 ( 0.000 -1.320 0.000) 1.320 14.585 ( 0.000 0.014 0.000) 0.014 14.585 ( 0.000 0.025 0.000) 0.025 14.976 ( 0.000 0.659 0.000) 0.659 14.995 ( 0.000 0.659 0.000) 0.659 15.013 ( 0.000 -0.595 0.000) 0.595 15.030 ( 0.000 -0.709 0.000) 0.709 15.605 ( 0.000 0.302 0.000) 0.302 15.614 ( 0.000 -0.121 0.000) 0.121 15.640 ( 0.000 1.921 0.000) 1.921 15.801 ( 0.000 -5.314 0.000) 5.314 15.882 ( 0.000 0.410 0.000) 0.410 15.892 ( 0.000 0.041 0.000) 0.041 15.993 ( 0.000 1.182 0.000) 1.182 16.023 ( 0.000 -0.373 0.000) 0.373 16.105 ( 0.000 0.925 0.000) 0.925 16.128 ( 0.000 0.939 0.000) 0.939 16.142 ( 0.000 0.766 0.000) 0.766 16.163 ( 0.000 0.363 0.000) 0.363 16.242 ( 0.000 1.041 0.000) 1.041 16.252 ( 0.000 2.205 0.000) 2.205 16.378 ( 0.000 -3.306 0.000) 3.306 16.404 ( 0.000 -2.976 0.000) 2.976 16.618 ( 0.000 5.308 0.000) 5.308 16.640 ( 0.000 1.058 0.000) 1.058 16.706 ( 0.000 1.027 0.000) 1.027 16.827 ( 0.000 -1.335 0.000) 1.335 16.898 ( 0.000 1.534 0.000) 1.534 16.962 ( 0.000 -0.978 0.000) 0.978 17.019 ( 0.000 -0.100 0.000) 0.100 17.027 ( 0.000 -0.333 0.000) 0.333 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 9.295 8.617 0.571) 12.687 0.461 ( 9.536 9.364 -2.503) 13.598 0.628 ( 0.404 0.416 1.283) 1.408 0.651 ( 0.179 -1.183 -0.383) 1.256 0.690 ( 1.069 -2.488 -0.299) 2.724 0.752 ( 3.282 -1.643 -0.214) 3.676 0.777 ( -0.344 0.184 -0.194) 0.436 0.804 ( 1.567 -1.435 -1.046) 2.368 0.850 ( 0.445 2.564 2.031) 3.301 0.851 ( 2.234 -1.882 -0.047) 2.922 0.872 ( 0.073 0.013 -2.944) 2.945 0.892 ( 0.019 -0.870 -0.443) 0.977 0.924 ( -1.473 -1.322 -0.720) 2.106 0.945 ( 1.352 -1.014 -0.148) 1.696 0.962 ( 1.225 -1.161 -1.405) 2.196 0.976 ( 1.331 -0.836 0.499) 1.649 0.991 ( 1.536 1.604 1.109) 2.482 1.010 ( 2.209 3.681 0.770) 4.361 1.055 ( 1.151 0.419 -0.564) 1.348 1.086 ( -0.383 -1.687 0.414) 1.778 1.107 ( 4.528 5.187 0.680) 6.918 1.109 ( 2.424 1.779 -0.756) 3.100 1.131 ( 0.455 2.746 -0.335) 2.804 1.149 ( 4.360 4.194 0.943) 6.123 1.152 ( 1.328 0.135 0.845) 1.580 1.199 ( 0.551 -1.525 -1.277) 2.064 1.200 ( 3.486 1.490 -0.761) 3.867 1.245 ( 0.087 1.392 0.435) 1.461 1.287 ( 1.822 -2.775 -0.047) 3.320 1.299 ( 0.092 -0.126 -0.722) 0.739 1.308 ( 1.264 3.986 0.357) 4.197 1.331 ( 2.242 -0.183 0.295) 2.269 1.361 ( 0.791 0.725 0.110) 1.079 1.374 ( 1.177 -1.264 1.179) 2.091 1.413 ( 0.894 -0.370 -1.107) 1.470 1.430 ( 4.243 -0.651 0.662) 4.344 1.450 ( 2.324 1.382 -0.908) 2.853 1.470 ( 4.137 1.091 1.169) 4.435 1.514 ( 5.500 -2.235 0.477) 5.956 1.546 ( 0.730 0.611 -0.802) 1.245 1.560 ( -0.258 -2.433 0.083) 2.448 1.587 ( 1.480 -0.940 1.103) 2.072 1.616 ( -0.565 -0.518 -0.638) 0.997 1.651 ( -0.973 1.229 0.375) 1.612 1.669 ( -0.704 0.216 -0.048) 0.739 1.690 ( 1.869 -2.502 0.413) 3.150 1.712 ( 0.139 -0.435 2.030) 2.081 1.782 ( -0.915 -1.701 -0.944) 2.150 1.822 ( 1.166 0.248 2.705) 2.956 1.855 ( 0.842 0.464 -0.681) 1.178 1.865 ( 0.281 1.458 -0.923) 1.749 1.882 ( -0.731 -1.240 -0.340) 1.479 1.902 ( 0.085 1.244 -0.070) 1.249 1.938 ( -1.578 -0.413 -0.171) 1.640 2.004 ( 2.208 -0.498 0.278) 2.280 2.035 ( 2.518 -0.126 0.470) 2.564 2.068 ( 2.222 -0.111 -2.370) 3.251 2.100 ( 2.880 -0.972 -2.436) 3.895 2.136 ( 1.629 -2.278 1.940) 3.407 2.160 ( 0.693 -2.449 0.087) 2.547 2.267 ( -2.441 1.311 -0.819) 2.890 2.302 ( -1.781 1.442 0.132) 2.296 2.338 ( -0.846 3.552 1.271) 3.866 2.346 ( -0.637 3.279 -0.294) 3.354 2.396 ( -2.669 1.968 -0.882) 3.431 2.438 ( 0.907 2.197 1.485) 2.803 2.466 ( -2.342 0.928 0.178) 2.525 2.513 ( -1.772 1.620 0.560) 2.465 2.546 ( -1.359 0.757 -0.187) 1.567 2.560 ( -1.914 0.589 -0.874) 2.185 2.713 ( -0.946 -6.002 -0.492) 6.096 2.730 ( -0.293 -5.739 0.160) 5.748 3.246 ( -1.020 1.072 -1.632) 2.203 3.316 ( -0.196 -0.006 2.117) 2.126 3.338 ( -0.815 -2.085 1.673) 2.795 3.417 ( 0.235 -3.681 -1.733) 4.076 3.465 ( -2.164 1.795 1.291) 3.093 3.573 ( -0.571 -2.822 -1.904) 3.451 3.672 ( 1.809 -1.625 -0.344) 2.456 3.696 ( 1.986 -1.813 -0.905) 2.837 3.762 ( 0.180 1.095 1.085) 1.552 3.787 ( 1.482 0.511 2.104) 2.624 3.825 ( 2.307 5.232 0.554) 5.745 3.885 ( -2.463 0.758 -0.062) 2.578 3.972 ( -1.593 -2.269 -1.515) 3.159 4.059 ( -0.615 -3.991 -0.462) 4.064 4.101 ( 1.453 -2.034 -2.086) 3.255 4.175 ( -1.464 -1.495 2.369) 3.161 4.188 ( 1.663 0.256 1.330) 2.145 4.263 ( 2.210 0.068 -1.713) 2.797 4.349 ( 5.167 3.992 -0.142) 6.531 4.395 ( 6.913 0.686 -0.724) 6.985 4.510 ( -2.721 1.309 0.585) 3.076 4.572 ( -0.218 1.254 1.338) 1.847 4.583 ( -2.811 -0.533 0.281) 2.875 4.592 ( -0.054 1.345 0.664) 1.501 4.636 ( -0.925 1.107 -0.730) 1.617 4.689 ( 0.098 -1.003 0.211) 1.029 4.856 ( 3.222 5.004 0.896) 6.019 4.944 ( 2.213 6.868 -2.386) 7.600 4.957 ( 7.890 1.141 2.255) 8.285 5.029 ( 6.755 2.409 -0.221) 7.175 5.133 ( -0.445 3.693 -1.392) 3.972 5.273 ( -2.947 -2.385 -3.535) 5.183 5.396 ( 0.578 -4.303 2.158) 4.849 5.441 ( -0.466 -7.409 0.546) 7.444 5.518 ( 0.192 -1.180 -1.628) 2.020 5.539 ( 1.742 0.199 4.366) 4.705 5.589 ( 0.563 -0.322 0.902) 1.111 5.677 ( 0.133 -0.346 -3.003) 3.026 5.816 ( 0.654 -2.289 0.499) 2.432 5.862 ( 1.220 -1.564 0.533) 2.054 5.909 ( -0.018 -0.351 -0.167) 0.389 5.936 ( 0.772 -2.075 -0.390) 2.248 6.026 ( -8.151 0.796 -0.474) 8.204 6.076 ( -6.705 -0.660 0.470) 6.754 6.248 ( -0.529 -0.506 0.199) 0.758 6.256 ( -1.122 0.099 -1.926) 2.231 6.287 ( -0.477 -2.514 -0.112) 2.562 6.300 ( -0.339 0.688 0.981) 1.246 6.308 ( -2.297 -0.403 -0.232) 2.344 6.337 ( -1.684 -0.696 0.703) 1.953 6.380 ( 1.365 -0.320 -0.985) 1.714 6.427 ( 1.148 -1.915 0.756) 2.357 6.486 ( 1.144 -0.051 0.160) 1.156 6.522 ( 4.689 0.852 -0.001) 4.766 6.529 ( 2.389 -0.343 -0.204) 2.422 6.571 ( 2.742 1.391 0.270) 3.086 6.637 ( 3.716 2.030 -0.235) 4.241 6.644 ( 3.845 1.307 0.299) 4.072 6.840 ( -1.233 0.362 -0.062) 1.286 6.858 ( -0.879 0.743 0.060) 1.153 6.867 ( -0.733 -0.397 -0.042) 0.835 6.890 ( -0.692 0.017 0.412) 0.806 6.919 ( -0.191 0.111 0.826) 0.855 6.928 ( -0.463 -0.108 -0.822) 0.950 7.089 ( -0.548 -1.013 0.147) 1.161 7.109 ( 0.157 -1.373 -0.233) 1.402 7.157 ( -0.954 0.561 0.549) 1.235 7.173 ( -1.039 -1.038 0.161) 1.478 7.183 ( -1.018 -0.712 -1.112) 1.668 7.206 ( -0.727 -1.331 0.323) 1.550 7.271 ( -2.293 2.100 -0.104) 3.111 7.315 ( -0.684 2.725 0.335) 2.830 7.335 ( 0.507 0.207 0.495) 0.738 7.363 ( -0.353 0.463 -0.930) 1.097 7.379 ( 0.509 1.037 -0.066) 1.157 7.419 ( 1.606 1.028 0.041) 1.907 7.426 ( 1.633 -0.344 -0.069) 1.670 7.436 ( 1.244 0.742 -0.019) 1.449 7.600 ( -0.625 -1.893 -0.166) 2.001 7.609 ( -0.420 -2.558 0.214) 2.601 7.651 ( 1.010 1.456 -0.104) 1.775 7.678 ( 0.425 1.061 0.075) 1.146 7.756 ( 0.422 0.036 -0.060) 0.427 7.780 ( -0.001 -0.941 0.078) 0.945 7.832 ( 1.181 2.103 0.393) 2.443 7.862 ( -0.681 3.238 -0.443) 3.338 7.878 ( -0.282 0.086 0.085) 0.307 7.893 ( 0.412 0.721 -0.301) 0.883 8.002 ( -0.122 -1.443 -0.124) 1.453 8.025 ( -0.465 -1.536 0.321) 1.637 8.048 ( 0.559 -0.256 -0.157) 0.635 8.056 ( -0.608 0.050 0.455) 0.761 8.094 ( -0.318 0.644 -0.103) 0.726 8.119 ( -1.881 -0.655 -0.675) 2.103 8.140 ( -0.856 1.334 0.684) 1.726 8.159 ( -1.455 0.857 -0.800) 1.869 8.202 ( -0.949 0.857 -0.948) 1.592 8.242 ( -0.007 -1.405 1.024) 1.739 8.468 ( -2.287 -0.499 -0.069) 2.342 8.483 ( -1.506 -0.517 0.033) 1.593 8.505 ( -1.972 0.509 0.065) 2.038 8.507 ( -1.521 0.341 -0.048) 1.559 10.284 ( -1.803 0.829 0.120) 1.988 10.323 ( -1.721 -0.418 -0.364) 1.808 10.411 ( -0.073 0.198 0.167) 0.269 10.423 ( -0.723 0.151 1.071) 1.301 10.445 ( -0.200 -0.331 -0.884) 0.965 10.481 ( -0.756 -1.090 0.021) 1.327 12.310 ( -1.111 0.171 0.216) 1.144 12.325 ( -0.288 -0.058 0.244) 0.382 12.369 ( -0.069 1.034 -0.639) 1.217 12.401 ( -1.075 0.654 1.474) 1.938 12.443 ( 0.461 0.296 -2.734) 2.788 12.488 ( -0.932 -1.350 0.868) 1.856 14.592 ( 0.629 0.046 0.011) 0.631 14.593 ( 0.739 0.006 -0.014) 0.740 14.968 ( -0.800 0.737 0.122) 1.094 14.989 ( -0.519 0.710 -0.221) 0.907 15.009 ( -0.393 -0.742 0.159) 0.854 15.028 ( -0.223 -0.730 -0.070) 0.767 15.612 ( 0.711 0.668 0.643) 1.169 15.642 ( 0.299 1.787 -0.670) 1.932 15.669 ( 2.782 -2.608 4.639) 6.005 15.766 ( -2.463 -3.103 -3.049) 4.999 15.892 ( 1.032 0.404 0.881) 1.416 15.901 ( 1.067 0.074 -0.912) 1.405 16.018 ( 1.964 1.338 0.585) 2.448 16.062 ( 2.959 -0.164 -0.796) 3.069 16.136 ( 1.774 1.139 -0.580) 2.186 16.148 ( 1.986 0.746 -0.040) 2.122 16.161 ( 1.762 1.477 0.573) 2.369 16.197 ( 3.362 -1.544 0.500) 3.733 16.260 ( 2.055 0.678 -0.894) 2.341 16.284 ( 2.906 0.617 0.970) 3.125 16.390 ( 0.502 -3.425 -0.227) 3.469 16.410 ( 0.990 -2.829 0.040) 2.998 16.555 ( -4.795 4.220 1.851) 6.651 16.624 ( -0.964 5.547 -2.153) 6.028 16.694 ( -0.875 -2.637 1.467) 3.141 16.794 ( -3.303 -1.429 -0.219) 3.606 16.851 ( -3.517 3.589 -0.074) 5.025 16.973 ( -0.979 -1.522 0.144) 1.815 17.069 ( 5.415 -0.202 0.458) 5.438 17.097 ( 6.914 -1.452 -1.389) 7.200 ======================= Grid point 11 (8/39) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 3.702 1.635 0.354) 4.063 0.610 ( 0.106 -0.863 -1.145) 1.437 0.646 ( 5.527 3.409 -1.861) 6.755 0.679 ( 2.658 -3.013 0.605) 4.063 0.717 ( 1.915 -2.059 0.361) 2.835 0.764 ( -0.277 -1.712 -0.345) 1.768 0.802 ( 0.968 -3.996 -0.570) 4.151 0.836 ( 1.929 -1.670 -0.419) 2.586 0.843 ( 1.885 1.204 -0.746) 2.358 0.866 ( 0.039 -0.059 0.188) 0.201 0.883 ( 0.691 0.733 -1.682) 1.960 0.904 ( 1.950 -0.837 0.549) 2.192 0.937 ( 2.343 -2.716 0.791) 3.673 0.960 ( 0.355 -1.475 1.929) 2.454 0.973 ( 0.867 -3.484 -1.129) 3.764 0.991 ( 0.723 0.718 -0.765) 1.274 1.033 ( 1.233 -1.811 0.470) 2.241 1.060 ( 1.971 1.827 0.214) 2.697 1.086 ( -0.020 -1.157 -0.305) 1.197 1.110 ( 3.793 -0.026 -1.296) 4.009 1.122 ( 1.671 3.716 0.026) 4.074 1.148 ( 1.189 1.321 1.769) 2.508 1.162 ( 2.033 1.326 -1.534) 2.871 1.182 ( 1.039 -1.414 1.397) 2.242 1.199 ( 0.312 0.026 0.639) 0.711 1.220 ( 1.682 -1.482 -1.139) 2.515 1.242 ( 2.172 2.385 -0.072) 3.227 1.275 ( 0.140 -0.652 -0.881) 1.106 1.316 ( 0.642 2.567 0.421) 2.680 1.337 ( 0.843 1.240 -0.499) 1.581 1.356 ( 0.573 1.085 -0.898) 1.521 1.380 ( 2.832 1.324 0.601) 3.183 1.404 ( 3.595 0.007 -0.045) 3.595 1.414 ( 4.004 1.204 0.589) 4.223 1.437 ( 2.364 0.387 -0.728) 2.503 1.472 ( 2.381 1.278 0.663) 2.782 1.498 ( -1.061 0.352 -0.321) 1.163 1.529 ( 1.753 -0.636 0.495) 1.930 1.553 ( 0.536 -0.288 1.244) 1.385 1.587 ( 1.054 -1.125 -1.043) 1.861 1.604 ( 3.720 1.210 -0.785) 3.990 1.609 ( 0.960 -0.620 0.052) 1.144 1.642 ( 0.385 -1.123 0.175) 1.200 1.670 ( 4.372 -1.410 1.079) 4.719 1.701 ( 3.341 0.675 0.692) 3.478 1.714 ( 1.201 -1.554 0.510) 2.029 1.742 ( 1.995 0.719 0.590) 2.201 1.760 ( -0.950 -2.296 0.669) 2.573 1.806 ( 0.098 -0.985 0.475) 1.098 1.840 ( -1.389 -0.206 1.551) 2.092 1.889 ( -0.990 0.553 -0.806) 1.391 1.910 ( 0.258 1.958 0.237) 1.989 1.930 ( 4.577 1.125 0.481) 4.738 1.942 ( 2.301 0.935 -1.005) 2.679 2.038 ( -1.438 0.495 -1.729) 2.303 2.091 ( 1.114 -1.987 -2.091) 3.092 2.104 ( 2.205 -0.794 0.913) 2.515 2.134 ( 2.303 0.246 0.183) 2.323 2.163 ( 1.132 -1.058 1.348) 2.054 2.196 ( 1.686 -1.424 0.637) 2.297 2.249 ( -0.082 0.908 -0.939) 1.309 2.259 ( 1.229 1.292 -1.396) 2.265 2.283 ( -3.048 3.109 1.401) 4.574 2.341 ( -0.330 2.864 -0.898) 3.020 2.387 ( -1.979 2.756 0.737) 3.473 2.398 ( -1.286 1.683 0.816) 2.270 2.444 ( -2.162 0.269 -2.228) 3.116 2.476 ( 1.950 1.404 1.815) 3.012 2.522 ( -1.543 -0.973 -1.133) 2.147 2.555 ( 1.789 0.618 1.000) 2.141 2.691 ( -1.098 -6.584 -0.547) 6.697 2.720 ( -0.688 -5.130 0.253) 5.182 3.266 ( 2.665 -0.119 -1.152) 2.906 3.307 ( -1.090 -2.054 1.199) 2.616 3.347 ( 2.644 -0.716 1.254) 3.012 3.427 ( -0.969 -0.399 2.273) 2.503 3.436 ( 0.527 -1.007 -3.407) 3.592 3.539 ( -1.949 -4.058 -0.468) 4.526 3.683 ( -0.290 -0.368 -0.239) 0.525 3.709 ( 0.940 -1.004 -0.967) 1.681 3.772 ( -0.538 2.182 2.873) 3.648 3.816 ( 0.460 3.031 1.834) 3.572 3.902 ( 4.921 1.810 -1.379) 5.422 3.940 ( 6.780 1.718 -0.430) 7.007 3.979 ( 3.434 -1.907 -2.391) 4.599 4.058 ( -0.075 -1.464 1.901) 2.401 4.110 ( 0.566 1.783 -2.126) 2.832 4.138 ( -0.722 0.887 2.520) 2.767 4.261 ( 2.729 0.055 -1.405) 3.070 4.299 ( 1.903 -0.616 -3.281) 3.843 4.391 ( -0.520 2.919 0.712) 3.049 4.462 ( -1.954 1.056 0.082) 2.223 4.502 ( 4.136 1.117 -1.734) 4.621 4.543 ( -1.488 1.833 0.352) 2.387 4.565 ( -0.338 0.116 1.763) 1.799 4.604 ( -1.730 0.110 5.084) 5.372 4.650 ( 3.044 -0.100 -2.941) 4.233 4.703 ( 1.852 -1.661 1.458) 2.884 4.921 ( 3.608 7.972 0.708) 8.779 4.955 ( 0.588 8.412 -1.097) 8.504 5.111 ( 5.550 0.275 1.274) 5.701 5.129 ( 1.904 1.790 0.189) 2.621 5.173 ( 5.013 0.466 -1.921) 5.389 5.253 ( 1.081 -1.704 0.533) 2.087 5.394 ( 0.085 -3.496 -2.035) 4.046 5.443 ( 0.422 -5.421 -0.216) 5.442 5.507 ( -0.663 -1.366 -3.824) 4.114 5.566 ( 0.437 -0.325 4.289) 4.323 5.607 ( 0.280 -2.056 3.293) 3.892 5.665 ( -0.733 -4.155 -2.021) 4.678 5.792 ( -5.224 1.815 0.627) 5.566 5.847 ( -6.994 0.454 -0.381) 7.019 5.884 ( 0.465 -1.153 0.526) 1.350 5.899 ( 0.587 -0.344 -0.952) 1.170 5.944 ( -0.440 -1.582 -0.920) 1.882 6.008 ( -1.004 -3.012 1.180) 3.387 6.214 ( -2.149 -0.022 -0.988) 2.365 6.246 ( -1.799 -1.128 0.694) 2.234 6.261 ( -0.252 -0.447 -2.182) 2.241 6.279 ( -0.454 -1.099 -1.079) 1.606 6.304 ( 0.185 1.347 1.766) 2.229 6.331 ( 0.450 -0.796 1.087) 1.420 6.400 ( 0.902 -0.652 -0.794) 1.368 6.450 ( 0.838 -1.803 0.950) 2.204 6.515 ( 1.859 1.736 -0.055) 2.544 6.549 ( 1.283 1.314 0.087) 1.839 6.618 ( 2.277 -0.625 -0.227) 2.372 6.635 ( 4.683 -1.791 0.083) 5.014 6.694 ( 2.663 0.956 -0.138) 2.832 6.734 ( 3.927 0.050 0.120) 3.929 6.821 ( -0.239 0.639 -0.197) 0.710 6.848 ( 0.017 1.044 0.058) 1.046 6.855 ( -0.298 -0.513 0.595) 0.840 6.881 ( -0.246 -0.259 0.495) 0.610 6.913 ( -0.456 0.638 0.012) 0.784 6.922 ( 0.288 0.594 -0.427) 0.787 7.064 ( -1.927 0.504 -0.304) 2.015 7.105 ( -0.556 -0.294 0.008) 0.629 7.130 ( -1.345 0.208 0.007) 1.361 7.150 ( -1.071 0.417 -0.122) 1.156 7.170 ( -0.717 0.059 -0.193) 0.744 7.194 ( -0.310 -1.022 -0.311) 1.112 7.230 ( -1.598 0.168 0.844) 1.814 7.309 ( 0.277 2.539 0.054) 2.554 7.342 ( 0.294 0.171 0.569) 0.663 7.358 ( -0.471 -1.153 -1.292) 1.794 7.386 ( 0.347 0.934 0.068) 0.999 7.447 ( 1.039 -0.024 -0.429) 1.124 7.451 ( 0.467 -0.069 0.341) 0.582 7.459 ( 1.367 -0.474 0.245) 1.468 7.585 ( -0.625 -0.864 -0.234) 1.092 7.606 ( -0.066 -1.657 0.304) 1.686 7.669 ( 1.170 0.419 -0.114) 1.248 7.700 ( 1.446 0.009 0.009) 1.446 7.766 ( 0.432 0.342 0.072) 0.555 7.778 ( -0.229 -0.094 0.007) 0.248 7.845 ( -0.213 2.518 -0.285) 2.543 7.854 ( -0.267 3.398 0.535) 3.450 7.880 ( 1.046 0.120 -0.192) 1.070 7.902 ( 0.342 -0.075 -0.256) 0.434 7.993 ( -1.005 -1.824 0.146) 2.087 8.002 ( -1.651 -2.218 0.008) 2.765 8.048 ( -0.385 0.091 0.335) 0.518 8.056 ( -1.060 0.735 0.349) 1.336 8.064 ( -1.105 0.175 -0.274) 1.152 8.077 ( -1.889 -0.465 0.295) 1.968 8.126 ( -1.364 1.342 -0.250) 1.930 8.145 ( 0.161 1.727 -0.361) 1.772 8.175 ( -1.565 0.499 -1.504) 2.227 8.233 ( -1.148 -1.165 1.264) 2.067 8.416 ( -2.821 -0.221 0.006) 2.829 8.445 ( -2.216 -0.450 -0.018) 2.261 8.459 ( -2.580 0.647 -0.009) 2.660 8.468 ( -2.327 0.180 0.038) 2.334 10.246 ( -1.862 0.717 0.365) 2.028 10.278 ( -2.582 -0.331 -0.572) 2.665 10.405 ( -0.521 0.272 0.103) 0.597 10.410 ( -0.572 0.550 0.744) 1.088 10.435 ( -0.660 -0.692 -0.509) 1.083 10.459 ( -1.489 -0.993 -0.045) 1.791 12.297 ( -0.432 -0.358 0.262) 0.620 12.321 ( -0.033 -0.904 -0.303) 0.954 12.377 ( -1.365 0.572 1.556) 2.148 12.381 ( 1.199 1.509 -1.403) 2.384 12.452 ( 0.573 0.197 -0.913) 1.095 12.466 ( -1.223 -1.083 0.764) 1.804 14.605 ( 0.657 0.061 0.013) 0.660 14.608 ( 0.712 -0.015 -0.020) 0.712 14.950 ( -0.971 0.836 0.201) 1.297 14.977 ( -0.581 0.779 -0.420) 1.059 14.998 ( -0.660 -0.971 0.294) 1.210 15.021 ( -0.432 -0.839 -0.097) 0.949 15.630 ( 0.926 1.139 0.519) 1.557 15.648 ( 0.361 1.512 -0.490) 1.630 15.708 ( 0.878 -1.758 2.324) 3.044 15.722 ( -1.448 -1.248 -1.974) 2.748 15.923 ( 1.833 0.295 1.210) 2.216 15.926 ( 1.421 0.179 -1.091) 1.801 16.058 ( 1.936 1.517 1.358) 2.810 16.093 ( 0.551 0.617 -2.142) 2.297 16.176 ( 2.075 0.929 -0.075) 2.275 16.188 ( 1.794 2.297 0.233) 2.924 16.222 ( 3.952 1.128 0.161) 4.113 16.251 ( 1.880 -1.069 0.578) 2.238 16.319 ( 3.178 0.691 -0.526) 3.295 16.350 ( 3.510 -1.382 0.488) 3.803 16.393 ( 0.190 -1.791 -0.173) 1.809 16.431 ( 0.572 -2.441 -0.277) 2.523 16.506 ( -0.234 2.234 0.676) 2.346 16.574 ( -2.716 3.919 0.261) 4.775 16.670 ( -2.484 -2.942 -0.062) 3.851 16.717 ( -3.954 -1.496 -1.190) 4.392 16.818 ( 0.385 1.173 0.430) 1.307 16.939 ( -1.978 -2.046 0.327) 2.864 17.202 ( 7.134 0.341 0.795) 7.186 17.233 ( 6.559 -0.897 -1.043) 6.702 ======================= Grid point 12 (9/39) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.656 -0.888 -0.475) 1.938 0.603 ( 0.322 -0.397 1.132) 1.242 0.676 ( -0.790 -0.204 -2.049) 2.206 0.710 ( 1.125 -1.368 1.215) 2.148 0.735 ( -0.687 -2.387 -0.650) 2.568 0.791 ( -0.764 -3.542 0.056) 3.624 0.821 ( 4.168 1.477 -0.595) 4.461 0.850 ( -0.382 0.989 0.053) 1.061 0.881 ( 0.373 -0.719 -0.822) 1.154 0.887 ( 0.419 -0.266 0.074) 0.502 0.908 ( 2.088 -0.130 -1.816) 2.770 0.945 ( -0.296 -1.405 1.272) 1.918 0.961 ( 1.447 -1.718 -0.040) 2.247 0.984 ( 1.920 -1.397 0.433) 2.414 0.993 ( 1.535 -0.198 0.283) 1.573 1.028 ( 0.912 -1.958 0.130) 2.164 1.040 ( 0.481 -1.369 -0.516) 1.540 1.079 ( 1.889 -3.584 0.195) 4.056 1.111 ( 1.978 -1.201 -0.125) 2.317 1.142 ( 0.577 1.121 -0.273) 1.290 1.159 ( -0.454 -1.489 0.262) 1.579 1.185 ( 2.092 -0.075 0.421) 2.135 1.195 ( 2.425 1.123 -0.641) 2.749 1.214 ( 2.370 -1.048 0.840) 2.724 1.220 ( 1.048 0.491 -0.362) 1.213 1.268 ( -0.063 0.675 -0.293) 0.739 1.270 ( 3.196 0.115 -0.122) 3.200 1.282 ( 1.731 1.144 0.028) 2.075 1.335 ( 0.837 0.962 1.237) 1.777 1.346 ( -0.194 2.418 -0.771) 2.545 1.353 ( 1.529 0.575 -0.976) 1.903 1.407 ( -0.400 0.802 0.882) 1.257 1.429 ( -0.826 1.568 0.003) 1.773 1.459 ( 2.264 0.021 0.058) 2.265 1.485 ( -0.320 -0.477 -1.213) 1.342 1.508 ( 2.634 -1.328 -0.308) 2.966 1.534 ( 2.416 -0.599 1.225) 2.775 1.548 ( -0.330 -1.020 0.758) 1.313 1.554 ( 1.091 -0.533 -0.751) 1.428 1.590 ( -0.006 -2.173 -0.068) 2.174 1.632 ( 0.421 0.602 -0.501) 0.889 1.642 ( 1.384 0.125 0.183) 1.401 1.658 ( 0.368 0.729 0.936) 1.243 1.689 ( -0.087 -0.590 0.203) 0.630 1.727 ( -0.895 -1.802 0.120) 2.015 1.735 ( 1.395 -1.531 2.525) 3.266 1.758 ( -0.583 1.411 -1.813) 2.370 1.798 ( 2.490 0.984 -1.238) 2.950 1.817 ( -0.709 0.691 0.762) 1.250 1.837 ( 0.915 0.175 1.369) 1.656 1.879 ( 0.149 0.611 -0.626) 0.887 1.896 ( -1.328 1.437 0.201) 1.967 1.949 ( -1.884 -0.279 0.250) 1.921 1.966 ( -0.536 2.514 -2.827) 3.821 1.996 ( 0.162 -1.652 1.994) 2.595 2.061 ( -1.880 -2.304 0.179) 2.979 2.151 ( -0.013 2.225 1.881) 2.914 2.164 ( -1.150 0.255 0.759) 1.401 2.186 ( 1.532 1.048 -2.645) 3.231 2.199 ( -1.582 1.924 0.173) 2.497 2.233 ( -0.708 2.353 -0.285) 2.474 2.262 ( 2.242 0.040 1.226) 2.556 2.297 ( -0.909 -0.737 -2.108) 2.411 2.310 ( -1.612 1.797 -0.281) 2.431 2.368 ( -0.033 3.068 -0.033) 3.068 2.388 ( 0.220 -0.031 0.124) 0.254 2.486 ( 4.519 -2.735 0.261) 5.289 2.541 ( 4.575 -2.531 -0.378) 5.242 2.552 ( 4.450 -0.787 1.048) 4.639 2.611 ( 3.610 1.066 0.498) 3.797 2.672 ( -0.955 -6.317 -0.794) 6.438 2.706 ( -0.733 -2.823 0.244) 2.927 3.305 ( 0.600 -1.466 0.417) 1.638 3.320 ( 2.290 -1.580 -0.497) 2.826 3.385 ( 0.586 -0.072 -0.721) 0.932 3.428 ( 0.060 0.389 -1.251) 1.311 3.447 ( 1.943 -0.484 1.468) 2.483 3.515 ( -0.817 -1.918 1.298) 2.456 3.672 ( -0.656 0.969 -0.051) 1.171 3.739 ( 1.334 1.145 1.833) 2.540 3.777 ( 0.964 -0.119 -3.128) 3.275 3.818 ( 0.548 1.792 1.117) 2.181 3.975 ( 2.973 0.809 -1.051) 3.255 4.033 ( 0.538 0.701 0.230) 0.913 4.051 ( 3.648 0.219 1.526) 3.961 4.088 ( 1.984 1.927 -0.005) 2.766 4.124 ( 0.778 3.319 -1.252) 3.632 4.153 ( 2.231 0.728 1.389) 2.727 4.278 ( -0.466 -1.706 -1.687) 2.444 4.297 ( -1.103 -0.807 -2.227) 2.613 4.394 ( 0.680 2.877 -0.141) 2.960 4.443 ( -0.806 2.811 -0.118) 2.927 4.496 ( -2.048 1.369 1.020) 2.666 4.545 ( -3.090 -0.066 2.383) 3.903 4.572 ( 1.334 -0.118 -2.198) 2.574 4.595 ( 4.152 1.284 0.100) 4.347 4.715 ( 3.539 0.249 -0.734) 3.623 4.750 ( 2.108 -0.230 2.910) 3.601 4.968 ( 0.923 6.782 -0.338) 6.853 4.985 ( 2.185 7.354 0.591) 7.695 5.151 ( 0.186 -0.230 -0.905) 0.952 5.181 ( 2.010 1.494 0.134) 2.507 5.237 ( 2.190 -0.987 0.756) 2.518 5.288 ( 1.589 -1.440 2.540) 3.324 5.401 ( -0.684 -1.773 -4.663) 5.036 5.443 ( 0.161 -1.540 -1.916) 2.463 5.499 ( 1.027 -3.704 0.190) 3.848 5.561 ( -1.045 -0.923 1.771) 2.254 5.599 ( -4.171 -2.636 0.526) 4.962 5.640 ( 1.762 -3.308 0.766) 3.825 5.729 ( -1.131 0.723 -0.468) 1.422 5.746 ( -2.448 -0.511 1.054) 2.713 5.894 ( -0.058 -0.277 -0.814) 0.862 5.920 ( 0.973 -0.584 0.361) 1.191 5.927 ( -1.106 -0.875 -0.598) 1.532 5.976 ( -2.412 -2.833 0.541) 3.760 6.167 ( -2.297 0.516 -0.936) 2.534 6.214 ( -1.231 -1.845 0.760) 2.344 6.259 ( -0.097 0.319 -0.876) 0.938 6.274 ( 0.086 -0.384 -0.855) 0.941 6.311 ( 0.325 1.263 1.168) 1.751 6.343 ( 0.503 -0.378 0.373) 0.731 6.419 ( 1.072 -1.342 -0.659) 1.840 6.457 ( -0.229 -2.322 0.877) 2.492 6.551 ( 1.601 2.408 -0.071) 2.893 6.573 ( 0.985 1.081 0.031) 1.463 6.646 ( 0.646 0.586 -0.028) 0.873 6.700 ( 2.263 -1.565 0.327) 2.771 6.740 ( 1.592 -0.455 -0.903) 1.886 6.789 ( 1.443 -1.970 0.483) 2.489 6.835 ( 1.410 0.471 0.292) 1.515 6.850 ( 0.422 0.007 -0.245) 0.488 6.869 ( 1.363 -0.127 -0.525) 1.466 6.881 ( 0.233 -0.808 1.219) 1.481 6.910 ( 0.355 0.852 -0.206) 0.946 6.931 ( 0.253 0.618 -0.216) 0.702 7.037 ( -0.358 2.511 -0.286) 2.553 7.089 ( -0.908 1.033 -0.089) 1.378 7.106 ( -1.563 2.514 0.371) 2.984 7.123 ( -1.065 1.560 -0.387) 1.928 7.157 ( -0.716 -1.316 -0.300) 1.528 7.187 ( -0.427 -0.964 0.357) 1.113 7.228 ( 1.157 -3.062 0.324) 3.290 7.317 ( -0.144 1.028 0.309) 1.083 7.338 ( -0.963 -3.238 -1.125) 3.561 7.348 ( 0.050 0.209 0.385) 0.441 7.398 ( 1.052 0.940 -0.083) 1.413 7.445 ( -0.681 0.094 0.008) 0.687 7.468 ( 0.737 -0.672 0.609) 1.168 7.480 ( 0.860 -0.475 -0.457) 1.084 7.577 ( -0.224 0.384 -0.422) 0.613 7.605 ( -0.060 -0.651 0.480) 0.812 7.698 ( 1.540 0.016 -0.022) 1.540 7.724 ( 0.952 -0.746 0.106) 1.214 7.768 ( -0.247 0.546 -0.148) 0.618 7.771 ( -0.481 0.702 0.007) 0.851 7.838 ( -0.424 1.985 0.037) 2.030 7.853 ( 0.420 2.675 -0.115) 2.710 7.904 ( 0.298 -0.544 -0.054) 0.623 7.911 ( 1.441 0.779 0.237) 1.655 7.961 ( -1.836 -1.092 -0.388) 2.171 7.975 ( -1.223 -1.155 0.281) 1.706 8.017 ( -1.709 0.240 -0.629) 1.837 8.026 ( -1.390 -1.097 0.127) 1.775 8.054 ( -0.435 0.387 1.259) 1.387 8.068 ( -0.136 -0.125 0.313) 0.363 8.100 ( -0.996 0.942 -0.666) 1.524 8.132 ( -1.560 1.780 0.039) 2.368 8.152 ( -0.430 -0.110 -1.376) 1.445 8.206 ( -1.443 -0.785 0.936) 1.891 8.372 ( -1.453 0.418 0.027) 1.512 8.399 ( -2.385 0.526 0.030) 2.443 8.416 ( -1.501 0.128 -0.109) 1.511 8.427 ( -1.624 0.014 0.065) 1.626 10.218 ( -0.965 0.200 0.426) 1.073 10.231 ( -1.953 -0.212 -0.447) 2.015 10.396 ( -0.264 0.374 -0.036) 0.459 10.404 ( -0.104 0.327 0.091) 0.355 10.421 ( -0.732 -0.527 0.067) 0.904 10.427 ( -1.617 -0.499 -0.067) 1.694 12.289 ( -0.394 -0.225 0.367) 0.584 12.322 ( 0.060 0.447 -1.090) 1.179 12.358 ( -0.600 -1.498 1.490) 2.196 12.406 ( 1.399 0.881 -1.539) 2.259 12.442 ( -0.974 -0.881 1.086) 1.704 12.466 ( 0.562 0.617 -0.304) 0.888 14.614 ( 0.262 0.052 0.009) 0.267 14.618 ( 0.283 -0.066 -0.013) 0.291 14.934 ( -0.614 0.883 0.151) 1.086 14.968 ( -0.320 0.807 -0.385) 0.949 14.986 ( -0.532 -1.083 0.297) 1.243 15.012 ( -0.359 -0.841 -0.072) 0.917 15.643 ( 0.302 1.127 -0.544) 1.287 15.658 ( 0.638 1.302 0.442) 1.516 15.696 ( -0.628 -0.420 -1.317) 1.519 15.723 ( 0.187 -0.667 1.432) 1.590 15.948 ( 0.876 0.252 -0.651) 1.121 15.957 ( 1.341 0.024 0.914) 1.623 16.091 ( 1.022 1.703 0.617) 2.080 16.097 ( 0.306 1.595 -0.926) 1.870 16.201 ( 0.559 2.094 -0.200) 2.176 16.222 ( 1.624 1.402 0.038) 2.146 16.269 ( -0.069 -0.363 1.415) 1.462 16.284 ( 2.413 -0.018 -0.860) 2.562 16.362 ( 1.289 -1.133 -0.561) 1.806 16.392 ( -0.574 -0.385 0.285) 0.748 16.411 ( 2.155 -0.286 0.559) 2.244 16.441 ( 1.205 -0.806 -1.264) 1.923 16.529 ( 1.734 0.420 0.798) 1.954 16.547 ( -0.042 0.821 0.119) 0.831 16.616 ( -2.617 -0.868 1.315) 3.055 16.647 ( -2.877 -1.229 -1.652) 3.538 16.844 ( 1.675 -1.380 -0.090) 2.172 16.907 ( -1.315 -2.470 0.170) 2.803 17.319 ( 4.378 0.417 0.447) 4.421 17.336 ( 3.849 -0.242 -0.464) 3.884 ======================= Grid point 13 (10/39) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 -0.930 -0.000) 0.930 0.608 ( 0.000 -1.166 0.000) 1.166 0.665 ( 0.000 0.832 -0.000) 0.832 0.723 ( 0.000 -1.151 -0.000) 1.151 0.726 ( -0.000 -2.366 0.000) 2.366 0.782 ( 0.000 -2.129 0.000) 2.129 0.853 ( 0.000 1.182 0.000) 1.182 0.858 ( -0.000 -0.334 -0.000) 0.334 0.869 ( 0.000 0.150 0.000) 0.150 0.898 ( 0.000 -0.311 -0.000) 0.311 0.927 ( 0.000 -0.366 -0.000) 0.366 0.938 ( 0.000 -1.994 0.000) 1.994 0.977 ( 0.000 -1.214 -0.000) 1.214 0.989 ( 0.000 2.309 0.000) 2.309 1.016 ( 0.000 -2.705 0.000) 2.705 1.024 ( 0.000 -2.652 -0.000) 2.652 1.061 ( 0.000 -1.133 -0.000) 1.133 1.108 ( 0.000 -2.740 0.000) 2.740 1.137 ( 0.000 -0.347 0.000) 0.347 1.140 ( 0.000 -3.739 -0.000) 3.739 1.153 ( 0.000 -0.741 -0.000) 0.741 1.209 ( -0.000 -1.109 -0.000) 1.109 1.212 ( 0.000 -0.934 0.000) 0.934 1.220 ( 0.000 -1.071 0.000) 1.071 1.251 ( 0.000 0.412 0.000) 0.412 1.288 ( 0.000 -0.339 -0.000) 0.339 1.289 ( -0.000 3.065 0.000) 3.065 1.337 ( 0.000 1.650 -0.000) 1.650 1.347 ( 0.000 1.745 -0.000) 1.745 1.349 ( -0.000 2.607 0.000) 2.607 1.364 ( 0.000 -0.004 0.000) 0.004 1.367 ( -0.000 -0.429 -0.000) 0.429 1.445 ( 0.000 0.490 0.000) 0.490 1.452 ( 0.000 -0.191 -0.000) 0.191 1.504 ( 0.000 -1.337 0.000) 1.337 1.524 ( 0.000 -0.930 0.000) 0.930 1.547 ( 0.000 0.710 0.000) 0.710 1.570 ( 0.000 -0.788 -0.000) 0.788 1.573 ( 0.000 -1.407 0.000) 1.407 1.576 ( -0.000 -2.425 0.000) 2.425 1.627 ( 0.000 -0.244 -0.000) 0.244 1.645 ( 0.000 -0.505 0.000) 0.505 1.660 ( -0.000 0.571 -0.000) 0.571 1.693 ( 0.000 -0.909 -0.000) 0.909 1.712 ( -0.000 1.070 -0.000) 1.070 1.750 ( 0.000 0.361 0.000) 0.361 1.767 ( 0.000 2.276 0.000) 2.276 1.793 ( 0.000 0.999 -0.000) 0.999 1.832 ( -0.000 2.573 0.000) 2.573 1.833 ( 0.000 -0.531 -0.000) 0.531 1.882 ( -0.000 0.771 0.000) 0.771 1.884 ( 0.000 -0.285 -0.000) 0.285 1.927 ( 0.000 -1.296 -0.000) 1.296 1.968 ( 0.000 1.629 0.000) 1.629 1.989 ( -0.000 -3.035 0.000) 3.035 2.046 ( 0.000 -1.015 -0.000) 1.015 2.143 ( -0.000 1.462 -0.000) 1.462 2.145 ( 0.000 2.132 0.000) 2.132 2.158 ( 0.000 2.982 -0.000) 2.982 2.205 ( 0.000 0.213 0.000) 0.213 2.243 ( 0.000 2.658 -0.000) 2.658 2.273 ( 0.000 2.437 -0.000) 2.437 2.274 ( -0.000 -1.397 0.000) 1.397 2.331 ( -0.000 -0.786 -0.000) 0.786 2.332 ( 0.000 3.748 0.000) 3.748 2.406 ( 0.000 -0.534 -0.000) 0.534 2.529 ( 0.000 -6.014 -0.000) 6.014 2.603 ( 0.000 -4.456 -0.000) 4.456 2.629 ( 0.000 -5.185 0.000) 5.185 2.639 ( -0.000 -2.039 -0.000) 2.039 2.673 ( 0.000 1.137 0.000) 1.137 2.687 ( -0.000 -0.172 -0.000) 0.172 3.314 ( 0.000 -0.939 0.000) 0.939 3.343 ( 0.000 -2.245 -0.000) 2.245 3.387 ( 0.000 -0.271 0.000) 0.271 3.431 ( 0.000 -0.658 0.000) 0.658 3.474 ( 0.000 1.007 -0.000) 1.007 3.504 ( 0.000 -0.312 0.000) 0.312 3.664 ( 0.000 1.846 -0.000) 1.846 3.755 ( 0.000 4.486 0.000) 4.486 3.778 ( 0.000 -1.608 -0.000) 1.608 3.839 ( 0.000 -0.246 0.000) 0.246 4.017 ( 0.000 0.869 0.000) 0.869 4.026 ( 0.000 1.055 0.000) 1.055 4.086 ( 0.000 0.185 -0.000) 0.185 4.097 ( 0.000 4.761 -0.000) 4.761 4.125 ( 0.000 2.630 0.000) 2.630 4.201 ( 0.000 -0.880 0.000) 0.880 4.254 ( 0.000 -3.986 -0.000) 3.986 4.289 ( 0.000 -0.448 0.000) 0.448 4.411 ( 0.000 2.949 -0.000) 2.949 4.416 ( 0.000 7.368 0.000) 7.368 4.480 ( 0.000 -0.960 -0.000) 0.960 4.508 ( 0.000 -0.150 0.000) 0.150 4.586 ( 0.000 -0.738 0.000) 0.738 4.647 ( 0.000 2.696 0.000) 2.696 4.762 ( -0.000 0.644 -0.000) 0.644 4.776 ( 0.000 -1.123 -0.000) 1.123 4.978 ( 0.000 6.090 -0.000) 6.090 5.005 ( 0.000 6.530 -0.000) 6.530 5.133 ( 0.000 -0.819 0.000) 0.819 5.228 ( 0.000 -2.189 -0.000) 2.189 5.246 ( -0.000 -0.161 0.000) 0.161 5.322 ( 0.000 0.629 0.000) 0.629 5.354 ( 0.000 -1.318 -0.000) 1.318 5.456 ( 0.000 1.228 0.000) 1.228 5.518 ( 0.000 -5.143 -0.000) 5.143 5.546 ( -0.000 -4.465 0.000) 4.465 5.552 ( 0.000 2.137 -0.000) 2.137 5.664 ( 0.000 -2.573 -0.000) 2.573 5.723 ( 0.000 -0.518 0.000) 0.518 5.727 ( -0.000 -1.418 0.000) 1.418 5.895 ( -0.000 -0.591 0.000) 0.591 5.905 ( 0.000 -0.979 0.000) 0.979 5.931 ( 0.000 -0.559 0.000) 0.559 5.945 ( -0.000 -1.707 0.000) 1.707 6.140 ( 0.000 0.978 0.000) 0.978 6.202 ( 0.000 -2.172 0.000) 2.172 6.258 ( 0.000 0.022 -0.000) 0.022 6.275 ( 0.000 0.039 0.000) 0.039 6.316 ( 0.000 1.152 -0.000) 1.152 6.348 ( 0.000 0.001 0.000) 0.001 6.433 ( 0.000 -1.551 0.000) 1.551 6.451 ( 0.000 -2.441 -0.000) 2.441 6.569 ( 0.000 2.034 -0.000) 2.034 6.582 ( 0.000 1.600 -0.000) 1.600 6.650 ( 0.000 1.267 0.000) 1.267 6.728 ( 0.000 -1.944 -0.000) 1.944 6.750 ( 0.000 0.081 0.000) 0.081 6.796 ( 0.000 -1.792 0.000) 1.792 6.845 ( 0.000 0.373 -0.000) 0.373 6.875 ( -0.000 -0.112 -0.000) 0.112 6.883 ( 0.638 -0.869 -1.215) 1.625 6.883 ( -0.638 -0.869 1.215) 1.624 6.923 ( 0.000 -0.428 0.000) 0.428 6.928 ( -0.000 0.657 -0.000) 0.657 7.040 ( 0.000 4.681 0.000) 4.681 7.080 ( 0.000 0.860 -0.000) 0.860 7.081 ( -0.000 2.483 0.000) 2.483 7.114 ( 0.000 1.509 0.000) 1.509 7.147 ( 0.000 -1.688 0.000) 1.688 7.183 ( 0.000 -0.977 -0.000) 0.977 7.251 ( 0.000 -3.201 -0.000) 3.201 7.301 ( 0.000 -2.651 0.000) 2.651 7.331 ( 0.000 -1.974 -0.000) 1.974 7.348 ( 0.000 -0.395 -0.000) 0.395 7.417 ( 0.000 1.751 0.000) 1.751 7.431 ( 0.000 0.052 0.000) 0.052 7.476 ( 0.000 -0.537 0.000) 0.537 7.489 ( 0.000 -0.693 -0.000) 0.693 7.575 ( 0.000 0.704 0.000) 0.704 7.605 ( 0.000 -0.401 0.000) 0.401 7.717 ( 0.000 1.059 -0.000) 1.059 7.733 ( 0.000 -1.104 -0.000) 1.104 7.764 ( 0.000 0.081 -0.000) 0.081 7.765 ( 0.000 0.808 0.000) 0.808 7.833 ( 0.000 1.849 -0.000) 1.849 7.862 ( 0.000 2.172 0.000) 2.172 7.905 ( 0.000 -0.978 -0.000) 0.978 7.935 ( 0.000 -0.727 0.000) 0.727 7.938 ( -0.000 0.910 -0.000) 0.910 7.956 ( 0.000 -0.254 -0.000) 0.254 7.998 ( 0.000 0.414 -0.000) 0.414 8.011 ( 0.000 -1.434 0.000) 1.434 8.049 ( 0.000 0.084 0.000) 0.084 8.066 ( 0.000 -0.405 0.000) 0.405 8.091 ( 0.000 0.720 -0.000) 0.720 8.111 ( 0.000 1.182 -0.000) 1.182 8.147 ( 0.000 0.350 -0.000) 0.350 8.191 ( 0.000 -0.503 -0.000) 0.503 8.364 ( 0.000 0.995 -0.000) 0.995 8.367 ( 0.000 0.650 0.000) 0.650 8.402 ( 0.000 0.060 -0.000) 0.060 8.410 ( 0.000 -0.139 -0.000) 0.139 10.210 ( 0.000 -0.162 -0.000) 0.162 10.210 ( 0.000 -0.163 0.000) 0.163 10.398 ( 0.000 0.131 -0.000) 0.131 10.404 ( 0.000 -0.005 -0.000) 0.005 10.406 ( -0.000 -0.011 -0.000) 0.011 10.411 ( 0.000 -0.087 -0.000) 0.087 12.285 ( 0.000 -0.075 -0.000) 0.075 12.321 ( 0.000 1.732 -0.000) 1.732 12.354 ( 0.000 -3.036 0.000) 3.036 12.426 ( 0.000 2.000 -0.000) 2.000 12.427 ( -0.000 -2.206 0.000) 2.206 12.472 ( 0.000 0.753 0.000) 0.753 14.617 ( 0.000 0.040 -0.000) 0.040 14.621 ( 0.000 -0.089 -0.000) 0.089 14.928 ( 0.000 0.895 -0.000) 0.895 14.964 ( 0.000 0.819 0.000) 0.819 14.981 ( 0.000 -1.110 -0.000) 1.110 15.009 ( 0.000 -0.816 -0.000) 0.816 15.645 ( 0.000 1.120 -0.000) 1.120 15.665 ( 0.000 0.913 0.000) 0.913 15.691 ( 0.000 0.092 0.000) 0.092 15.725 ( 0.000 -0.262 0.000) 0.262 15.956 ( 0.000 0.275 0.000) 0.275 15.971 ( 0.000 -0.169 0.000) 0.169 16.096 ( 0.000 1.861 -0.000) 1.861 16.104 ( 0.000 2.032 -0.000) 2.032 16.206 ( 0.000 2.196 0.000) 2.196 16.240 ( 0.000 1.486 0.000) 1.486 16.266 ( 0.000 -0.284 0.000) 0.284 16.310 ( 0.000 -0.182 0.000) 0.182 16.375 ( 0.000 -2.349 0.000) 2.349 16.376 ( -0.000 -1.460 -0.000) 1.460 16.436 ( 0.000 0.861 -0.000) 0.861 16.457 ( 0.000 0.447 -0.000) 0.447 16.552 ( 0.000 -0.739 -0.000) 0.739 16.557 ( 0.000 -0.927 0.000) 0.927 16.583 ( 0.000 0.364 -0.000) 0.364 16.613 ( 0.000 -0.169 0.000) 0.169 16.866 ( 0.000 -1.703 -0.000) 1.703 16.890 ( 0.000 -2.852 0.000) 2.852 17.363 ( 0.000 0.395 -0.000) 0.395 17.374 ( 0.000 -0.042 0.000) 0.042 ======================= Grid point 18 (11/39) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 -6.035 0.000) 6.035 0.559 ( 0.000 6.035 0.000) 6.035 0.617 ( 0.000 -7.252 0.000) 7.252 0.617 ( 0.000 7.252 0.000) 7.252 0.715 ( 0.000 -4.841 0.000) 4.841 0.715 ( 0.000 4.841 0.000) 4.841 0.765 ( 0.000 -2.270 0.000) 2.270 0.765 ( 0.000 2.270 0.000) 2.270 0.849 ( 0.000 -0.161 0.000) 0.161 0.849 ( 0.000 0.161 0.000) 0.161 0.903 ( 0.000 -2.018 0.000) 2.018 0.903 ( 0.000 2.018 0.000) 2.018 0.917 ( 0.000 -1.760 0.000) 1.760 0.917 ( 0.000 1.760 0.000) 1.760 0.958 ( 0.000 -3.460 0.000) 3.460 0.958 ( 0.000 3.460 0.000) 3.460 1.014 ( 0.000 -2.252 0.000) 2.252 1.014 ( 0.000 2.252 0.000) 2.252 1.049 ( 0.000 -2.753 0.000) 2.753 1.049 ( 0.000 2.753 0.000) 2.753 1.111 ( 0.000 -0.351 0.000) 0.351 1.111 ( 0.000 0.351 0.000) 0.351 1.148 ( 0.000 -4.987 0.000) 4.987 1.148 ( 0.000 4.987 0.000) 4.987 1.175 ( 0.000 -0.463 0.000) 0.463 1.175 ( 0.000 0.463 0.000) 0.463 1.179 ( 0.000 -1.217 0.000) 1.217 1.179 ( 0.000 1.217 0.000) 1.217 1.285 ( 0.000 -1.772 0.000) 1.772 1.285 ( 0.000 1.772 0.000) 1.772 1.318 ( 0.000 -0.377 0.000) 0.377 1.318 ( 0.000 0.377 0.000) 0.377 1.351 ( 0.000 -1.157 0.000) 1.157 1.351 ( 0.000 1.157 0.000) 1.157 1.384 ( 0.000 -0.601 0.000) 0.601 1.384 ( 0.000 0.601 0.000) 0.601 1.400 ( 0.000 -2.454 0.000) 2.454 1.400 ( 0.000 2.454 0.000) 2.454 1.506 ( 0.000 -6.506 0.000) 6.506 1.506 ( 0.000 6.506 0.000) 6.506 1.536 ( 0.000 -0.808 0.000) 0.808 1.536 ( 0.000 0.808 0.000) 0.808 1.618 ( 0.000 -0.720 0.000) 0.720 1.618 ( 0.000 0.720 0.000) 0.720 1.700 ( 0.000 -0.979 0.000) 0.979 1.700 ( 0.000 0.979 0.000) 0.979 1.747 ( 0.000 -3.512 0.000) 3.512 1.747 ( 0.000 3.512 0.000) 3.512 1.843 ( 0.000 -2.592 0.000) 2.592 1.843 ( 0.000 2.592 0.000) 2.592 1.871 ( 0.000 -0.678 0.000) 0.678 1.871 ( 0.000 0.678 0.000) 0.678 1.924 ( 0.000 -1.317 0.000) 1.317 1.924 ( 0.000 1.317 0.000) 1.317 2.012 ( 0.000 -2.567 0.000) 2.567 2.012 ( 0.000 2.567 0.000) 2.567 2.032 ( 0.000 -2.930 0.000) 2.930 2.032 ( 0.000 2.930 0.000) 2.930 2.096 ( 0.000 -2.849 0.000) 2.849 2.096 ( 0.000 2.849 0.000) 2.849 2.317 ( 0.000 -0.136 0.000) 0.136 2.317 ( 0.000 0.136 0.000) 0.136 2.422 ( 0.000 -2.217 0.000) 2.217 2.422 ( 0.000 2.217 0.000) 2.217 2.447 ( 0.000 -2.024 0.000) 2.024 2.447 ( 0.000 2.024 0.000) 2.024 2.543 ( 0.000 -1.343 0.000) 1.343 2.543 ( 0.000 1.343 0.000) 1.343 2.597 ( 0.000 -4.618 0.000) 4.618 2.597 ( 0.000 4.618 0.000) 4.618 2.611 ( 0.000 -2.686 0.000) 2.686 2.611 ( 0.000 2.686 0.000) 2.686 3.286 ( 0.000 -0.155 0.000) 0.155 3.286 ( 0.000 0.155 0.000) 0.155 3.375 ( 0.000 -1.995 0.000) 1.995 3.375 ( 0.000 1.995 0.000) 1.995 3.539 ( 0.000 -1.758 0.000) 1.758 3.539 ( 0.000 1.758 0.000) 1.758 3.630 ( 0.000 -1.351 0.000) 1.351 3.630 ( 0.000 1.351 0.000) 1.351 3.751 ( 0.000 -0.662 0.000) 0.662 3.751 ( 0.000 0.662 0.000) 0.662 3.907 ( 0.000 -1.223 0.000) 1.223 3.907 ( 0.000 1.223 0.000) 1.223 3.990 ( 0.000 -0.192 0.000) 0.192 3.990 ( 0.000 0.192 0.000) 0.192 4.090 ( 0.000 -3.433 0.000) 3.433 4.090 ( 0.000 3.433 0.000) 3.433 4.236 ( 0.000 -2.531 0.000) 2.531 4.236 ( 0.000 2.531 0.000) 2.531 4.282 ( 0.000 -0.624 0.000) 0.624 4.282 ( 0.000 0.624 0.000) 0.624 4.592 ( 0.000 -0.422 0.000) 0.422 4.592 ( 0.000 0.422 0.000) 0.422 4.653 ( 0.000 -2.564 0.000) 2.564 4.653 ( 0.000 2.564 0.000) 2.564 4.698 ( 0.000 -0.044 0.000) 0.044 4.698 ( 0.000 0.044 0.000) 0.044 4.753 ( 0.000 -0.632 0.000) 0.632 4.753 ( 0.000 0.632 0.000) 0.632 5.170 ( 0.000 -8.118 0.000) 8.118 5.170 ( 0.000 8.118 0.000) 8.118 5.196 ( 0.000 -12.832 0.000) 12.832 5.196 ( 0.000 12.832 0.000) 12.832 5.269 ( 0.000 -1.235 0.000) 1.235 5.269 ( 0.000 1.235 0.000) 1.235 5.495 ( 0.000 -0.306 0.000) 0.306 5.495 ( 0.000 0.306 0.000) 0.306 5.664 ( 0.000 -1.791 0.000) 1.791 5.664 ( 0.000 1.791 0.000) 1.791 5.779 ( 0.000 -1.348 0.000) 1.348 5.779 ( 0.000 1.348 0.000) 1.348 5.895 ( 0.000 -0.524 0.000) 0.524 5.895 ( 0.000 0.524 0.000) 0.524 6.155 ( 0.000 -1.390 0.000) 1.390 6.155 ( 0.000 1.390 0.000) 1.390 6.246 ( 0.000 -0.093 0.000) 0.093 6.246 ( 0.000 0.093 0.000) 0.093 6.309 ( 0.000 -0.997 0.000) 0.997 6.309 ( 0.000 0.997 0.000) 0.997 6.355 ( 0.000 -1.732 0.000) 1.732 6.355 ( 0.000 1.732 0.000) 1.732 6.362 ( 0.000 -0.083 0.000) 0.083 6.362 ( 0.000 0.083 0.000) 0.083 6.437 ( 0.000 -0.955 0.000) 0.955 6.437 ( 0.000 0.955 0.000) 0.955 6.562 ( 0.000 -0.709 0.000) 0.709 6.562 ( 0.000 0.709 0.000) 0.709 6.613 ( 0.000 -1.087 0.000) 1.087 6.613 ( 0.000 1.087 0.000) 1.087 6.863 ( 0.000 -0.601 0.000) 0.601 6.863 ( 0.000 0.601 0.000) 0.601 6.889 ( 0.000 -0.863 0.000) 0.863 6.889 ( 0.000 0.863 0.000) 0.863 6.923 ( 0.000 -0.332 0.000) 0.332 6.923 ( 0.000 0.332 0.000) 0.332 7.082 ( 0.000 -0.315 0.000) 0.315 7.082 ( 0.000 0.315 0.000) 0.315 7.172 ( 0.000 -0.221 0.000) 0.221 7.172 ( 0.000 0.221 0.000) 0.221 7.190 ( 0.000 -0.297 0.000) 0.297 7.190 ( 0.000 0.297 0.000) 0.297 7.322 ( 0.000 -0.155 0.000) 0.155 7.322 ( 0.000 0.155 0.000) 0.155 7.353 ( 0.000 -0.918 0.000) 0.918 7.353 ( 0.000 0.918 0.000) 0.918 7.408 ( 0.000 -0.452 0.000) 0.452 7.408 ( 0.000 0.452 0.000) 0.452 7.444 ( 0.000 -0.552 0.000) 0.552 7.444 ( 0.000 0.552 0.000) 0.552 7.576 ( 0.000 -0.420 0.000) 0.420 7.576 ( 0.000 0.420 0.000) 0.420 7.674 ( 0.000 -1.298 0.000) 1.298 7.674 ( 0.000 1.298 0.000) 1.298 7.758 ( 0.000 -0.650 0.000) 0.650 7.758 ( 0.000 0.650 0.000) 0.650 7.845 ( 0.000 -1.320 0.000) 1.320 7.845 ( 0.000 1.320 0.000) 1.320 7.956 ( 0.000 -3.140 0.000) 3.140 7.956 ( 0.000 3.140 0.000) 3.140 7.967 ( 0.000 -4.302 0.000) 4.302 7.967 ( 0.000 4.302 0.000) 4.302 8.050 ( 0.000 -1.173 0.000) 1.173 8.050 ( 0.000 1.173 0.000) 1.173 8.119 ( 0.000 -1.171 0.000) 1.171 8.119 ( 0.000 1.171 0.000) 1.171 8.169 ( 0.000 -0.762 0.000) 0.762 8.169 ( 0.000 0.762 0.000) 0.762 8.222 ( 0.000 -0.229 0.000) 0.229 8.222 ( 0.000 0.229 0.000) 0.229 8.488 ( 0.000 -0.047 0.000) 0.047 8.488 ( 0.000 0.047 0.000) 0.047 8.527 ( 0.000 -0.208 0.000) 0.208 8.527 ( 0.000 0.208 0.000) 0.208 10.324 ( 0.000 -0.999 0.000) 0.999 10.324 ( 0.000 0.999 0.000) 0.999 10.419 ( 0.000 -0.509 0.000) 0.509 10.419 ( 0.000 0.509 0.000) 0.509 10.462 ( 0.000 -1.194 0.000) 1.194 10.462 ( 0.000 1.194 0.000) 1.194 12.335 ( 0.000 -0.530 0.000) 0.530 12.335 ( 0.000 0.530 0.000) 0.530 12.387 ( 0.000 -0.786 0.000) 0.786 12.387 ( 0.000 0.786 0.000) 0.786 12.466 ( 0.000 -1.314 0.000) 1.314 12.466 ( 0.000 1.314 0.000) 1.314 14.585 ( 0.000 -0.013 0.000) 0.013 14.585 ( 0.000 0.013 0.000) 0.013 14.995 ( 0.000 -0.972 0.000) 0.972 14.995 ( 0.000 0.972 0.000) 0.972 15.012 ( 0.000 -0.888 0.000) 0.888 15.012 ( 0.000 0.888 0.000) 0.888 15.611 ( 0.000 -0.229 0.000) 0.229 15.611 ( 0.000 0.229 0.000) 0.229 15.701 ( 0.000 -3.770 0.000) 3.770 15.701 ( 0.000 3.770 0.000) 3.770 15.890 ( 0.000 -0.223 0.000) 0.223 15.890 ( 0.000 0.223 0.000) 0.223 16.012 ( 0.000 -0.631 0.000) 0.631 16.012 ( 0.000 0.631 0.000) 0.631 16.133 ( 0.000 -1.302 0.000) 1.302 16.133 ( 0.000 1.302 0.000) 1.302 16.154 ( 0.000 -1.176 0.000) 1.176 16.154 ( 0.000 1.176 0.000) 1.176 16.297 ( 0.000 -3.777 0.000) 3.777 16.297 ( 0.000 3.777 0.000) 3.777 16.324 ( 0.000 -4.094 0.000) 4.094 16.324 ( 0.000 4.094 0.000) 4.094 16.659 ( 0.000 -0.414 0.000) 0.414 16.659 ( 0.000 0.414 0.000) 0.414 16.774 ( 0.000 -3.750 0.000) 3.750 16.774 ( 0.000 3.750 0.000) 3.750 16.933 ( 0.000 -1.627 0.000) 1.627 16.933 ( 0.000 1.627 0.000) 1.627 17.020 ( 0.000 -0.241 0.000) 0.241 17.020 ( 0.000 0.241 0.000) 0.241 ======================= Grid point 20 (12/39) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 3.539 -1.075 2.847) 4.667 0.601 ( 3.539 1.075 2.847) 4.667 0.629 ( 1.069 -0.214 -2.848) 3.049 0.629 ( 1.069 0.214 -2.848) 3.049 0.698 ( -0.611 -5.285 1.111) 5.435 0.698 ( -0.611 5.285 1.111) 5.435 0.750 ( -0.493 -3.217 -1.319) 3.511 0.750 ( -0.493 3.217 -1.319) 3.511 0.839 ( -0.139 -1.977 -0.431) 2.028 0.839 ( -0.139 1.977 -0.431) 2.028 0.885 ( -0.747 -1.224 -2.665) 3.026 0.885 ( -0.747 1.224 -2.665) 3.026 0.920 ( -0.107 -1.696 0.143) 1.706 0.920 ( -0.107 1.696 0.143) 1.706 0.972 ( -1.104 -1.801 1.169) 2.415 0.972 ( -1.104 1.801 1.169) 2.415 1.005 ( 2.454 -3.740 0.187) 4.477 1.005 ( 2.454 3.740 0.187) 4.477 1.066 ( 1.362 -0.751 -0.409) 1.608 1.066 ( 1.362 0.751 -0.409) 1.608 1.142 ( 2.267 -2.047 -0.056) 3.055 1.142 ( 2.267 2.047 -0.056) 3.055 1.166 ( 0.269 -0.472 0.485) 0.728 1.166 ( 0.269 0.472 0.485) 0.728 1.177 ( 0.655 -1.376 -0.610) 1.642 1.177 ( 0.655 1.376 -0.610) 1.642 1.232 ( 2.879 -1.320 1.140) 3.366 1.232 ( 2.879 1.320 1.140) 3.366 1.303 ( 2.380 -1.066 -0.145) 2.612 1.303 ( 2.380 1.066 -0.145) 2.612 1.334 ( 2.466 -1.763 -0.284) 3.045 1.334 ( 2.466 1.763 -0.284) 3.045 1.383 ( 0.498 -0.548 0.067) 0.744 1.383 ( 0.498 0.548 0.067) 0.744 1.442 ( 5.216 -1.703 -0.471) 5.507 1.442 ( 5.216 1.703 -0.471) 5.507 1.459 ( 4.206 -1.669 -0.917) 4.617 1.459 ( 4.206 1.669 -0.917) 4.617 1.505 ( 2.504 -2.548 2.853) 4.572 1.505 ( 2.504 2.548 2.853) 4.572 1.548 ( 0.608 -1.436 -1.653) 2.272 1.548 ( 0.608 1.436 -1.653) 2.272 1.632 ( 1.541 -2.697 1.085) 3.290 1.632 ( 1.541 2.697 1.085) 3.290 1.684 ( -1.352 -0.577 -1.610) 2.180 1.684 ( -1.352 0.577 -1.610) 2.180 1.731 ( -0.997 -3.660 3.318) 5.040 1.731 ( -0.997 3.660 3.318) 5.040 1.828 ( -1.296 -2.117 0.178) 2.489 1.828 ( -1.296 2.117 0.178) 2.489 1.885 ( 1.674 -1.080 -1.126) 2.288 1.885 ( 1.674 1.080 -1.126) 2.288 1.926 ( 0.297 -0.887 0.798) 1.229 1.926 ( 0.297 0.887 0.798) 1.229 2.032 ( 1.932 -2.332 -2.240) 3.767 2.032 ( 1.932 2.332 -2.240) 3.767 2.068 ( 2.917 -2.694 0.656) 4.025 2.068 ( 2.917 2.694 0.656) 4.025 2.108 ( 1.441 -1.705 -0.417) 2.271 2.108 ( 1.441 1.705 -0.417) 2.271 2.293 ( -2.211 -1.167 -0.171) 2.506 2.293 ( -2.211 1.167 -0.171) 2.506 2.413 ( -1.281 -0.488 0.633) 1.510 2.413 ( -1.281 0.488 0.633) 1.510 2.449 ( 0.376 -2.201 0.840) 2.386 2.449 ( 0.376 2.201 0.840) 2.386 2.504 ( -3.140 -2.434 -0.680) 4.031 2.504 ( -3.140 2.434 -0.680) 4.031 2.578 ( -2.361 -1.890 0.450) 3.057 2.578 ( -2.361 1.890 0.450) 3.057 2.608 ( -0.013 -2.416 -0.659) 2.504 2.608 ( -0.013 2.416 -0.659) 2.504 3.280 ( -0.538 -2.531 -0.081) 2.589 3.280 ( -0.538 2.531 -0.081) 2.589 3.346 ( -1.416 -2.462 0.338) 2.860 3.346 ( -1.416 2.462 0.338) 2.860 3.518 ( -1.745 -2.654 -0.248) 3.186 3.518 ( -1.745 2.654 -0.248) 3.186 3.657 ( 1.811 -0.859 -1.330) 2.405 3.657 ( 1.811 0.859 -1.330) 2.405 3.785 ( 3.301 -0.670 2.137) 3.989 3.785 ( 3.301 0.670 2.137) 3.989 3.895 ( -1.407 -1.281 0.173) 1.911 3.895 ( -1.407 1.281 0.173) 1.911 3.969 ( 0.744 -2.624 -1.259) 3.004 3.969 ( 0.744 2.624 -1.259) 3.004 4.111 ( 0.755 -2.499 -0.525) 2.663 4.111 ( 0.755 2.499 -0.525) 2.663 4.240 ( 2.014 -2.336 0.564) 3.136 4.240 ( 2.014 2.336 0.564) 3.136 4.395 ( 7.944 -0.854 -0.107) 7.991 4.395 ( 7.944 0.854 -0.107) 7.991 4.553 ( -4.605 -1.881 0.215) 4.979 4.553 ( -4.605 1.881 0.215) 4.979 4.608 ( -1.629 -0.811 1.177) 2.167 4.608 ( -1.629 0.811 1.177) 2.167 4.652 ( -0.310 -1.661 -0.460) 1.751 4.652 ( -0.310 1.661 -0.460) 1.751 4.918 ( 9.724 -1.634 0.029) 9.860 4.918 ( 9.724 1.634 0.029) 9.860 5.156 ( -1.618 -1.727 -0.635) 2.451 5.156 ( -1.618 1.727 -0.635) 2.451 5.211 ( 1.208 -5.938 -0.143) 6.061 5.211 ( 1.208 5.938 -0.143) 6.061 5.258 ( 0.623 -5.728 -0.785) 5.815 5.258 ( 0.623 5.728 -0.785) 5.815 5.527 ( 1.461 -1.163 3.427) 3.902 5.527 ( 1.461 1.163 3.427) 3.902 5.624 ( -2.289 -3.124 -3.171) 5.005 5.624 ( -2.289 3.124 -3.171) 5.005 5.820 ( 2.660 -1.946 1.612) 3.669 5.820 ( 2.660 1.946 1.612) 3.669 5.906 ( 1.017 -0.497 -0.665) 1.313 5.906 ( 1.017 0.497 -0.665) 1.313 6.052 ( -8.862 -1.483 -0.190) 8.987 6.052 ( -8.862 1.483 -0.190) 8.987 6.245 ( 0.011 -0.859 -0.064) 0.861 6.245 ( 0.011 0.859 -0.064) 0.861 6.276 ( -2.720 -1.528 -0.439) 3.151 6.276 ( -2.720 1.528 -0.439) 3.151 6.328 ( -0.460 -0.936 0.390) 1.113 6.328 ( -0.460 0.936 0.390) 1.113 6.388 ( 1.670 -1.366 -0.197) 2.166 6.388 ( 1.670 1.366 -0.197) 2.166 6.493 ( 3.483 -0.859 -0.019) 3.587 6.493 ( 3.483 0.859 -0.019) 3.587 6.571 ( 0.894 -1.422 0.351) 1.716 6.571 ( 0.894 1.422 0.351) 1.716 6.661 ( 3.880 -0.364 -0.038) 3.897 6.661 ( 3.880 0.364 -0.038) 3.897 6.852 ( -0.868 -0.685 -0.189) 1.122 6.852 ( -0.868 0.685 -0.189) 1.122 6.880 ( -0.796 -0.848 0.262) 1.192 6.880 ( -0.796 0.848 0.262) 1.192 6.924 ( 0.046 -0.256 0.107) 0.281 6.924 ( 0.046 0.256 0.107) 0.281 7.084 ( 0.227 -0.617 -0.289) 0.718 7.084 ( 0.227 0.617 -0.289) 0.718 7.169 ( -0.949 -0.454 -0.529) 1.177 7.169 ( -0.949 0.454 -0.529) 1.178 7.176 ( -0.617 -0.945 0.771) 1.366 7.176 ( -0.617 0.945 0.771) 1.366 7.312 ( -0.921 -1.622 -0.309) 1.890 7.312 ( -0.921 1.622 -0.309) 1.890 7.361 ( 0.204 -1.473 -0.011) 1.487 7.361 ( 0.204 1.473 -0.011) 1.487 7.408 ( 0.379 -1.500 0.193) 1.559 7.408 ( 0.379 1.500 0.193) 1.559 7.447 ( 0.266 -0.567 -0.091) 0.633 7.447 ( 0.266 0.567 -0.091) 0.633 7.571 ( -0.210 -0.182 0.040) 0.281 7.571 ( -0.210 0.182 0.040) 0.281 7.680 ( 0.418 -0.884 -0.060) 0.980 7.680 ( 0.418 0.884 -0.060) 0.980 7.764 ( 0.588 -0.574 0.027) 0.822 7.764 ( 0.588 0.574 0.027) 0.822 7.854 ( 0.831 -0.954 -0.006) 1.265 7.854 ( 0.831 0.954 -0.006) 1.265 7.948 ( -0.565 -2.025 0.260) 2.118 7.948 ( -0.565 2.025 0.260) 2.118 7.959 ( -0.798 -2.793 -0.281) 2.918 7.959 ( -0.798 2.793 -0.281) 2.918 8.055 ( 0.407 -0.370 0.246) 0.603 8.055 ( 0.407 0.370 0.246) 0.603 8.104 ( -1.505 -0.514 -0.355) 1.629 8.104 ( -1.505 0.514 -0.355) 1.629 8.169 ( -0.101 -0.708 -0.243) 0.755 8.169 ( -0.101 0.708 -0.243) 0.755 8.214 ( -0.747 -0.727 0.270) 1.077 8.214 ( -0.747 0.727 0.270) 1.077 8.470 ( -1.783 -0.549 0.008) 1.865 8.470 ( -1.783 0.549 0.008) 1.865 8.510 ( -1.692 -0.073 0.004) 1.693 8.510 ( -1.692 0.073 0.004) 1.693 10.306 ( -1.719 -1.069 -0.102) 2.027 10.306 ( -1.719 1.069 -0.102) 2.027 10.419 ( -0.120 -0.447 0.447) 0.643 10.419 ( -0.120 0.447 0.447) 0.643 10.454 ( -0.749 -1.184 -0.307) 1.434 10.454 ( -0.749 1.184 -0.307) 1.434 12.318 ( -1.176 -0.454 0.270) 1.289 12.318 ( -1.176 0.454 0.270) 1.289 12.394 ( 0.363 -0.993 -0.392) 1.128 12.394 ( 0.363 0.993 -0.392) 1.128 12.459 ( -0.605 -1.171 0.094) 1.321 12.459 ( -0.605 1.171 0.094) 1.321 14.593 ( 0.691 -0.044 -0.005) 0.692 14.593 ( 0.691 0.044 -0.005) 0.692 14.988 ( -0.635 -1.080 0.053) 1.254 14.988 ( -0.635 1.080 0.053) 1.254 15.008 ( -0.382 -0.987 -0.064) 1.060 15.008 ( -0.382 0.987 -0.064) 1.060 15.632 ( 1.693 -1.171 1.657) 2.643 15.632 ( 1.693 1.171 1.657) 2.643 15.695 ( -0.399 -3.073 -1.549) 3.465 15.695 ( -0.399 3.073 -1.549) 3.465 15.900 ( 1.044 -0.230 0.115) 1.075 15.900 ( 1.044 0.230 0.115) 1.075 16.047 ( 2.637 -1.120 -0.210) 2.873 16.047 ( 2.637 1.120 -0.210) 2.873 16.164 ( 3.197 -1.248 0.330) 3.447 16.164 ( 3.197 1.248 0.330) 3.447 16.172 ( 1.758 -1.109 -0.256) 2.094 16.172 ( 1.758 1.109 -0.256) 2.094 16.301 ( 0.826 -2.575 -0.201) 2.711 16.301 ( 0.826 2.575 -0.201) 2.711 16.341 ( 1.362 -2.514 0.220) 2.868 16.341 ( 1.362 2.514 0.220) 2.868 16.628 ( -2.686 -2.940 0.585) 4.026 16.628 ( -2.686 2.940 0.585) 4.026 16.737 ( -3.181 -3.941 -0.587) 5.099 16.737 ( -3.181 3.941 -0.587) 5.099 16.925 ( -2.256 -3.003 0.308) 3.769 16.925 ( -2.256 3.003 0.308) 3.769 17.074 ( 6.177 -0.727 -0.243) 6.224 17.074 ( 6.177 0.727 -0.243) 6.224 ======================= Grid point 22 (13/39) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -1.224 -1.170 -0.139) 1.699 0.613 ( -1.224 1.170 -0.139) 1.699 0.680 ( 1.580 -3.609 -1.915) 4.380 0.680 ( 1.580 3.609 -1.915) 4.380 0.704 ( 0.174 -0.501 2.427) 2.484 0.704 ( 0.174 0.501 2.427) 2.484 0.778 ( 4.424 -3.311 -1.231) 5.661 0.778 ( 4.424 3.311 -1.231) 5.661 0.859 ( 2.162 -1.855 -0.732) 2.942 0.859 ( 2.162 1.855 -0.732) 2.942 0.888 ( 1.545 -2.024 -2.141) 3.327 0.888 ( 1.545 2.024 -2.141) 3.327 0.928 ( 0.655 -2.102 0.974) 2.407 0.928 ( 0.655 2.102 0.974) 2.407 0.953 ( -0.154 -2.629 1.745) 3.159 0.953 ( -0.154 2.629 1.745) 3.159 1.045 ( 0.295 -1.770 -0.879) 1.998 1.045 ( 0.295 1.770 -0.879) 1.998 1.097 ( 1.927 -1.334 -0.880) 2.503 1.097 ( 1.927 1.334 -0.880) 2.503 1.162 ( 0.003 -0.584 1.200) 1.334 1.162 ( 0.003 0.584 1.200) 1.334 1.186 ( 1.922 -0.023 -0.187) 1.932 1.186 ( 1.922 0.023 -0.187) 1.932 1.206 ( 2.193 -0.966 -0.198) 2.404 1.206 ( 2.193 0.966 -0.198) 2.404 1.256 ( 0.424 -0.706 0.310) 0.880 1.256 ( 0.424 0.706 0.310) 0.880 1.349 ( 0.876 -0.722 -0.651) 1.309 1.349 ( 0.876 0.722 -0.651) 1.309 1.381 ( 1.701 -1.133 -0.331) 2.071 1.381 ( 1.701 1.133 -0.331) 2.071 1.410 ( 2.752 -0.565 0.971) 2.973 1.410 ( 2.752 0.565 0.971) 2.973 1.475 ( 0.566 -1.342 -0.340) 1.496 1.475 ( 0.566 1.342 -0.340) 1.496 1.523 ( 0.633 -1.162 -0.013) 1.323 1.523 ( 0.633 1.162 -0.013) 1.323 1.550 ( 2.110 -1.442 0.835) 2.688 1.550 ( 2.110 1.442 0.835) 2.688 1.604 ( 1.797 -0.470 -0.650) 1.968 1.604 ( 1.797 0.470 -0.650) 1.968 1.651 ( 1.420 -1.676 -0.111) 2.199 1.651 ( 1.420 1.676 -0.111) 2.199 1.690 ( 1.386 -1.009 -0.356) 1.752 1.690 ( 1.386 1.009 -0.356) 1.752 1.742 ( 2.292 -2.290 1.039) 3.403 1.742 ( 2.292 2.290 1.039) 3.403 1.819 ( 0.550 -1.681 2.261) 2.870 1.819 ( 0.550 1.681 2.261) 2.870 1.911 ( 0.036 -1.381 0.067) 1.383 1.911 ( 0.036 1.381 0.067) 1.383 1.956 ( 2.767 -0.986 -0.506) 2.980 1.956 ( 2.767 0.986 -0.506) 2.980 2.042 ( -1.847 -1.225 -2.510) 3.349 2.042 ( -1.847 1.225 -2.510) 3.349 2.126 ( 3.555 -1.777 0.346) 3.989 2.126 ( 3.555 1.777 0.346) 3.989 2.162 ( 3.684 -1.553 1.077) 4.141 2.162 ( 3.684 1.553 1.077) 4.141 2.272 ( 0.795 -0.493 -0.577) 1.099 2.272 ( 0.795 0.493 -0.577) 1.099 2.356 ( -4.373 -2.525 0.487) 5.074 2.356 ( -4.373 2.525 0.487) 5.074 2.431 ( -2.593 -2.774 -0.642) 3.851 2.431 ( -2.593 2.774 -0.642) 3.851 2.476 ( 0.244 -3.067 1.207) 3.305 2.476 ( 0.244 3.067 1.207) 3.305 2.533 ( -1.097 -3.744 -0.837) 3.991 2.533 ( -1.097 3.744 -0.837) 3.991 2.611 ( 0.891 -3.241 0.074) 3.362 2.611 ( 0.891 3.241 0.074) 3.362 3.273 ( 0.299 -0.916 0.112) 0.970 3.273 ( 0.299 0.916 0.112) 0.970 3.362 ( 2.648 -2.222 -0.180) 3.461 3.362 ( 2.648 2.222 -0.180) 3.461 3.479 ( -1.748 -2.217 -0.043) 2.824 3.479 ( -1.748 2.217 -0.043) 2.824 3.684 ( 1.147 -0.836 -1.342) 1.953 3.684 ( 1.147 0.836 -1.342) 1.953 3.822 ( -0.517 -1.920 3.427) 3.963 3.822 ( -0.517 1.920 3.427) 3.963 3.933 ( 5.396 -1.829 -1.114) 5.806 3.933 ( 5.396 1.829 -1.114) 5.806 4.008 ( 2.936 -2.900 -0.830) 4.210 4.008 ( 2.936 2.900 -0.830) 4.210 4.136 ( 1.982 -0.725 -0.197) 2.119 4.136 ( 1.982 0.725 -0.197) 2.119 4.285 ( 1.714 -1.191 -1.237) 2.426 4.285 ( 1.714 1.191 -1.237) 2.426 4.445 ( -1.994 -1.873 -0.645) 2.811 4.445 ( -1.994 1.873 -0.645) 2.811 4.545 ( 2.801 -1.958 0.164) 3.421 4.545 ( 2.801 1.958 0.164) 3.421 4.587 ( -1.983 -1.679 3.390) 4.271 4.587 ( -1.983 1.679 3.390) 4.271 4.664 ( 2.919 -1.662 -1.016) 3.509 4.664 ( 2.919 1.662 -1.016) 3.509 5.084 ( 6.254 -4.628 0.573) 7.802 5.084 ( 6.254 4.628 0.573) 7.802 5.127 ( 0.135 -3.655 -0.869) 3.759 5.127 ( 0.135 3.655 -0.869) 3.759 5.224 ( -0.297 -5.516 0.057) 5.525 5.224 ( -0.297 5.516 0.057) 5.525 5.307 ( 3.611 -4.519 0.359) 5.796 5.307 ( 3.611 4.519 0.359) 5.796 5.520 ( -1.346 -2.644 -4.587) 5.463 5.520 ( -1.346 2.644 -4.587) 5.463 5.603 ( -0.666 -1.381 4.336) 4.599 5.603 ( -0.666 1.381 4.336) 4.599 5.837 ( -5.060 -1.871 0.470) 5.415 5.837 ( -5.060 1.871 0.470) 5.415 5.885 ( -0.280 -1.254 -1.659) 2.098 5.885 ( -0.280 1.254 -1.659) 2.098 5.941 ( -0.589 -2.345 1.011) 2.621 5.941 ( -0.589 2.345 1.011) 2.621 6.222 ( -2.230 -0.810 -0.012) 2.372 6.222 ( -2.230 0.810 -0.012) 2.372 6.256 ( 0.592 -0.457 -1.081) 1.315 6.256 ( 0.592 0.457 -1.081) 1.315 6.327 ( 0.185 -0.461 0.488) 0.696 6.327 ( 0.185 0.461 0.488) 0.696 6.410 ( 0.514 -1.604 0.282) 1.708 6.410 ( 0.514 1.604 0.282) 1.708 6.555 ( 2.416 -1.765 -0.149) 2.996 6.555 ( 2.416 1.765 -0.149) 2.996 6.603 ( 2.647 -1.062 0.266) 2.864 6.603 ( 2.647 1.062 0.266) 2.864 6.723 ( 2.154 -1.101 0.047) 2.420 6.723 ( 2.154 1.101 0.047) 2.420 6.840 ( -0.144 -0.946 -0.237) 0.986 6.840 ( -0.144 0.946 -0.237) 0.986 6.867 ( -0.374 -0.767 0.412) 0.948 6.867 ( -0.374 0.767 0.412) 0.948 6.927 ( 0.233 -0.335 -0.031) 0.409 6.927 ( 0.233 0.335 -0.031) 0.409 7.087 ( 0.119 -1.265 -0.339) 1.315 7.087 ( 0.119 1.265 -0.339) 1.315 7.142 ( -1.060 -1.364 -0.406) 1.775 7.142 ( -1.060 1.364 -0.406) 1.775 7.172 ( -0.309 -0.136 0.701) 0.778 7.172 ( -0.309 0.136 0.701) 0.778 7.284 ( -2.101 -3.592 -0.285) 4.171 7.284 ( -2.101 3.592 -0.285) 4.171 7.354 ( -0.599 -1.257 0.074) 1.395 7.354 ( -0.599 1.257 0.074) 1.395 7.422 ( 0.666 -2.075 0.226) 2.191 7.422 ( 0.666 2.075 0.226) 2.191 7.454 ( 0.527 -0.078 -0.331) 0.627 7.454 ( 0.527 0.078 -0.331) 0.627 7.576 ( 0.704 -0.466 0.089) 0.849 7.576 ( 0.704 0.466 0.089) 0.849 7.688 ( 0.518 -1.003 -0.014) 1.129 7.688 ( 0.518 1.003 -0.014) 1.129 7.776 ( 0.522 -0.293 0.021) 0.599 7.776 ( 0.522 0.293 0.021) 0.599 7.871 ( 0.682 -0.458 0.031) 0.823 7.871 ( 0.682 0.458 0.031) 0.823 7.936 ( -1.167 -1.792 -0.237) 2.152 7.936 ( -1.167 1.792 -0.237) 2.152 7.943 ( -0.143 -1.261 0.168) 1.280 7.943 ( -0.143 1.261 0.168) 1.280 8.056 ( -1.504 -0.613 -0.184) 1.635 8.056 ( -1.504 0.613 -0.184) 1.635 8.069 ( -0.904 -0.436 0.652) 1.197 8.069 ( -0.904 0.436 0.652) 1.197 8.156 ( -1.154 -0.992 -1.457) 2.107 8.156 ( -1.154 0.992 -1.457) 2.107 8.198 ( -0.939 -1.855 0.953) 2.287 8.198 ( -0.939 1.855 0.953) 2.287 8.428 ( -2.276 -1.010 0.009) 2.490 8.428 ( -2.276 1.010 0.009) 2.490 8.468 ( -2.425 -0.191 0.011) 2.433 8.468 ( -2.425 0.191 0.011) 2.433 10.265 ( -2.297 -0.880 -0.055) 2.460 10.265 ( -2.297 0.880 -0.055) 2.460 10.415 ( -0.348 -0.525 0.494) 0.800 10.415 ( -0.348 0.525 0.494) 0.800 10.435 ( -1.138 -1.052 -0.407) 1.602 10.435 ( -1.138 1.052 -0.407) 1.602 12.302 ( -0.391 -0.720 0.170) 0.837 12.302 ( -0.391 0.720 0.170) 0.837 12.392 ( -0.546 -0.585 -0.293) 0.852 12.392 ( -0.546 0.585 -0.293) 0.852 12.452 ( 0.049 -0.358 0.128) 0.383 12.452 ( 0.049 0.358 0.128) 0.383 14.607 ( 0.672 -0.093 -0.006) 0.678 14.607 ( 0.672 0.093 -0.006) 0.678 14.973 ( -0.848 -1.257 0.073) 1.518 14.973 ( -0.848 1.257 0.073) 1.518 14.999 ( -0.511 -1.122 -0.087) 1.236 14.999 ( -0.511 1.122 -0.087) 1.236 15.663 ( 0.979 -1.636 1.024) 2.164 15.663 ( 0.979 1.636 1.024) 2.164 15.688 ( 0.144 -1.533 -0.974) 1.821 15.688 ( 0.144 1.533 -0.974) 1.821 15.928 ( 1.593 -0.067 0.139) 1.601 15.928 ( 1.593 0.067 0.139) 1.601 16.090 ( 1.827 -1.036 -0.146) 2.105 16.090 ( 1.827 1.036 -0.146) 2.105 16.204 ( 1.785 -1.599 -0.322) 2.418 16.204 ( 1.785 1.599 -0.322) 2.418 16.241 ( 3.160 -1.647 0.310) 3.577 16.241 ( 3.160 1.647 0.310) 3.577 16.341 ( 3.386 -1.433 -0.230) 3.684 16.341 ( 3.386 1.433 -0.230) 3.684 16.365 ( 0.769 -2.736 0.043) 2.842 16.365 ( 0.769 2.736 0.043) 2.842 16.579 ( -1.991 -3.959 1.392) 4.645 16.579 ( -1.991 3.959 1.392) 4.645 16.666 ( -3.621 -3.207 -1.393) 5.033 16.666 ( -3.621 3.207 -1.393) 5.033 16.875 ( -2.133 -3.478 0.297) 4.091 16.875 ( -2.133 3.478 0.297) 4.091 17.214 ( 7.178 -0.777 -0.073) 7.220 17.214 ( 7.178 0.777 -0.073) 7.220 ======================= Grid point 24 (14/39) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.744 -1.362 0.030) 1.552 0.592 ( -0.744 1.362 0.030) 1.552 0.687 ( -0.024 -0.923 -2.333) 2.509 0.687 ( -0.024 0.923 -2.333) 2.509 0.697 ( -0.295 -2.490 1.484) 2.914 0.697 ( -0.295 2.490 1.484) 2.914 0.864 ( 2.730 -1.874 1.620) 3.686 0.864 ( 2.730 1.874 1.620) 3.686 0.879 ( -0.119 -1.001 -1.393) 1.720 0.879 ( -0.119 1.001 -1.393) 1.720 0.918 ( 1.165 -1.665 -1.470) 2.508 0.918 ( 1.165 1.665 -1.470) 2.508 0.949 ( 0.576 -2.519 0.193) 2.591 0.949 ( 0.576 2.519 0.193) 2.591 0.988 ( 3.457 -1.946 1.880) 4.390 0.988 ( 3.457 1.946 1.880) 4.390 1.035 ( -0.300 -1.073 -1.118) 1.579 1.035 ( -0.300 1.073 -1.118) 1.579 1.115 ( 0.024 -1.723 -0.948) 1.967 1.115 ( 0.024 1.723 -0.948) 1.967 1.174 ( 0.515 -1.329 1.683) 2.205 1.174 ( 0.515 1.329 1.683) 2.205 1.207 ( -0.244 -0.910 -1.179) 1.509 1.207 ( -0.244 0.910 -1.179) 1.509 1.247 ( 2.178 -1.383 0.719) 2.678 1.247 ( 2.178 1.383 0.719) 2.678 1.286 ( 2.855 -1.574 -0.311) 3.275 1.286 ( 2.855 1.574 -0.311) 3.275 1.353 ( 1.123 -1.232 0.004) 1.667 1.353 ( 1.123 1.232 0.004) 1.667 1.396 ( -0.731 -1.938 -0.300) 2.093 1.396 ( -0.731 1.938 -0.300) 2.093 1.448 ( 0.580 -1.394 0.434) 1.571 1.448 ( 0.580 1.394 0.434) 1.571 1.501 ( 0.739 -1.828 0.134) 1.976 1.501 ( 0.739 1.828 0.134) 1.976 1.533 ( 0.298 -2.371 -0.845) 2.535 1.533 ( 0.298 2.371 -0.845) 2.535 1.546 ( 1.022 -0.764 -0.236) 1.297 1.546 ( 1.022 0.764 -0.236) 1.297 1.647 ( 1.090 -0.464 0.333) 1.230 1.647 ( 1.090 0.464 0.333) 1.230 1.673 ( -0.293 -0.837 1.339) 1.606 1.673 ( -0.293 0.837 1.339) 1.606 1.708 ( 1.466 -0.388 0.926) 1.777 1.708 ( 1.466 0.388 0.926) 1.777 1.788 ( 2.068 -1.430 -2.334) 3.431 1.788 ( 2.068 1.430 -2.334) 3.431 1.833 ( 0.132 -0.492 1.060) 1.176 1.833 ( 0.132 0.492 1.060) 1.176 1.903 ( -0.586 -1.336 0.499) 1.542 1.903 ( -0.586 1.336 0.499) 1.542 1.945 ( -2.819 -1.863 1.399) 3.658 1.945 ( -2.819 1.863 1.399) 3.658 2.028 ( 0.232 -1.884 -1.870) 2.665 2.028 ( 0.232 1.884 -1.870) 2.665 2.169 ( 0.836 -0.209 0.621) 1.063 2.169 ( 0.836 0.209 0.621) 1.063 2.230 ( 0.175 -2.079 -0.542) 2.156 2.230 ( 0.175 2.079 -0.542) 2.156 2.264 ( 1.210 -0.167 0.264) 1.249 2.264 ( 1.210 0.167 0.264) 1.249 2.298 ( -2.624 -2.933 -0.660) 3.990 2.298 ( -2.624 2.933 -0.660) 3.990 2.402 ( 0.381 -2.681 -0.097) 2.710 2.402 ( 0.381 2.681 -0.097) 2.710 2.471 ( -0.692 -4.726 1.050) 4.890 2.471 ( -0.692 4.726 1.050) 4.890 2.557 ( 2.997 -3.231 -0.683) 4.460 2.557 ( 2.997 3.231 -0.683) 4.460 2.654 ( 2.971 -2.189 0.186) 3.695 2.654 ( 2.971 2.189 0.186) 3.695 3.293 ( 1.368 -0.522 0.242) 1.484 3.293 ( 1.368 0.522 0.242) 1.484 3.401 ( 0.613 -1.423 -1.545) 2.188 3.401 ( 0.613 1.423 -1.545) 2.188 3.476 ( 1.397 -1.768 1.513) 2.714 3.476 ( 1.397 1.768 1.513) 2.714 3.705 ( 1.191 -2.036 -0.850) 2.507 3.705 ( 1.191 2.036 -0.850) 2.507 3.820 ( 0.314 -1.870 1.247) 2.270 3.820 ( 0.314 1.870 1.247) 2.270 4.010 ( 2.433 -2.127 -0.650) 3.297 4.010 ( 2.433 2.127 -0.650) 3.297 4.077 ( 3.091 -1.644 0.518) 3.539 4.077 ( 3.091 1.644 0.518) 3.539 4.170 ( 1.164 -0.625 0.063) 1.323 4.170 ( 1.164 0.625 0.063) 1.323 4.278 ( -1.765 -1.362 -1.265) 2.563 4.278 ( -1.765 1.362 -1.265) 2.563 4.443 ( 1.302 -1.651 -2.928) 3.604 4.443 ( 1.302 1.651 -2.928) 3.604 4.535 ( -3.009 -1.187 4.142) 5.256 4.535 ( -3.009 1.187 4.142) 5.256 4.597 ( 3.191 -1.215 -0.303) 3.428 4.597 ( 3.191 1.215 -0.303) 3.428 4.733 ( 3.066 -1.310 0.074) 3.335 4.733 ( 3.066 1.310 0.074) 3.335 5.106 ( -0.504 -3.950 0.414) 4.004 5.106 ( -0.504 3.950 0.414) 4.004 5.179 ( -1.228 -6.395 -0.354) 6.522 5.179 ( -1.228 6.395 -0.354) 6.522 5.227 ( 3.685 -3.821 -0.091) 5.309 5.227 ( 3.685 3.821 -0.091) 5.309 5.372 ( 2.264 -3.354 1.229) 4.229 5.372 ( 2.264 3.354 1.229) 4.229 5.490 ( -1.308 -2.391 -4.966) 5.664 5.490 ( -1.308 2.391 -4.966) 5.664 5.595 ( 0.028 -1.132 3.729) 3.897 5.595 ( 0.028 1.132 3.729) 3.897 5.743 ( -2.855 -0.348 -0.073) 2.877 5.743 ( -2.855 0.348 -0.073) 2.877 5.902 ( 0.288 -0.843 -0.452) 0.999 5.902 ( 0.288 0.843 -0.452) 0.999 5.924 ( -1.022 -1.395 0.399) 1.775 5.924 ( -1.022 1.395 0.399) 1.775 6.182 ( -1.695 -1.038 -0.008) 1.988 6.182 ( -1.695 1.038 -0.008) 1.988 6.266 ( 0.395 -0.393 -1.004) 1.148 6.266 ( 0.395 0.393 -1.004) 1.148 6.334 ( 0.350 -0.642 0.539) 0.908 6.334 ( 0.350 0.642 0.539) 0.908 6.415 ( 0.140 -1.169 0.295) 1.214 6.415 ( 0.140 1.169 0.295) 1.214 6.583 ( 0.832 -0.674 0.077) 1.074 6.583 ( 0.832 0.674 0.077) 1.074 6.667 ( 3.123 -1.927 -0.035) 3.670 6.667 ( 3.123 1.927 -0.035) 3.670 6.749 ( 0.646 -1.594 0.017) 1.720 6.749 ( 0.646 1.594 0.017) 1.720 6.845 ( 0.614 -0.402 -0.132) 0.746 6.845 ( 0.614 0.402 -0.132) 0.746 6.868 ( 0.337 -0.279 0.327) 0.546 6.868 ( 0.337 0.279 0.327) 0.546 6.929 ( -0.042 -0.694 -0.162) 0.714 6.929 ( -0.042 0.694 -0.162) 0.714 7.100 ( 1.264 -2.003 0.036) 2.369 7.100 ( 1.264 2.003 0.036) 2.369 7.128 ( -0.357 -1.975 -0.604) 2.096 7.128 ( -0.357 1.975 -0.604) 2.096 7.164 ( -0.489 -0.653 0.756) 1.112 7.164 ( -0.489 0.653 0.756) 1.112 7.231 ( -2.998 -5.179 -0.356) 5.994 7.231 ( -2.998 5.179 -0.356) 5.994 7.341 ( -0.724 -0.715 0.073) 1.020 7.341 ( -0.724 0.715 0.073) 1.020 7.437 ( 0.897 -1.822 0.232) 2.044 7.437 ( 0.897 1.822 0.232) 2.044 7.463 ( 0.379 -0.847 -0.333) 0.986 7.463 ( 0.379 0.847 -0.333) 0.986 7.589 ( 0.416 -0.757 0.087) 0.868 7.589 ( 0.416 0.757 0.087) 0.868 7.705 ( 1.156 -0.830 0.001) 1.423 7.705 ( 1.156 0.830 0.001) 1.423 7.779 ( -0.261 -0.178 -0.035) 0.318 7.779 ( -0.261 0.178 -0.035) 0.318 7.876 ( -0.110 -1.270 0.126) 1.281 7.876 ( -0.110 1.270 0.126) 1.281 7.915 ( -0.711 -1.578 -0.313) 1.759 7.915 ( -0.711 1.578 -0.313) 1.759 7.949 ( 0.498 -0.837 0.187) 0.992 7.949 ( 0.498 0.837 0.187) 0.992 8.014 ( -1.850 -0.079 -0.092) 1.854 8.014 ( -1.850 0.079 -0.092) 1.854 8.062 ( -0.537 -0.381 0.738) 0.989 8.062 ( -0.537 0.381 0.738) 0.989 8.127 ( -1.391 -1.258 -1.184) 2.218 8.127 ( -1.391 1.258 -1.184) 2.218 8.180 ( -0.898 -1.633 0.557) 1.946 8.180 ( -0.898 1.633 0.557) 1.946 8.391 ( -1.323 -1.029 -0.000) 1.676 8.391 ( -1.323 1.029 -0.000) 1.676 8.424 ( -1.873 -0.375 0.008) 1.910 8.424 ( -1.873 0.375 0.008) 1.910 10.225 ( -1.635 -0.333 0.004) 1.669 10.225 ( -1.635 0.333 0.004) 1.669 10.407 ( -0.436 -0.633 0.014) 0.769 10.407 ( -0.436 0.633 0.014) 0.769 10.415 ( -0.717 -0.596 -0.004) 0.933 10.415 ( -0.717 0.596 -0.004) 0.933 12.300 ( 0.061 -1.270 0.102) 1.275 12.300 ( 0.061 1.270 0.102) 1.275 12.378 ( -0.662 -2.189 -0.175) 2.294 12.378 ( -0.662 2.189 -0.175) 2.294 12.459 ( 0.503 -1.148 0.080) 1.256 12.459 ( 0.503 1.148 0.080) 1.256 14.616 ( 0.251 -0.108 -0.003) 0.274 14.616 ( 0.251 0.108 -0.003) 0.274 14.959 ( -0.569 -1.349 0.054) 1.465 14.959 ( -0.569 1.349 0.054) 1.465 14.990 ( -0.335 -1.154 -0.059) 1.203 14.990 ( -0.335 1.154 -0.059) 1.203 15.669 ( -0.057 -0.896 -0.732) 1.158 15.669 ( -0.057 0.896 -0.732) 1.158 15.700 ( 0.681 -1.207 0.740) 1.571 15.700 ( 0.681 1.207 0.740) 1.571 15.954 ( 1.021 -0.270 0.095) 1.060 15.954 ( 1.021 0.270 0.095) 1.060 16.119 ( 1.066 -0.223 -0.119) 1.095 16.119 ( 1.066 0.223 -0.119) 1.095 16.236 ( 1.352 -1.408 0.211) 1.963 16.236 ( 1.352 1.408 0.211) 1.963 16.276 ( 0.913 -2.719 -0.305) 2.884 16.276 ( 0.913 2.719 -0.305) 2.884 16.357 ( -0.979 -1.986 0.481) 2.266 16.357 ( -0.979 1.986 0.481) 2.266 16.420 ( 3.459 -0.966 -0.833) 3.686 16.420 ( 3.459 0.966 -0.833) 3.686 16.554 ( -1.036 -1.283 1.527) 2.247 16.554 ( -1.036 1.283 1.527) 2.247 16.613 ( -1.352 -1.411 -1.127) 2.255 16.613 ( -1.352 1.411 -1.127) 2.255 16.850 ( -0.598 -2.072 0.080) 2.158 16.850 ( -0.598 2.072 0.080) 2.158 17.328 ( 4.248 -0.424 -0.009) 4.269 17.328 ( 4.248 0.424 -0.009) 4.269 ======================= Grid point 26 (15/39) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 -2.002 0.000) 2.002 0.585 ( 0.000 2.002 0.000) 2.002 0.683 ( 0.000 -1.016 -0.000) 1.016 0.683 ( 0.000 1.016 0.000) 1.016 0.700 ( 0.000 -1.342 -0.000) 1.342 0.700 ( 0.000 1.342 0.000) 1.342 0.869 ( 0.000 -0.087 0.000) 0.087 0.869 ( 0.000 0.087 0.000) 0.087 0.896 ( 0.000 -1.215 0.000) 1.215 0.896 ( 0.000 1.215 0.000) 1.215 0.925 ( -0.000 -2.899 -0.000) 2.899 0.925 ( -0.000 2.899 -0.000) 2.899 0.949 ( 0.000 -2.983 -0.000) 2.983 0.949 ( 0.000 2.983 0.000) 2.983 1.032 ( 0.000 -0.100 -0.000) 0.100 1.032 ( -0.000 0.100 -0.000) 0.100 1.039 ( 0.000 -1.675 0.000) 1.675 1.039 ( 0.000 1.675 0.000) 1.675 1.111 ( 0.000 -0.971 -0.000) 0.971 1.111 ( 0.000 0.971 -0.000) 0.971 1.174 ( 0.000 -1.951 -0.000) 1.951 1.174 ( 0.000 1.951 -0.000) 1.951 1.202 ( 0.000 -0.333 0.000) 0.333 1.202 ( 0.000 0.333 0.000) 0.333 1.271 ( 0.000 -1.207 0.000) 1.207 1.271 ( 0.000 1.207 -0.000) 1.207 1.343 ( -0.000 -1.392 0.000) 1.392 1.343 ( -0.000 1.392 0.000) 1.392 1.362 ( 0.000 -0.176 0.000) 0.176 1.362 ( 0.000 0.176 0.000) 0.176 1.381 ( 0.000 -0.638 -0.000) 0.638 1.381 ( 0.000 0.638 -0.000) 0.638 1.449 ( 0.000 -0.647 0.000) 0.647 1.449 ( 0.000 0.647 0.000) 0.647 1.494 ( 0.000 -1.091 0.000) 1.091 1.494 ( 0.000 1.091 0.000) 1.091 1.555 ( 0.000 -0.096 -0.000) 0.096 1.555 ( 0.000 0.096 0.000) 0.096 1.560 ( 0.000 -0.154 -0.000) 0.154 1.560 ( -0.000 0.154 0.000) 0.154 1.627 ( 0.000 -0.670 -0.000) 0.670 1.627 ( 0.000 0.670 0.000) 0.670 1.676 ( 0.000 -0.682 -0.000) 0.682 1.676 ( 0.000 0.682 0.000) 0.682 1.736 ( 0.000 -1.001 -0.000) 1.001 1.736 ( 0.000 1.001 0.000) 1.001 1.816 ( -0.000 -1.125 0.000) 1.125 1.816 ( 0.000 1.125 0.000) 1.125 1.833 ( 0.000 -2.864 -0.000) 2.864 1.833 ( -0.000 2.864 0.000) 2.864 1.882 ( 0.000 -0.219 0.000) 0.219 1.882 ( 0.000 0.219 0.000) 0.219 1.925 ( 0.000 -2.456 -0.000) 2.456 1.925 ( 0.000 2.456 0.000) 2.456 2.020 ( 0.000 -1.808 0.000) 1.808 2.020 ( 0.000 1.808 -0.000) 1.808 2.178 ( 0.000 -0.018 -0.000) 0.018 2.178 ( 0.000 0.018 0.000) 0.018 2.221 ( 0.000 -2.414 -0.000) 2.414 2.221 ( 0.000 2.414 0.000) 2.414 2.250 ( 0.000 -3.411 0.000) 3.411 2.250 ( 0.000 3.411 -0.000) 3.411 2.303 ( 0.000 -1.291 0.000) 1.291 2.303 ( 0.000 1.291 -0.000) 1.291 2.406 ( 0.000 -3.481 -0.000) 3.481 2.406 ( 0.000 3.481 0.000) 3.481 2.463 ( 0.000 -5.996 0.000) 5.996 2.463 ( 0.000 5.996 0.000) 5.996 2.597 ( 0.000 -0.899 0.000) 0.899 2.597 ( 0.000 0.899 0.000) 0.899 2.690 ( 0.000 -0.120 0.000) 0.120 2.690 ( 0.000 0.120 -0.000) 0.120 3.310 ( 0.000 -0.727 0.000) 0.727 3.310 ( 0.000 0.727 -0.000) 0.727 3.402 ( 0.000 -1.426 0.000) 1.426 3.402 ( 0.000 1.426 0.000) 1.426 3.496 ( 0.000 -0.683 -0.000) 0.683 3.496 ( 0.000 0.683 0.000) 0.683 3.720 ( 0.000 -3.108 -0.000) 3.108 3.720 ( 0.000 3.108 -0.000) 3.108 3.828 ( 0.000 -1.647 0.000) 1.647 3.828 ( 0.000 1.647 -0.000) 1.647 4.036 ( 0.000 -0.333 0.000) 0.333 4.036 ( 0.000 0.333 -0.000) 0.333 4.105 ( 0.000 -1.784 0.000) 1.784 4.105 ( 0.000 1.784 -0.000) 1.784 4.181 ( 0.000 -2.812 -0.000) 2.812 4.181 ( 0.000 2.812 -0.000) 2.812 4.253 ( 0.000 -3.182 0.000) 3.182 4.253 ( 0.000 3.182 0.000) 3.182 4.458 ( 0.000 -1.914 -0.000) 1.914 4.458 ( 0.000 1.914 -0.000) 1.914 4.500 ( 0.000 -1.263 0.000) 1.263 4.500 ( 0.000 1.263 0.000) 1.263 4.640 ( 0.000 -3.476 0.000) 3.476 4.640 ( 0.000 3.476 0.000) 3.476 4.767 ( 0.000 -0.106 -0.000) 0.106 4.767 ( 0.000 0.106 -0.000) 0.106 5.094 ( 0.000 -3.577 0.000) 3.577 5.094 ( 0.000 3.577 -0.000) 3.577 5.158 ( 0.000 -5.518 0.000) 5.518 5.158 ( 0.000 5.518 -0.000) 5.518 5.278 ( 0.000 -3.758 0.000) 3.758 5.278 ( 0.000 3.758 0.000) 3.758 5.385 ( 0.000 -4.927 -0.000) 4.927 5.385 ( 0.000 4.927 0.000) 4.927 5.473 ( 0.000 -1.165 -0.000) 1.165 5.473 ( 0.000 1.165 0.000) 1.165 5.607 ( 0.000 -2.765 0.000) 2.765 5.607 ( 0.000 2.765 -0.000) 2.765 5.715 ( 0.000 -0.134 0.000) 0.134 5.715 ( 0.000 0.134 0.000) 0.134 5.894 ( 0.000 -0.212 0.000) 0.212 5.894 ( 0.000 0.212 0.000) 0.212 5.919 ( 0.000 -0.096 0.000) 0.096 5.919 ( 0.000 0.096 0.000) 0.096 6.164 ( 0.000 -1.351 0.000) 1.351 6.164 ( 0.000 1.351 0.000) 1.351 6.269 ( 0.000 -0.666 -0.000) 0.666 6.269 ( 0.000 0.666 0.000) 0.666 6.338 ( 0.000 -0.854 -0.000) 0.854 6.338 ( 0.000 0.854 0.000) 0.854 6.417 ( 0.000 -0.358 0.000) 0.358 6.417 ( 0.000 0.358 0.000) 0.358 6.592 ( 0.000 -0.148 0.000) 0.148 6.592 ( 0.000 0.148 -0.000) 0.148 6.700 ( -0.000 -1.822 -0.000) 1.822 6.700 ( 0.000 1.822 0.000) 1.822 6.754 ( 0.000 -1.050 -0.000) 1.050 6.754 ( 0.000 1.050 0.000) 1.050 6.855 ( 0.000 -0.850 -0.000) 0.850 6.855 ( 0.000 0.850 0.000) 0.850 6.873 ( 0.000 -0.101 0.000) 0.101 6.873 ( 0.000 0.101 -0.000) 0.101 6.927 ( 0.000 -0.538 0.000) 0.538 6.927 ( 0.000 0.538 -0.000) 0.538 7.108 ( 0.000 -1.565 -0.000) 1.565 7.108 ( 0.000 1.565 0.000) 1.565 7.138 ( 0.000 -2.197 0.000) 2.197 7.138 ( 0.000 2.197 -0.000) 2.197 7.166 ( 0.000 -3.340 -0.000) 3.340 7.166 ( 0.000 3.340 0.000) 3.340 7.183 ( 0.000 -5.492 -0.000) 5.492 7.183 ( 0.000 5.492 0.000) 5.492 7.333 ( 0.000 -0.594 0.000) 0.594 7.333 ( 0.000 0.594 -0.000) 0.594 7.448 ( 0.000 -0.357 0.000) 0.357 7.448 ( 0.000 0.357 0.000) 0.357 7.466 ( 0.000 -0.766 0.000) 0.766 7.466 ( 0.000 0.766 0.000) 0.766 7.592 ( 0.000 -0.850 0.000) 0.850 7.592 ( 0.000 0.850 0.000) 0.850 7.721 ( 0.000 -0.101 -0.000) 0.101 7.721 ( 0.000 0.101 -0.000) 0.101 7.773 ( 0.000 -0.225 -0.000) 0.225 7.773 ( 0.000 0.225 0.000) 0.225 7.873 ( 0.000 -1.804 0.000) 1.804 7.873 ( 0.000 1.804 -0.000) 1.804 7.910 ( 0.000 -1.906 0.000) 1.906 7.910 ( 0.000 1.906 0.000) 1.906 7.955 ( 0.000 -0.231 0.000) 0.231 7.955 ( 0.000 0.231 0.000) 0.231 7.995 ( 0.000 -0.141 0.000) 0.141 7.995 ( 0.000 0.141 -0.000) 0.141 8.054 ( 0.000 -0.497 0.000) 0.497 8.054 ( 0.000 0.497 0.000) 0.497 8.112 ( 0.000 -0.850 -0.000) 0.850 8.112 ( 0.000 0.850 0.000) 0.850 8.170 ( 0.000 -1.348 -0.000) 1.348 8.170 ( 0.000 1.348 -0.000) 1.348 8.378 ( 0.000 -0.020 -0.000) 0.020 8.378 ( 0.000 0.020 -0.000) 0.020 8.404 ( 0.000 -0.325 -0.000) 0.325 8.404 ( 0.000 0.325 -0.000) 0.325 10.208 ( 0.000 -0.021 -0.000) 0.021 10.208 ( 0.000 0.021 0.000) 0.021 10.401 ( 0.000 -0.185 -0.000) 0.185 10.401 ( 0.000 0.185 -0.000) 0.185 10.408 ( 0.000 -0.159 0.000) 0.159 10.408 ( 0.000 0.159 -0.000) 0.159 12.301 ( 0.000 -1.689 0.000) 1.689 12.301 ( 0.000 1.689 0.000) 1.689 12.371 ( 0.000 -2.758 0.000) 2.758 12.371 ( 0.000 2.758 -0.000) 2.758 12.465 ( 0.000 -1.293 -0.000) 1.293 12.465 ( 0.000 1.293 0.000) 1.293 14.618 ( 0.000 -0.111 -0.000) 0.111 14.618 ( 0.000 0.111 -0.000) 0.111 14.953 ( 0.000 -1.369 -0.000) 1.369 14.953 ( 0.000 1.369 0.000) 1.369 14.987 ( 0.000 -1.147 0.000) 1.147 14.987 ( 0.000 1.147 -0.000) 1.147 15.667 ( 0.000 -0.752 -0.000) 0.752 15.667 ( 0.000 0.752 0.000) 0.752 15.708 ( 0.000 -1.237 0.000) 1.237 15.708 ( 0.000 1.237 0.000) 1.237 15.965 ( 0.000 -0.431 0.000) 0.431 15.965 ( 0.000 0.431 0.000) 0.431 16.129 ( 0.000 -0.420 -0.000) 0.420 16.129 ( 0.000 0.420 0.000) 0.420 16.250 ( 0.000 -1.230 0.000) 1.230 16.250 ( 0.000 1.230 -0.000) 1.230 16.286 ( 0.000 -2.892 0.000) 2.892 16.286 ( 0.000 2.892 -0.000) 2.892 16.342 ( -0.000 -0.930 0.000) 0.930 16.342 ( 0.000 0.930 0.000) 0.930 16.456 ( 0.000 -0.615 -0.000) 0.615 16.456 ( 0.000 0.615 -0.000) 0.615 16.543 ( 0.000 -0.092 -0.000) 0.092 16.543 ( 0.000 0.092 0.000) 0.092 16.603 ( 0.000 -0.992 -0.000) 0.992 16.603 ( 0.000 0.992 0.000) 0.992 16.845 ( 0.000 -0.513 0.000) 0.513 16.845 ( 0.000 0.513 -0.000) 0.513 17.371 ( 0.000 -0.276 0.000) 0.276 17.371 ( 0.000 0.276 0.000) 0.276 ======================= Grid point 45 (16/39) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 4.497 0.000 14.992) 15.652 0.303 ( -2.026 0.000 16.034) 16.161 0.527 ( -3.259 0.000 -10.136) 10.647 0.547 ( -0.011 0.000 6.975) 6.975 0.576 ( -2.466 0.000 10.416) 10.704 0.736 ( 1.199 0.000 0.097) 1.203 0.745 ( 0.673 0.000 -0.778) 1.028 0.756 ( 0.546 0.000 0.123) 0.560 0.796 ( -0.544 0.000 0.145) 0.563 0.858 ( 2.856 0.000 1.228) 3.109 0.881 ( -1.996 0.000 -0.002) 1.996 0.910 ( -1.146 0.000 0.226) 1.168 0.928 ( 0.897 0.000 -0.299) 0.945 0.940 ( -0.199 0.000 -5.163) 5.167 0.976 ( -0.659 0.000 1.466) 1.607 0.986 ( -0.222 0.000 0.101) 0.243 0.986 ( 0.284 0.000 0.979) 1.019 0.988 ( 2.313 0.000 0.616) 2.394 1.025 ( -2.601 0.000 1.432) 2.969 1.026 ( 0.304 0.000 -2.195) 2.216 1.056 ( 0.053 0.000 -4.912) 4.912 1.078 ( -1.931 0.000 -2.070) 2.831 1.085 ( -0.002 0.000 0.474) 0.474 1.094 ( 0.263 0.000 -0.397) 0.476 1.132 ( 0.582 0.000 0.317) 0.663 1.138 ( 2.042 0.000 -0.678) 2.151 1.200 ( -0.518 0.000 1.727) 1.803 1.220 ( 1.153 0.000 -1.950) 2.266 1.249 ( -1.281 0.000 0.733) 1.476 1.278 ( 0.234 0.000 -1.483) 1.502 1.335 ( 0.772 0.000 1.180) 1.410 1.340 ( 1.087 0.000 1.018) 1.489 1.358 ( 0.918 0.000 0.736) 1.177 1.366 ( -1.245 0.000 -1.076) 1.646 1.413 ( -2.816 0.000 2.776) 3.955 1.419 ( -1.308 0.000 2.103) 2.477 1.440 ( 1.245 0.000 2.613) 2.894 1.455 ( -1.064 0.000 2.471) 2.691 1.526 ( 0.230 0.000 -2.148) 2.160 1.538 ( 1.381 0.000 -0.288) 1.411 1.556 ( -2.311 0.000 -1.545) 2.780 1.568 ( 1.893 0.000 -3.616) 4.081 1.599 ( 0.676 0.000 -1.440) 1.591 1.603 ( -0.198 0.000 -0.813) 0.837 1.657 ( 2.366 0.000 -0.756) 2.484 1.677 ( -1.912 0.000 -4.831) 5.196 1.720 ( 1.223 0.000 0.913) 1.527 1.760 ( 0.267 0.000 -2.636) 2.650 1.773 ( 0.763 0.000 1.072) 1.316 1.804 ( -0.928 0.000 -1.929) 2.140 1.845 ( -0.279 0.000 0.935) 0.976 1.865 ( 0.123 0.000 -1.128) 1.134 1.936 ( -1.002 0.000 -0.081) 1.006 1.949 ( 0.999 0.000 -1.700) 1.972 2.002 ( 0.766 0.000 0.117) 0.775 2.016 ( 0.133 0.000 -0.919) 0.928 2.076 ( -4.007 0.000 3.637) 5.411 2.126 ( 2.736 0.000 -1.796) 3.273 2.166 ( -2.764 0.000 2.044) 3.438 2.171 ( 2.220 0.000 0.654) 2.315 2.236 ( -0.515 0.000 0.827) 0.974 2.258 ( 0.836 0.000 -1.708) 1.901 2.329 ( -1.066 0.000 0.771) 1.316 2.335 ( 0.456 0.000 -0.314) 0.553 2.415 ( -0.377 0.000 0.090) 0.388 2.431 ( -0.049 0.000 -1.428) 1.428 2.478 ( -3.607 0.000 2.223) 4.237 2.493 ( 2.604 0.000 0.570) 2.665 2.535 ( 2.805 0.000 3.031) 4.129 2.585 ( -1.764 0.000 -2.208) 2.826 2.789 ( -0.277 0.000 0.160) 0.320 2.792 ( 0.062 0.000 -0.127) 0.141 3.227 ( -1.695 0.000 3.399) 3.798 3.303 ( 2.725 0.000 -4.886) 5.594 3.427 ( 7.977 0.000 2.212) 8.279 3.465 ( -4.357 0.000 -1.686) 4.672 3.486 ( -3.869 0.000 3.037) 4.918 3.535 ( 3.071 0.000 -2.653) 4.058 3.645 ( -0.764 0.000 0.215) 0.794 3.659 ( 0.485 0.000 -1.224) 1.317 3.719 ( -2.619 0.000 2.567) 3.667 3.762 ( 2.140 0.000 -2.129) 3.018 3.885 ( 0.181 0.000 4.272) 4.276 3.943 ( 0.908 0.000 -2.145) 2.330 4.057 ( -4.576 0.000 -0.117) 4.577 4.072 ( 3.897 0.000 -1.994) 4.378 4.129 ( 2.340 0.000 1.683) 2.883 4.147 ( -2.576 0.000 0.208) 2.585 4.212 ( 3.583 0.000 -0.138) 3.585 4.221 ( -2.891 0.000 -0.935) 3.038 4.311 ( 3.530 0.000 0.756) 3.610 4.315 ( -4.266 0.000 0.753) 4.332 4.522 ( 1.273 0.000 -0.265) 1.300 4.526 ( 0.543 0.000 -0.731) 0.911 4.549 ( -0.726 0.000 0.820) 1.096 4.565 ( -0.041 0.000 -0.729) 0.730 4.684 ( -1.258 0.000 0.223) 1.277 4.685 ( 1.038 0.000 0.122) 1.045 4.799 ( 1.838 0.000 0.599) 1.933 4.813 ( -0.699 0.000 -1.053) 1.264 4.872 ( 0.078 0.000 1.873) 1.874 4.900 ( -1.142 0.000 -1.244) 1.689 5.135 ( -1.150 0.000 3.782) 3.953 5.237 ( -1.354 0.000 -7.610) 7.729 5.470 ( -0.333 0.000 2.755) 2.775 5.492 ( 4.818 0.000 -0.730) 4.873 5.553 ( -0.559 0.000 0.910) 1.068 5.557 ( -1.008 0.000 0.119) 1.015 5.612 ( 2.635 0.000 0.797) 2.753 5.625 ( -3.561 0.000 -0.429) 3.587 5.870 ( -0.188 0.000 0.959) 0.977 5.881 ( 0.473 0.000 -0.155) 0.498 5.925 ( 0.507 0.000 1.873) 1.940 5.951 ( -0.744 0.000 -0.933) 1.193 6.104 ( -0.892 0.000 0.275) 0.933 6.126 ( 0.724 0.000 -2.124) 2.244 6.255 ( -0.085 0.000 0.061) 0.105 6.270 ( 0.720 0.000 -1.710) 1.855 6.301 ( -2.390 0.000 0.856) 2.539 6.321 ( 2.300 0.000 -1.264) 2.624 6.361 ( 0.798 0.000 1.685) 1.864 6.375 ( -1.383 0.000 0.030) 1.383 6.380 ( -1.228 0.000 2.044) 2.384 6.417 ( 1.423 0.000 -1.871) 2.351 6.461 ( -2.559 0.000 0.867) 2.702 6.473 ( 2.782 0.000 -0.361) 2.805 6.521 ( -0.402 0.000 -0.252) 0.474 6.523 ( 0.527 0.000 -0.446) 0.690 6.546 ( -0.539 0.000 0.387) 0.663 6.550 ( 0.715 0.000 -0.137) 0.728 6.853 ( -0.032 0.000 0.142) 0.146 6.855 ( 0.034 0.000 -0.081) 0.088 6.892 ( -1.183 0.000 0.385) 1.244 6.900 ( 1.312 0.000 -0.416) 1.376 6.923 ( 1.396 0.000 0.613) 1.525 6.936 ( -1.358 0.000 -0.691) 1.523 7.125 ( 1.030 0.000 1.137) 1.534 7.140 ( -0.692 0.000 -0.388) 0.794 7.172 ( 1.082 0.000 0.132) 1.090 7.182 ( -0.464 0.000 -0.814) 0.937 7.235 ( 0.281 0.000 -0.280) 0.396 7.240 ( -1.259 0.000 -0.952) 1.579 7.268 ( 0.605 0.000 0.895) 1.080 7.277 ( 0.204 0.000 0.036) 0.207 7.321 ( 1.247 0.000 1.289) 1.793 7.344 ( -0.756 0.000 -1.157) 1.382 7.376 ( -0.464 0.000 0.328) 0.568 7.382 ( -0.653 0.000 -0.129) 0.666 7.403 ( 1.264 0.000 0.246) 1.288 7.408 ( -1.872 0.000 -0.087) 1.874 7.617 ( 0.324 0.000 0.495) 0.592 7.628 ( -0.376 0.000 -0.620) 0.725 7.645 ( -0.161 0.000 0.319) 0.358 7.650 ( 0.301 0.000 -0.157) 0.339 7.755 ( -0.414 0.000 0.352) 0.544 7.765 ( 0.537 0.000 -0.886) 1.036 7.811 ( 0.146 0.000 1.055) 1.066 7.828 ( -0.366 0.000 -0.820) 0.898 7.884 ( -0.264 0.000 1.248) 1.275 7.904 ( 0.176 0.000 -0.849) 0.867 8.018 ( -0.143 0.000 1.415) 1.422 8.050 ( 0.259 0.000 -1.838) 1.856 8.062 ( -0.961 0.000 0.141) 0.972 8.064 ( 0.257 0.000 -0.130) 0.288 8.113 ( -1.242 0.000 0.438) 1.317 8.121 ( 0.087 0.000 -0.461) 0.470 8.173 ( 0.758 0.000 -0.279) 0.808 8.174 ( -0.635 0.000 -0.254) 0.684 8.224 ( -1.852 0.000 1.755) 2.551 8.248 ( 0.998 0.000 -1.005) 1.417 8.502 ( 0.189 0.000 -0.020) 0.190 8.503 ( -0.128 0.000 -0.136) 0.186 8.512 ( -0.094 0.000 0.458) 0.468 8.519 ( 0.024 0.000 -0.280) 0.281 10.306 ( 0.092 0.000 1.084) 1.087 10.329 ( -0.210 0.000 -1.394) 1.410 10.414 ( 0.034 0.000 0.548) 0.549 10.425 ( 0.659 0.000 -0.707) 0.966 10.466 ( -0.644 0.000 1.571) 1.698 10.491 ( 0.200 0.000 -1.099) 1.117 12.304 ( -0.068 0.000 0.289) 0.297 12.310 ( 0.062 0.000 -0.310) 0.316 12.377 ( 0.390 0.000 0.187) 0.433 12.381 ( -0.407 0.000 -0.181) 0.445 12.506 ( -6.215 0.000 0.236) 6.220 12.510 ( 1.985 0.000 -0.225) 1.998 14.585 ( -0.007 0.000 0.001) 0.007 14.585 ( 0.004 0.000 0.005) 0.006 14.972 ( 0.200 0.000 0.345) 0.398 14.981 ( -0.219 0.000 -0.620) 0.658 15.026 ( 0.072 0.000 0.547) 0.552 15.033 ( -0.055 0.000 -0.277) 0.283 15.605 ( 0.308 0.000 0.487) 0.576 15.615 ( -0.330 0.000 -0.459) 0.566 15.834 ( 17.287 0.000 0.615) 17.298 15.846 ( -5.509 0.000 -0.685) 5.551 15.880 ( 0.555 0.000 0.226) 0.599 15.885 ( -0.720 0.000 -0.414) 0.831 15.988 ( -0.137 0.000 0.930) 0.940 16.004 ( -0.512 0.000 -0.691) 0.860 16.113 ( 8.314 0.000 0.127) 8.315 16.116 ( -3.188 0.000 -0.177) 3.193 16.124 ( 0.230 0.000 0.110) 0.255 16.126 ( -0.273 0.000 -0.101) 0.291 16.233 ( 1.417 0.000 0.132) 1.423 16.235 ( -1.329 0.000 -0.077) 1.331 16.428 ( 3.483 0.000 -0.094) 3.484 16.431 ( -1.367 0.000 -0.424) 1.432 16.496 ( -0.135 0.000 1.586) 1.591 16.522 ( 0.229 0.000 -1.168) 1.190 16.690 ( -11.753 0.000 0.679) 11.773 16.701 ( 3.901 0.000 -0.565) 3.941 16.851 ( -0.641 0.000 1.140) 1.308 16.874 ( 1.294 0.000 -1.201) 1.765 17.023 ( 0.441 0.000 0.276) 0.520 17.028 ( -0.489 0.000 -0.264) 0.556 ======================= Grid point 46 (17/39) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 11.132 0.000 8.402) 13.947 0.467 ( 7.484 0.000 13.518) 15.451 0.610 ( 2.788 0.000 -3.987) 4.865 0.615 ( 10.837 0.000 -6.261) 12.516 0.730 ( 6.547 0.000 -0.197) 6.550 0.733 ( -1.032 0.000 -0.575) 1.181 0.801 ( 2.813 0.000 1.016) 2.991 0.806 ( 4.131 0.000 -5.024) 6.505 0.825 ( 5.968 0.000 4.150) 7.269 0.846 ( 2.385 0.000 2.837) 3.706 0.850 ( -2.392 0.000 0.724) 2.499 0.908 ( -0.487 0.000 0.590) 0.765 0.919 ( -0.431 0.000 -0.581) 0.723 0.935 ( -0.591 0.000 1.061) 1.214 0.949 ( -0.945 0.000 -0.511) 1.074 0.964 ( -0.443 0.000 -0.921) 1.022 1.008 ( -0.249 0.000 -0.319) 0.405 1.032 ( 3.215 0.000 4.085) 5.199 1.042 ( -0.296 0.000 -1.799) 1.823 1.042 ( 4.487 0.000 -0.405) 4.506 1.070 ( 3.359 0.000 -2.281) 4.060 1.089 ( 0.637 0.000 1.307) 1.454 1.110 ( 5.346 0.000 -0.610) 5.381 1.119 ( 1.667 0.000 1.543) 2.272 1.133 ( -0.619 0.000 0.277) 0.678 1.200 ( 0.234 0.000 -1.086) 1.111 1.212 ( 2.996 0.000 1.379) 3.298 1.242 ( 3.339 0.000 -3.682) 4.971 1.260 ( 2.037 0.000 1.596) 2.588 1.282 ( 0.315 0.000 0.343) 0.466 1.340 ( -0.132 0.000 -0.906) 0.915 1.354 ( 1.736 0.000 1.606) 2.365 1.368 ( 0.778 0.000 0.914) 1.200 1.390 ( 0.395 0.000 1.317) 1.375 1.403 ( 0.817 0.000 0.622) 1.027 1.411 ( 0.141 0.000 0.099) 0.173 1.462 ( 1.505 0.000 2.202) 2.667 1.512 ( -0.474 0.000 -2.176) 2.227 1.525 ( 5.258 0.000 2.831) 5.972 1.544 ( 2.579 0.000 0.279) 2.594 1.555 ( -0.031 0.000 -0.613) 0.614 1.597 ( 2.716 0.000 0.163) 2.721 1.609 ( 2.159 0.000 0.512) 2.218 1.632 ( -0.947 0.000 -6.638) 6.705 1.665 ( -0.983 0.000 0.654) 1.181 1.684 ( 6.200 0.000 -4.661) 7.756 1.749 ( 1.654 0.000 0.821) 1.847 1.789 ( 0.329 0.000 -1.918) 1.946 1.790 ( 0.161 0.000 1.673) 1.680 1.807 ( 3.782 0.000 -3.355) 5.056 1.850 ( 0.494 0.000 -0.008) 0.494 1.870 ( 0.590 0.000 -0.451) 0.743 1.905 ( -1.866 0.000 0.818) 2.038 1.926 ( -3.121 0.000 -1.343) 3.398 2.014 ( 0.733 0.000 -1.623) 1.781 2.016 ( 0.918 0.000 -1.070) 1.410 2.053 ( 1.141 0.000 1.949) 2.259 2.124 ( -0.746 0.000 0.490) 0.892 2.186 ( 2.206 0.000 0.019) 2.206 2.214 ( 1.667 0.000 2.203) 2.763 2.230 ( 0.487 0.000 -0.236) 0.541 2.254 ( -0.766 0.000 -1.352) 1.554 2.307 ( -1.121 0.000 1.359) 1.762 2.345 ( -0.227 0.000 0.671) 0.708 2.383 ( -4.564 0.000 2.312) 5.116 2.414 ( -0.794 0.000 0.031) 0.795 2.429 ( -0.677 0.000 -1.014) 1.219 2.506 ( -5.149 0.000 -3.296) 6.114 2.536 ( 1.772 0.000 1.529) 2.341 2.562 ( -0.503 0.000 1.857) 1.924 2.785 ( -0.778 0.000 0.151) 0.793 2.791 ( 0.015 0.000 -0.351) 0.352 3.221 ( 0.714 0.000 1.608) 1.759 3.350 ( 2.338 0.000 -4.226) 4.830 3.380 ( -2.493 0.000 -3.466) 4.270 3.420 ( -2.583 0.000 3.113) 4.045 3.491 ( -0.522 0.000 4.491) 4.521 3.602 ( 3.011 0.000 -2.868) 4.158 3.673 ( -0.988 0.000 0.489) 1.102 3.703 ( 3.762 0.000 -1.083) 3.915 3.707 ( 2.891 0.000 -0.583) 2.950 3.774 ( 0.505 0.000 -0.289) 0.582 3.841 ( -2.510 0.000 3.867) 4.610 3.870 ( -3.720 0.000 -2.811) 4.663 3.984 ( -2.803 0.000 0.712) 2.891 4.112 ( -1.012 0.000 0.676) 1.218 4.133 ( -3.698 0.000 0.327) 3.713 4.177 ( -0.512 0.000 -3.960) 3.993 4.198 ( 4.872 0.000 -1.018) 4.977 4.269 ( 4.240 0.000 0.546) 4.275 4.313 ( -2.955 0.000 5.743) 6.458 4.351 ( 5.801 0.000 -0.672) 5.839 4.521 ( -1.600 0.000 0.625) 1.717 4.542 ( 0.666 0.000 -2.449) 2.538 4.552 ( -1.338 0.000 -1.329) 1.886 4.587 ( 5.451 0.000 -1.587) 5.678 4.649 ( -2.680 0.000 2.398) 3.597 4.667 ( 0.700 0.000 -0.821) 1.079 4.812 ( 0.951 0.000 -1.849) 2.079 4.830 ( 1.036 0.000 1.416) 1.754 4.997 ( 9.056 0.000 1.842) 9.242 4.999 ( 8.196 0.000 -1.596) 8.349 5.126 ( 0.155 0.000 6.044) 6.046 5.224 ( 0.832 0.000 -3.899) 3.987 5.403 ( -3.688 0.000 -1.305) 3.912 5.505 ( -3.266 0.000 -4.870) 5.864 5.565 ( -0.972 0.000 -0.459) 1.075 5.579 ( 1.199 0.000 1.521) 1.937 5.619 ( 5.328 0.000 2.919) 6.075 5.669 ( 2.208 0.000 1.153) 2.491 5.868 ( 0.428 0.000 0.234) 0.488 5.873 ( -1.238 0.000 -0.410) 1.304 5.930 ( -2.270 0.000 2.107) 3.097 5.950 ( 0.302 0.000 -1.039) 1.082 6.020 ( -6.438 0.000 0.834) 6.492 6.075 ( -3.966 0.000 -1.569) 4.265 6.227 ( -1.743 0.000 -0.663) 1.864 6.228 ( -0.962 0.000 -0.753) 1.221 6.308 ( -0.103 0.000 0.090) 0.137 6.326 ( -2.511 0.000 0.170) 2.517 6.338 ( -1.524 0.000 1.167) 1.920 6.349 ( 0.473 0.000 -0.370) 0.600 6.389 ( 0.703 0.000 1.593) 1.741 6.448 ( 1.220 0.000 -1.226) 1.729 6.483 ( 1.801 0.000 -1.472) 2.326 6.499 ( 0.417 0.000 0.937) 1.026 6.525 ( 3.072 0.000 -0.178) 3.077 6.572 ( 4.389 0.000 0.459) 4.413 6.604 ( 5.391 0.000 -0.274) 5.398 6.626 ( 4.791 0.000 0.023) 4.791 6.840 ( -1.282 0.000 0.327) 1.323 6.847 ( -0.847 0.000 -0.082) 0.851 6.867 ( -0.944 0.000 -0.251) 0.977 6.903 ( -1.354 0.000 -0.980) 1.671 6.908 ( -0.450 0.000 0.161) 0.478 6.937 ( -0.216 0.000 0.982) 1.006 7.109 ( -2.027 0.000 -1.550) 2.552 7.125 ( -0.776 0.000 0.794) 1.110 7.166 ( -1.305 0.000 -1.045) 1.672 7.167 ( -1.498 0.000 1.510) 2.128 7.208 ( -1.513 0.000 0.555) 1.612 7.228 ( -1.321 0.000 0.153) 1.330 7.249 ( -1.083 0.000 -0.299) 1.124 7.261 ( -0.967 0.000 -0.247) 0.998 7.331 ( 0.525 0.000 -1.451) 1.543 7.333 ( 0.265 0.000 0.839) 0.880 7.385 ( 0.993 0.000 1.137) 1.509 7.400 ( 1.768 0.000 -0.325) 1.798 7.425 ( 2.108 0.000 -0.175) 2.115 7.441 ( 1.779 0.000 0.414) 1.826 7.623 ( -0.721 0.000 0.292) 0.778 7.636 ( 0.682 0.000 0.285) 0.739 7.648 ( -0.001 0.000 0.073) 0.073 7.650 ( 1.280 0.000 -0.625) 1.425 7.757 ( 0.537 0.000 0.350) 0.641 7.780 ( 0.638 0.000 -0.950) 1.144 7.813 ( 0.037 0.000 1.182) 1.182 7.815 ( -0.775 0.000 -0.690) 1.038 7.881 ( -0.124 0.000 1.124) 1.130 7.905 ( 0.261 0.000 -0.319) 0.412 8.026 ( 0.547 0.000 1.201) 1.320 8.043 ( -0.340 0.000 0.634) 0.719 8.057 ( -0.863 0.000 0.248) 0.898 8.058 ( 0.602 0.000 -1.359) 1.487 8.092 ( -0.626 0.000 1.347) 1.486 8.097 ( -2.963 0.000 -0.684) 3.040 8.140 ( -1.719 0.000 -0.726) 1.866 8.144 ( -2.064 0.000 0.506) 2.125 8.195 ( -1.514 0.000 1.757) 2.319 8.261 ( 0.159 0.000 -0.611) 0.632 8.481 ( -2.030 0.000 -0.213) 2.041 8.487 ( -1.581 0.000 -0.106) 1.584 8.493 ( -1.853 0.000 0.515) 1.923 8.502 ( -1.491 0.000 -0.093) 1.494 10.290 ( -1.628 0.000 1.379) 2.133 10.305 ( -1.943 0.000 -1.500) 2.455 10.412 ( -0.355 0.000 -0.001) 0.355 10.428 ( -0.427 0.000 -0.956) 1.047 10.455 ( -0.527 0.000 1.741) 1.819 10.487 ( -0.509 0.000 -0.831) 0.974 12.309 ( 0.433 0.000 0.315) 0.535 12.320 ( 1.012 0.000 -0.363) 1.075 12.358 ( -1.300 0.000 -0.248) 1.323 12.374 ( -0.493 0.000 0.259) 0.557 12.445 ( -0.286 0.000 2.031) 2.051 12.520 ( -1.364 0.000 0.470) 1.442 14.592 ( 0.655 0.000 0.039) 0.657 14.592 ( 0.701 0.000 -0.027) 0.702 14.967 ( -0.713 0.000 0.537) 0.893 14.969 ( -0.793 0.000 -0.763) 1.100 15.026 ( -0.131 0.000 0.604) 0.618 15.031 ( -0.161 0.000 -0.382) 0.414 15.611 ( 0.063 0.000 -0.653) 0.656 15.616 ( 0.687 0.000 0.696) 0.977 15.715 ( -3.782 0.000 -5.311) 6.520 15.840 ( -3.570 0.000 2.003) 4.094 15.884 ( 0.293 0.000 -0.042) 0.296 15.907 ( 1.798 0.000 1.102) 2.109 16.025 ( 1.280 0.000 -2.127) 2.482 16.027 ( 2.668 0.000 1.711) 3.170 16.119 ( 2.436 0.000 0.543) 2.496 16.141 ( 1.315 0.000 0.264) 1.341 16.145 ( 2.446 0.000 0.273) 2.461 16.223 ( 0.505 0.000 -2.013) 2.075 16.283 ( 2.684 0.000 -0.944) 2.845 16.292 ( 3.773 0.000 -0.228) 3.780 16.434 ( 0.815 0.000 -0.101) 0.821 16.467 ( -2.935 0.000 1.121) 3.142 16.495 ( 0.140 0.000 1.625) 1.631 16.505 ( -0.525 0.000 -1.819) 1.893 16.752 ( 4.555 0.000 -3.391) 5.679 16.753 ( -1.173 0.000 1.425) 1.846 16.831 ( 0.345 0.000 1.892) 1.923 16.884 ( 3.217 0.000 -6.118) 6.913 17.073 ( 4.987 0.000 -1.038) 5.094 17.092 ( 6.025 0.000 1.214) 6.146 ======================= Grid point 47 (18/39) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 2.074 0.000 0.707) 2.191 0.610 ( 2.961 0.000 2.801) 4.076 0.651 ( 4.880 0.000 4.025) 6.325 0.698 ( -2.495 0.000 -1.123) 2.736 0.762 ( 0.133 0.000 0.509) 0.526 0.775 ( 4.332 0.000 -1.621) 4.625 0.810 ( 0.151 0.000 0.505) 0.527 0.831 ( 0.500 0.000 -0.687) 0.850 0.856 ( 2.274 0.000 0.752) 2.396 0.898 ( -1.096 0.000 1.192) 1.620 0.937 ( -0.197 0.000 -0.187) 0.272 0.938 ( 6.342 0.000 -2.869) 6.960 0.944 ( 3.875 0.000 -1.353) 4.104 0.946 ( -1.118 0.000 -0.795) 1.372 0.951 ( 4.789 0.000 1.368) 4.980 0.980 ( 3.603 0.000 -0.832) 3.698 1.013 ( 2.126 0.000 -0.008) 2.126 1.034 ( -0.664 0.000 0.252) 0.710 1.102 ( 1.246 0.000 -0.226) 1.266 1.107 ( 2.360 0.000 -1.218) 2.656 1.119 ( 2.492 0.000 -0.681) 2.583 1.140 ( 0.640 0.000 1.536) 1.664 1.158 ( 3.466 0.000 0.883) 3.576 1.175 ( -0.114 0.000 -0.349) 0.367 1.200 ( 6.867 0.000 -2.236) 7.221 1.226 ( 1.267 0.000 2.987) 3.244 1.237 ( 3.138 0.000 0.084) 3.139 1.279 ( -0.208 0.000 1.383) 1.399 1.283 ( 0.882 0.000 -0.012) 0.882 1.310 ( 0.029 0.000 0.950) 0.950 1.340 ( -1.949 0.000 1.350) 2.371 1.365 ( 0.282 0.000 -1.064) 1.100 1.407 ( 2.081 0.000 -0.159) 2.087 1.408 ( 2.896 0.000 2.253) 3.669 1.453 ( 2.065 0.000 -1.387) 2.488 1.464 ( 5.619 0.000 1.940) 5.944 1.495 ( 1.786 0.000 0.831) 1.970 1.512 ( 2.360 0.000 -3.189) 3.967 1.556 ( 0.693 0.000 -1.914) 2.035 1.593 ( 2.360 0.000 1.126) 2.614 1.603 ( 1.398 0.000 2.349) 2.734 1.635 ( 1.750 0.000 -3.266) 3.706 1.658 ( 0.252 0.000 1.404) 1.427 1.672 ( 4.156 0.000 0.256) 4.164 1.709 ( 4.687 0.000 1.366) 4.882 1.746 ( -1.050 0.000 -1.877) 2.150 1.782 ( 1.380 0.000 -0.915) 1.656 1.802 ( 0.254 0.000 0.265) 0.367 1.803 ( 2.116 0.000 -0.414) 2.156 1.822 ( -1.552 0.000 0.640) 1.678 1.854 ( -1.693 0.000 1.422) 2.211 1.871 ( -0.203 0.000 -0.906) 0.928 1.912 ( 1.624 0.000 -0.232) 1.641 1.936 ( 5.787 0.000 -3.094) 6.562 2.024 ( 0.618 0.000 -0.256) 0.669 2.026 ( 0.284 0.000 -1.812) 1.834 2.101 ( 2.616 0.000 -0.027) 2.616 2.151 ( 2.071 0.000 -1.862) 2.785 2.190 ( -0.087 0.000 -0.450) 0.458 2.219 ( -1.386 0.000 0.769) 1.585 2.249 ( -0.182 0.000 1.665) 1.675 2.260 ( -0.281 0.000 -0.541) 0.609 2.284 ( -1.471 0.000 3.097) 3.429 2.291 ( -0.424 0.000 2.037) 2.081 2.361 ( -2.657 0.000 -1.400) 3.003 2.371 ( -0.052 0.000 -1.192) 1.193 2.426 ( 2.085 0.000 -0.192) 2.094 2.434 ( -0.174 0.000 -0.803) 0.822 2.539 ( -0.641 0.000 0.667) 0.925 2.579 ( 2.239 0.000 1.100) 2.495 2.766 ( -1.039 0.000 0.014) 1.039 2.781 ( -0.935 0.000 -0.179) 0.952 3.259 ( 3.004 0.000 0.630) 3.069 3.363 ( 0.528 0.000 -2.373) 2.431 3.369 ( -0.997 0.000 1.272) 1.616 3.389 ( 0.502 0.000 -2.964) 3.006 3.485 ( -0.307 0.000 5.502) 5.511 3.613 ( -1.794 0.000 -2.430) 3.021 3.697 ( 0.769 0.000 -0.011) 0.769 3.703 ( -1.357 0.000 -0.367) 1.406 3.708 ( 0.415 0.000 -1.814) 1.861 3.809 ( 0.762 0.000 2.707) 2.812 3.872 ( 3.759 0.000 2.249) 4.381 3.919 ( 7.405 0.000 -1.633) 7.583 3.977 ( 3.481 0.000 -1.119) 3.657 4.064 ( -1.826 0.000 -1.095) 2.129 4.083 ( -1.942 0.000 1.505) 2.456 4.145 ( -1.600 0.000 -3.134) 3.518 4.252 ( 0.701 0.000 2.704) 2.793 4.306 ( 2.239 0.000 2.052) 3.037 4.357 ( 3.520 0.000 0.195) 3.526 4.416 ( 0.363 0.000 0.236) 0.433 4.502 ( -0.765 0.000 2.422) 2.540 4.506 ( -3.143 0.000 -1.778) 3.611 4.544 ( -0.341 0.000 -3.992) 4.006 4.621 ( 1.047 0.000 -0.981) 1.435 4.666 ( -1.042 0.000 2.261) 2.490 4.715 ( 5.930 0.000 -3.705) 6.992 4.854 ( 3.043 0.000 0.290) 3.056 4.855 ( 1.890 0.000 1.702) 2.544 5.109 ( 2.327 0.000 -0.412) 2.363 5.131 ( 3.215 0.000 1.083) 3.393 5.188 ( 5.544 0.000 5.163) 7.576 5.264 ( 3.707 0.000 -2.622) 4.541 5.371 ( 0.647 0.000 1.226) 1.386 5.426 ( -3.146 0.000 -4.915) 5.836 5.565 ( 0.559 0.000 -1.937) 2.016 5.595 ( 0.349 0.000 1.830) 1.863 5.690 ( 0.396 0.000 -1.258) 1.319 5.702 ( 1.859 0.000 3.148) 3.656 5.799 ( -9.069 0.000 1.543) 9.199 5.804 ( -5.444 0.000 -2.075) 5.826 5.889 ( 1.002 0.000 -0.242) 1.031 5.933 ( -0.846 0.000 0.415) 0.942 5.959 ( -0.307 0.000 1.649) 1.678 6.040 ( -0.740 0.000 -1.472) 1.648 6.194 ( -1.895 0.000 0.013) 1.895 6.235 ( 1.319 0.000 0.330) 1.359 6.286 ( -1.724 0.000 -0.141) 1.730 6.290 ( -0.938 0.000 -0.371) 1.008 6.312 ( -1.371 0.000 1.552) 2.071 6.348 ( -0.536 0.000 -1.091) 1.216 6.417 ( 1.742 0.000 1.102) 2.061 6.466 ( 1.188 0.000 -0.767) 1.414 6.510 ( 1.492 0.000 -2.003) 2.498 6.513 ( 0.701 0.000 1.296) 1.473 6.615 ( 4.879 0.000 -1.616) 5.139 6.641 ( 2.221 0.000 1.976) 2.973 6.712 ( 3.467 0.000 0.567) 3.513 6.720 ( 6.037 0.000 -0.594) 6.066 6.820 ( -0.060 0.000 0.348) 0.354 6.835 ( -0.007 0.000 -0.227) 0.228 6.862 ( 0.636 0.000 -1.043) 1.222 6.888 ( -0.930 0.000 -0.808) 1.232 6.896 ( 0.200 0.000 0.980) 1.000 6.921 ( -1.269 0.000 0.616) 1.411 7.064 ( -2.493 0.000 -0.553) 2.553 7.097 ( -2.294 0.000 0.564) 2.363 7.124 ( -2.377 0.000 0.432) 2.416 7.132 ( -1.771 0.000 -0.477) 1.835 7.188 ( -0.505 0.000 -0.330) 0.604 7.206 ( -0.780 0.000 0.289) 0.831 7.255 ( 0.440 0.000 0.010) 0.440 7.257 ( 1.432 0.000 -0.036) 1.432 7.336 ( 0.053 0.000 -1.261) 1.262 7.345 ( 0.803 0.000 0.981) 1.268 7.405 ( 0.832 0.000 1.244) 1.497 7.431 ( 1.358 0.000 -0.995) 1.684 7.462 ( 1.395 0.000 0.183) 1.407 7.466 ( 0.956 0.000 -0.128) 0.965 7.598 ( -1.633 0.000 0.612) 1.744 7.624 ( -0.792 0.000 -0.323) 0.855 7.675 ( 1.807 0.000 0.557) 1.891 7.689 ( 2.356 0.000 -0.770) 2.479 7.766 ( -0.131 0.000 0.246) 0.279 7.776 ( -0.807 0.000 -0.437) 0.917 7.802 ( -0.089 0.000 -0.140) 0.166 7.819 ( 0.351 0.000 0.264) 0.440 7.884 ( 0.385 0.000 0.970) 1.043 7.911 ( 0.345 0.000 -0.349) 0.491 8.015 ( -2.107 0.000 0.270) 2.124 8.026 ( -1.717 0.000 -0.651) 1.836 8.036 ( -2.293 0.000 -0.864) 2.450 8.053 ( 0.436 0.000 1.064) 1.150 8.066 ( 0.286 0.000 0.199) 0.348 8.093 ( -0.113 0.000 0.387) 0.403 8.103 ( -1.584 0.000 -1.244) 2.014 8.111 ( -1.307 0.000 -0.090) 1.310 8.166 ( -1.556 0.000 1.933) 2.481 8.250 ( -1.159 0.000 -0.791) 1.403 8.430 ( -3.038 0.000 -0.183) 3.044 8.442 ( -3.040 0.000 0.038) 3.040 8.451 ( -2.159 0.000 0.317) 2.182 8.465 ( -2.157 0.000 -0.141) 2.162 10.257 ( -1.699 0.000 1.467) 2.244 10.259 ( -2.363 0.000 -1.390) 2.742 10.400 ( -0.733 0.000 -0.296) 0.790 10.412 ( -0.885 0.000 -0.266) 0.924 10.446 ( -0.641 0.000 0.864) 1.076 10.466 ( -1.498 0.000 -0.487) 1.575 12.312 ( -0.354 0.000 0.439) 0.564 12.328 ( -1.055 0.000 -0.917) 1.398 12.351 ( 1.468 0.000 0.358) 1.511 12.373 ( 0.681 0.000 0.053) 0.683 12.449 ( 0.166 0.000 0.831) 0.847 12.483 ( -1.797 0.000 -0.430) 1.848 14.606 ( 0.664 0.000 0.098) 0.672 14.607 ( 0.733 0.000 -0.089) 0.738 14.950 ( -0.965 0.000 0.761) 1.228 14.953 ( -0.672 0.000 -0.964) 1.175 15.021 ( -0.500 0.000 0.687) 0.850 15.025 ( -0.397 0.000 -0.470) 0.615 15.615 ( 0.334 0.000 -0.574) 0.664 15.633 ( 0.903 0.000 0.635) 1.104 15.682 ( -0.140 0.000 -2.261) 2.265 15.782 ( -2.521 0.000 1.278) 2.826 15.905 ( 1.584 0.000 -0.618) 1.700 15.946 ( 1.828 0.000 1.264) 2.223 16.035 ( 0.553 0.000 -2.148) 2.218 16.081 ( 2.073 0.000 2.671) 3.381 16.166 ( 0.892 0.000 0.266) 0.931 16.167 ( 2.164 0.000 -0.223) 2.176 16.220 ( 4.139 0.000 1.313) 4.342 16.240 ( 1.699 0.000 -2.623) 3.125 16.332 ( 2.486 0.000 0.929) 2.654 16.356 ( 2.597 0.000 -1.288) 2.899 16.425 ( -1.040 0.000 -0.713) 1.261 16.436 ( -0.495 0.000 1.580) 1.656 16.505 ( 0.700 0.000 -1.428) 1.591 16.517 ( 1.718 0.000 1.600) 2.347 16.693 ( -3.584 0.000 -1.621) 3.933 16.725 ( -3.456 0.000 1.626) 3.820 16.855 ( 1.132 0.000 2.974) 3.182 16.922 ( 0.528 0.000 -4.043) 4.077 17.205 ( 7.331 0.000 -2.078) 7.620 17.224 ( 6.575 0.000 1.590) 6.765 ======================= Grid point 48 (19/39) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.873 0.000 -0.965) 1.301 0.628 ( -0.633 0.000 -0.353) 0.725 0.654 ( -0.733 0.000 0.599) 0.947 0.734 ( 0.179 0.000 0.597) 0.624 0.777 ( 1.688 0.000 1.274) 2.115 0.797 ( -0.616 0.000 1.386) 1.516 0.818 ( 1.181 0.000 0.549) 1.303 0.834 ( 0.272 0.000 -0.255) 0.373 0.870 ( -0.440 0.000 -1.950) 1.999 0.874 ( -0.931 0.000 -0.412) 1.018 0.934 ( 0.169 0.000 -0.054) 0.178 0.944 ( 1.161 0.000 -0.144) 1.170 1.004 ( 0.192 0.000 0.544) 0.576 1.013 ( 1.706 0.000 1.300) 2.145 1.043 ( 0.887 0.000 1.342) 1.609 1.044 ( 1.717 0.000 -0.364) 1.755 1.044 ( 3.161 0.000 0.136) 3.164 1.094 ( 3.687 0.000 -2.438) 4.420 1.131 ( 1.770 0.000 -0.502) 1.839 1.153 ( 4.194 0.000 0.193) 4.198 1.157 ( 1.898 0.000 -1.070) 2.179 1.177 ( 3.406 0.000 -1.563) 3.747 1.180 ( 0.630 0.000 0.428) 0.762 1.213 ( 1.984 0.000 1.412) 2.435 1.239 ( -0.889 0.000 -1.462) 1.711 1.249 ( 0.930 0.000 0.808) 1.232 1.277 ( 1.608 0.000 0.231) 1.624 1.291 ( 0.533 0.000 2.402) 2.460 1.303 ( 0.780 0.000 0.772) 1.098 1.312 ( 0.364 0.000 -1.048) 1.110 1.347 ( 1.852 0.000 -0.759) 2.002 1.368 ( 1.211 0.000 -0.690) 1.394 1.442 ( -0.562 0.000 3.115) 3.166 1.466 ( 4.252 0.000 -0.229) 4.258 1.491 ( 1.902 0.000 -1.298) 2.302 1.512 ( 0.346 0.000 0.924) 0.986 1.533 ( 2.067 0.000 -2.097) 2.944 1.563 ( 0.622 0.000 -0.050) 0.624 1.582 ( 1.183 0.000 -0.962) 1.524 1.582 ( -0.902 0.000 0.160) 0.916 1.641 ( 0.633 0.000 -0.610) 0.879 1.669 ( -0.128 0.000 2.271) 2.275 1.671 ( 0.824 0.000 0.372) 0.904 1.692 ( -0.246 0.000 1.054) 1.082 1.745 ( 0.142 0.000 -1.899) 1.904 1.749 ( 0.165 0.000 1.291) 1.301 1.768 ( -2.830 0.000 -0.631) 2.899 1.774 ( -2.344 0.000 0.804) 2.478 1.805 ( 0.690 0.000 -0.410) 0.802 1.809 ( 1.083 0.000 -2.744) 2.950 1.861 ( 0.470 0.000 2.726) 2.766 1.882 ( 0.152 0.000 -0.388) 0.417 1.922 ( 0.535 0.000 -0.526) 0.750 1.948 ( -1.732 0.000 1.138) 2.073 2.062 ( 2.820 0.000 2.405) 3.706 2.080 ( 1.990 0.000 -5.138) 5.510 2.121 ( -1.246 0.000 -0.110) 1.250 2.153 ( -0.537 0.000 -0.903) 1.050 2.156 ( -1.399 0.000 0.750) 1.588 2.172 ( -4.153 0.000 -1.654) 4.470 2.220 ( -3.034 0.000 1.149) 3.244 2.223 ( 0.803 0.000 -0.027) 0.804 2.275 ( -2.137 0.000 -0.672) 2.240 2.314 ( 1.083 0.000 2.700) 2.909 2.367 ( 1.271 0.000 1.863) 2.255 2.380 ( 1.923 0.000 -1.853) 2.671 2.522 ( 7.620 0.000 0.026) 7.620 2.537 ( 7.810 0.000 0.009) 7.810 2.576 ( 3.808 0.000 0.283) 3.818 2.624 ( 2.421 0.000 -0.162) 2.426 2.744 ( -1.421 0.000 -0.453) 1.491 2.753 ( -2.115 0.000 0.400) 2.152 3.327 ( 3.385 0.000 -0.008) 3.385 3.348 ( -0.732 0.000 1.465) 1.637 3.383 ( 1.596 0.000 -0.752) 1.764 3.412 ( 1.687 0.000 -1.734) 2.420 3.478 ( -1.247 0.000 2.195) 2.525 3.555 ( -3.541 0.000 -1.600) 3.886 3.668 ( -1.757 0.000 -0.030) 1.758 3.671 ( -0.301 0.000 -2.014) 2.036 3.790 ( 4.607 0.000 0.421) 4.626 3.822 ( 0.289 0.000 4.627) 4.636 3.939 ( 3.334 0.000 -1.622) 3.707 4.005 ( -0.138 0.000 -1.213) 1.221 4.016 ( 1.078 0.000 -2.539) 2.758 4.044 ( -2.067 0.000 0.992) 2.293 4.136 ( 6.213 0.000 -0.521) 6.235 4.152 ( 2.719 0.000 1.217) 2.979 4.300 ( 3.634 0.000 4.059) 5.448 4.329 ( -1.286 0.000 -0.451) 1.362 4.353 ( -3.444 0.000 0.072) 3.444 4.408 ( -1.186 0.000 2.979) 3.206 4.457 ( 0.150 0.000 -2.884) 2.888 4.507 ( 1.757 0.000 -0.567) 1.846 4.531 ( 0.019 0.000 -4.636) 4.636 4.612 ( -4.199 0.000 2.843) 5.071 4.695 ( 5.608 0.000 -1.688) 5.857 4.798 ( 2.804 0.000 -0.708) 2.892 4.906 ( 2.356 0.000 0.260) 2.370 4.906 ( 1.644 0.000 1.547) 2.257 5.131 ( 0.495 0.000 -0.665) 0.829 5.171 ( 2.766 0.000 0.250) 2.777 5.283 ( 2.628 0.000 1.649) 3.103 5.306 ( -0.943 0.000 -3.020) 3.164 5.400 ( 1.490 0.000 0.054) 1.491 5.403 ( 1.564 0.000 3.855) 4.160 5.561 ( -1.797 0.000 -2.479) 3.062 5.583 ( -2.188 0.000 -0.862) 2.352 5.655 ( -4.315 0.000 2.466) 4.970 5.667 ( -2.499 0.000 -0.502) 2.549 5.709 ( 1.826 0.000 -1.834) 2.588 5.759 ( -0.338 0.000 -0.478) 0.586 5.900 ( 0.349 0.000 0.056) 0.354 5.925 ( -0.147 0.000 0.962) 0.973 5.955 ( -0.873 0.000 1.711) 1.920 6.009 ( -2.284 0.000 -1.192) 2.577 6.155 ( -1.643 0.000 1.209) 2.040 6.242 ( -1.919 0.000 -1.321) 2.330 6.269 ( 1.140 0.000 0.658) 1.316 6.286 ( 0.387 0.000 -0.513) 0.642 6.293 ( -0.743 0.000 1.884) 2.025 6.332 ( -0.649 0.000 -1.741) 1.858 6.450 ( 1.498 0.000 1.327) 2.001 6.495 ( 1.794 0.000 -0.951) 2.030 6.520 ( -0.316 0.000 1.516) 1.549 6.527 ( 0.265 0.000 -2.238) 2.254 6.664 ( 0.299 0.000 2.049) 2.070 6.687 ( 2.427 0.000 -2.900) 3.782 6.757 ( 1.821 0.000 1.561) 2.399 6.822 ( 4.021 0.000 -1.298) 4.225 6.835 ( -0.348 0.000 -0.442) 0.563 6.842 ( 1.159 0.000 0.872) 1.451 6.862 ( -0.977 0.000 -0.082) 0.981 6.895 ( 2.293 0.000 -0.244) 2.305 6.901 ( -0.351 0.000 -0.282) 0.450 6.923 ( 1.754 0.000 0.684) 1.883 7.018 ( -1.889 0.000 1.056) 2.164 7.058 ( -1.155 0.000 -0.069) 1.157 7.088 ( -1.434 0.000 -0.160) 1.443 7.103 ( -1.099 0.000 -0.613) 1.258 7.183 ( -0.094 0.000 -0.681) 0.688 7.191 ( -0.897 0.000 0.639) 1.102 7.274 ( 1.347 0.000 -0.097) 1.351 7.290 ( 1.262 0.000 0.422) 1.331 7.338 ( 0.814 0.000 -1.236) 1.480 7.360 ( 0.350 0.000 1.097) 1.151 7.416 ( 0.127 0.000 1.254) 1.260 7.445 ( 0.224 0.000 -1.623) 1.638 7.478 ( 0.340 0.000 0.493) 0.599 7.482 ( 0.668 0.000 -0.209) 0.700 7.573 ( -0.729 0.000 0.899) 1.157 7.612 ( -0.549 0.000 -0.753) 0.932 7.704 ( 0.735 0.000 0.912) 1.171 7.727 ( 1.347 0.000 -1.228) 1.822 7.755 ( -0.212 0.000 -0.425) 0.475 7.759 ( -0.727 0.000 0.130) 0.739 7.817 ( 1.230 0.000 0.072) 1.232 7.821 ( -0.130 0.000 0.618) 0.632 7.899 ( 1.041 0.000 -0.177) 1.056 7.916 ( 0.176 0.000 -0.154) 0.234 7.977 ( -1.401 0.000 0.606) 1.527 7.984 ( -2.220 0.000 -0.288) 2.239 8.001 ( -1.336 0.000 0.131) 1.342 8.054 ( -0.486 0.000 0.913) 1.034 8.055 ( -1.856 0.000 -1.022) 2.119 8.069 ( -0.347 0.000 -0.540) 0.642 8.093 ( -0.437 0.000 -0.004) 0.437 8.097 ( -0.498 0.000 0.124) 0.514 8.148 ( -0.271 0.000 1.212) 1.242 8.217 ( -1.983 0.000 -0.771) 2.128 8.374 ( -2.255 0.000 0.006) 2.255 8.384 ( -2.492 0.000 -0.125) 2.495 8.416 ( -1.357 0.000 0.286) 1.387 8.426 ( -1.572 0.000 -0.169) 1.581 10.220 ( -1.302 0.000 -0.710) 1.482 10.230 ( -1.219 0.000 0.797) 1.456 10.390 ( -0.049 0.000 -0.017) 0.052 10.400 ( -0.221 0.000 -0.276) 0.354 10.430 ( -1.055 0.000 0.260) 1.087 10.432 ( -1.851 0.000 -0.102) 1.854 12.301 ( -0.654 0.000 0.353) 0.743 12.307 ( -0.831 0.000 -0.415) 0.928 12.384 ( 1.505 0.000 0.098) 1.508 12.394 ( 1.062 0.000 -0.054) 1.063 12.450 ( -0.098 0.000 0.337) 0.351 12.458 ( -0.731 0.000 -0.310) 0.794 14.615 ( 0.268 0.000 0.131) 0.298 14.617 ( 0.315 0.000 -0.131) 0.341 14.934 ( -0.747 0.000 0.861) 1.140 14.943 ( -0.209 0.000 -1.088) 1.108 15.011 ( -0.559 0.000 0.743) 0.930 15.017 ( -0.309 0.000 -0.477) 0.568 15.623 ( 0.574 0.000 -0.091) 0.581 15.648 ( 0.471 0.000 0.059) 0.475 15.685 ( 0.504 0.000 -0.104) 0.514 15.742 ( -1.631 0.000 -0.022) 1.631 15.935 ( 1.457 0.000 -0.263) 1.480 15.972 ( 0.543 0.000 0.261) 0.603 16.050 ( 1.179 0.000 -0.827) 1.440 16.098 ( -0.532 0.000 1.378) 1.477 16.180 ( 0.711 0.000 0.610) 0.937 16.200 ( 1.206 0.000 -0.781) 1.437 16.277 ( 1.273 0.000 1.325) 1.837 16.278 ( 2.012 0.000 -1.866) 2.744 16.373 ( 1.545 0.000 0.501) 1.624 16.387 ( 0.824 0.000 -0.507) 0.967 16.425 ( 0.873 0.000 -0.992) 1.322 16.434 ( 0.220 0.000 1.022) 1.045 16.527 ( 1.534 0.000 -0.804) 1.732 16.554 ( 1.682 0.000 1.292) 2.120 16.629 ( -2.586 0.000 -1.777) 3.138 16.659 ( -3.339 0.000 1.701) 3.747 16.880 ( 1.126 0.000 1.454) 1.839 16.919 ( -0.131 0.000 -1.720) 1.725 17.321 ( 4.493 0.000 -1.038) 4.611 17.329 ( 3.705 0.000 0.931) 3.820 ======================= Grid point 49 (20/39) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.394 0.000 -0.072) 0.400 0.601 ( -1.093 0.000 -1.415) 1.788 0.676 ( 1.895 0.000 2.119) 2.842 0.712 ( -1.555 0.000 -1.827) 2.399 0.786 ( 0.115 0.000 2.214) 2.217 0.788 ( -0.110 0.000 1.477) 1.481 0.838 ( 0.210 0.000 -0.582) 0.619 0.853 ( 1.374 0.000 -2.200) 2.593 0.859 ( -0.791 0.000 -0.808) 1.130 0.872 ( 0.704 0.000 -1.332) 1.506 0.944 ( 0.524 0.000 0.580) 0.781 0.954 ( -0.268 0.000 -0.541) 0.603 1.011 ( -1.055 0.000 1.637) 1.947 1.020 ( 0.957 0.000 3.107) 3.251 1.044 ( -0.318 0.000 0.492) 0.586 1.066 ( 0.397 0.000 -0.287) 0.490 1.068 ( -0.550 0.000 -0.587) 0.804 1.102 ( -0.288 0.000 -3.413) 3.425 1.167 ( -0.054 0.000 0.138) 0.148 1.177 ( -0.002 0.000 -0.837) 0.837 1.178 ( 0.949 0.000 1.424) 1.711 1.204 ( -1.132 0.000 -0.840) 1.410 1.219 ( 0.366 0.000 -1.007) 1.072 1.221 ( -0.290 0.000 -0.556) 0.627 1.256 ( 0.108 0.000 0.770) 0.777 1.272 ( -0.244 0.000 -0.890) 0.923 1.290 ( 0.112 0.000 1.871) 1.875 1.305 ( 0.314 0.000 1.191) 1.232 1.314 ( 0.865 0.000 -0.839) 1.205 1.321 ( 0.917 0.000 -0.545) 1.066 1.375 ( -3.713 0.000 0.871) 3.814 1.377 ( 1.033 0.000 0.360) 1.094 1.437 ( 2.885 0.000 1.296) 3.163 1.479 ( -1.736 0.000 -2.716) 3.224 1.505 ( -0.114 0.000 1.745) 1.749 1.532 ( 0.177 0.000 -1.065) 1.080 1.545 ( -0.173 0.000 1.010) 1.025 1.567 ( 0.107 0.000 -1.221) 1.225 1.587 ( -0.581 0.000 0.372) 0.689 1.605 ( 1.180 0.000 -1.379) 1.815 1.637 ( -1.221 0.000 0.642) 1.379 1.646 ( 1.021 0.000 -0.292) 1.062 1.672 ( -3.480 0.000 1.064) 3.639 1.687 ( 1.428 0.000 -0.479) 1.506 1.717 ( -0.110 0.000 0.570) 0.580 1.733 ( 0.993 0.000 -1.123) 1.499 1.755 ( 0.315 0.000 1.846) 1.872 1.776 ( 1.608 0.000 -0.032) 1.608 1.795 ( -2.158 0.000 0.393) 2.194 1.813 ( -0.655 0.000 -1.751) 1.870 1.872 ( 0.375 0.000 0.800) 0.884 1.882 ( -0.097 0.000 -0.401) 0.412 1.958 ( 3.019 0.000 2.492) 3.915 1.997 ( 4.849 0.000 2.585) 5.495 2.006 ( -2.964 0.000 -2.376) 3.799 2.044 ( -5.730 0.000 -2.377) 6.204 2.122 ( -0.531 0.000 1.567) 1.654 2.134 ( 1.345 0.000 -0.225) 1.364 2.136 ( -1.139 0.000 -0.796) 1.389 2.162 ( 0.517 0.000 -2.250) 2.309 2.204 ( 2.595 0.000 0.050) 2.596 2.209 ( -1.493 0.000 -0.301) 1.523 2.299 ( 3.739 0.000 0.649) 3.795 2.303 ( -2.508 0.000 0.216) 2.517 2.373 ( -1.049 0.000 2.817) 3.006 2.410 ( 0.604 0.000 -1.189) 1.333 2.599 ( -0.662 0.000 0.787) 1.029 2.618 ( 0.903 0.000 -1.325) 1.604 2.664 ( -1.634 0.000 0.898) 1.864 2.672 ( -0.032 0.000 -0.149) 0.152 2.704 ( -0.313 0.000 0.291) 0.427 2.713 ( 1.270 0.000 -0.657) 1.430 3.342 ( -0.220 0.000 1.282) 1.301 3.369 ( 0.874 0.000 -1.422) 1.669 3.414 ( 0.524 0.000 1.485) 1.575 3.441 ( -2.327 0.000 0.615) 2.407 3.451 ( 2.149 0.000 -0.251) 2.164 3.488 ( -1.842 0.000 -2.237) 2.897 3.652 ( -0.146 0.000 0.766) 0.780 3.674 ( 0.397 0.000 -1.588) 1.637 3.824 ( -0.849 0.000 3.521) 3.622 3.859 ( 2.006 0.000 0.439) 2.053 3.986 ( -2.684 0.000 -1.831) 3.249 3.987 ( 1.551 0.000 -1.686) 2.291 4.013 ( 1.109 0.000 0.010) 1.109 4.023 ( -0.200 0.000 -1.814) 1.825 4.179 ( -1.412 0.000 3.032) 3.345 4.211 ( 0.656 0.000 -0.954) 1.158 4.290 ( -1.288 0.000 -0.187) 1.301 4.294 ( 0.814 0.000 -0.166) 0.831 4.385 ( -1.227 0.000 4.661) 4.820 4.388 ( 3.224 0.000 4.793) 5.776 4.478 ( 0.395 0.000 -3.899) 3.919 4.508 ( -1.570 0.000 -6.143) 6.340 4.537 ( -2.343 0.000 1.327) 2.693 4.573 ( 4.138 0.000 -2.556) 4.864 4.778 ( 1.572 0.000 2.026) 2.564 4.801 ( -3.613 0.000 -0.428) 3.639 4.914 ( -0.728 0.000 1.677) 1.829 4.932 ( 0.397 0.000 -0.370) 0.542 5.160 ( 2.923 0.000 2.189) 3.652 5.214 ( -4.194 0.000 -3.612) 5.535 5.259 ( 2.579 0.000 0.659) 2.662 5.279 ( -2.467 0.000 -1.664) 2.976 5.439 ( 2.428 0.000 4.057) 4.728 5.466 ( 3.366 0.000 3.748) 5.037 5.504 ( -1.528 0.000 -2.618) 3.031 5.535 ( -2.522 0.000 -3.322) 4.171 5.613 ( -0.819 0.000 2.183) 2.332 5.664 ( 1.366 0.000 -3.340) 3.609 5.734 ( -2.256 0.000 0.510) 2.313 5.745 ( 1.378 0.000 -0.645) 1.521 5.924 ( 2.237 0.000 0.108) 2.239 5.927 ( -1.248 0.000 0.049) 1.249 5.939 ( 1.095 0.000 1.736) 2.053 5.963 ( -1.748 0.000 -0.604) 1.850 6.153 ( 1.276 0.000 2.700) 2.986 6.205 ( -1.238 0.000 -2.850) 3.108 6.280 ( -0.758 0.000 1.490) 1.672 6.289 ( 0.638 0.000 1.219) 1.376 6.294 ( 0.101 0.000 -0.197) 0.222 6.323 ( 0.030 0.000 -2.073) 2.073 6.477 ( 0.962 0.000 1.798) 2.040 6.505 ( -1.224 0.000 1.183) 1.702 6.513 ( -1.046 0.000 -2.047) 2.298 6.529 ( 1.425 0.000 -1.273) 1.911 6.665 ( -0.456 0.000 1.839) 1.895 6.707 ( 0.265 0.000 -2.728) 2.741 6.795 ( 1.569 0.000 1.824) 2.406 6.820 ( -1.040 0.000 -1.101) 1.514 6.833 ( -1.019 0.000 1.246) 1.609 6.863 ( 0.732 0.000 -2.064) 2.190 6.875 ( 0.774 0.000 0.428) 0.884 6.885 ( -1.183 0.000 -0.756) 1.404 6.935 ( 0.639 0.000 0.826) 1.045 6.938 ( -0.751 0.000 0.420) 0.861 7.009 ( 0.924 0.000 2.156) 2.345 7.043 ( -0.665 0.000 -1.470) 1.614 7.076 ( 0.433 0.000 0.359) 0.562 7.088 ( -0.279 0.000 -0.873) 0.916 7.176 ( -0.514 0.000 0.519) 0.730 7.185 ( 0.439 0.000 -0.337) 0.553 7.293 ( -0.548 0.000 0.088) 0.556 7.299 ( 0.959 0.000 -0.628) 1.146 7.351 ( -1.452 0.000 1.081) 1.810 7.365 ( 1.192 0.000 -0.429) 1.267 7.416 ( -0.121 0.000 1.253) 1.259 7.444 ( 0.134 0.000 -1.827) 1.832 7.481 ( -0.130 0.000 0.546) 0.562 7.488 ( -0.072 0.000 -0.042) 0.084 7.576 ( 0.644 0.000 1.174) 1.339 7.599 ( -0.521 0.000 -1.252) 1.356 7.708 ( -0.087 0.000 1.176) 1.179 7.735 ( 0.033 0.000 -1.718) 1.718 7.750 ( -0.400 0.000 0.513) 0.650 7.761 ( 0.427 0.000 -0.581) 0.721 7.821 ( 0.031 0.000 1.016) 1.017 7.833 ( 0.093 0.000 -0.348) 0.360 7.912 ( -0.744 0.000 0.096) 0.750 7.919 ( 0.481 0.000 -0.649) 0.808 7.957 ( -0.234 0.000 0.215) 0.318 7.959 ( 0.385 0.000 0.016) 0.385 7.996 ( 0.790 0.000 1.454) 1.655 8.025 ( -0.963 0.000 -1.693) 1.948 8.047 ( -0.107 0.000 0.901) 0.907 8.063 ( -0.019 0.000 -0.623) 0.623 8.089 ( -0.109 0.000 0.272) 0.293 8.091 ( 0.172 0.000 0.033) 0.175 8.159 ( 1.200 0.000 1.303) 1.772 8.183 ( -0.960 0.000 -1.237) 1.565 8.352 ( 0.114 0.000 0.163) 0.199 8.357 ( -0.154 0.000 -0.270) 0.311 8.404 ( 0.128 0.000 0.323) 0.348 8.409 ( -0.093 0.000 -0.241) 0.258 10.212 ( -0.591 0.000 0.007) 0.591 10.212 ( 0.567 0.000 -0.013) 0.567 10.400 ( -0.026 0.000 0.352) 0.353 10.405 ( 0.238 0.000 0.143) 0.278 10.405 ( 0.833 0.000 -0.199) 0.857 10.409 ( -1.033 0.000 -0.310) 1.079 12.293 ( -0.055 0.000 0.262) 0.268 12.299 ( 0.059 0.000 -0.282) 0.288 12.401 ( 0.149 0.000 0.140) 0.204 12.404 ( -0.155 0.000 -0.140) 0.208 12.448 ( -0.036 0.000 0.158) 0.162 12.451 ( 0.035 0.000 -0.145) 0.149 14.618 ( -0.012 0.000 0.135) 0.136 14.620 ( 0.013 0.000 -0.141) 0.141 14.925 ( -0.234 0.000 0.782) 0.816 14.942 ( 0.310 0.000 -1.101) 1.144 15.004 ( -0.195 0.000 0.771) 0.796 15.014 ( 0.117 0.000 -0.410) 0.426 15.635 ( 0.576 0.000 0.515) 0.773 15.646 ( -0.613 0.000 -0.628) 0.877 15.700 ( 1.024 0.000 0.930) 1.383 15.717 ( -0.932 0.000 -0.864) 1.271 15.958 ( 0.741 0.000 0.408) 0.846 15.967 ( -0.947 0.000 -0.566) 1.103 16.076 ( 1.454 0.000 0.185) 1.466 16.078 ( -1.330 0.000 -0.003) 1.330 16.191 ( 0.155 0.000 0.993) 1.005 16.210 ( -0.066 0.000 -1.065) 1.067 16.280 ( -0.815 0.000 1.239) 1.483 16.303 ( 0.682 0.000 -1.196) 1.377 16.392 ( 0.239 0.000 0.008) 0.239 16.392 ( -0.201 0.000 -0.023) 0.203 16.435 ( -0.422 0.000 0.113) 0.437 16.441 ( 0.607 0.000 -0.547) 0.817 16.558 ( -1.719 0.000 -0.197) 1.730 16.560 ( 1.959 0.000 -0.369) 1.993 16.604 ( -2.448 0.000 1.399) 2.819 16.618 ( 2.014 0.000 -0.108) 2.017 16.896 ( 0.182 0.000 0.851) 0.870 16.915 ( -0.123 0.000 -1.162) 1.169 17.362 ( -0.525 0.000 0.427) 0.677 17.370 ( 0.516 0.000 -0.418) 0.664 ======================= Grid point 50 (21/39) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.197 0.000 -0.261) 0.327 0.613 ( 1.849 0.000 0.466) 1.906 0.683 ( -0.873 0.000 -1.819) 2.018 0.721 ( 2.344 0.000 1.951) 3.050 0.795 ( 0.248 0.000 -0.306) 0.393 0.800 ( 0.871 0.000 1.499) 1.734 0.817 ( -3.065 0.000 1.394) 3.367 0.838 ( -0.340 0.000 -1.640) 1.675 0.883 ( 0.495 0.000 -0.529) 0.724 0.888 ( 2.313 0.000 -4.136) 4.739 0.939 ( -0.794 0.000 -0.499) 0.937 0.941 ( -1.176 0.000 0.311) 1.216 0.993 ( -0.945 0.000 0.806) 1.242 1.005 ( -2.757 0.000 3.384) 4.365 1.034 ( -2.554 0.000 1.231) 2.836 1.051 ( -2.160 0.000 -0.466) 2.210 1.055 ( 0.305 0.000 -0.235) 0.385 1.084 ( -2.306 0.000 -2.433) 3.352 1.133 ( -4.015 0.000 0.705) 4.077 1.136 ( -2.901 0.000 -0.937) 3.048 1.165 ( -1.488 0.000 0.036) 1.488 1.168 ( -4.101 0.000 -1.151) 4.260 1.199 ( -0.686 0.000 -1.790) 1.917 1.209 ( 0.198 0.000 1.882) 1.892 1.240 ( -1.447 0.000 -1.640) 2.187 1.250 ( -0.500 0.000 1.015) 1.131 1.267 ( -4.523 0.000 1.250) 4.692 1.287 ( 0.215 0.000 1.282) 1.300 1.309 ( -0.023 0.000 0.665) 0.665 1.333 ( 0.088 0.000 -0.631) 0.637 1.345 ( -0.167 0.000 -2.097) 2.103 1.362 ( -1.762 0.000 0.159) 1.769 1.434 ( -2.051 0.000 2.499) 3.233 1.485 ( 0.654 0.000 1.110) 1.288 1.506 ( -4.893 0.000 -1.917) 5.255 1.507 ( -1.525 0.000 -2.360) 2.810 1.529 ( -0.181 0.000 -0.632) 0.658 1.545 ( -3.466 0.000 2.670) 4.375 1.569 ( -1.718 0.000 0.235) 1.733 1.584 ( 3.490 0.000 -1.227) 3.699 1.626 ( 0.458 0.000 0.817) 0.936 1.671 ( 0.847 0.000 1.579) 1.791 1.683 ( 1.618 0.000 -0.631) 1.737 1.715 ( -0.340 0.000 1.650) 1.685 1.731 ( 0.662 0.000 1.192) 1.364 1.732 ( -3.673 0.000 -2.421) 4.399 1.755 ( 0.153 0.000 1.123) 1.133 1.788 ( -1.419 0.000 -1.245) 1.887 1.790 ( 2.309 0.000 0.727) 2.421 1.804 ( 0.863 0.000 0.154) 0.876 1.875 ( -0.600 0.000 -0.054) 0.603 1.884 ( 0.660 0.000 -0.084) 0.666 1.938 ( -2.413 0.000 -1.759) 2.986 1.974 ( 0.298 0.000 -0.591) 0.662 2.003 ( -0.508 0.000 2.586) 2.636 2.087 ( -2.689 0.000 -1.626) 3.142 2.115 ( 2.171 0.000 0.384) 2.205 2.138 ( 6.123 0.000 1.715) 6.358 2.151 ( -0.324 0.000 -1.093) 1.140 2.188 ( 1.492 0.000 -1.950) 2.455 2.228 ( -3.323 0.000 -0.701) 3.396 2.240 ( 3.729 0.000 -0.520) 3.765 2.276 ( 3.644 0.000 0.329) 3.658 2.334 ( -2.997 0.000 2.602) 3.969 2.347 ( 0.388 0.000 -0.686) 0.789 2.387 ( -3.138 0.000 -0.425) 3.167 2.524 ( -6.402 0.000 -0.302) 6.409 2.533 ( -8.171 0.000 0.575) 8.191 2.585 ( -3.030 0.000 -0.964) 3.180 2.603 ( -3.309 0.000 1.834) 3.783 2.743 ( 1.882 0.000 -0.235) 1.897 2.759 ( 1.495 0.000 -0.139) 1.501 3.330 ( -1.357 0.000 -0.082) 1.359 3.369 ( -1.647 0.000 1.204) 2.041 3.382 ( -2.899 0.000 -0.957) 3.053 3.382 ( -1.265 0.000 -0.587) 1.395 3.504 ( 2.729 0.000 3.159) 4.175 3.513 ( 3.279 0.000 -1.710) 3.698 3.652 ( 0.188 0.000 -0.247) 0.310 3.680 ( 0.593 0.000 -1.037) 1.194 3.791 ( -2.895 0.000 0.686) 2.975 3.861 ( -2.065 0.000 2.323) 3.108 3.946 ( -0.243 0.000 -3.892) 3.900 3.983 ( -1.935 0.000 1.121) 2.237 4.009 ( -1.248 0.000 -2.018) 2.372 4.049 ( 2.306 0.000 0.431) 2.346 4.121 ( -4.518 0.000 1.378) 4.723 4.151 ( -5.193 0.000 0.477) 5.215 4.333 ( 3.728 0.000 -0.499) 3.762 4.343 ( 2.615 0.000 1.571) 3.051 4.353 ( -2.504 0.000 0.017) 2.504 4.413 ( -0.273 0.000 3.769) 3.779 4.470 ( 0.513 0.000 -0.776) 0.931 4.475 ( -0.465 0.000 -5.976) 5.995 4.544 ( 1.279 0.000 -2.267) 2.603 4.635 ( 1.815 0.000 0.827) 1.994 4.681 ( -6.143 0.000 -1.519) 6.328 4.750 ( -3.964 0.000 3.462) 5.263 4.892 ( -1.470 0.000 1.502) 2.102 4.917 ( -2.233 0.000 0.309) 2.254 5.139 ( -2.018 0.000 -1.329) 2.416 5.172 ( -2.749 0.000 0.267) 2.762 5.256 ( 0.291 0.000 2.119) 2.139 5.287 ( -0.084 0.000 -0.063) 0.105 5.465 ( -3.452 0.000 -5.289) 6.316 5.486 ( -1.212 0.000 -4.595) 4.752 5.495 ( 0.880 0.000 4.244) 4.335 5.538 ( 4.150 0.000 3.622) 5.508 5.649 ( 5.058 0.000 1.298) 5.222 5.682 ( -2.851 0.000 0.924) 2.997 5.708 ( 4.076 0.000 -3.139) 5.144 5.752 ( -0.661 0.000 0.478) 0.816 5.909 ( -0.549 0.000 -0.866) 1.025 5.930 ( -0.600 0.000 0.576) 0.832 5.973 ( 1.705 0.000 2.782) 3.263 5.989 ( 2.509 0.000 -1.917) 3.158 6.196 ( 0.721 0.000 -3.009) 3.094 6.202 ( 3.014 0.000 2.812) 4.122 6.270 ( -0.199 0.000 1.243) 1.259 6.285 ( -0.880 0.000 -0.702) 1.126 6.300 ( 0.380 0.000 1.589) 1.634 6.327 ( 0.443 0.000 -1.837) 1.889 6.475 ( -1.453 0.000 1.740) 2.267 6.483 ( -1.674 0.000 -1.932) 2.556 6.492 ( -0.196 0.000 0.850) 0.872 6.545 ( 0.168 0.000 -1.193) 1.205 6.647 ( -1.668 0.000 1.521) 2.257 6.701 ( -0.491 0.000 -2.007) 2.067 6.787 ( -2.255 0.000 -1.844) 2.913 6.792 ( -3.072 0.000 2.198) 3.777 6.822 ( 0.268 0.000 0.548) 0.610 6.848 ( -2.096 0.000 -0.062) 2.097 6.873 ( 0.640 0.000 -1.026) 1.209 6.881 ( -1.459 0.000 0.967) 1.750 6.903 ( -0.608 0.000 -0.190) 0.637 6.925 ( -1.432 0.000 0.483) 1.512 7.041 ( 0.839 0.000 -1.162) 1.433 7.043 ( 2.273 0.000 1.515) 2.732 7.094 ( 1.208 0.000 0.291) 1.242 7.095 ( 1.147 0.000 -0.916) 1.468 7.175 ( 0.380 0.000 0.075) 0.387 7.198 ( 0.783 0.000 -0.098) 0.789 7.277 ( -1.127 0.000 -0.267) 1.158 7.293 ( -1.959 0.000 0.248) 1.974 7.326 ( -0.334 0.000 -0.008) 0.334 7.371 ( -0.262 0.000 -0.112) 0.285 7.417 ( -0.109 0.000 1.381) 1.385 7.444 ( -0.186 0.000 -1.750) 1.760 7.473 ( -0.626 0.000 0.516) 0.811 7.482 ( -0.557 0.000 0.150) 0.577 7.591 ( 0.777 0.000 1.387) 1.589 7.596 ( 0.430 0.000 -1.404) 1.468 7.704 ( -0.754 0.000 1.044) 1.288 7.722 ( -1.308 0.000 -0.989) 1.640 7.754 ( 0.924 0.000 -0.334) 0.983 7.764 ( 0.154 0.000 -0.267) 0.308 7.817 ( -0.625 0.000 0.162) 0.646 7.824 ( -0.661 0.000 0.297) 0.724 7.901 ( -0.184 0.000 -0.476) 0.510 7.908 ( -0.848 0.000 0.615) 1.048 7.980 ( 1.840 0.000 0.104) 1.842 7.989 ( 2.033 0.000 -0.224) 2.045 8.014 ( 0.096 0.000 -1.634) 1.637 8.030 ( 2.357 0.000 1.682) 2.895 8.052 ( 0.235 0.000 0.996) 1.023 8.069 ( 0.621 0.000 -0.680) 0.921 8.094 ( 0.593 0.000 -0.057) 0.596 8.097 ( 0.319 0.000 0.058) 0.324 8.184 ( 1.111 0.000 -2.261) 2.519 8.191 ( 1.539 0.000 2.048) 2.562 8.377 ( 2.128 0.000 -0.255) 2.143 8.380 ( 2.557 0.000 0.256) 2.570 8.421 ( 1.569 0.000 0.364) 1.611 8.422 ( 1.427 0.000 -0.362) 1.472 10.212 ( 0.696 0.000 0.131) 0.708 10.239 ( 1.985 0.000 -0.094) 1.987 10.393 ( -0.383 0.000 -0.401) 0.555 10.395 ( 0.225 0.000 0.232) 0.324 10.429 ( 1.456 0.000 0.192) 1.468 10.433 ( 1.685 0.000 -0.069) 1.686 12.300 ( 0.628 0.000 0.326) 0.707 12.308 ( 0.827 0.000 -0.379) 0.909 12.387 ( -1.379 0.000 -0.285) 1.408 12.390 ( -1.141 0.000 0.317) 1.184 12.451 ( 0.330 0.000 0.380) 0.503 12.457 ( 0.478 0.000 -0.340) 0.587 14.615 ( -0.292 0.000 0.124) 0.318 14.618 ( -0.290 0.000 -0.126) 0.316 14.927 ( 0.390 0.000 0.578) 0.698 14.951 ( 0.669 0.000 -0.977) 1.184 15.006 ( 0.295 0.000 0.750) 0.806 15.020 ( 0.474 0.000 -0.319) 0.572 15.628 ( -1.004 0.000 -0.609) 1.175 15.643 ( 0.022 0.000 0.607) 0.608 15.699 ( -0.928 0.000 -1.571) 1.824 15.729 ( 1.892 0.000 1.373) 2.337 15.938 ( -1.774 0.000 -0.634) 1.884 15.963 ( -0.293 0.000 0.998) 1.041 16.050 ( -1.482 0.000 -0.651) 1.618 16.104 ( 1.242 0.000 0.829) 1.493 16.186 ( -0.809 0.000 0.754) 1.106 16.196 ( -1.243 0.000 -0.997) 1.593 16.253 ( -2.175 0.000 0.633) 2.265 16.297 ( -1.302 0.000 -0.882) 1.573 16.376 ( -1.840 0.000 0.635) 1.947 16.383 ( -0.541 0.000 -0.662) 0.855 16.415 ( -1.412 0.000 0.187) 1.425 16.450 ( 0.424 0.000 -0.537) 0.684 16.518 ( -2.099 0.000 0.034) 2.099 16.563 ( -1.747 0.000 0.528) 1.825 16.608 ( 2.970 0.000 0.131) 2.973 16.676 ( 3.605 0.000 -0.019) 3.605 16.886 ( -1.318 0.000 1.694) 2.146 16.913 ( 0.167 0.000 -1.959) 1.966 17.309 ( -4.824 0.000 0.235) 4.829 17.341 ( -3.295 0.000 -0.351) 3.314 ======================= Grid point 51 (22/39) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -1.588 0.000 1.724) 2.344 0.637 ( -0.562 0.000 0.048) 0.564 0.681 ( -1.530 0.000 3.852) 4.144 0.725 ( -4.394 0.000 -0.302) 4.405 0.754 ( -0.805 0.000 -1.995) 2.151 0.769 ( -1.859 0.000 -2.007) 2.736 0.818 ( -1.320 0.000 -0.811) 1.549 0.821 ( 0.036 0.000 1.183) 1.183 0.876 ( -5.429 0.000 2.595) 6.017 0.890 ( -3.227 0.000 -0.402) 3.252 0.918 ( 0.225 0.000 -2.231) 2.242 0.927 ( -2.043 0.000 -0.014) 2.043 0.933 ( -0.086 0.000 0.297) 0.309 0.957 ( -2.679 0.000 -0.887) 2.822 0.976 ( -1.239 0.000 -1.114) 1.666 0.989 ( -1.540 0.000 -2.126) 2.625 1.025 ( -1.813 0.000 1.343) 2.257 1.026 ( -1.889 0.000 -0.930) 2.105 1.096 ( -3.135 0.000 0.211) 3.142 1.104 ( -0.703 0.000 -1.119) 1.322 1.112 ( -0.325 0.000 -0.052) 0.329 1.135 ( -5.079 0.000 1.482) 5.291 1.161 ( -1.181 0.000 0.016) 1.181 1.182 ( -1.153 0.000 -0.829) 1.420 1.204 ( -1.424 0.000 -1.085) 1.790 1.225 ( -2.487 0.000 0.811) 2.616 1.227 ( -1.715 0.000 3.142) 3.579 1.282 ( -1.952 0.000 -0.698) 2.073 1.317 ( -1.444 0.000 -2.366) 2.772 1.323 ( 0.842 0.000 1.084) 1.373 1.343 ( 0.041 0.000 1.015) 1.016 1.354 ( 1.087 0.000 0.687) 1.286 1.412 ( -0.774 0.000 2.574) 2.688 1.422 ( -1.106 0.000 -1.415) 1.796 1.440 ( -6.754 0.000 -1.081) 6.840 1.468 ( -3.883 0.000 0.872) 3.979 1.484 ( -0.907 0.000 1.301) 1.586 1.505 ( -4.245 0.000 -0.114) 4.246 1.551 ( 0.561 0.000 0.495) 0.748 1.564 ( -9.048 0.000 -0.837) 9.087 1.612 ( -1.435 0.000 -1.059) 1.783 1.628 ( -1.096 0.000 0.057) 1.097 1.664 ( -1.815 0.000 3.254) 3.726 1.678 ( -3.653 0.000 1.129) 3.824 1.687 ( -0.369 0.000 -2.308) 2.337 1.719 ( -3.343 0.000 0.132) 3.346 1.770 ( 0.120 0.000 3.035) 3.038 1.778 ( 1.782 0.000 -0.645) 1.895 1.831 ( 1.043 0.000 -0.588) 1.197 1.833 ( 1.599 0.000 -0.429) 1.655 1.859 ( 0.532 0.000 0.392) 0.661 1.886 ( -1.530 0.000 -2.132) 2.624 1.904 ( 0.540 0.000 0.269) 0.603 1.925 ( -6.513 0.000 -1.542) 6.693 2.009 ( 0.576 0.000 -0.240) 0.624 2.043 ( -1.904 0.000 -2.910) 3.478 2.130 ( -1.498 0.000 -2.705) 3.092 2.147 ( -2.819 0.000 -0.184) 2.825 2.177 ( -0.589 0.000 0.515) 0.782 2.205 ( 3.606 0.000 1.592) 3.942 2.242 ( 0.155 0.000 1.145) 1.155 2.285 ( 0.171 0.000 -1.325) 1.336 2.303 ( -1.943 0.000 3.127) 3.681 2.303 ( 1.517 0.000 2.047) 2.547 2.334 ( -0.052 0.000 -1.396) 1.397 2.352 ( 3.624 0.000 -0.402) 3.646 2.439 ( -0.905 0.000 -0.821) 1.222 2.443 ( -1.174 0.000 -1.758) 2.114 2.542 ( 0.040 0.000 0.341) 0.344 2.570 ( -1.195 0.000 2.077) 2.396 2.772 ( 1.323 0.000 -0.599) 1.453 2.777 ( 0.610 0.000 0.311) 0.685 3.289 ( -2.208 0.000 -2.741) 3.520 3.318 ( -2.757 0.000 3.584) 4.521 3.334 ( -1.472 0.000 0.370) 1.518 3.401 ( 1.937 0.000 -0.949) 2.157 3.549 ( 1.000 0.000 4.428) 4.540 3.579 ( 3.194 0.000 -4.687) 5.671 3.676 ( 2.785 0.000 0.489) 2.827 3.696 ( 0.897 0.000 0.286) 0.941 3.717 ( -3.963 0.000 -1.181) 4.135 3.806 ( -2.593 0.000 1.983) 3.264 3.888 ( -7.975 0.000 1.659) 8.146 3.928 ( -5.019 0.000 -1.448) 5.223 3.989 ( 1.806 0.000 -3.460) 3.903 4.065 ( 1.551 0.000 -1.455) 2.127 4.072 ( -1.141 0.000 4.080) 4.237 4.100 ( 1.876 0.000 -0.143) 1.881 4.293 ( -3.060 0.000 -2.390) 3.882 4.341 ( -3.200 0.000 2.401) 4.001 4.399 ( 2.706 0.000 -5.287) 5.939 4.414 ( -1.711 0.000 3.467) 3.866 4.482 ( 1.359 0.000 -0.541) 1.462 4.485 ( 1.300 0.000 -1.042) 1.666 4.543 ( -0.174 0.000 -1.646) 1.655 4.615 ( -4.734 0.000 6.178) 7.783 4.645 ( 2.152 0.000 -4.130) 4.658 4.683 ( -2.184 0.000 0.957) 2.385 4.847 ( -4.566 0.000 1.155) 4.709 4.866 ( -1.249 0.000 0.391) 1.309 5.099 ( -3.706 0.000 0.161) 3.709 5.131 ( -1.623 0.000 1.287) 2.071 5.207 ( -5.411 0.000 2.741) 6.065 5.286 ( 0.661 0.000 -1.572) 1.705 5.390 ( -2.650 0.000 -3.852) 4.676 5.444 ( -1.764 0.000 -5.564) 5.837 5.513 ( 1.072 0.000 3.833) 3.980 5.597 ( -0.434 0.000 1.118) 1.199 5.655 ( 1.156 0.000 2.510) 2.763 5.721 ( -2.493 0.000 0.332) 2.515 5.782 ( 7.086 0.000 0.662) 7.117 5.831 ( 8.501 0.000 -1.890) 8.708 5.892 ( -1.220 0.000 -0.322) 1.261 5.925 ( -0.013 0.000 0.962) 0.963 6.002 ( 0.814 0.000 2.622) 2.745 6.005 ( 0.037 0.000 -2.976) 2.976 6.218 ( 1.332 0.000 -2.445) 2.785 6.252 ( 0.217 0.000 0.281) 0.354 6.271 ( 1.213 0.000 -0.008) 1.213 6.280 ( 1.255 0.000 0.667) 1.421 6.315 ( 0.956 0.000 2.394) 2.578 6.335 ( 0.574 0.000 -1.117) 1.256 6.445 ( -1.672 0.000 1.658) 2.355 6.449 ( -1.430 0.000 -2.019) 2.474 6.482 ( -0.771 0.000 0.623) 0.991 6.532 ( -1.230 0.000 -0.791) 1.462 6.599 ( -3.421 0.000 0.244) 3.429 6.665 ( -3.649 0.000 -0.514) 3.685 6.708 ( -5.376 0.000 0.759) 5.429 6.722 ( -4.467 0.000 -0.522) 4.497 6.824 ( 0.341 0.000 0.866) 0.931 6.825 ( 0.199 0.000 -0.335) 0.389 6.849 ( -0.044 0.000 -0.005) 0.044 6.877 ( -0.213 0.000 0.290) 0.360 6.907 ( 0.064 0.000 -0.233) 0.242 6.925 ( 1.374 0.000 0.278) 1.402 7.067 ( 1.518 0.000 -0.730) 1.684 7.102 ( 2.956 0.000 0.303) 2.972 7.122 ( 1.577 0.000 0.477) 1.647 7.128 ( 2.705 0.000 -0.280) 2.719 7.190 ( 1.315 0.000 -0.492) 1.404 7.207 ( 0.098 0.000 0.183) 0.208 7.255 ( -0.834 0.000 0.031) 0.834 7.256 ( -1.319 0.000 0.042) 1.320 7.325 ( -0.052 0.000 0.081) 0.096 7.361 ( -0.673 0.000 -0.769) 1.022 7.410 ( -0.769 0.000 1.416) 1.611 7.430 ( -1.043 0.000 -1.430) 1.770 7.460 ( -0.865 0.000 0.415) 0.960 7.460 ( -1.764 0.000 0.321) 1.793 7.612 ( 1.171 0.000 0.968) 1.520 7.612 ( 1.307 0.000 -0.785) 1.524 7.675 ( -2.095 0.000 0.591) 2.177 7.689 ( -1.883 0.000 -0.795) 2.043 7.770 ( 0.182 0.000 0.290) 0.342 7.773 ( 0.623 0.000 -0.522) 0.813 7.803 ( -0.477 0.000 -0.271) 0.549 7.818 ( 0.115 0.000 0.400) 0.416 7.896 ( -0.509 0.000 1.216) 1.318 7.900 ( 0.044 0.000 -0.657) 0.659 8.017 ( 1.775 0.000 0.295) 1.799 8.024 ( 1.757 0.000 -0.819) 1.938 8.029 ( 1.400 0.000 -0.119) 1.405 8.049 ( -0.735 0.000 1.185) 1.394 8.074 ( -0.195 0.000 -1.171) 1.187 8.082 ( 2.265 0.000 1.349) 2.636 8.108 ( 1.328 0.000 -0.719) 1.510 8.112 ( 1.188 0.000 -0.219) 1.208 8.209 ( 1.483 0.000 -2.576) 2.972 8.217 ( 0.919 0.000 2.827) 2.973 8.429 ( 2.953 0.000 -0.159) 2.957 8.439 ( 3.018 0.000 0.245) 3.028 8.459 ( 2.238 0.000 -0.422) 2.278 8.460 ( 2.151 0.000 0.381) 2.184 10.240 ( 1.979 0.000 0.690) 2.096 10.281 ( 2.216 0.000 -0.935) 2.405 10.395 ( 0.538 0.000 0.042) 0.539 10.405 ( 0.624 0.000 0.303) 0.694 10.456 ( 1.107 0.000 0.677) 1.298 10.462 ( 1.301 0.000 -0.778) 1.516 12.314 ( 0.546 0.000 0.603) 0.814 12.323 ( 0.406 0.000 -0.690) 0.800 12.360 ( -1.055 0.000 -0.538) 1.185 12.369 ( -0.602 0.000 0.529) 0.801 12.466 ( 1.260 0.000 1.366) 1.859 12.467 ( 0.637 0.000 -1.046) 1.225 14.606 ( -0.679 0.000 0.087) 0.684 14.608 ( -0.721 0.000 -0.079) 0.725 14.941 ( 0.878 0.000 0.361) 0.949 14.965 ( 0.771 0.000 -0.768) 1.088 15.015 ( 0.447 0.000 0.673) 0.808 15.029 ( 0.428 0.000 -0.264) 0.503 15.611 ( -0.639 0.000 -0.177) 0.663 15.637 ( -0.556 0.000 0.173) 0.582 15.674 ( -1.552 0.000 -1.684) 2.290 15.778 ( 2.940 0.000 1.507) 3.303 15.902 ( -1.674 0.000 -0.361) 1.713 15.949 ( -1.279 0.000 1.063) 1.664 16.020 ( -1.462 0.000 -0.457) 1.532 16.115 ( -1.008 0.000 -0.282) 1.047 16.163 ( -1.538 0.000 0.221) 1.554 16.167 ( -1.233 0.000 0.258) 1.260 16.198 ( -3.015 0.000 1.202) 3.246 16.247 ( -3.589 0.000 -1.743) 3.990 16.331 ( -2.739 0.000 1.477) 3.112 16.347 ( -3.190 0.000 -1.119) 3.380 16.418 ( 2.009 0.000 0.379) 2.044 16.455 ( -0.053 0.000 -0.348) 0.352 16.485 ( -1.204 0.000 0.594) 1.343 16.534 ( -1.220 0.000 -0.189) 1.235 16.682 ( 4.651 0.000 -0.271) 4.659 16.749 ( 3.602 0.000 -0.773) 3.684 16.845 ( -3.460 0.000 3.843) 5.171 16.917 ( 0.406 0.000 -3.707) 3.729 17.187 ( -7.205 0.000 0.042) 7.205 17.248 ( -5.960 0.000 -0.946) 6.035 ======================= Grid point 52 (23/39) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -11.089 0.000 8.743) 14.121 0.482 ( -14.720 0.000 8.609) 17.052 0.596 ( -3.869 0.000 -6.318) 7.409 0.672 ( -6.970 0.000 -6.561) 9.572 0.719 ( -2.414 0.000 0.042) 2.415 0.723 ( -1.173 0.000 0.613) 1.323 0.764 ( -1.404 0.000 -0.375) 1.453 0.795 ( -4.714 0.000 6.104) 7.712 0.824 ( -4.637 0.000 0.615) 4.678 0.827 ( -0.022 0.000 0.816) 0.817 0.900 ( -2.170 0.000 0.256) 2.185 0.929 ( -0.543 0.000 -0.449) 0.705 0.931 ( -0.016 0.000 0.739) 0.739 0.942 ( 0.078 0.000 0.726) 0.731 0.956 ( 0.102 0.000 -0.803) 0.809 0.966 ( 0.135 0.000 -3.678) 3.681 0.983 ( -2.756 0.000 1.915) 3.356 1.011 ( -1.474 0.000 1.458) 2.073 1.025 ( -1.383 0.000 0.416) 1.444 1.038 ( -0.206 0.000 -1.338) 1.354 1.098 ( -0.637 0.000 -0.780) 1.007 1.113 ( -0.021 0.000 -1.559) 1.559 1.124 ( -3.486 0.000 -0.569) 3.532 1.127 ( -4.471 0.000 -0.361) 4.485 1.140 ( -3.265 0.000 -0.602) 3.320 1.169 ( -4.570 0.000 3.085) 5.514 1.198 ( 0.853 0.000 -1.568) 1.785 1.229 ( -2.429 0.000 0.629) 2.509 1.266 ( -1.172 0.000 1.627) 2.005 1.289 ( -1.221 0.000 -1.539) 1.964 1.333 ( -1.072 0.000 -0.448) 1.162 1.350 ( -1.653 0.000 2.896) 3.334 1.360 ( -0.081 0.000 1.175) 1.178 1.387 ( -1.089 0.000 0.253) 1.118 1.428 ( 0.614 0.000 -0.358) 0.711 1.434 ( -0.403 0.000 -2.038) 2.077 1.463 ( -3.100 0.000 4.543) 5.500 1.465 ( 1.680 0.000 2.285) 2.836 1.516 ( 0.555 0.000 -0.720) 0.909 1.559 ( -2.513 0.000 -1.985) 3.202 1.582 ( 2.314 0.000 -3.212) 3.958 1.582 ( -3.475 0.000 -1.665) 3.853 1.609 ( -3.009 0.000 -0.069) 3.010 1.630 ( -1.237 0.000 2.497) 2.787 1.632 ( -4.089 0.000 -1.218) 4.266 1.688 ( 0.579 0.000 -1.881) 1.968 1.745 ( -3.247 0.000 1.114) 3.432 1.781 ( -3.074 0.000 -2.029) 3.683 1.782 ( -1.568 0.000 -1.593) 2.235 1.820 ( -0.375 0.000 -1.732) 1.773 1.862 ( 0.486 0.000 -0.684) 0.839 1.866 ( -1.492 0.000 0.290) 1.520 1.914 ( 3.189 0.000 0.125) 3.191 1.925 ( 1.658 0.000 -1.218) 2.057 1.999 ( -0.772 0.000 0.333) 0.841 2.013 ( -0.403 0.000 -1.162) 1.230 2.106 ( -0.221 0.000 -3.404) 3.411 2.121 ( -0.001 0.000 0.447) 0.447 2.159 ( -2.198 0.000 2.806) 3.564 2.197 ( -0.903 0.000 2.994) 3.127 2.237 ( 0.960 0.000 -1.332) 1.641 2.259 ( -2.065 0.000 -0.400) 2.103 2.329 ( 0.486 0.000 -1.075) 1.179 2.337 ( 0.229 0.000 1.797) 1.811 2.407 ( 4.907 0.000 2.513) 5.513 2.419 ( 2.131 0.000 -1.218) 2.454 2.434 ( 1.673 0.000 -1.928) 2.552 2.450 ( 1.883 0.000 1.032) 2.148 2.541 ( -2.045 0.000 1.022) 2.286 2.580 ( 2.064 0.000 -0.009) 2.064 2.787 ( 0.368 0.000 0.132) 0.391 2.792 ( 0.575 0.000 -0.634) 0.856 3.265 ( 0.568 0.000 -2.858) 2.914 3.271 ( -2.743 0.000 4.174) 4.995 3.328 ( 1.060 0.000 1.374) 1.736 3.448 ( 2.965 0.000 -0.236) 2.974 3.543 ( -2.026 0.000 3.831) 4.334 3.576 ( -3.395 0.000 -4.898) 5.960 3.685 ( 0.353 0.000 -0.929) 0.994 3.699 ( -1.432 0.000 0.584) 1.547 3.719 ( -0.786 0.000 -2.428) 2.552 3.762 ( -2.967 0.000 0.646) 3.037 3.810 ( 3.998 0.000 3.663) 5.423 3.873 ( 2.250 0.000 -0.523) 2.311 4.029 ( 2.148 0.000 -3.371) 3.997 4.079 ( 0.666 0.000 4.418) 4.468 4.134 ( 1.269 0.000 0.226) 1.289 4.154 ( 5.455 0.000 -2.384) 5.953 4.211 ( -4.853 0.000 -1.771) 5.166 4.265 ( -3.478 0.000 1.079) 3.641 4.328 ( -6.400 0.000 2.959) 7.050 4.401 ( -2.737 0.000 -2.820) 3.930 4.510 ( 0.805 0.000 -1.056) 1.328 4.524 ( 1.453 0.000 2.161) 2.604 4.542 ( -0.653 0.000 0.610) 0.894 4.553 ( 1.070 0.000 -1.289) 1.676 4.649 ( -0.798 0.000 1.709) 1.886 4.689 ( 1.432 0.000 -2.185) 2.612 4.781 ( -1.232 0.000 1.428) 1.886 4.842 ( -1.348 0.000 -0.167) 1.359 4.975 ( -7.975 0.000 0.936) 8.029 5.025 ( -8.718 0.000 -1.031) 8.779 5.150 ( -0.859 0.000 4.336) 4.420 5.278 ( -1.263 0.000 -10.003) 10.082 5.404 ( 3.680 0.000 6.052) 7.083 5.429 ( 1.320 0.000 -4.017) 4.228 5.548 ( 2.066 0.000 1.887) 2.798 5.571 ( -1.376 0.000 1.271) 1.873 5.650 ( -4.603 0.000 -0.908) 4.692 5.672 ( -0.825 0.000 1.546) 1.752 5.862 ( 1.044 0.000 0.695) 1.254 5.874 ( -0.206 0.000 -0.344) 0.401 5.929 ( -0.466 0.000 1.335) 1.413 5.962 ( 1.688 0.000 -1.187) 2.064 6.041 ( 5.168 0.000 1.944) 5.522 6.051 ( 5.673 0.000 -2.395) 6.158 6.236 ( 1.247 0.000 -1.670) 2.084 6.242 ( 0.055 0.000 -1.774) 1.775 6.301 ( 0.718 0.000 0.517) 0.885 6.320 ( 2.385 0.000 0.960) 2.570 6.331 ( 0.123 0.000 1.324) 1.330 6.352 ( 1.625 0.000 -0.321) 1.657 6.414 ( -1.856 0.000 2.370) 3.011 6.427 ( -0.688 0.000 -2.352) 2.450 6.469 ( -0.849 0.000 0.042) 0.850 6.509 ( -0.598 0.000 -0.311) 0.674 6.531 ( -2.451 0.000 -0.832) 2.588 6.563 ( -6.323 0.000 1.307) 6.457 6.606 ( -4.603 0.000 -0.385) 4.619 6.623 ( -5.291 0.000 0.330) 5.302 6.843 ( 1.041 0.000 0.433) 1.128 6.845 ( 1.098 0.000 -0.182) 1.113 6.869 ( 1.644 0.000 -0.486) 1.714 6.884 ( 1.199 0.000 0.732) 1.405 6.911 ( -0.001 0.000 -0.098) 0.098 6.944 ( 0.458 0.000 0.292) 0.543 7.092 ( 1.394 0.000 0.024) 1.394 7.135 ( 0.972 0.000 -0.244) 1.002 7.150 ( 1.082 0.000 0.918) 1.419 7.188 ( 0.767 0.000 -0.898) 1.181 7.222 ( 1.506 0.000 -1.019) 1.818 7.223 ( 3.281 0.000 1.410) 3.571 7.246 ( 0.215 0.000 -0.633) 0.668 7.251 ( 0.460 0.000 0.812) 0.933 7.319 ( -0.613 0.000 0.160) 0.634 7.348 ( -0.353 0.000 -0.849) 0.919 7.392 ( -1.132 0.000 0.519) 1.245 7.405 ( -1.113 0.000 -0.923) 1.446 7.418 ( -2.348 0.000 0.355) 2.375 7.442 ( -0.970 0.000 0.291) 1.012 7.633 ( -0.790 0.000 -0.676) 1.040 7.633 ( 0.662 0.000 0.545) 0.858 7.639 ( 0.061 0.000 0.492) 0.496 7.654 ( -1.369 0.000 -0.521) 1.465 7.765 ( -0.582 0.000 0.678) 0.894 7.768 ( -0.552 0.000 -0.955) 1.103 7.805 ( 0.337 0.000 0.493) 0.598 7.826 ( 0.522 0.000 -0.326) 0.616 7.889 ( -0.411 0.000 1.256) 1.322 7.900 ( 0.085 0.000 -0.684) 0.689 8.029 ( -0.956 0.000 1.479) 1.761 8.049 ( 1.173 0.000 -0.214) 1.193 8.050 ( 0.399 0.000 -1.050) 1.123 8.060 ( 0.729 0.000 0.060) 0.731 8.084 ( 3.245 0.000 0.591) 3.298 8.110 ( 0.984 0.000 -0.353) 1.046 8.132 ( 0.810 0.000 0.045) 0.811 8.152 ( 2.427 0.000 -0.315) 2.448 8.231 ( 1.028 0.000 -2.001) 2.250 8.232 ( 0.256 0.000 2.711) 2.724 8.480 ( 2.022 0.000 -0.068) 2.024 8.486 ( 1.738 0.000 0.038) 1.739 8.497 ( 1.468 0.000 0.373) 1.515 8.499 ( 1.700 0.000 -0.149) 1.706 10.282 ( 1.976 0.000 0.988) 2.209 10.317 ( 1.496 0.000 -1.442) 2.077 10.410 ( 0.860 0.000 0.066) 0.863 10.414 ( 0.089 0.000 0.559) 0.566 10.470 ( 0.166 0.000 1.049) 1.062 10.481 ( 0.798 0.000 -1.178) 1.423 12.312 ( -0.642 0.000 0.460) 0.790 12.316 ( -0.590 0.000 -0.440) 0.736 12.360 ( 0.975 0.000 -0.323) 1.027 12.375 ( 0.692 0.000 0.116) 0.702 12.480 ( 1.005 0.000 -1.750) 2.018 12.510 ( 3.040 0.000 2.210) 3.758 14.592 ( -0.648 0.000 0.034) 0.649 14.592 ( -0.708 0.000 -0.021) 0.709 14.960 ( 0.927 0.000 0.253) 0.961 14.977 ( 0.533 0.000 -0.582) 0.790 15.022 ( 0.248 0.000 0.599) 0.649 15.034 ( 0.070 0.000 -0.247) 0.256 15.603 ( -0.198 0.000 0.180) 0.267 15.625 ( -0.641 0.000 -0.215) 0.676 15.641 ( -0.859 0.000 1.458) 1.692 15.840 ( 2.667 0.000 1.040) 2.863 15.883 ( -0.044 0.000 0.333) 0.336 15.917 ( -1.916 0.000 0.229) 1.929 15.998 ( -0.685 0.000 0.583) 0.900 16.054 ( -3.830 0.000 -1.133) 3.994 16.132 ( -1.497 0.000 -0.533) 1.589 16.144 ( -1.359 0.000 0.039) 1.360 16.164 ( -4.400 0.000 -2.678) 5.151 16.171 ( -0.695 0.000 3.479) 3.548 16.272 ( -4.273 0.000 -0.302) 4.283 16.278 ( -2.738 0.000 1.209) 2.993 16.437 ( -1.607 0.000 -0.306) 1.636 16.463 ( -0.083 0.000 0.742) 0.746 16.479 ( 1.741 0.000 1.316) 2.183 16.521 ( -0.043 0.000 -1.117) 1.117 16.724 ( -6.152 0.000 -0.158) 6.154 16.782 ( 5.164 0.000 -1.400) 5.350 16.828 ( 2.241 0.000 1.591) 2.749 16.898 ( -3.052 0.000 -6.336) 7.032 17.065 ( -4.453 0.000 -0.050) 4.453 17.115 ( -7.146 0.000 -1.618) 7.327 ======================= Grid point 53 (24/39) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -4.392 9.560 6.501) 12.367 0.444 ( 5.154 10.532 6.899) 13.604 0.565 ( 1.986 3.422 -5.558) 6.823 0.613 ( -3.183 5.845 -6.880) 9.572 0.703 ( 0.261 0.000 2.306) 2.321 0.728 ( -0.298 0.556 2.281) 2.366 0.751 ( -1.449 -0.576 -0.676) 1.700 0.777 ( 1.260 0.159 -2.081) 2.438 0.812 ( -3.699 6.651 5.185) 9.209 0.849 ( 1.169 -1.170 0.033) 1.654 0.886 ( -0.368 -0.605 4.096) 4.156 0.907 ( -0.517 -1.344 0.980) 1.741 0.931 ( -1.491 -1.648 -0.645) 2.314 0.937 ( -0.365 0.301 -0.333) 0.579 0.950 ( 0.214 1.153 1.966) 2.289 0.973 ( 1.142 0.391 0.147) 1.216 0.989 ( 2.208 1.247 0.696) 2.629 1.023 ( 0.156 0.069 -1.792) 1.800 1.041 ( 0.152 3.450 2.289) 4.143 1.080 ( -0.609 0.337 0.902) 1.140 1.085 ( 1.770 2.966 2.277) 4.137 1.103 ( 1.214 0.942 -0.028) 1.537 1.113 ( -0.442 1.255 0.184) 1.344 1.125 ( -0.275 1.230 -0.994) 1.605 1.142 ( -0.684 1.419 -0.334) 1.610 1.171 ( 0.148 2.309 -0.118) 2.317 1.191 ( -1.536 -1.408 -2.148) 2.993 1.210 ( 0.005 -1.286 -1.214) 1.768 1.243 ( 1.521 2.087 -2.107) 3.333 1.248 ( -1.256 -1.941 -2.116) 3.134 1.322 ( -0.983 0.290 0.096) 1.029 1.326 ( 0.704 0.498 -0.389) 0.946 1.370 ( -1.885 -1.867 1.064) 2.859 1.375 ( -0.325 -1.497 1.461) 2.117 1.383 ( 1.698 -0.885 -0.028) 1.915 1.389 ( 0.433 -2.173 -0.004) 2.216 1.437 ( 0.404 0.101 5.404) 5.420 1.463 ( -0.911 -0.438 1.186) 1.558 1.482 ( -0.184 -1.789 3.008) 3.505 1.527 ( -0.548 -0.133 -0.856) 1.025 1.556 ( 1.414 0.478 -1.023) 1.810 1.583 ( 0.580 -0.884 1.344) 1.710 1.623 ( 1.648 1.826 -5.164) 5.720 1.635 ( -0.184 -1.542 -2.975) 3.356 1.640 ( -1.092 1.465 0.165) 1.834 1.686 ( -0.805 -1.308 -1.269) 1.993 1.697 ( 0.907 -0.211 -4.451) 4.547 1.716 ( 1.138 0.615 -0.797) 1.519 1.803 ( 0.608 0.315 -1.381) 1.541 1.811 ( -1.133 1.616 -2.001) 2.810 1.860 ( 0.540 1.261 1.781) 2.248 1.887 ( -0.196 1.124 -1.256) 1.697 1.916 ( 0.003 -1.410 0.538) 1.510 1.936 ( -0.146 -1.031 -1.487) 1.815 1.972 ( 0.065 -1.079 0.027) 1.081 1.987 ( 0.636 -0.964 -1.041) 1.555 2.071 ( -3.113 -0.436 2.019) 3.736 2.102 ( 1.640 -2.094 -1.146) 2.897 2.106 ( -0.829 -3.656 2.654) 4.593 2.145 ( 0.649 -3.068 -1.523) 3.486 2.301 ( -1.667 2.874 0.327) 3.338 2.311 ( 1.513 2.314 -0.427) 2.797 2.344 ( 0.150 2.826 0.430) 2.862 2.352 ( -0.175 2.710 -0.282) 2.730 2.432 ( 1.042 2.169 1.938) 3.089 2.468 ( -1.149 0.941 -1.337) 1.998 2.494 ( -0.300 1.440 2.419) 2.831 2.523 ( 1.720 1.796 -0.119) 2.490 2.568 ( 0.127 1.802 0.261) 1.825 2.579 ( -1.130 0.019 -0.985) 1.499 2.727 ( -0.569 -5.378 0.416) 5.424 2.732 ( 0.327 -5.389 -0.116) 5.400 3.264 ( -1.870 1.659 -0.320) 2.520 3.288 ( 2.008 -0.829 -2.368) 3.213 3.376 ( -0.566 -1.974 2.180) 2.995 3.411 ( 1.445 -2.766 -1.421) 3.429 3.525 ( 1.260 1.266 2.177) 2.816 3.552 ( -1.953 0.306 -0.990) 2.211 3.640 ( -0.333 -0.390 0.765) 0.921 3.663 ( 0.445 0.430 -1.552) 1.671 3.725 ( -0.674 -0.278 0.279) 0.780 3.749 ( 0.586 -1.001 -1.774) 2.120 3.891 ( 0.998 1.169 3.496) 3.819 3.927 ( -0.104 -0.693 -0.554) 0.893 4.017 ( 1.662 -2.462 0.149) 2.974 4.026 ( -2.768 -1.952 -0.685) 3.456 4.104 ( -1.216 -3.346 1.814) 3.995 4.154 ( 1.726 -2.809 -2.985) 4.448 4.207 ( 0.739 0.769 1.675) 1.986 4.236 ( -0.557 1.238 -1.033) 1.706 4.279 ( -0.092 -0.775 0.756) 1.087 4.297 ( -0.234 -1.064 -1.026) 1.496 4.560 ( 0.640 3.169 1.292) 3.481 4.571 ( -0.220 2.816 0.329) 2.844 4.595 ( 0.985 2.448 0.229) 2.648 4.607 ( -1.124 3.132 -1.074) 3.497 4.690 ( -0.491 0.583 0.206) 0.789 4.694 ( 0.763 0.643 -0.091) 1.002 4.803 ( 0.019 -2.280 0.221) 2.291 4.807 ( 0.280 -2.628 -0.226) 2.653 4.945 ( -0.068 9.056 0.497) 9.070 4.954 ( 0.032 7.869 -0.410) 7.880 5.169 ( -0.885 2.764 2.991) 4.168 5.250 ( -1.820 0.639 -5.883) 6.192 5.410 ( 1.112 -6.324 2.179) 6.781 5.440 ( 0.737 -7.588 -1.356) 7.743 5.503 ( 1.556 -1.594 0.650) 2.320 5.514 ( 0.252 -1.835 -0.155) 1.859 5.617 ( -0.166 0.911 1.531) 1.790 5.653 ( -1.495 0.799 -1.370) 2.180 5.832 ( 0.238 -2.649 1.836) 3.232 5.855 ( 0.042 -1.489 0.068) 1.491 5.910 ( 0.722 -1.716 0.862) 2.052 5.922 ( -0.786 -1.944 -0.408) 2.136 6.123 ( -0.786 1.652 0.597) 1.925 6.145 ( 0.639 1.392 -1.611) 2.223 6.246 ( 0.262 -1.313 -0.875) 1.600 6.251 ( -0.340 -1.897 -1.309) 2.330 6.289 ( -1.722 0.440 0.777) 1.940 6.302 ( 2.346 0.163 -0.719) 2.459 6.359 ( -1.127 -0.868 1.706) 2.222 6.378 ( 0.180 -0.683 -0.230) 0.742 6.391 ( -0.334 -0.760 1.118) 1.393 6.414 ( 0.460 -0.549 -1.058) 1.278 6.429 ( -0.454 -1.638 1.075) 2.011 6.451 ( 0.738 -1.695 -1.317) 2.270 6.520 ( -0.047 2.584 0.544) 2.641 6.529 ( 0.201 2.325 -0.342) 2.358 6.592 ( -0.487 1.700 0.604) 1.869 6.605 ( 0.434 1.642 -0.755) 1.858 6.859 ( -0.107 0.507 0.488) 0.712 6.865 ( 0.125 0.811 -0.218) 0.849 6.886 ( -0.498 -0.668 0.531) 0.988 6.894 ( 0.461 -0.345 -0.436) 0.723 6.923 ( 0.980 0.021 0.422) 1.067 6.931 ( -0.867 -0.297 -0.391) 0.997 7.096 ( 0.811 -1.615 0.498) 1.874 7.105 ( -0.755 -2.027 -0.239) 2.176 7.167 ( -0.018 -0.445 0.049) 0.448 7.172 ( 0.307 -0.561 -0.542) 0.838 7.206 ( -0.559 -1.113 0.417) 1.313 7.213 ( 0.306 -1.019 -0.172) 1.078 7.309 ( -1.488 1.589 0.167) 2.183 7.315 ( 1.332 1.630 -0.383) 2.139 7.333 ( 0.479 0.724 0.997) 1.322 7.351 ( -0.719 0.269 -1.061) 1.309 7.387 ( 1.263 1.158 0.782) 1.884 7.400 ( -0.909 0.796 -0.488) 1.303 7.413 ( -0.825 1.386 0.559) 1.707 7.417 ( 0.466 1.715 -0.040) 1.778 7.608 ( -0.127 -2.033 0.296) 2.058 7.613 ( 0.235 -2.161 -0.254) 2.188 7.645 ( -0.248 1.384 0.737) 1.588 7.663 ( 0.265 1.348 -1.250) 1.857 7.757 ( -0.157 -0.051 0.459) 0.488 7.769 ( 0.152 -0.386 -0.859) 0.954 7.836 ( 0.308 1.315 1.517) 2.031 7.860 ( -0.503 1.432 -1.108) 1.879 7.892 ( 0.232 0.714 0.520) 0.914 7.894 ( -0.225 1.990 0.206) 2.013 8.032 ( -0.101 1.001 1.149) 1.527 8.035 ( -0.683 -2.281 1.382) 2.753 8.045 ( 0.219 -2.337 0.157) 2.352 8.060 ( 0.629 0.607 -1.566) 1.793 8.084 ( -0.242 -0.584 1.919) 2.020 8.132 ( -0.445 -1.606 -2.471) 2.980 8.154 ( 0.365 0.898 0.973) 1.374 8.172 ( -0.277 0.335 -0.780) 0.893 8.218 ( -0.897 0.002 0.774) 1.184 8.233 ( 0.981 -0.982 -0.666) 1.539 8.495 ( -0.350 -0.490 -0.005) 0.602 8.496 ( 0.318 -0.458 -0.091) 0.565 8.522 ( 0.109 0.387 0.174) 0.438 8.526 ( -0.119 0.208 -0.301) 0.384 10.311 ( 0.032 0.481 0.764) 0.903 10.328 ( -0.109 -0.100 -1.098) 1.108 10.417 ( 0.059 0.320 0.614) 0.695 10.427 ( 0.425 0.220 -0.495) 0.688 10.457 ( -0.430 -0.666 1.166) 1.410 10.479 ( 0.104 -0.998 -1.045) 1.449 12.318 ( -0.045 0.583 -0.061) 0.588 12.325 ( 0.463 0.642 -0.881) 1.184 12.382 ( -0.131 0.383 0.453) 0.607 12.392 ( 0.239 0.648 -0.717) 0.996 12.472 ( -2.460 -1.413 1.613) 3.263 12.491 ( 1.251 -1.412 -0.618) 1.985 14.585 ( -0.029 0.016 -0.006) 0.034 14.585 ( 0.036 0.015 -0.001) 0.039 14.979 ( 0.054 0.607 0.318) 0.687 14.987 ( -0.052 0.562 -0.568) 0.801 15.020 ( 0.039 -0.523 0.526) 0.743 15.027 ( -0.044 -0.608 -0.300) 0.679 15.613 ( 0.535 0.681 0.893) 1.244 15.630 ( -0.404 1.296 -0.744) 1.548 15.686 ( 4.805 -3.769 5.630) 8.306 15.770 ( -3.495 -5.260 -3.501) 7.221 15.882 ( 0.794 0.326 0.043) 0.860 15.886 ( -0.759 0.170 -0.406) 0.877 16.001 ( 0.227 0.768 0.795) 1.128 16.015 ( -0.230 0.046 -0.739) 0.775 16.109 ( 0.571 0.862 0.473) 1.137 16.120 ( -0.581 0.861 -0.702) 1.254 16.148 ( 0.373 0.811 0.565) 1.056 16.158 ( -0.172 0.603 -0.531) 0.822 16.245 ( -0.736 1.383 0.260) 1.588 16.249 ( 0.772 1.909 -0.219) 2.071 16.388 ( 0.025 -3.259 0.882) 3.376 16.401 ( -0.090 -3.097 -0.455) 3.132 16.624 ( -2.520 4.551 0.791) 5.262 16.639 ( 3.390 2.225 -0.500) 4.085 16.722 ( 3.041 3.219 2.448) 5.060 16.814 ( -3.174 5.089 -7.259) 9.416 16.852 ( -1.545 0.830 0.227) 1.768 16.885 ( 1.197 0.778 -2.183) 2.608 17.022 ( 0.519 -0.106 0.160) 0.554 17.025 ( -0.452 -0.274 -0.142) 0.547 ======================= Grid point 54 (25/39) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 7.491 4.603 4.535) 9.893 0.557 ( 3.785 6.518 7.608) 10.709 0.617 ( 5.156 2.271 -2.677) 6.238 0.630 ( 3.133 1.510 -1.801) 3.917 0.709 ( -1.154 -1.847 1.475) 2.630 0.741 ( 2.065 -0.761 -1.796) 2.841 0.756 ( 2.720 -0.940 0.116) 2.880 0.801 ( 0.256 -1.684 1.106) 2.031 0.816 ( 1.079 0.205 -2.395) 2.635 0.870 ( -0.564 -2.416 1.067) 2.701 0.875 ( -1.413 1.899 0.990) 2.566 0.900 ( 1.368 -2.828 0.214) 3.148 0.907 ( 0.621 0.574 1.027) 1.331 0.943 ( 1.117 0.411 -1.263) 1.735 0.946 ( -0.280 -0.876 0.637) 1.119 0.986 ( 0.063 0.277 0.047) 0.287 0.994 ( -0.130 1.579 0.452) 1.648 1.031 ( 0.831 0.797 -0.669) 1.332 1.050 ( 1.001 -0.429 0.790) 1.345 1.092 ( -0.130 1.046 -0.677) 1.252 1.096 ( -0.530 1.623 0.120) 1.712 1.119 ( 1.262 2.421 0.470) 2.770 1.133 ( 1.116 1.895 -0.439) 2.243 1.158 ( 2.785 1.032 -0.050) 2.971 1.172 ( 3.976 2.249 1.284) 4.745 1.182 ( 1.479 -0.161 0.442) 1.553 1.216 ( 2.551 -0.585 2.006) 3.298 1.238 ( 1.429 0.482 -0.841) 1.727 1.269 ( 6.443 1.069 -1.594) 6.723 1.298 ( 0.449 0.955 0.329) 1.105 1.310 ( 1.728 2.776 0.062) 3.270 1.347 ( 0.916 -0.427 -0.090) 1.014 1.372 ( 1.467 -1.015 1.563) 2.372 1.395 ( 1.679 -0.105 0.650) 1.803 1.409 ( 0.634 -0.865 -0.218) 1.094 1.437 ( 0.514 2.255 0.199) 2.322 1.448 ( 5.364 -2.743 1.587) 6.231 1.509 ( 4.630 0.731 1.888) 5.053 1.514 ( -0.949 0.958 -1.447) 1.978 1.524 ( 3.518 -1.406 0.676) 3.848 1.563 ( -0.496 -0.119 -0.481) 0.702 1.599 ( 0.776 -1.186 -0.374) 1.465 1.616 ( 1.011 1.685 0.401) 2.005 1.636 ( 0.491 -1.096 -0.269) 1.231 1.657 ( 1.951 -0.327 -1.628) 2.562 1.707 ( 2.677 -0.978 0.719) 2.939 1.720 ( 0.234 -0.730 -2.050) 2.188 1.743 ( 3.239 0.776 -6.238) 7.072 1.799 ( -0.070 0.542 1.473) 1.571 1.819 ( 1.410 -0.958 -3.135) 3.568 1.863 ( -0.552 0.779 0.778) 1.231 1.885 ( -0.383 0.666 -1.200) 1.425 1.899 ( -0.242 0.662 0.755) 1.033 1.918 ( -1.634 -0.530 -1.053) 2.015 1.975 ( 1.702 -1.609 -1.175) 2.621 2.027 ( 2.677 0.316 -1.243) 2.969 2.051 ( 1.276 1.148 2.081) 2.698 2.112 ( 1.351 -1.723 1.413) 2.606 2.150 ( 2.126 -4.107 -0.226) 4.630 2.167 ( 1.366 -2.507 0.205) 2.862 2.265 ( -1.675 2.112 0.467) 2.736 2.304 ( -2.353 0.739 0.087) 2.468 2.330 ( -0.969 4.438 -0.634) 4.586 2.359 ( 0.833 2.718 0.338) 2.863 2.408 ( -3.807 1.602 1.457) 4.380 2.451 ( -1.980 1.691 -1.347) 2.932 2.469 ( -0.183 3.544 1.479) 3.845 2.497 ( -3.633 -0.700 -1.996) 4.203 2.559 ( -0.695 1.262 0.665) 1.587 2.566 ( -0.612 0.739 1.343) 1.650 2.708 ( -1.317 -6.320 0.071) 6.457 2.733 ( -0.235 -5.319 0.066) 5.324 3.232 ( -0.277 1.083 0.355) 1.173 3.324 ( 0.592 -1.216 -1.368) 1.924 3.346 ( 0.148 -1.716 -0.882) 1.935 3.405 ( -3.082 -3.405 0.820) 4.665 3.493 ( -0.662 0.772 0.234) 1.044 3.551 ( -1.331 -1.952 0.809) 2.497 3.659 ( 1.562 -1.566 -0.298) 2.232 3.700 ( 1.423 -1.186 0.880) 2.051 3.752 ( 4.160 3.517 -1.500) 5.650 3.792 ( 3.938 1.201 -0.762) 4.187 3.857 ( -2.092 1.278 -0.149) 2.456 3.883 ( -2.479 0.710 0.342) 2.602 3.961 ( -2.208 -1.123 1.330) 2.812 4.055 ( -1.408 -5.028 0.178) 5.225 4.089 ( 1.158 -1.150 0.526) 1.715 4.182 ( 2.287 0.211 -0.855) 2.450 4.222 ( -0.420 1.756 -2.845) 3.369 4.235 ( 0.476 -4.730 3.151) 5.703 4.344 ( 4.872 3.696 -0.153) 6.118 4.382 ( 7.072 1.376 -0.355) 7.213 4.524 ( -2.295 0.816 0.203) 2.445 4.555 ( -3.349 1.501 -1.112) 3.835 4.577 ( -1.021 1.843 -0.390) 2.143 4.611 ( 1.265 0.808 -0.552) 1.599 4.646 ( -0.686 -0.237 1.091) 1.311 4.686 ( 0.290 0.227 -0.200) 0.419 4.883 ( 4.161 3.998 1.811) 6.048 4.898 ( 3.013 5.091 -2.579) 6.453 4.993 ( 7.328 1.482 1.719) 7.671 5.018 ( 5.837 4.396 -1.136) 7.394 5.159 ( -0.268 2.695 4.598) 5.337 5.233 ( 0.819 0.329 -1.232) 1.516 5.390 ( -3.289 -2.155 -1.863) 4.351 5.433 ( -0.802 -6.535 -2.082) 6.906 5.468 ( -0.355 -5.260 -0.681) 5.316 5.577 ( 1.015 -4.330 -2.851) 5.283 5.627 ( 0.519 1.968 1.825) 2.734 5.669 ( 3.043 0.269 3.186) 4.413 5.838 ( -0.043 -1.203 1.226) 1.719 5.856 ( 0.796 -1.612 -0.909) 2.015 5.918 ( -0.540 -1.012 0.623) 1.305 5.931 ( 0.455 -1.485 0.022) 1.554 6.027 ( -7.800 0.658 0.743) 7.863 6.071 ( -6.269 -0.489 -1.007) 6.368 6.218 ( -0.211 -0.087 -1.337) 1.357 6.240 ( -1.580 0.218 -0.363) 1.636 6.277 ( -0.260 -1.974 -0.373) 2.026 6.311 ( -3.217 -1.957 0.466) 3.795 6.328 ( -0.300 -0.203 0.777) 0.857 6.340 ( 0.161 0.710 -0.216) 0.760 6.383 ( -0.261 -0.958 1.034) 1.434 6.433 ( 1.774 -2.028 -0.397) 2.723 6.480 ( 1.648 0.552 -0.467) 1.800 6.519 ( 4.838 0.538 -0.105) 4.869 6.529 ( 1.239 0.616 0.115) 1.389 6.578 ( 2.951 0.904 0.272) 3.099 6.632 ( 4.185 2.153 -0.166) 4.709 6.646 ( 3.732 0.998 -0.103) 3.865 6.845 ( -1.281 0.388 0.574) 1.456 6.857 ( -1.087 0.645 -0.263) 1.290 6.865 ( -0.691 -0.104 -0.138) 0.712 6.898 ( -0.369 -0.695 0.143) 0.800 6.912 ( -0.702 0.712 -0.776) 1.266 6.934 ( 0.010 -0.267 0.748) 0.794 7.081 ( -1.094 -1.120 -0.643) 1.692 7.111 ( 0.215 -1.544 0.414) 1.612 7.160 ( -1.142 -0.137 -0.401) 1.218 7.168 ( -0.745 -0.998 -0.176) 1.257 7.185 ( -0.996 -0.415 0.702) 1.287 7.208 ( -0.816 -0.878 -0.040) 1.199 7.269 ( -2.267 1.854 -0.019) 2.929 7.323 ( -0.231 2.488 0.467) 2.542 7.338 ( -0.584 1.809 -1.490) 2.415 7.350 ( 0.803 -0.938 1.137) 1.678 7.377 ( 0.157 1.121 -0.068) 1.134 7.417 ( 0.739 0.837 -0.246) 1.144 7.424 ( 1.933 0.209 0.106) 1.947 7.445 ( 1.451 0.493 0.452) 1.598 7.600 ( -0.659 -1.947 0.111) 2.059 7.611 ( -0.349 -2.397 -0.048) 2.423 7.654 ( 0.859 1.383 0.499) 1.703 7.670 ( 0.780 1.027 -0.765) 1.500 7.760 ( 0.481 0.139 0.468) 0.686 7.773 ( 0.252 -0.571 -0.650) 0.901 7.847 ( 0.021 2.036 0.245) 2.051 7.856 ( 0.757 2.229 0.437) 2.394 7.881 ( -0.875 1.276 0.090) 1.550 7.894 ( 0.110 0.205 0.218) 0.319 8.013 ( -0.698 -1.417 1.070) 1.908 8.031 ( -1.176 -1.990 -0.164) 2.317 8.052 ( 0.793 0.306 0.494) 0.983 8.071 ( -0.001 0.155 -0.057) 0.165 8.082 ( 0.071 -0.357 0.395) 0.538 8.099 ( -2.399 -0.357 -1.239) 2.724 8.144 ( -1.842 0.926 -0.685) 2.172 8.156 ( -0.414 1.045 0.794) 1.376 8.198 ( -1.253 0.375 0.466) 1.389 8.247 ( 0.315 -1.162 -0.497) 1.303 8.468 ( -2.223 -0.450 0.049) 2.268 8.482 ( -1.547 -0.445 -0.072) 1.611 8.505 ( -1.792 0.416 0.021) 1.839 8.507 ( -1.578 0.308 0.016) 1.608 10.294 ( -1.616 0.424 1.004) 1.950 10.307 ( -1.808 0.113 -1.122) 2.131 10.416 ( -0.290 0.405 0.202) 0.537 10.427 ( -0.432 0.045 -0.960) 1.053 10.449 ( -0.514 -0.499 1.556) 1.713 10.473 ( -0.562 -1.166 -0.823) 1.534 12.310 ( -0.932 0.159 -0.248) 0.977 12.324 ( 0.216 -0.132 -0.253) 0.357 12.365 ( -1.003 0.955 0.276) 1.412 12.407 ( 0.860 1.687 -1.309) 2.302 12.434 ( -1.172 -0.545 2.010) 2.389 12.497 ( -0.743 -1.678 0.106) 1.838 14.592 ( 0.655 0.029 -0.007) 0.655 14.593 ( 0.719 0.013 -0.000) 0.719 14.972 ( -0.718 0.601 0.301) 0.984 14.979 ( -0.689 0.710 -0.582) 1.147 15.018 ( -0.277 -0.686 0.595) 0.949 15.024 ( -0.246 -0.660 -0.320) 0.774 15.621 ( 0.092 0.997 -0.539) 1.137 15.634 ( 0.972 1.461 0.585) 1.850 15.692 ( -2.088 -1.747 -4.006) 4.844 15.761 ( 0.803 -5.130 3.703) 6.377 15.885 ( 0.777 0.587 -0.709) 1.205 15.907 ( 1.641 -0.112 0.671) 1.777 16.036 ( 2.646 0.726 0.395) 2.772 16.041 ( 1.747 0.703 -0.474) 1.941 16.133 ( 2.237 1.352 0.201) 2.622 16.148 ( 2.047 0.778 0.042) 2.190 16.170 ( 1.882 1.036 0.284) 2.167 16.190 ( 2.860 -1.705 -1.095) 3.505 16.250 ( 2.128 0.830 -0.072) 2.285 16.297 ( 3.065 0.639 0.141) 3.134 16.394 ( 0.117 -3.833 0.573) 3.878 16.408 ( 1.144 -2.464 -0.233) 2.727 16.581 ( -1.541 3.671 -2.504) 4.703 16.597 ( -5.325 3.385 2.392) 6.748 16.732 ( -2.779 -0.229 2.261) 3.590 16.803 ( -0.994 -0.931 -0.510) 1.454 16.821 ( -1.386 3.766 -1.574) 4.310 16.918 ( 2.493 0.967 -3.585) 4.472 17.068 ( 5.270 -0.215 -0.628) 5.311 17.085 ( 5.959 -0.572 0.697) 6.027 ======================= Grid point 55 (26/39) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.283 -0.087 0.315) 2.306 0.603 ( 1.237 -0.208 0.721) 1.446 0.653 ( 0.852 0.508 1.780) 2.038 0.701 ( 1.025 -2.478 1.622) 3.134 0.727 ( 2.461 0.404 0.896) 2.649 0.764 ( 1.505 -1.303 0.070) 1.992 0.808 ( 1.754 -2.659 1.051) 3.354 0.814 ( 1.088 -0.209 -1.091) 1.554 0.841 ( 1.989 0.203 -0.750) 2.136 0.866 ( 1.301 -0.590 0.765) 1.621 0.877 ( 2.248 -1.876 0.833) 3.045 0.904 ( 0.060 -0.544 -0.222) 0.590 0.944 ( 0.306 -4.021 -0.447) 4.058 0.959 ( 1.595 0.753 -0.892) 1.976 0.969 ( 2.948 -0.547 0.281) 3.011 0.997 ( 1.333 -0.686 0.934) 1.767 1.025 ( 1.697 0.391 -0.736) 1.890 1.053 ( 0.663 -1.135 -1.179) 1.765 1.069 ( 0.641 0.718 -1.212) 1.548 1.086 ( 0.999 -0.324 -0.332) 1.102 1.117 ( 2.471 3.422 -0.680) 4.275 1.154 ( 1.532 1.102 0.371) 1.924 1.165 ( 2.527 0.708 0.193) 2.631 1.199 ( 2.153 -1.327 0.538) 2.586 1.213 ( -0.257 -0.995 0.421) 1.111 1.225 ( 0.902 0.710 1.121) 1.604 1.240 ( 2.266 0.027 -0.842) 2.417 1.261 ( 0.778 0.229 0.609) 1.014 1.326 ( 0.446 2.671 -0.309) 2.726 1.337 ( 1.795 1.364 1.173) 2.541 1.349 ( 0.677 0.460 0.160) 0.834 1.391 ( 1.874 1.132 0.323) 2.213 1.396 ( 3.252 0.179 -0.392) 3.281 1.437 ( 2.396 1.064 1.724) 3.138 1.444 ( 2.011 -0.029 0.491) 2.071 1.472 ( -0.679 -0.882 -2.138) 2.410 1.486 ( 1.525 0.437 0.428) 1.643 1.523 ( 2.568 1.409 -0.701) 3.012 1.556 ( 0.351 -0.848 -1.128) 1.454 1.578 ( 2.325 -0.114 0.676) 2.424 1.605 ( 2.970 0.908 0.843) 3.218 1.619 ( -0.804 -1.398 0.348) 1.650 1.644 ( 2.722 0.392 -0.136) 2.753 1.679 ( 1.402 -1.496 0.005) 2.051 1.714 ( 3.375 0.661 0.471) 3.471 1.739 ( 3.702 -3.148 2.342) 5.394 1.752 ( 0.303 -1.385 0.768) 1.612 1.781 ( -0.740 -1.902 0.267) 2.058 1.795 ( 2.158 1.705 -2.388) 3.642 1.831 ( 0.181 0.282 -4.868) 4.879 1.870 ( -1.329 0.475 1.080) 1.777 1.895 ( 0.560 1.036 -1.880) 2.219 1.915 ( 2.467 1.006 0.326) 2.685 1.931 ( 4.860 0.766 -0.124) 4.921 2.008 ( -0.004 -0.136 -0.820) 0.831 2.069 ( 2.318 2.357 0.057) 3.306 2.100 ( 0.666 -0.925 0.176) 1.153 2.151 ( 2.350 -0.424 -0.475) 2.434 2.166 ( 0.414 -2.140 -0.229) 2.192 2.206 ( 2.401 -0.896 0.197) 2.570 2.238 ( -1.037 0.706 0.560) 1.374 2.266 ( -0.458 0.366 1.029) 1.184 2.313 ( -0.732 2.428 0.103) 2.538 2.333 ( -2.627 2.887 1.576) 4.209 2.379 ( -1.152 2.366 -1.562) 3.060 2.398 ( -1.484 2.230 -0.990) 2.856 2.420 ( -0.335 0.463 0.033) 0.572 2.488 ( 0.274 2.480 -0.050) 2.496 2.528 ( -0.506 -0.715 1.089) 1.397 2.577 ( 1.217 -0.072 0.699) 1.405 2.679 ( -1.471 -7.008 -0.298) 7.167 2.725 ( -0.504 -5.051 0.153) 5.079 3.262 ( 2.900 0.499 0.715) 3.029 3.330 ( 0.046 -1.968 -0.453) 2.020 3.347 ( -0.574 -1.813 1.144) 2.219 3.369 ( 1.090 -1.681 -3.671) 4.183 3.487 ( -0.870 0.044 3.596) 3.700 3.527 ( -0.346 -3.922 -1.050) 4.075 3.681 ( 0.702 -0.649 0.033) 0.957 3.714 ( 0.452 0.014 1.609) 1.672 3.782 ( -1.541 3.836 -2.846) 5.019 3.831 ( 1.115 1.119 -1.045) 1.894 3.903 ( 2.246 2.451 2.622) 4.234 3.936 ( 6.830 1.049 -0.252) 6.915 3.951 ( 4.369 -1.017 -0.006) 4.486 4.060 ( 1.580 -2.387 -1.340) 3.161 4.095 ( 0.144 1.911 0.510) 1.983 4.188 ( -0.924 2.494 0.589) 2.723 4.232 ( 0.884 -0.961 0.185) 1.319 4.269 ( 2.763 -1.647 0.980) 3.362 4.400 ( 0.793 2.382 0.247) 2.522 4.464 ( -4.079 -0.437 -0.521) 4.136 4.482 ( 2.808 3.040 0.324) 4.151 4.527 ( 0.930 0.814 -1.301) 1.794 4.559 ( -0.818 1.432 -2.347) 2.869 4.628 ( 1.463 0.536 -0.341) 1.595 4.674 ( -1.647 -0.309 1.427) 2.201 4.702 ( 4.491 -0.896 -0.654) 4.626 4.931 ( 2.168 7.348 -0.328) 7.668 4.953 ( 2.831 8.044 1.256) 8.619 5.113 ( 3.061 1.298 -0.781) 3.416 5.146 ( 4.642 0.165 -0.060) 4.646 5.189 ( 3.503 -0.041 4.611) 5.791 5.270 ( 2.611 0.711 0.201) 2.713 5.337 ( -0.684 -2.371 -2.502) 3.514 5.415 ( -0.214 -1.854 -1.301) 2.275 5.474 ( 0.616 -6.273 -0.366) 6.314 5.580 ( 0.659 -8.078 -2.444) 8.466 5.629 ( -0.903 1.756 1.055) 2.239 5.708 ( -0.551 -0.913 2.987) 3.172 5.803 ( -6.388 1.424 0.185) 6.548 5.821 ( -5.734 1.059 -1.280) 5.970 5.883 ( 1.009 -0.619 -0.386) 1.245 5.911 ( -0.887 -1.979 1.557) 2.670 5.939 ( -0.090 -1.240 0.322) 1.284 6.007 ( -1.206 -2.611 -1.132) 3.091 6.201 ( -1.641 0.632 -0.057) 1.759 6.238 ( 1.167 0.041 0.192) 1.184 6.253 ( -2.057 -1.583 -0.255) 2.608 6.273 ( -0.460 -2.266 0.435) 2.352 6.325 ( -0.310 1.122 0.369) 1.221 6.337 ( -0.165 -0.382 -0.425) 0.595 6.392 ( 0.895 -0.801 0.152) 1.211 6.462 ( 0.964 -2.251 -0.096) 2.451 6.511 ( 1.895 2.334 -0.114) 3.009 6.546 ( 1.103 1.579 -0.380) 1.963 6.612 ( 3.314 -0.983 -0.180) 3.462 6.640 ( 3.567 -1.238 0.311) 3.789 6.692 ( 2.345 0.869 -0.023) 2.501 6.737 ( 4.225 0.018 0.087) 4.226 6.824 ( -0.449 0.438 0.462) 0.779 6.844 ( 0.037 0.722 -0.487) 0.872 6.857 ( -0.065 -0.353 -0.315) 0.477 6.886 ( -0.469 -0.381 -0.326) 0.687 6.909 ( 0.267 1.053 0.115) 1.093 6.928 ( -0.357 0.484 0.590) 0.842 7.058 ( -1.418 0.415 -0.182) 1.489 7.108 ( -0.511 -0.006 0.273) 0.579 7.124 ( -1.592 -0.302 -0.376) 1.663 7.159 ( -0.617 -0.570 0.716) 1.104 7.166 ( -1.518 1.365 -0.080) 2.044 7.187 ( -0.795 -0.554 -0.466) 1.076 7.236 ( -0.704 -0.408 -0.284) 0.862 7.317 ( -0.028 2.928 0.661) 3.002 7.333 ( -0.116 0.429 -1.143) 1.226 7.360 ( 0.008 -1.092 1.218) 1.636 7.385 ( 0.405 0.253 -0.083) 0.485 7.436 ( 1.164 0.021 -0.577) 1.300 7.456 ( 0.743 -0.230 0.246) 0.816 7.464 ( 0.852 -0.417 0.059) 0.951 7.585 ( -0.699 -0.854 0.139) 1.112 7.610 ( 0.065 -1.577 -0.016) 1.579 7.670 ( 1.070 0.320 0.195) 1.134 7.697 ( 1.617 0.109 -0.269) 1.643 7.769 ( 0.148 0.310 0.169) 0.383 7.774 ( -0.110 0.025 -0.325) 0.344 7.843 ( -0.103 3.235 0.004) 3.236 7.860 ( -0.797 2.684 0.047) 2.800 7.883 ( 1.106 0.056 0.275) 1.141 7.900 ( 0.571 -0.218 0.251) 0.661 7.998 ( -1.610 -1.952 0.194) 2.538 8.000 ( -1.415 -1.769 -0.120) 2.268 8.046 ( -2.167 0.807 -0.715) 2.420 8.058 ( -0.974 -0.474 0.642) 1.259 8.071 ( -0.040 -0.082 0.418) 0.428 8.077 ( -0.474 0.040 -0.689) 0.837 8.114 ( -0.969 1.229 -0.419) 1.620 8.146 ( -0.573 1.511 0.596) 1.723 8.169 ( -1.760 0.567 0.668) 1.966 8.239 ( -1.087 -1.071 -0.607) 1.642 8.416 ( -2.821 -0.192 0.026) 2.828 8.444 ( -2.224 -0.383 -0.072) 2.258 8.461 ( -2.634 0.587 0.223) 2.708 8.467 ( -2.286 0.145 -0.153) 2.296 10.260 ( -1.883 0.245 0.985) 2.139 10.263 ( -2.385 0.260 -0.912) 2.566 10.405 ( -0.681 0.473 -0.158) 0.844 10.413 ( -0.798 0.128 -0.479) 0.940 10.440 ( -0.654 -0.547 0.909) 1.246 10.454 ( -1.273 -1.033 -0.432) 1.696 12.297 ( -0.247 -0.426 -0.258) 0.556 12.326 ( -0.616 -0.991 0.743) 1.383 12.357 ( 0.604 1.182 -1.169) 1.769 12.402 ( -0.910 1.348 1.131) 1.981 12.438 ( 0.939 -0.583 -0.481) 1.205 12.475 ( -1.157 -0.706 0.166) 1.366 14.606 ( 0.683 0.033 0.032) 0.685 14.608 ( 0.688 0.006 -0.027) 0.688 14.956 ( -0.877 0.629 0.407) 1.154 14.963 ( -0.742 0.766 -0.713) 1.283 15.011 ( -0.561 -0.838 0.725) 1.242 15.017 ( -0.440 -0.749 -0.392) 0.953 15.625 ( 0.439 0.966 -0.624) 1.231 15.652 ( 0.604 1.467 0.357) 1.627 15.675 ( 0.352 -0.483 -1.639) 1.744 15.757 ( -0.984 -2.233 1.564) 2.899 15.910 ( 1.669 0.643 -0.589) 1.883 15.943 ( 1.765 -0.369 0.807) 1.975 16.057 ( 0.799 1.764 -1.564) 2.490 16.091 ( 2.133 0.609 2.132) 3.076 16.176 ( 2.054 0.996 0.154) 2.288 16.190 ( 1.351 2.016 -0.097) 2.429 16.218 ( 2.608 -0.206 -0.621) 2.689 16.247 ( 3.759 0.522 -0.667) 3.853 16.320 ( 3.688 -0.106 0.490) 3.722 16.350 ( 2.466 -0.987 -0.416) 2.689 16.394 ( -0.076 -1.933 0.203) 1.945 16.432 ( 0.709 -2.033 0.361) 2.183 16.520 ( -1.646 2.059 0.430) 2.671 16.562 ( -0.474 3.179 -1.259) 3.452 16.662 ( -3.639 -1.745 -0.085) 4.037 16.731 ( -4.460 -1.203 1.850) 4.976 16.824 ( 0.771 -0.096 0.111) 0.785 16.923 ( -0.967 -1.193 -1.638) 2.245 17.207 ( 7.450 0.152 -1.298) 7.564 17.220 ( 6.829 -0.365 0.982) 6.909 ======================= Grid point 56 (27/39) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -1.117 -0.587 -0.026) 1.262 0.611 ( -0.951 -1.079 -0.584) 1.553 0.656 ( 0.548 -0.061 0.494) 0.740 0.716 ( 0.117 -3.270 -0.169) 3.276 0.751 ( -0.464 -1.070 2.003) 2.318 0.782 ( -0.054 -1.714 -0.564) 1.805 0.832 ( 1.322 1.044 -1.122) 2.024 0.840 ( 2.110 -0.123 1.837) 2.801 0.869 ( 0.172 1.283 -0.318) 1.333 0.879 ( -0.608 0.222 -1.232) 1.392 0.907 ( 1.204 -1.884 1.299) 2.586 0.956 ( 1.400 -1.148 -0.416) 1.858 0.962 ( 2.520 -1.733 1.000) 3.217 0.988 ( 1.044 -0.960 -0.044) 1.419 1.010 ( 0.800 -2.256 -0.799) 2.523 1.020 ( 0.094 -2.287 0.887) 2.455 1.030 ( 1.016 -0.975 -0.094) 1.412 1.069 ( 1.895 -2.580 -1.470) 3.523 1.106 ( 1.460 -1.763 -0.282) 2.306 1.128 ( 2.530 1.386 -0.621) 2.951 1.154 ( -0.063 -1.077 -0.534) 1.204 1.184 ( 2.223 1.619 -0.320) 2.768 1.197 ( 1.754 -0.698 0.934) 2.106 1.209 ( 0.813 0.329 -0.358) 0.947 1.240 ( 1.039 -0.474 0.368) 1.200 1.258 ( 2.245 -0.773 -0.129) 2.378 1.272 ( 1.608 1.777 0.324) 2.418 1.291 ( 1.724 0.288 0.647) 1.864 1.322 ( 0.476 2.044 -1.039) 2.342 1.355 ( 0.538 1.297 0.532) 1.502 1.372 ( 0.787 1.876 2.321) 3.086 1.411 ( 0.336 2.248 -1.228) 2.584 1.439 ( -0.831 -0.224 1.084) 1.384 1.457 ( 3.278 -0.515 -0.232) 3.326 1.481 ( 0.255 -0.451 1.162) 1.272 1.498 ( 1.735 -1.140 -1.136) 2.367 1.525 ( 0.734 -0.453 -2.048) 2.222 1.545 ( 2.197 -1.265 0.529) 2.590 1.551 ( -0.328 -0.317 -0.099) 0.467 1.587 ( -0.231 -3.516 -0.436) 3.550 1.620 ( 0.123 1.342 -0.702) 1.519 1.647 ( 0.793 -0.321 0.642) 1.070 1.693 ( 0.130 0.344 1.183) 1.239 1.708 ( 2.272 0.730 1.594) 2.870 1.718 ( -0.475 -1.541 -0.625) 1.730 1.737 ( -2.593 0.303 -0.878) 2.754 1.774 ( 0.568 -0.576 0.505) 0.954 1.779 ( -1.140 -0.307 -0.708) 1.377 1.831 ( 1.126 0.683 1.514) 2.007 1.843 ( 1.321 1.362 -1.765) 2.591 1.863 ( 0.973 0.680 0.428) 1.262 1.885 ( -0.412 -0.030 -1.514) 1.570 1.942 ( -1.260 1.889 0.451) 2.316 1.959 ( -1.604 1.058 0.863) 2.106 2.022 ( 3.009 -1.124 -0.577) 3.264 2.061 ( -3.024 -2.944 0.292) 4.231 2.135 ( 2.904 2.088 -1.085) 3.738 2.147 ( -1.351 0.040 -1.449) 1.982 2.193 ( -1.984 0.906 -0.300) 2.202 2.199 ( 0.109 2.204 1.722) 2.800 2.213 ( -0.831 1.951 -2.112) 2.994 2.263 ( -2.791 1.642 0.692) 3.311 2.298 ( 1.209 -0.441 0.724) 1.477 2.328 ( 1.275 2.137 1.847) 3.099 2.366 ( -1.278 1.039 -0.255) 1.666 2.384 ( 1.089 0.448 -0.353) 1.229 2.499 ( 4.751 -2.414 0.955) 5.414 2.534 ( 5.787 -1.005 -0.681) 5.913 2.563 ( 2.318 -1.639 0.040) 2.839 2.618 ( 3.402 0.605 -0.153) 3.459 2.655 ( -0.924 -6.148 -0.193) 6.220 2.715 ( -0.684 -3.062 0.344) 3.156 3.318 ( 1.919 -0.942 -0.051) 2.138 3.324 ( 0.424 -1.307 1.537) 2.061 3.370 ( 1.671 -0.477 -0.339) 1.770 3.397 ( 1.830 -1.234 -1.634) 2.746 3.472 ( -0.719 -0.102 0.785) 1.069 3.519 ( -1.044 -2.005 -0.940) 2.448 3.691 ( -0.061 1.914 1.790) 2.622 3.728 ( 0.632 2.218 -2.428) 3.349 3.774 ( 1.966 0.292 1.490) 2.485 3.840 ( -0.177 0.756 1.508) 1.696 3.945 ( 2.878 0.644 -1.519) 3.318 4.011 ( 0.612 -0.712 -1.428) 1.709 4.057 ( 3.834 2.633 -0.834) 4.726 4.101 ( 0.978 2.326 0.518) 2.576 4.120 ( 3.137 1.959 0.536) 3.737 4.193 ( 0.782 1.807 1.200) 2.306 4.251 ( 1.067 -1.972 0.956) 2.438 4.287 ( -1.050 -2.147 0.925) 2.562 4.384 ( -1.889 1.255 -0.700) 2.373 4.424 ( -0.357 -1.356 -1.854) 2.324 4.519 ( -1.148 5.065 2.967) 5.981 4.535 ( 2.367 2.476 -1.869) 3.902 4.553 ( 0.935 2.418 -2.068) 3.317 4.625 ( -2.065 0.569 2.223) 3.087 4.696 ( 4.531 0.304 -1.358) 4.740 4.774 ( 2.550 -1.760 -0.537) 3.144 4.971 ( 1.552 6.022 0.485) 6.238 4.998 ( 1.187 7.465 0.332) 7.566 5.140 ( -0.032 0.601 0.112) 0.612 5.177 ( 1.941 0.678 -0.416) 2.097 5.253 ( 1.057 -2.063 0.468) 2.365 5.310 ( -0.395 -0.762 -3.723) 3.821 5.359 ( 3.102 -1.222 4.213) 5.373 5.437 ( 1.913 0.601 1.484) 2.495 5.491 ( 1.344 -5.100 -1.036) 5.375 5.566 ( -2.427 -5.246 -0.459) 5.798 5.605 ( -2.581 -1.790 -0.765) 3.233 5.658 ( -1.302 -0.411 0.968) 1.674 5.711 ( -1.925 1.020 -1.399) 2.589 5.750 ( -1.715 -0.839 -0.360) 1.942 5.893 ( 0.134 -0.156 0.520) 0.559 5.919 ( 0.013 -0.661 0.162) 0.680 5.936 ( -0.396 -1.401 0.953) 1.740 5.973 ( -2.101 -2.639 -0.880) 3.486 6.165 ( -1.690 0.681 0.789) 1.985 6.214 ( -1.827 -1.842 -0.738) 2.697 6.263 ( 0.793 -0.177 0.894) 1.208 6.279 ( 0.898 -0.600 1.473) 1.826 6.318 ( -0.420 1.421 -0.533) 1.575 6.333 ( -0.124 -0.039 -1.384) 1.390 6.414 ( 1.209 -1.455 0.277) 1.912 6.466 ( -0.481 -2.720 -0.223) 2.771 6.549 ( 1.711 2.938 0.055) 3.400 6.566 ( 0.929 1.396 -0.565) 1.770 6.654 ( 1.011 -0.810 0.743) 1.494 6.686 ( 1.378 0.289 -1.312) 1.925 6.738 ( 2.111 -1.134 0.532) 2.455 6.796 ( 1.374 -2.125 0.147) 2.535 6.838 ( 1.374 0.347 -0.261) 1.441 6.850 ( 0.589 0.301 0.387) 0.766 6.856 ( 0.400 -0.325 -0.574) 0.772 6.892 ( 0.825 -0.486 -0.258) 0.992 6.916 ( 0.597 0.737 0.552) 1.098 6.930 ( 0.186 0.561 0.186) 0.619 7.040 ( -0.008 2.258 0.446) 2.302 7.091 ( -1.065 1.649 0.301) 1.986 7.106 ( -0.534 0.955 -0.687) 1.292 7.115 ( -2.391 2.928 0.085) 3.781 7.156 ( -0.349 -1.648 0.262) 1.704 7.180 ( -0.288 -1.160 -0.816) 1.447 7.243 ( 1.240 -2.728 0.616) 3.059 7.320 ( -1.215 -0.774 -0.625) 1.570 7.324 ( 0.435 0.565 0.390) 0.812 7.355 ( -0.557 -1.465 0.444) 1.629 7.397 ( 1.045 0.568 0.005) 1.190 7.446 ( -0.615 0.338 0.082) 0.707 7.465 ( 1.118 -0.907 -0.692) 1.598 7.479 ( 0.367 -0.621 0.296) 0.780 7.578 ( 0.009 0.417 0.416) 0.589 7.608 ( -0.279 -0.374 -0.237) 0.524 7.699 ( 1.599 -0.333 0.055) 1.634 7.723 ( 1.019 -0.759 -0.192) 1.285 7.764 ( -0.642 0.912 -0.155) 1.126 7.768 ( -0.382 0.676 -0.207) 0.804 7.844 ( -0.131 1.825 0.549) 1.910 7.851 ( 0.243 2.693 -0.172) 2.710 7.900 ( 0.663 -0.514 -0.258) 0.878 7.917 ( 0.938 0.857 0.225) 1.290 7.959 ( -1.714 -1.196 0.297) 2.111 7.976 ( -1.308 -1.099 -0.187) 1.718 8.011 ( -1.258 0.480 -0.003) 1.346 8.029 ( -1.531 -1.148 0.122) 1.918 8.066 ( -0.846 -0.127 -0.397) 0.943 8.067 ( -0.555 0.008 -0.445) 0.711 8.097 ( -0.476 1.064 0.562) 1.294 8.133 ( -1.561 1.764 0.019) 2.356 8.144 ( 0.016 -0.039 0.845) 0.846 8.208 ( -1.772 -0.841 -0.691) 2.079 8.372 ( -1.472 0.447 -0.013) 1.539 8.398 ( -2.354 0.469 -0.066) 2.401 8.417 ( -1.534 0.154 0.174) 1.551 8.427 ( -1.629 0.017 -0.101) 1.633 10.222 ( -1.496 0.136 -0.510) 1.587 10.228 ( -1.406 -0.143 0.570) 1.524 10.395 ( -0.161 0.428 0.012) 0.457 10.401 ( -0.241 0.133 -0.303) 0.410 10.424 ( -1.105 -0.459 0.101) 1.201 10.427 ( -1.227 -0.427 0.092) 1.302 12.296 ( 0.046 -0.119 -0.135) 0.186 12.309 ( -0.784 -0.045 0.233) 0.819 12.377 ( 1.245 -0.451 -1.534) 2.026 12.387 ( -0.831 -0.554 1.530) 1.827 12.455 ( 0.659 0.370 -0.502) 0.908 12.460 ( -0.311 0.131 0.407) 0.528 14.615 ( 0.265 0.020 0.087) 0.280 14.617 ( 0.276 -0.035 -0.086) 0.291 14.941 ( -0.663 0.677 0.659) 1.155 14.951 ( -0.311 0.682 -1.003) 1.253 15.000 ( -0.525 -0.825 0.819) 1.276 15.008 ( -0.312 -0.762 -0.427) 0.927 15.636 ( 0.704 1.078 -0.062) 1.289 15.661 ( 0.352 0.854 -0.050) 0.925 15.685 ( 0.563 0.198 0.009) 0.597 15.736 ( -1.116 -0.751 -0.050) 1.346 15.941 ( 1.383 0.547 -0.149) 1.495 15.969 ( 0.668 -0.334 0.176) 0.767 16.075 ( 1.170 2.077 -0.575) 2.452 16.115 ( 0.064 1.075 1.101) 1.539 16.202 ( 0.583 2.243 0.354) 2.344 16.214 ( 1.425 1.088 -0.764) 1.949 16.264 ( 2.239 -0.458 -0.952) 2.476 16.298 ( 0.441 0.627 1.021) 1.276 16.355 ( 0.927 -1.493 0.067) 1.758 16.390 ( 0.439 -0.393 -0.509) 0.778 16.414 ( 2.343 0.142 -0.472) 2.394 16.434 ( 0.188 -0.920 0.928) 1.320 16.524 ( 1.301 0.306 -0.784) 1.549 16.566 ( 0.517 1.492 1.107) 1.929 16.605 ( -1.757 -1.812 -1.775) 3.086 16.653 ( -3.623 -1.025 1.592) 4.088 16.847 ( 1.448 -1.734 0.368) 2.289 16.900 ( -1.034 -2.054 -0.694) 2.402 17.324 ( 4.452 0.208 -0.696) 4.511 17.329 ( 3.942 -0.012 0.614) 3.989 ======================= Grid point 57 (28/39) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.458 -0.623 0.793) 1.108 0.590 ( -0.773 -0.493 -1.527) 1.781 0.680 ( 1.463 -0.412 1.447) 2.099 0.707 ( -0.997 -1.442 -1.419) 2.255 0.748 ( 0.197 -1.608 1.938) 2.526 0.776 ( -0.047 -2.181 -0.863) 2.346 0.847 ( -0.143 0.757 -0.092) 0.776 0.856 ( 0.813 1.403 -1.146) 1.986 0.866 ( -0.575 0.210 0.255) 0.663 0.883 ( 0.445 0.174 -1.377) 1.457 0.924 ( 0.385 -1.980 1.868) 2.750 0.954 ( -0.804 -1.939 -0.525) 2.164 0.985 ( 0.545 0.023 0.129) 0.560 0.997 ( 0.549 -2.290 0.159) 2.360 1.013 ( -0.606 -2.245 1.098) 2.572 1.033 ( -0.224 -1.715 0.541) 1.813 1.055 ( 0.844 -0.953 -0.294) 1.306 1.081 ( -0.780 -1.652 -2.803) 3.346 1.123 ( 0.683 -1.871 0.425) 2.037 1.137 ( -1.041 -1.391 -1.136) 2.075 1.163 ( 1.349 -1.553 0.892) 2.242 1.180 ( -1.031 -1.428 -1.373) 2.233 1.230 ( 0.974 0.251 0.957) 1.388 1.239 ( -0.909 -0.520 0.430) 1.131 1.254 ( -0.446 -0.087 0.716) 0.848 1.272 ( 1.160 0.018 -1.102) 1.600 1.304 ( -1.018 2.185 1.024) 2.619 1.322 ( 0.662 2.393 -1.013) 2.681 1.344 ( 2.142 1.530 0.400) 2.662 1.352 ( -1.727 1.533 -0.355) 2.336 1.384 ( 0.296 0.243 1.660) 1.703 1.395 ( -1.689 1.036 1.498) 2.484 1.441 ( 2.131 0.170 0.409) 2.176 1.458 ( -0.991 -0.901 0.043) 1.340 1.495 ( -1.236 -1.033 -0.456) 1.674 1.515 ( 0.096 -0.981 -2.127) 2.345 1.536 ( 0.714 -0.040 0.576) 0.918 1.553 ( 0.359 -0.700 -1.177) 1.416 1.581 ( 1.380 -0.891 0.567) 1.738 1.588 ( -1.131 -1.740 0.286) 2.095 1.616 ( 0.510 -0.629 -0.301) 0.863 1.627 ( -0.933 -0.866 -1.100) 1.683 1.684 ( -0.516 0.419 1.599) 1.732 1.699 ( -1.238 0.010 0.253) 1.264 1.714 ( 0.341 0.232 0.139) 0.435 1.732 ( -1.599 -0.475 -1.412) 2.185 1.762 ( 2.503 2.040 0.467) 3.263 1.789 ( 0.609 0.733 -2.077) 2.285 1.827 ( -1.602 1.199 2.384) 3.112 1.864 ( 0.514 2.341 -0.580) 2.466 1.873 ( -0.204 -0.012 0.326) 0.385 1.882 ( -0.033 0.115 -0.258) 0.284 1.938 ( 2.390 -1.508 1.566) 3.231 1.974 ( -1.640 -2.079 -1.776) 3.188 1.998 ( 1.304 0.380 2.843) 3.151 2.040 ( -2.205 -0.440 -1.305) 2.600 2.123 ( -0.916 1.547 -0.692) 1.926 2.128 ( 0.017 1.160 -1.151) 1.634 2.171 ( 0.194 2.459 0.601) 2.539 2.196 ( 0.421 2.026 -1.215) 2.400 2.246 ( 2.903 2.165 0.636) 3.677 2.269 ( -2.315 2.859 -1.105) 3.842 2.282 ( 1.907 -0.518 2.146) 2.917 2.317 ( -1.745 1.189 -1.456) 2.565 2.372 ( 0.711 0.191 2.686) 2.785 2.401 ( 0.034 -0.366 -0.697) 0.788 2.540 ( -0.311 -5.975 1.360) 6.136 2.576 ( -0.407 -5.461 -2.450) 5.999 2.630 ( -2.131 -2.670 0.674) 3.482 2.642 ( 2.662 -2.641 -0.385) 3.769 2.682 ( -0.057 0.280 0.655) 0.714 2.688 ( -0.301 -0.134 -0.014) 0.330 3.326 ( -0.343 -0.983 1.205) 1.592 3.344 ( 0.323 -1.623 -0.474) 1.722 3.395 ( 0.590 -0.557 1.452) 1.663 3.432 ( 1.128 -1.400 -1.373) 2.262 3.457 ( -0.650 0.933 0.056) 1.139 3.482 ( -1.461 -0.368 -1.870) 2.402 3.692 ( -0.166 3.185 2.464) 4.030 3.731 ( 0.015 4.218 -1.936) 4.641 3.813 ( -0.309 -1.207 2.674) 2.950 3.842 ( 1.073 -1.233 -0.251) 1.654 3.989 ( 0.171 0.626 -1.722) 1.840 3.996 ( -0.340 0.655 -1.945) 2.080 4.092 ( -1.276 3.977 0.628) 4.224 4.100 ( 0.930 4.873 -0.214) 4.966 4.165 ( -0.790 -0.112 2.784) 2.896 4.195 ( 0.778 -0.952 -0.807) 1.471 4.261 ( -0.981 -2.460 1.104) 2.870 4.282 ( 1.928 -0.779 -0.770) 2.217 4.381 ( 1.944 0.255 -1.148) 2.272 4.400 ( -1.207 -1.514 -3.273) 3.803 4.493 ( -1.541 5.839 4.568) 7.572 4.550 ( -0.710 1.511 0.811) 1.856 4.593 ( 2.252 1.516 0.216) 2.724 4.606 ( -0.172 4.331 -3.160) 5.364 4.767 ( 1.427 -0.830 0.644) 1.772 4.778 ( -2.880 -1.539 -0.268) 3.277 4.988 ( -0.070 5.679 0.897) 5.750 5.002 ( -0.256 5.872 -0.521) 5.901 5.155 ( 2.136 -0.438 2.352) 3.207 5.203 ( -2.218 -1.006 -2.631) 3.586 5.251 ( 1.603 -0.198 0.626) 1.732 5.274 ( -2.520 -0.103 -2.209) 3.353 5.424 ( 3.343 -1.739 4.343) 5.750 5.460 ( -0.199 -2.049 0.188) 2.067 5.509 ( -0.318 -1.913 -0.644) 2.043 5.527 ( -1.020 1.999 -2.210) 3.150 5.577 ( 1.065 -3.376 2.862) 4.552 5.633 ( -1.398 -2.524 -3.053) 4.201 5.718 ( -0.823 -0.840 -0.244) 1.201 5.720 ( 0.719 -1.313 -0.482) 1.573 5.907 ( 1.392 -0.870 0.823) 1.836 5.917 ( -0.496 -1.214 0.896) 1.588 5.924 ( -0.099 -0.654 -0.251) 0.708 5.941 ( -0.608 -1.661 -0.747) 1.920 6.155 ( 0.759 0.147 1.581) 1.760 6.186 ( -0.630 -1.395 -1.593) 2.210 6.279 ( 0.696 0.211 1.751) 1.897 6.292 ( 0.079 0.440 1.798) 1.853 6.305 ( -0.723 0.690 -1.026) 1.432 6.331 ( -0.043 0.243 -1.889) 1.905 6.437 ( 0.986 -2.093 0.566) 2.381 6.449 ( -1.095 -2.493 -0.463) 2.762 6.568 ( -0.098 2.225 0.059) 2.228 6.575 ( 0.135 1.934 -0.649) 2.044 6.663 ( 0.039 0.684 1.450) 1.603 6.696 ( -0.140 -0.430 -2.257) 2.302 6.774 ( 1.046 -1.376 1.383) 2.214 6.790 ( -0.854 -1.920 -0.586) 2.181 6.845 ( -0.222 0.555 0.194) 0.628 6.858 ( 0.136 0.093 -1.253) 1.264 6.886 ( 0.341 -0.336 0.781) 0.915 6.894 ( -0.454 -0.604 -0.024) 0.756 6.927 ( -0.579 -0.264 0.458) 0.784 6.931 ( 0.593 0.013 0.090) 0.600 7.053 ( 0.224 3.965 1.202) 4.149 7.073 ( -0.111 2.789 -0.901) 2.933 7.085 ( -0.082 1.089 0.647) 1.270 7.103 ( 0.174 1.473 -1.105) 1.849 7.154 ( 0.251 -1.606 0.769) 1.799 7.171 ( -0.378 -1.389 -1.037) 1.774 7.270 ( -0.175 -2.683 1.657) 3.158 7.294 ( 0.018 -2.571 -0.922) 2.732 7.335 ( 0.762 -1.581 0.404) 1.801 7.343 ( -0.511 -0.794 -0.460) 1.050 7.420 ( 0.331 1.206 0.370) 1.304 7.428 ( -0.328 0.339 -0.391) 0.612 7.477 ( -0.646 -0.578 0.210) 0.892 7.484 ( 0.635 -0.764 -0.505) 1.114 7.584 ( 0.400 0.610 0.911) 1.167 7.599 ( -0.437 0.056 -0.650) 0.785 7.720 ( -0.076 0.374 0.380) 0.538 7.729 ( -0.034 -0.881 -0.488) 1.008 7.759 ( 0.113 0.818 -0.174) 0.844 7.762 ( 0.083 0.474 -0.334) 0.586 7.843 ( -0.046 1.613 0.862) 1.829 7.856 ( 0.015 1.762 -0.607) 1.864 7.911 ( 0.140 -0.220 0.615) 0.668 7.924 ( -0.394 0.391 -0.840) 1.007 7.947 ( 0.676 -0.427 0.589) 0.993 7.955 ( -0.463 -0.340 -0.235) 0.621 8.002 ( 0.415 -0.010 0.458) 0.618 8.011 ( -0.199 -0.840 -0.270) 0.904 8.047 ( -0.482 -0.163 0.226) 0.556 8.058 ( -0.165 -0.547 -0.739) 0.934 8.100 ( 0.471 1.110 0.845) 1.472 8.112 ( -0.214 1.507 -0.300) 1.552 8.156 ( 1.001 -0.198 1.135) 1.526 8.179 ( -0.823 -0.455 -1.202) 1.526 8.364 ( -0.056 0.930 0.066) 0.934 8.366 ( 0.036 0.766 -0.130) 0.777 8.404 ( 0.104 -0.016 0.254) 0.275 8.409 ( -0.088 -0.110 -0.209) 0.252 10.210 ( -0.413 -0.161 0.012) 0.443 10.210 ( 0.393 -0.161 -0.016) 0.425 10.400 ( -0.014 0.072 0.276) 0.286 10.404 ( 0.426 -0.043 -0.036) 0.430 10.406 ( 0.371 0.032 0.002) 0.372 10.409 ( -0.774 -0.030 -0.253) 0.815 12.292 ( -0.404 0.050 0.698) 0.808 12.308 ( 0.632 0.576 -1.058) 1.360 12.371 ( -0.960 -1.733 1.451) 2.455 12.398 ( 1.045 -0.784 -1.658) 2.111 12.451 ( -0.595 0.386 1.171) 1.369 12.467 ( 0.278 0.673 -0.611) 0.950 14.618 ( -0.013 0.008 0.102) 0.103 14.620 ( 0.015 -0.057 -0.107) 0.122 14.934 ( -0.171 0.761 0.656) 1.019 14.949 ( 0.233 0.534 -1.078) 1.225 14.994 ( -0.152 -0.729 0.868) 1.144 15.005 ( 0.089 -0.771 -0.397) 0.871 15.650 ( 0.565 1.160 0.544) 1.400 15.661 ( -0.471 1.129 -0.552) 1.342 15.698 ( 0.858 -0.188 0.855) 1.226 15.716 ( -0.930 -0.298 -0.962) 1.371 15.960 ( 0.552 0.259 0.409) 0.734 15.968 ( -0.695 0.051 -0.384) 0.796 16.099 ( 1.177 1.784 0.249) 2.151 16.103 ( -1.087 1.918 -0.159) 2.210 16.211 ( 0.154 1.802 0.662) 1.926 16.228 ( 0.002 1.495 -1.103) 1.858 16.280 ( -1.379 -0.052 1.338) 1.922 16.303 ( 1.422 -0.023 -0.968) 1.720 16.374 ( -0.472 -2.058 0.064) 2.113 16.376 ( 0.183 -1.714 -0.079) 1.726 16.439 ( -0.445 0.800 0.352) 0.981 16.448 ( 0.867 0.570 -0.696) 1.249 16.551 ( -1.124 -0.448 0.033) 1.211 16.555 ( 1.092 -0.276 -0.305) 1.167 16.597 ( -2.274 -0.444 1.223) 2.620 16.612 ( 1.993 -0.463 -0.359) 2.077 16.871 ( 0.199 -1.924 0.510) 2.001 16.883 ( -0.181 -2.509 -0.738) 2.622 17.366 ( -0.347 0.278 0.282) 0.526 17.371 ( 0.346 0.059 -0.290) 0.456 ======================= Grid point 58 (29/39) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.233 -0.095 -0.888) 0.922 0.593 ( 1.757 -0.747 1.006) 2.158 0.681 ( -1.112 -0.594 -1.704) 2.119 0.707 ( 0.832 -2.240 1.013) 2.595 0.762 ( 0.990 -1.970 1.798) 2.845 0.784 ( 0.768 -1.621 -0.867) 1.992 0.827 ( -2.947 -0.069 -0.703) 3.030 0.848 ( -0.019 1.936 0.537) 2.009 0.874 ( -0.293 -0.743 -0.448) 0.915 0.884 ( 0.758 0.104 -1.478) 1.664 0.922 ( -1.312 -1.004 -0.408) 1.702 0.947 ( -0.046 -2.621 0.739) 2.723 0.972 ( -2.817 -1.287 1.150) 3.303 0.980 ( -3.430 -3.121 0.471) 4.662 0.991 ( -0.784 0.487 -0.158) 0.936 1.026 ( -0.219 -1.430 -0.021) 1.447 1.043 ( -1.040 -2.062 0.436) 2.351 1.062 ( -0.447 -2.060 -1.945) 2.868 1.110 ( -1.512 0.284 -0.640) 1.666 1.120 ( -1.944 -0.220 -0.284) 1.977 1.160 ( -1.352 -0.622 -1.081) 1.840 1.176 ( -0.751 -0.158 0.590) 0.969 1.202 ( -1.534 0.488 0.395) 1.658 1.214 ( -2.477 1.030 -0.304) 2.700 1.228 ( -1.790 -0.733 0.631) 2.034 1.263 ( -1.705 -1.469 -0.282) 2.268 1.277 ( -0.333 0.202 0.055) 0.393 1.291 ( -2.725 1.844 0.777) 3.381 1.317 ( -0.518 1.997 -0.605) 2.150 1.360 ( 0.136 1.426 0.273) 1.458 1.381 ( -0.665 1.862 1.775) 2.657 1.406 ( 0.021 2.769 -0.408) 2.799 1.422 ( -2.002 -0.658 0.411) 2.147 1.470 ( -0.933 -1.183 1.476) 2.110 1.491 ( -1.909 -1.274 -2.169) 3.158 1.501 ( 1.540 -1.067 -0.461) 1.929 1.513 ( -2.060 -0.166 -1.200) 2.390 1.538 ( -1.258 0.056 1.219) 1.752 1.555 ( -2.107 -0.059 -0.195) 2.116 1.587 ( -0.358 -2.461 -0.850) 2.629 1.613 ( 1.106 1.022 -0.446) 1.571 1.652 ( 0.570 -1.410 0.427) 1.580 1.676 ( -0.775 -0.010 1.679) 1.849 1.712 ( 0.228 -1.425 0.246) 1.464 1.713 ( 1.109 -0.421 1.728) 2.096 1.733 ( 1.056 -0.673 1.120) 1.680 1.767 ( -2.282 1.619 -2.881) 4.016 1.793 ( -2.128 1.275 2.248) 3.348 1.802 ( 0.301 0.346 -1.663) 1.725 1.848 ( -2.281 -0.142 1.471) 2.718 1.876 ( -0.481 0.051 -0.750) 0.892 1.887 ( 1.275 0.948 -0.899) 1.826 1.939 ( -0.704 -0.011 -0.588) 0.917 1.973 ( 1.312 -0.371 -0.077) 1.366 2.011 ( 0.546 1.389 0.684) 1.642 2.054 ( 2.122 -1.448 0.299) 2.586 2.126 ( 0.394 0.958 -0.277) 1.072 2.157 ( -1.424 1.229 -1.627) 2.487 2.173 ( 2.141 1.457 0.545) 2.647 2.205 ( 1.353 2.146 -0.195) 2.544 2.229 ( -1.862 1.024 -1.614) 2.668 2.270 ( 0.662 0.761 1.012) 1.429 2.303 ( 0.616 -0.665 -0.169) 0.922 2.333 ( 2.475 3.665 1.020) 4.538 2.373 ( -2.922 -1.241 -0.470) 3.210 2.379 ( -0.319 1.774 -0.001) 1.803 2.497 ( -3.674 -2.201 1.276) 4.469 2.532 ( -6.089 -0.810 -0.941) 6.215 2.554 ( -1.567 -3.387 0.909) 3.841 2.609 ( -4.197 1.389 0.359) 4.435 2.667 ( 0.707 -5.379 -0.947) 5.508 2.713 ( 0.665 -3.261 0.534) 3.370 3.309 ( -1.141 -1.285 0.705) 1.858 3.336 ( -1.123 -2.196 0.824) 2.601 3.380 ( -2.193 0.478 -1.068) 2.486 3.397 ( -2.779 0.455 -2.132) 3.532 3.470 ( 2.049 -1.634 1.449) 2.994 3.500 ( 1.443 -1.399 0.290) 2.031 3.689 ( 0.058 2.779 1.778) 3.300 3.716 ( -1.312 2.438 -1.038) 2.957 3.795 ( -1.253 0.394 -1.244) 1.809 3.835 ( -2.175 -2.195 2.655) 4.074 3.956 ( -0.908 0.917 -2.616) 2.917 4.006 ( -0.064 0.159 -0.936) 0.951 4.044 ( -3.787 2.906 0.333) 4.785 4.099 ( -1.984 1.768 0.590) 2.722 4.131 ( -2.426 1.569 -0.589) 2.949 4.167 ( -2.112 2.144 2.391) 3.844 4.293 ( 2.403 -2.768 -0.540) 3.705 4.321 ( 1.485 -1.705 -1.262) 2.590 4.382 ( -0.342 2.231 -0.957) 2.451 4.418 ( 1.222 0.713 -2.295) 2.696 4.484 ( 0.755 2.657 2.505) 3.729 4.532 ( -0.879 1.008 0.379) 1.390 4.578 ( -2.842 3.351 -2.329) 4.973 4.625 ( 0.573 -0.775 2.369) 2.558 4.688 ( -3.703 1.124 -1.516) 4.156 4.748 ( -2.849 -0.358 1.761) 3.369 4.975 ( -1.373 6.945 0.125) 7.080 4.989 ( -1.138 6.155 0.942) 6.330 5.156 ( -0.786 1.039 -0.907) 1.587 5.171 ( -2.869 0.784 -0.151) 2.978 5.244 ( 0.600 -1.181 1.325) 1.874 5.268 ( -0.825 -1.301 0.391) 1.589 5.432 ( -2.870 -4.430 -2.134) 5.694 5.471 ( -1.956 -2.084 0.514) 2.904 5.493 ( 0.763 -0.652 -3.716) 3.849 5.530 ( 2.686 0.983 3.257) 4.335 5.593 ( -1.044 -4.829 -0.189) 4.944 5.652 ( 3.877 -3.012 1.673) 5.187 5.712 ( 2.403 1.225 -1.723) 3.201 5.741 ( 0.914 -0.544 0.529) 1.188 5.904 ( -0.514 -0.335 -0.494) 0.787 5.916 ( -0.265 -0.619 0.531) 0.858 5.948 ( 1.674 -1.793 1.333) 2.792 5.959 ( 1.532 -2.440 -1.119) 3.091 6.185 ( 1.501 -0.571 -0.251) 1.625 6.196 ( 2.083 -0.715 0.111) 2.205 6.283 ( -0.808 0.321 -1.309) 1.571 6.291 ( 0.379 0.678 2.229) 2.361 6.300 ( -0.074 0.011 0.961) 0.964 6.321 ( -0.554 0.141 -1.608) 1.706 6.424 ( -1.210 -1.928 -0.424) 2.315 6.454 ( 0.372 -2.402 0.701) 2.530 6.549 ( -1.561 2.869 -0.038) 3.267 6.567 ( -0.951 1.132 -0.517) 1.567 6.653 ( -1.344 0.038 0.686) 1.510 6.685 ( -0.784 -0.445 -1.017) 1.359 6.747 ( -2.579 -1.741 -0.311) 3.127 6.790 ( -1.078 -1.575 0.632) 2.011 6.834 ( -0.546 1.107 0.080) 1.237 6.853 ( -2.008 -0.315 0.008) 2.033 6.859 ( 0.066 -0.626 -0.741) 0.972 6.881 ( -1.228 -0.009 0.691) 1.410 6.918 ( -0.219 0.774 0.346) 0.876 6.933 ( -0.295 0.479 -0.035) 0.564 7.044 ( 0.049 2.028 0.162) 2.035 7.093 ( 0.781 0.827 0.357) 1.192 7.099 ( 1.296 1.927 -0.325) 2.345 7.122 ( 2.052 3.116 -0.443) 3.757 7.165 ( 0.634 -1.115 0.608) 1.420 7.169 ( 0.279 -1.671 -1.082) 2.010 7.238 ( -1.696 -3.184 0.919) 3.723 7.314 ( 0.649 0.314 0.023) 0.721 7.336 ( -0.194 0.454 -0.815) 0.953 7.356 ( 1.166 -2.590 0.574) 2.898 7.398 ( -1.120 0.700 -0.078) 1.323 7.447 ( 0.941 0.376 0.096) 1.018 7.457 ( -1.155 -0.611 -0.164) 1.317 7.484 ( -0.655 -0.591 -0.089) 0.886 7.585 ( -0.185 -0.131 -0.063) 0.235 7.600 ( 0.382 -0.012 0.300) 0.486 7.699 ( -1.494 -0.331 0.035) 1.531 7.722 ( -0.964 -0.550 -0.089) 1.114 7.766 ( 0.666 0.949 -0.354) 1.212 7.768 ( 0.229 0.486 -0.149) 0.557 7.843 ( 0.105 2.238 0.532) 2.303 7.853 ( -0.182 1.961 -0.234) 1.983 7.900 ( -0.932 0.152 -0.298) 0.991 7.914 ( -0.433 0.603 0.445) 0.866 7.968 ( 1.206 -1.074 -0.374) 1.657 7.970 ( 1.604 -1.391 0.384) 2.158 8.018 ( 1.092 -0.010 -0.784) 1.345 8.027 ( 1.795 -0.513 0.377) 1.905 8.049 ( 0.348 -0.073 0.854) 0.925 8.063 ( 0.526 -0.340 -0.055) 0.629 8.108 ( 0.593 1.549 -0.124) 1.663 8.129 ( 1.238 1.865 0.018) 2.238 8.174 ( 0.996 -0.825 -1.213) 1.773 8.187 ( 1.380 -0.456 0.940) 1.731 8.371 ( 1.470 0.434 0.013) 1.533 8.398 ( 2.358 0.570 -0.037) 2.426 8.419 ( 1.502 -0.039 0.073) 1.504 8.426 ( 1.653 0.116 -0.044) 1.658 10.216 ( 1.043 0.329 0.117) 1.100 10.234 ( 1.956 -0.367 -0.078) 1.991 10.397 ( 0.146 0.216 0.110) 0.283 10.399 ( -0.133 0.418 -0.346) 0.559 10.423 ( 1.188 -0.495 0.174) 1.298 10.428 ( 1.408 -0.426 0.020) 1.471 12.289 ( 0.051 -0.295 0.296) 0.421 12.326 ( 1.279 0.929 -1.082) 1.916 12.351 ( -1.159 -1.821 1.166) 2.453 12.413 ( 0.402 0.909 -1.236) 1.586 12.438 ( -0.549 -0.924 1.040) 1.496 12.467 ( -0.055 0.533 -0.173) 0.564 14.615 ( -0.284 0.021 0.082) 0.296 14.617 ( -0.254 -0.034 -0.085) 0.270 14.937 ( 0.433 0.839 0.505) 1.071 14.957 ( 0.630 0.444 -0.984) 1.250 14.997 ( 0.316 -0.681 0.851) 1.135 15.010 ( 0.438 -0.827 -0.333) 0.993 15.642 ( -1.090 1.171 -0.575) 1.699 15.658 ( 0.018 1.183 0.366) 1.238 15.696 ( -1.023 -0.294 -1.310) 1.688 15.723 ( 1.521 -0.710 1.379) 2.173 15.944 ( -1.640 0.473 -0.504) 1.779 15.962 ( -0.492 -0.150 0.792) 0.945 16.076 ( -1.533 2.148 -0.554) 2.697 16.119 ( 0.650 0.905 0.776) 1.358 16.205 ( -0.928 1.342 0.180) 1.642 16.214 ( -1.185 1.995 -0.763) 2.443 16.254 ( -1.454 0.328 -0.051) 1.492 16.299 ( -2.092 -0.366 0.664) 2.225 16.366 ( -0.114 -1.376 -0.499) 1.468 16.384 ( -0.098 -0.562 -0.185) 0.600 16.408 ( -2.401 0.260 0.194) 2.423 16.450 ( -0.346 -0.335 -0.464) 0.669 16.516 ( -1.503 0.298 -0.126) 1.537 16.560 ( -1.292 -0.432 1.286) 1.873 16.598 ( 2.702 -0.167 -0.690) 2.793 16.667 ( 3.577 -1.079 0.254) 3.745 16.849 ( -1.592 -1.925 0.295) 2.516 16.897 ( 1.000 -1.955 -0.540) 2.262 17.316 ( -4.677 0.538 0.156) 4.710 17.338 ( -3.658 -0.338 -0.255) 3.683 ======================= Grid point 59 (30/39) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -1.360 1.084 0.572) 1.831 0.619 ( -0.287 -1.327 -0.175) 1.369 0.668 ( -0.058 -0.783 -0.138) 0.797 0.706 ( -2.824 -3.685 1.503) 4.880 0.716 ( -5.780 0.186 1.706) 6.030 0.781 ( -0.233 -0.165 -0.011) 0.285 0.799 ( 0.165 -1.341 -0.407) 1.411 0.842 ( -1.892 2.246 -1.588) 3.338 0.850 ( -3.789 0.221 -1.003) 3.926 0.874 ( -0.149 -2.339 1.825) 2.970 0.896 ( -0.280 -2.129 -1.651) 2.708 0.901 ( -1.062 -0.299 -0.652) 1.282 0.908 ( -2.050 -2.619 1.644) 3.711 0.953 ( -1.228 -1.329 0.546) 1.891 0.981 ( -0.053 -0.453 -1.105) 1.195 0.996 ( -1.904 0.136 0.926) 2.121 1.025 ( -1.559 -3.256 -0.109) 3.611 1.043 ( -2.716 2.506 -1.136) 3.866 1.081 ( 0.164 -0.692 -1.471) 1.634 1.093 ( -0.028 1.194 -1.858) 2.208 1.111 ( -2.037 2.981 -0.126) 3.613 1.149 ( -3.647 0.668 1.607) 4.041 1.163 ( -0.963 0.055 -0.674) 1.177 1.197 ( -2.108 -0.262 1.617) 2.670 1.203 ( 0.645 -0.635 0.837) 1.233 1.233 ( -1.671 -1.061 -0.418) 2.023 1.241 ( -1.449 1.284 -0.203) 1.947 1.279 ( -0.328 -0.817 -0.538) 1.032 1.318 ( -0.047 2.780 0.406) 2.810 1.350 ( -3.804 1.949 0.434) 4.296 1.360 ( -0.960 0.949 -0.805) 1.572 1.382 ( -0.725 0.704 0.776) 1.274 1.403 ( -1.783 -0.982 -0.475) 2.090 1.413 ( -2.076 -1.023 1.250) 2.630 1.447 ( -2.136 1.111 0.975) 2.598 1.480 ( -1.485 0.738 -2.291) 2.828 1.489 ( -0.876 0.140 0.935) 1.289 1.524 ( -2.417 1.651 -0.382) 2.952 1.535 ( -0.184 -0.547 0.439) 0.725 1.597 ( -4.336 0.398 -0.656) 4.403 1.607 ( -1.267 -0.770 0.589) 1.595 1.621 ( -0.716 0.690 -0.111) 1.000 1.638 ( -4.341 0.681 0.258) 4.402 1.678 ( -3.202 -1.083 1.826) 3.842 1.689 ( -2.154 -0.348 0.670) 2.282 1.733 ( -3.908 -0.679 1.136) 4.126 1.740 ( -1.752 -0.727 2.608) 3.225 1.760 ( 1.305 -2.207 0.072) 2.565 1.793 ( -0.557 -2.202 -1.438) 2.688 1.810 ( 1.247 -0.973 -1.612) 2.258 1.884 ( -0.398 1.171 -1.033) 1.612 1.894 ( 0.151 0.503 -1.367) 1.464 1.913 ( -1.142 1.664 0.274) 2.037 1.956 ( -3.661 1.265 -0.639) 3.926 2.017 ( -1.837 1.785 -2.304) 3.445 2.069 ( -0.868 1.221 -1.080) 1.847 2.126 ( -0.208 -2.892 1.061) 3.088 2.132 ( -1.844 0.990 -1.289) 2.458 2.167 ( -0.804 -1.505 0.510) 1.781 2.188 ( -0.935 -0.753 1.150) 1.663 2.256 ( 1.826 0.039 -0.535) 1.903 2.278 ( -0.628 1.419 -0.299) 1.581 2.294 ( -0.556 0.805 2.078) 2.297 2.351 ( -0.009 2.862 0.815) 2.976 2.365 ( 3.756 2.643 -1.385) 4.798 2.388 ( 1.004 2.391 -0.045) 2.594 2.437 ( -1.422 0.880 -1.893) 2.526 2.478 ( 1.616 1.462 1.253) 2.514 2.540 ( -0.604 -0.218 -0.183) 0.668 2.563 ( -0.128 -0.256 1.903) 1.925 2.687 ( 1.474 -6.622 -0.809) 6.832 2.723 ( 0.416 -5.036 0.379) 5.067 3.284 ( -2.485 -0.119 -0.859) 2.632 3.306 ( -0.714 -1.671 1.576) 2.405 3.322 ( -2.007 -0.165 0.413) 2.056 3.387 ( 1.589 -1.404 -2.452) 3.242 3.492 ( -0.973 -2.836 2.574) 3.952 3.536 ( 2.957 -2.646 -1.282) 4.170 3.696 ( -0.432 0.975 -1.545) 1.877 3.708 ( 1.358 1.972 2.418) 3.403 3.763 ( -1.148 1.644 -0.793) 2.156 3.790 ( -2.700 -1.206 1.442) 3.290 3.922 ( -5.088 0.760 0.849) 5.214 3.941 ( -6.139 2.248 -0.650) 6.570 3.993 ( 0.195 1.088 -3.185) 3.371 4.031 ( -1.541 -2.658 1.472) 3.407 4.109 ( 0.162 2.112 -0.927) 2.312 4.154 ( 0.073 3.151 2.448) 3.990 4.260 ( -4.807 -1.503 -1.517) 5.260 4.324 ( -1.094 -2.849 -2.159) 3.738 4.401 ( -0.567 1.298 1.363) 1.966 4.438 ( 2.948 2.674 -1.009) 4.106 4.499 ( -1.678 0.169 0.474) 1.752 4.519 ( 0.778 2.232 -2.526) 3.459 4.548 ( 0.894 0.931 -0.619) 1.431 4.595 ( -2.885 -0.698 3.500) 4.589 4.670 ( 0.055 0.774 -1.026) 1.286 4.696 ( -1.959 0.192 1.550) 2.505 4.921 ( -3.601 7.071 0.567) 7.956 4.968 ( -1.332 8.845 -0.021) 8.945 5.098 ( -4.477 0.450 0.283) 4.508 5.144 ( -2.997 0.518 0.753) 3.133 5.211 ( -3.740 0.786 2.202) 4.411 5.260 ( 1.596 -2.511 0.846) 3.093 5.363 ( -2.786 -1.807 -4.648) 5.712 5.432 ( -1.757 -3.067 -1.568) 3.867 5.487 ( -0.082 -1.924 -2.694) 3.311 5.554 ( -2.180 -6.597 0.078) 6.948 5.601 ( 2.523 -0.019 3.687) 4.467 5.717 ( 1.168 -1.988 2.009) 3.058 5.792 ( 4.435 1.514 0.659) 4.733 5.828 ( 8.329 0.338 -1.460) 8.463 5.884 ( -1.450 -0.626 -0.196) 1.591 5.914 ( 0.344 -0.471 0.771) 0.967 5.970 ( 0.388 -3.032 -1.878) 3.587 5.976 ( 1.064 -1.893 1.456) 2.615 6.215 ( 1.330 -0.085 -1.120) 1.741 6.242 ( 2.285 -1.191 0.591) 2.644 6.264 ( -1.082 -0.126 -2.128) 2.391 6.285 ( -0.225 -2.311 -0.392) 2.355 6.312 ( 1.016 1.643 1.772) 2.622 6.321 ( 0.382 -0.036 0.830) 0.914 6.403 ( -0.665 -1.403 -0.667) 1.690 6.448 ( -1.048 -1.803 0.888) 2.267 6.512 ( -2.020 2.461 -0.177) 3.189 6.545 ( -1.098 1.278 -0.291) 1.710 6.614 ( -2.799 -0.192 -0.369) 2.830 6.640 ( -3.982 -2.273 0.357) 4.599 6.694 ( -2.589 0.670 -0.160) 2.679 6.736 ( -4.201 0.093 0.207) 4.208 6.831 ( 0.164 0.751 0.648) 1.005 6.837 ( 0.583 0.380 -0.714) 0.997 6.851 ( -0.143 0.473 0.174) 0.524 6.878 ( 0.534 -0.316 0.240) 0.665 6.912 ( -0.475 0.734 -0.048) 0.876 6.932 ( 0.350 0.289 0.276) 0.531 7.062 ( 1.310 0.596 -0.485) 1.519 7.107 ( 0.631 -0.613 0.241) 0.913 7.126 ( 1.590 0.775 -0.350) 1.803 7.161 ( 1.468 0.872 0.652) 1.828 7.168 ( 0.006 -1.583 -0.282) 1.608 7.190 ( 1.588 0.363 -0.843) 1.834 7.225 ( 0.743 -0.336 0.598) 1.011 7.314 ( -0.302 2.224 0.559) 2.313 7.333 ( -0.004 0.842 -0.595) 1.031 7.373 ( 0.402 -1.653 0.120) 1.706 7.384 ( -0.521 0.816 -0.018) 0.969 7.435 ( -1.016 -0.191 -0.655) 1.224 7.457 ( -0.227 0.131 0.237) 0.353 7.460 ( -1.505 -0.196 0.292) 1.546 7.588 ( 0.534 -1.244 -0.102) 1.358 7.606 ( 0.142 -1.333 0.294) 1.372 7.672 ( -1.103 0.245 0.086) 1.133 7.696 ( -1.517 0.174 -0.265) 1.550 7.767 ( -0.228 0.107 0.178) 0.309 7.775 ( 0.161 0.192 -0.255) 0.357 7.846 ( -0.204 3.431 -0.313) 3.451 7.854 ( 0.559 2.488 0.598) 2.620 7.883 ( -0.588 -0.807 0.098) 1.003 7.906 ( -0.522 0.682 -0.006) 0.859 7.994 ( 1.463 -1.635 0.257) 2.208 8.002 ( 1.440 -2.152 -0.028) 2.589 8.042 ( 1.071 0.884 -0.310) 1.423 8.056 ( 0.561 0.279 0.827) 1.037 8.069 ( 0.292 -0.332 -0.103) 0.454 8.074 ( 2.427 -0.861 -0.042) 2.576 8.121 ( 0.557 2.049 -0.729) 2.245 8.149 ( 0.934 1.959 0.188) 2.178 8.199 ( 1.380 -0.948 -2.093) 2.680 8.214 ( 1.048 -0.524 2.009) 2.326 8.416 ( 2.854 -0.181 0.032) 2.860 8.444 ( 2.229 -0.358 -0.089) 2.259 8.462 ( 2.534 0.397 0.244) 2.577 8.466 ( 2.344 0.283 -0.145) 2.366 10.248 ( 2.097 0.734 0.555) 2.290 10.277 ( 2.282 -0.335 -0.689) 2.408 10.402 ( 0.539 0.587 -0.030) 0.797 10.405 ( 0.533 0.082 0.217) 0.582 10.446 ( 0.985 -0.808 0.535) 1.382 10.454 ( 1.198 -0.711 -0.587) 1.512 12.294 ( 0.484 -0.498 -0.004) 0.695 12.331 ( -0.925 -1.394 0.559) 1.764 12.353 ( 1.488 1.260 -0.991) 2.187 12.403 ( -1.003 2.255 0.950) 2.644 12.445 ( 0.972 -1.770 -1.096) 2.298 12.470 ( 0.493 -0.092 0.677) 0.842 14.606 ( -0.683 0.042 0.041) 0.685 14.608 ( -0.687 0.003 -0.043) 0.688 14.951 ( 0.878 0.870 0.334) 1.280 14.970 ( 0.763 0.433 -0.788) 1.179 15.007 ( 0.508 -0.646 0.739) 1.105 15.020 ( 0.470 -0.839 -0.280) 1.001 15.621 ( -0.874 0.892 -0.228) 1.269 15.653 ( -0.586 0.833 -0.228) 1.043 15.671 ( -1.457 0.205 -0.756) 1.655 15.759 ( 2.004 -1.873 1.249) 3.014 15.908 ( -1.799 0.642 -0.393) 1.950 15.943 ( -1.438 -0.531 0.730) 1.698 16.045 ( -1.503 2.138 -0.144) 2.617 16.116 ( -1.383 -0.306 -0.080) 1.419 16.179 ( -1.453 0.975 0.254) 1.769 16.185 ( -1.752 2.066 -0.016) 2.709 16.212 ( -3.098 1.437 -0.482) 3.449 16.241 ( -3.220 -0.542 -0.096) 3.266 16.330 ( -3.654 0.250 -0.138) 3.665 16.340 ( -3.095 -0.438 0.188) 3.131 16.396 ( 0.336 -2.399 0.029) 2.422 16.436 ( -1.272 -2.188 0.084) 2.532 16.510 ( 0.754 2.256 1.087) 2.615 16.559 ( 1.907 1.788 -0.968) 2.788 16.667 ( 4.221 -0.660 -0.265) 4.281 16.746 ( 4.210 -1.508 0.758) 4.536 16.817 ( -1.632 0.153 0.573) 1.737 16.917 ( 1.048 -1.182 -1.332) 2.066 17.194 ( -7.374 0.673 0.041) 7.405 17.236 ( -6.495 -1.019 -0.605) 6.602 ======================= Grid point 60 (31/39) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -8.232 4.598 5.584) 10.959 0.542 ( -7.744 3.011 3.237) 8.917 0.581 ( -3.549 2.539 -2.607) 5.083 0.674 ( -0.028 -0.123 0.357) 0.378 0.709 ( 0.166 -0.769 1.664) 1.841 0.752 ( -2.924 0.367 0.922) 3.087 0.769 ( -2.739 3.374 -4.908) 6.555 0.795 ( -1.694 -0.765 0.027) 1.859 0.817 ( 0.871 -0.117 -0.314) 0.934 0.870 ( -0.728 -2.124 1.843) 2.905 0.887 ( 0.847 -3.488 -0.684) 3.654 0.912 ( 1.863 -0.986 -1.461) 2.565 0.924 ( 1.444 0.428 1.318) 2.001 0.944 ( 0.451 -1.641 -2.462) 2.993 0.967 ( -1.795 2.216 -0.690) 2.934 0.975 ( -2.831 0.732 2.976) 4.172 0.990 ( -0.084 0.087 -0.194) 0.228 1.004 ( 0.057 0.458 0.225) 0.513 1.070 ( -1.256 2.815 0.519) 3.126 1.080 ( -0.606 0.410 -0.648) 0.977 1.100 ( -0.584 -0.203 -0.530) 0.815 1.114 ( -1.962 2.640 0.753) 3.374 1.130 ( -3.177 1.338 0.356) 3.466 1.146 ( -1.302 0.736 0.262) 1.518 1.172 ( -5.811 4.216 2.018) 7.457 1.199 ( -1.571 -0.171 -0.406) 1.631 1.213 ( -2.351 -0.415 0.089) 2.389 1.243 ( -2.896 1.595 0.590) 3.358 1.262 ( -3.044 -1.013 -2.052) 3.808 1.299 ( -1.533 3.020 -0.210) 3.393 1.314 ( -0.327 0.742 0.362) 0.888 1.347 ( -1.524 -0.746 -0.153) 1.703 1.370 ( -0.827 -0.055 1.580) 1.784 1.385 ( -1.447 -0.969 2.332) 2.911 1.410 ( -2.842 -0.748 -1.080) 3.131 1.440 ( -1.369 0.407 0.437) 1.493 1.464 ( -0.857 -0.642 0.867) 1.378 1.486 ( -0.834 -0.014 1.931) 2.104 1.507 ( -6.148 -0.343 1.556) 6.352 1.539 ( -0.236 0.738 -0.659) 1.018 1.554 ( -1.228 0.250 -1.052) 1.636 1.590 ( 0.154 0.901 -2.205) 2.387 1.600 ( -1.112 -1.904 1.790) 2.840 1.635 ( -1.600 -0.831 -0.776) 1.963 1.671 ( -2.026 0.620 -1.683) 2.706 1.682 ( 0.981 -2.188 0.930) 2.571 1.702 ( -0.652 -0.995 0.289) 1.224 1.747 ( -3.451 0.989 -3.606) 5.088 1.792 ( 0.609 -1.208 -0.516) 1.447 1.838 ( -0.004 0.518 -2.277) 2.335 1.865 ( -0.661 0.875 0.564) 1.233 1.880 ( -0.522 0.457 -0.999) 1.217 1.901 ( 0.353 0.564 0.033) 0.667 1.927 ( 1.259 -0.135 -1.198) 1.743 1.969 ( -1.523 -0.909 -0.622) 1.880 2.027 ( -3.259 0.486 -0.872) 3.408 2.086 ( 0.113 -0.184 -1.011) 1.034 2.120 ( -1.360 -1.223 0.250) 1.846 2.144 ( -2.965 -1.981 1.336) 3.808 2.158 ( -1.291 -3.242 0.157) 3.493 2.277 ( 1.305 1.653 -0.542) 2.175 2.301 ( 2.063 2.613 0.363) 3.349 2.327 ( 1.457 0.783 -0.054) 1.655 2.354 ( -0.148 3.381 0.742) 3.464 2.416 ( 0.843 1.361 0.221) 1.616 2.440 ( 3.767 1.370 1.769) 4.382 2.454 ( 3.087 1.646 -0.195) 3.504 2.497 ( 0.194 2.855 -0.974) 3.023 2.561 ( 0.959 0.913 0.703) 1.499 2.574 ( 1.286 0.005 0.365) 1.337 2.715 ( 1.301 -6.149 -0.446) 6.301 2.731 ( 0.243 -5.317 0.253) 5.329 3.252 ( 0.340 -0.219 -1.421) 1.478 3.299 ( -0.847 0.937 0.861) 1.529 3.324 ( 2.146 -0.131 0.852) 2.313 3.423 ( 0.578 -4.986 -0.848) 5.091 3.474 ( 0.785 0.355 1.540) 1.765 3.582 ( 1.002 -1.988 -1.224) 2.540 3.668 ( -1.933 -0.443 -0.823) 2.147 3.707 ( -4.576 0.440 0.221) 4.602 3.740 ( 1.012 1.031 -0.581) 1.557 3.772 ( -1.289 -0.059 1.033) 1.653 3.834 ( -0.399 2.513 1.210) 2.817 3.885 ( 2.163 0.790 -0.043) 2.303 3.987 ( -0.086 -1.463 -0.237) 1.484 4.065 ( 2.640 -3.517 -0.200) 4.402 4.118 ( -0.713 -1.424 -2.861) 3.274 4.152 ( -1.691 -1.453 2.472) 3.329 4.182 ( 0.119 1.834 0.960) 2.074 4.276 ( -3.609 -3.664 -0.779) 5.202 4.347 ( -4.579 4.011 -0.265) 6.093 4.389 ( -6.946 -0.157 -1.116) 7.037 4.511 ( 3.007 1.640 0.600) 3.477 4.565 ( 2.473 0.931 -0.400) 2.673 4.571 ( 1.006 1.587 0.360) 1.913 4.578 ( 2.198 2.332 0.461) 3.238 4.670 ( -0.788 0.219 1.744) 1.926 4.672 ( 0.386 -0.900 -1.371) 1.685 4.861 ( -2.967 5.477 1.416) 6.388 4.916 ( -5.248 3.850 -2.067) 6.829 4.985 ( -5.159 4.194 2.040) 6.955 5.023 ( -6.977 1.973 -1.014) 7.321 5.179 ( -0.507 2.440 2.928) 3.845 5.297 ( -1.227 1.118 -7.512) 7.693 5.347 ( 3.634 -4.266 3.592) 6.657 5.415 ( 0.554 -3.548 -1.400) 3.854 5.483 ( -0.078 -4.375 -1.831) 4.743 5.523 ( -0.901 -5.952 1.825) 6.290 5.634 ( 0.486 1.497 2.036) 2.573 5.700 ( -3.007 1.246 -0.313) 3.270 5.832 ( 0.982 -2.461 1.707) 3.152 5.849 ( -1.590 -2.061 -0.422) 2.637 5.919 ( -0.986 -0.728 0.518) 1.331 5.936 ( 0.537 -1.515 -0.400) 1.656 6.040 ( 7.048 0.211 0.639) 7.080 6.058 ( 7.497 0.290 -0.907) 7.557 6.224 ( 0.076 -0.429 -1.665) 1.722 6.254 ( 0.735 -0.237 -1.986) 2.131 6.272 ( 0.755 -1.492 0.253) 1.691 6.312 ( 1.392 -0.443 0.800) 1.665 6.324 ( 1.240 -1.963 0.332) 2.345 6.336 ( 1.158 0.742 0.815) 1.599 6.398 ( -0.184 -0.944 0.011) 0.962 6.419 ( -1.455 -1.513 0.423) 2.141 6.477 ( -1.762 0.712 -0.308) 1.925 6.519 ( -3.691 1.523 -0.117) 3.995 6.533 ( -2.620 -1.012 -0.078) 2.810 6.575 ( -3.122 1.053 0.541) 3.338 6.634 ( -3.239 2.370 -0.364) 4.030 6.643 ( -4.423 0.909 0.159) 4.519 6.847 ( 1.147 0.438 0.629) 1.380 6.856 ( 0.863 0.835 -0.324) 1.244 6.865 ( 1.356 -0.265 -0.175) 1.393 6.891 ( 0.669 -0.139 0.501) 0.847 6.908 ( 0.184 0.328 -0.267) 0.461 6.939 ( 0.100 -0.501 0.295) 0.590 7.079 ( 0.700 -0.477 -0.486) 0.977 7.114 ( 0.001 -1.628 0.182) 1.638 7.156 ( 1.214 0.140 0.187) 1.237 7.168 ( 0.167 -1.093 -0.314) 1.150 7.193 ( 1.535 -1.040 -0.217) 1.867 7.205 ( 0.479 -1.203 0.336) 1.338 7.270 ( 2.861 2.424 -0.129) 3.752 7.317 ( 0.583 2.641 0.681) 2.789 7.330 ( -0.392 0.994 -0.217) 1.090 7.369 ( -0.491 -1.041 -0.540) 1.271 7.375 ( -0.452 1.659 -0.047) 1.721 7.415 ( -0.876 0.326 -0.240) 0.965 7.424 ( -1.617 0.750 0.152) 1.789 7.447 ( -1.228 0.459 0.364) 1.360 7.603 ( 0.833 -2.189 -0.141) 2.346 7.607 ( 0.081 -2.258 0.250) 2.273 7.656 ( -0.758 1.289 0.481) 1.571 7.669 ( -0.921 1.205 -0.777) 1.704 7.762 ( -0.343 -0.234 0.456) 0.617 7.772 ( -0.292 -0.220 -0.622) 0.722 7.837 ( -0.494 2.186 0.707) 2.350 7.867 ( 0.243 2.931 -0.048) 2.941 7.881 ( 0.371 -0.575 0.156) 0.701 7.896 ( -0.285 1.072 -0.081) 1.113 8.019 ( 0.802 -1.544 1.238) 2.135 8.026 ( 1.245 -2.043 0.010) 2.392 8.052 ( -0.342 0.126 0.425) 0.560 8.054 ( 0.146 -0.060 0.203) 0.257 8.087 ( 0.335 0.340 -0.327) 0.578 8.113 ( 1.904 -0.806 -1.285) 2.435 8.137 ( 1.296 1.325 0.100) 1.857 8.165 ( 0.653 1.117 -0.154) 1.303 8.217 ( 0.767 -1.016 -1.559) 2.013 8.228 ( 0.055 -0.358 1.596) 1.637 8.469 ( 2.278 -0.446 -0.020) 2.322 8.482 ( 1.515 -0.456 -0.039) 1.582 8.504 ( 1.645 0.378 0.065) 1.689 8.508 ( 1.759 0.347 -0.010) 1.793 10.290 ( 1.838 0.698 0.753) 2.105 10.315 ( 1.521 -0.211 -1.111) 1.896 10.414 ( 0.237 0.096 0.472) 0.537 10.416 ( 0.710 0.442 0.109) 0.844 10.459 ( 0.246 -0.828 0.775) 1.161 10.472 ( 0.690 -0.821 -1.009) 1.472 12.307 ( 0.805 0.028 -0.033) 0.807 12.321 ( -0.070 -0.153 -0.008) 0.168 12.375 ( 0.665 1.198 -0.491) 1.456 12.391 ( -0.090 1.180 0.518) 1.292 12.465 ( 1.223 -1.097 -1.412) 2.167 12.487 ( 0.721 -1.526 1.441) 2.219 14.592 ( -0.649 0.039 0.004) 0.650 14.593 ( -0.733 0.009 -0.014) 0.734 14.969 ( 0.857 0.786 0.262) 1.192 14.983 ( 0.545 0.466 -0.610) 0.942 15.016 ( 0.313 -0.550 0.587) 0.863 15.026 ( 0.205 -0.719 -0.255) 0.790 15.609 ( -0.288 0.555 0.340) 0.712 15.636 ( -0.743 -0.433 1.280) 1.542 15.646 ( -0.715 1.907 -0.290) 2.057 15.795 ( 1.054 -4.289 -0.030) 4.416 15.881 ( -0.750 0.566 -0.267) 0.976 15.911 ( -1.707 -0.488 0.199) 1.786 16.019 ( -1.358 1.598 0.622) 2.188 16.061 ( -3.543 0.075 -0.911) 3.659 16.141 ( -2.859 0.708 -0.518) 2.990 16.150 ( -2.003 0.948 -0.121) 2.219 16.159 ( -1.379 -0.140 1.062) 1.746 16.184 ( -2.368 0.632 -0.541) 2.510 16.258 ( -2.428 0.537 -0.855) 2.629 16.287 ( -2.658 0.849 1.000) 2.964 16.399 ( -0.357 -3.488 0.486) 3.540 16.406 ( -1.116 -2.933 -0.333) 3.155 16.546 ( 3.161 3.988 0.975) 5.181 16.631 ( 5.045 3.580 -1.392) 6.340 16.709 ( -2.695 0.673 3.228) 4.258 16.800 ( 2.680 0.132 -0.705) 2.775 16.836 ( 3.583 1.925 -0.942) 4.175 16.918 ( -1.520 0.440 -3.745) 4.065 17.063 ( -4.920 0.055 -0.074) 4.921 17.099 ( -6.671 -1.192 -0.705) 6.814 ======================= Grid point 61 (32/39) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.325 -2.074 -0.140) 2.104 0.545 ( 0.325 2.074 -0.140) 2.104 0.697 ( 0.481 -3.114 4.272) 5.309 0.697 ( 0.481 3.114 4.272) 5.309 0.727 ( 0.595 -3.217 1.066) 3.441 0.727 ( 0.595 3.217 1.066) 3.441 0.757 ( -2.561 -4.062 0.354) 4.815 0.757 ( -2.561 4.062 0.354) 4.815 0.811 ( 1.863 -4.619 -2.886) 5.756 0.811 ( 1.863 4.619 -2.886) 5.756 0.891 ( -3.372 -1.942 0.319) 3.905 0.891 ( -3.372 1.942 0.319) 3.905 0.913 ( 1.323 -2.523 -1.144) 3.071 0.913 ( 1.323 2.523 -1.144) 3.071 0.993 ( -0.665 -0.354 -0.677) 1.013 0.993 ( -0.665 0.354 -0.677) 1.013 1.016 ( -1.697 -2.771 1.964) 3.797 1.016 ( -1.697 2.771 1.964) 3.797 1.045 ( 2.446 -2.699 0.362) 3.660 1.045 ( 2.446 2.699 0.362) 3.660 1.122 ( -0.423 -0.553 0.792) 1.055 1.122 ( -0.423 0.553 0.792) 1.055 1.146 ( -0.253 -1.377 -0.181) 1.412 1.146 ( -0.253 1.377 -0.181) 1.412 1.164 ( -0.137 -1.363 -1.014) 1.704 1.164 ( -0.137 1.363 -1.014) 1.704 1.183 ( 1.421 -1.879 0.473) 2.403 1.183 ( 1.421 1.879 0.473) 2.403 1.265 ( -0.229 -1.427 -1.043) 1.782 1.265 ( -0.229 1.427 -1.043) 1.782 1.338 ( -1.354 -0.320 1.087) 1.766 1.338 ( -1.354 0.320 1.087) 1.766 1.354 ( 1.388 -1.202 -0.468) 1.895 1.354 ( 1.388 1.202 -0.468) 1.895 1.389 ( 0.006 -1.819 0.406) 1.863 1.389 ( 0.006 1.819 0.406) 1.863 1.416 ( -0.389 -1.986 1.753) 2.677 1.416 ( -0.389 1.986 1.753) 2.677 1.507 ( 0.898 -2.734 1.236) 3.132 1.507 ( 0.898 2.734 1.236) 3.132 1.579 ( -0.408 -1.174 1.178) 1.712 1.579 ( -0.408 1.174 1.178) 1.712 1.596 ( -1.160 -2.471 0.018) 2.730 1.596 ( -1.160 2.471 0.018) 2.730 1.663 ( 2.056 -1.518 -2.299) 3.437 1.663 ( 2.056 1.518 -2.299) 3.437 1.731 ( 0.345 -1.044 -3.657) 3.819 1.731 ( 0.345 1.044 -3.657) 3.819 1.832 ( -0.549 -1.956 0.379) 2.067 1.832 ( -0.549 1.956 0.379) 2.067 1.874 ( 0.299 -0.650 0.037) 0.716 1.874 ( 0.299 0.650 0.037) 0.716 1.916 ( 0.102 -0.965 -0.771) 1.239 1.916 ( 0.102 0.965 -0.771) 1.239 1.986 ( -0.594 -1.202 -0.994) 1.669 1.986 ( -0.594 1.202 -0.994) 1.669 2.036 ( -0.122 -1.043 -0.206) 1.070 2.036 ( -0.122 1.043 -0.206) 1.070 2.098 ( -0.253 -1.164 0.231) 1.214 2.098 ( -0.253 1.164 0.231) 1.214 2.319 ( -0.092 -0.224 0.144) 0.282 2.319 ( -0.092 0.224 0.144) 0.282 2.428 ( 0.364 -1.166 0.359) 1.273 2.428 ( 0.364 1.166 0.359) 1.273 2.454 ( 0.365 -0.359 0.480) 0.702 2.454 ( 0.365 0.359 0.480) 0.702 2.538 ( -0.536 -0.722 -0.322) 0.955 2.538 ( -0.536 0.722 -0.322) 0.955 2.587 ( 0.494 -1.000 -0.360) 1.172 2.587 ( 0.494 1.000 -0.360) 1.172 2.630 ( -0.428 -0.235 0.977) 1.093 2.630 ( -0.428 0.235 0.977) 1.093 3.281 ( 0.022 -0.107 -0.354) 0.370 3.281 ( 0.022 0.107 -0.354) 0.370 3.366 ( 0.133 -1.121 -0.575) 1.267 3.366 ( 0.133 1.121 -0.575) 1.267 3.546 ( -0.141 -0.649 0.454) 0.804 3.546 ( -0.141 0.649 0.454) 0.804 3.652 ( -0.412 -1.494 1.961) 2.500 3.652 ( -0.412 1.494 1.961) 2.500 3.724 ( 0.401 -1.035 -2.234) 2.494 3.724 ( 0.401 1.035 -2.234) 2.494 3.921 ( -0.053 -0.413 0.943) 1.031 3.921 ( -0.053 0.413 0.943) 1.031 3.999 ( -0.148 -0.495 0.847) 0.992 3.999 ( -0.148 0.495 0.847) 0.992 4.068 ( 0.004 -2.146 -1.739) 2.762 4.068 ( 0.004 2.146 -1.739) 2.762 4.243 ( 0.384 -1.256 0.444) 1.387 4.243 ( 0.384 1.256 0.444) 1.387 4.278 ( -0.170 -0.344 -0.278) 0.474 4.278 ( -0.170 0.344 -0.278) 0.474 4.606 ( 0.381 -0.494 1.242) 1.390 4.606 ( 0.381 0.494 1.242) 1.390 4.645 ( -0.182 -1.287 -0.800) 1.526 4.645 ( -0.182 1.287 -0.800) 1.526 4.700 ( 0.093 -0.211 0.169) 0.286 4.700 ( 0.093 0.211 0.169) 0.286 4.753 ( -0.023 -0.345 -0.036) 0.348 4.753 ( -0.023 0.345 -0.036) 0.348 5.168 ( 0.074 -4.232 -0.128) 4.235 5.168 ( 0.074 4.232 -0.128) 4.235 5.201 ( -0.128 -7.902 0.431) 7.915 5.201 ( -0.128 7.902 0.431) 7.915 5.261 ( -1.313 -2.395 -0.602) 2.797 5.261 ( -1.313 2.395 -0.602) 2.797 5.493 ( 2.883 -0.449 -0.140) 2.921 5.493 ( 2.883 0.449 -0.140) 2.921 5.642 ( -2.527 -1.390 -1.268) 3.150 5.642 ( -2.527 1.390 -1.268) 3.150 5.821 ( 1.607 -1.558 2.852) 3.625 5.821 ( 1.607 1.558 2.852) 3.625 5.889 ( -0.758 -0.679 -0.705) 1.238 5.889 ( -0.758 0.679 -0.705) 1.238 6.158 ( -0.308 -0.893 0.224) 0.971 6.158 ( -0.308 0.893 0.224) 0.971 6.223 ( 0.256 -0.203 -1.584) 1.617 6.223 ( 0.256 0.203 -1.584) 1.617 6.319 ( -1.079 -1.115 0.650) 1.682 6.319 ( -1.079 1.115 0.650) 1.682 6.337 ( 1.622 -1.312 -0.698) 2.200 6.337 ( 1.622 1.312 -0.698) 2.200 6.386 ( -1.167 -0.634 1.171) 1.771 6.386 ( -1.167 0.634 1.171) 1.771 6.431 ( 0.462 -0.593 -0.499) 0.902 6.431 ( 0.462 0.593 -0.499) 0.902 6.566 ( 0.281 -0.472 0.333) 0.642 6.566 ( 0.281 0.472 0.333) 0.642 6.608 ( -0.145 -0.671 -0.375) 0.782 6.608 ( -0.145 0.671 -0.375) 0.782 6.870 ( -0.277 -0.563 0.751) 0.978 6.870 ( -0.277 0.563 0.751) 0.978 6.884 ( 0.287 -0.671 -0.605) 0.948 6.884 ( 0.287 0.671 -0.605) 0.948 6.925 ( 0.066 -0.230 0.144) 0.279 6.925 ( 0.066 0.230 0.144) 0.279 7.079 ( -0.123 -0.235 -0.156) 0.308 7.079 ( -0.123 0.235 -0.156) 0.308 7.164 ( 0.112 -0.176 -0.421) 0.470 7.164 ( 0.112 0.176 -0.421) 0.470 7.199 ( 0.013 -0.254 0.418) 0.489 7.199 ( 0.013 0.254 0.418) 0.489 7.323 ( -0.191 -0.129 0.066) 0.239 7.323 ( -0.191 0.129 0.066) 0.239 7.350 ( -0.041 -0.416 -0.243) 0.483 7.350 ( -0.041 0.416 -0.243) 0.483 7.407 ( 0.179 -0.291 -0.007) 0.341 7.407 ( 0.179 0.291 -0.007) 0.341 7.449 ( -0.065 -0.275 0.304) 0.415 7.449 ( -0.065 0.275 0.304) 0.415 7.576 ( 0.020 -0.213 0.000) 0.214 7.576 ( 0.020 0.213 0.000) 0.214 7.672 ( -0.035 -0.641 -0.145) 0.658 7.672 ( -0.035 0.641 -0.145) 0.658 7.759 ( 0.009 -0.341 0.116) 0.360 7.759 ( 0.009 0.341 0.116) 0.360 7.846 ( -0.022 -0.698 0.069) 0.702 7.846 ( -0.022 0.698 0.069) 0.702 7.961 ( 0.116 -0.833 0.211) 0.867 7.961 ( 0.116 0.833 0.211) 0.867 7.977 ( -0.182 -1.262 0.914) 1.569 7.977 ( -0.182 1.262 0.914) 1.569 8.056 ( 0.146 -1.024 0.688) 1.243 8.056 ( 0.146 1.024 0.688) 1.243 8.096 ( -0.242 -1.404 -1.910) 2.383 8.096 ( -0.242 1.404 -1.910) 2.383 8.176 ( 0.127 -0.539 0.405) 0.686 8.176 ( 0.127 0.539 0.405) 0.686 8.219 ( -0.014 -0.223 -0.224) 0.316 8.219 ( -0.014 0.223 -0.224) 0.316 8.489 ( 0.002 -0.047 0.040) 0.062 8.489 ( 0.002 0.047 0.040) 0.062 8.527 ( -0.001 -0.116 -0.037) 0.122 8.527 ( -0.001 0.116 -0.037) 0.122 10.322 ( -0.049 -0.485 -0.122) 0.502 10.322 ( -0.049 0.485 -0.122) 0.502 10.427 ( 0.233 -0.487 0.603) 0.810 10.427 ( 0.233 0.487 0.603) 0.810 10.456 ( -0.163 -0.807 -0.530) 0.979 10.456 ( -0.163 0.807 -0.530) 0.979 12.328 ( 0.212 -0.222 -0.430) 0.528 12.328 ( 0.212 0.222 -0.430) 0.528 12.393 ( -0.279 -0.512 0.407) 0.711 12.393 ( -0.279 0.512 0.407) 0.711 12.466 ( 0.042 -0.685 -0.043) 0.687 12.466 ( 0.042 0.685 -0.043) 0.687 14.585 ( -0.001 -0.006 -0.007) 0.009 14.585 ( -0.001 0.006 -0.007) 0.009 14.994 ( 0.025 -0.423 -0.079) 0.431 14.994 ( 0.025 0.423 -0.079) 0.431 15.013 ( -0.028 -0.384 0.070) 0.391 15.013 ( -0.028 0.384 0.070) 0.391 15.633 ( 1.277 -1.095 2.063) 2.662 15.633 ( 1.277 1.095 2.063) 2.662 15.683 ( -1.216 -2.836 -1.803) 3.574 15.683 ( -1.216 2.836 -1.803) 3.574 15.888 ( 0.066 -0.097 -0.170) 0.207 15.888 ( 0.066 0.097 -0.170) 0.207 16.012 ( -0.093 -0.304 0.002) 0.318 16.012 ( -0.093 0.304 0.002) 0.318 16.135 ( 0.153 -0.894 0.183) 0.925 16.135 ( 0.153 0.894 0.183) 0.925 16.150 ( -0.095 -0.824 -0.265) 0.871 16.150 ( -0.095 0.824 -0.265) 0.871 16.304 ( -0.302 -3.202 0.608) 3.273 16.304 ( -0.302 3.202 0.608) 3.273 16.320 ( 0.291 -3.344 -0.384) 3.379 16.320 ( 0.291 3.344 -0.384) 3.379 16.658 ( 0.087 -0.265 -0.091) 0.294 16.658 ( 0.087 0.265 -0.091) 0.294 16.805 ( 0.073 -2.900 3.163) 4.292 16.805 ( 0.073 2.900 3.163) 4.292 16.890 ( -0.030 -0.664 -3.985) 4.040 16.890 ( -0.030 0.664 -3.985) 4.040 17.021 ( -0.056 -0.052 0.039) 0.086 17.021 ( -0.056 0.052 0.039) 0.086 ======================= Grid point 63 (33/39) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 3.343 -4.191 -0.727) 5.410 0.592 ( 3.343 4.191 -0.727) 5.410 0.683 ( -1.727 -2.187 2.695) 3.877 0.683 ( -1.727 2.187 2.695) 3.877 0.722 ( -0.046 -1.863 -0.591) 1.955 0.722 ( -0.046 1.863 -0.591) 1.955 0.738 ( 0.311 -4.106 2.793) 4.976 0.738 ( 0.311 4.106 2.793) 4.976 0.822 ( -0.129 -0.473 -1.083) 1.189 0.822 ( -0.129 0.473 -1.083) 1.189 0.856 ( 0.519 -3.761 0.762) 3.872 0.856 ( 0.519 3.761 0.762) 3.872 0.923 ( 0.060 -0.096 -0.017) 0.114 0.923 ( 0.060 0.096 -0.017) 0.114 0.985 ( -1.086 -1.233 0.138) 1.648 0.985 ( -1.086 1.233 0.138) 1.648 1.011 ( 1.890 -3.177 0.694) 3.761 1.011 ( 1.890 3.177 0.694) 3.761 1.062 ( 0.374 -1.869 -0.767) 2.055 1.062 ( 0.374 1.869 -0.767) 2.055 1.140 ( 1.568 -0.419 0.080) 1.625 1.140 ( 1.568 0.419 0.080) 1.625 1.161 ( 0.468 -0.555 -0.231) 0.762 1.161 ( 0.468 0.555 -0.231) 0.762 1.180 ( 1.783 -1.480 0.528) 2.376 1.180 ( 1.783 1.480 0.528) 2.376 1.228 ( 2.029 -1.157 -1.447) 2.747 1.228 ( 2.029 1.157 -1.447) 2.747 1.309 ( 2.290 -0.588 0.499) 2.416 1.309 ( 2.290 0.588 0.499) 2.416 1.342 ( 2.432 -0.144 0.950) 2.615 1.342 ( 2.432 0.144 0.950) 2.615 1.376 ( 1.552 -2.141 -0.510) 2.693 1.376 ( 1.552 2.141 -0.510) 2.693 1.438 ( 5.762 -1.896 0.077) 6.067 1.438 ( 5.762 1.896 0.077) 6.067 1.457 ( 1.743 -3.266 0.136) 3.704 1.457 ( 1.743 3.266 0.136) 3.704 1.531 ( 1.505 -0.502 0.096) 1.590 1.531 ( 1.505 0.502 0.096) 1.590 1.562 ( 0.325 -0.987 2.941) 3.119 1.562 ( 0.325 0.987 2.941) 3.119 1.620 ( 2.449 -1.472 -2.945) 4.104 1.620 ( 2.449 1.472 -2.945) 4.104 1.677 ( -0.003 -2.461 1.824) 3.063 1.677 ( -0.003 2.461 1.824) 3.063 1.744 ( 0.629 -1.461 -3.793) 4.113 1.744 ( 0.629 1.461 -3.793) 4.113 1.812 ( -0.751 -0.660 -1.166) 1.536 1.812 ( -0.751 0.660 -1.166) 1.536 1.872 ( 0.473 -1.528 0.636) 1.722 1.872 ( 0.473 1.528 0.636) 1.722 1.922 ( 0.570 -0.456 -0.915) 1.170 1.922 ( 0.570 0.456 -0.915) 1.170 1.995 ( 1.890 -3.568 -0.160) 4.041 1.995 ( 1.890 3.568 -0.160) 4.041 2.083 ( 3.470 -0.925 -0.072) 3.592 2.083 ( 3.470 0.925 -0.072) 3.592 2.109 ( 1.487 -2.768 0.878) 3.262 2.109 ( 1.487 2.768 0.878) 3.262 2.295 ( -2.214 -1.079 0.255) 2.476 2.295 ( -2.214 1.079 0.255) 2.476 2.414 ( -1.866 -1.958 -0.547) 2.759 2.414 ( -1.866 1.958 -0.547) 2.759 2.456 ( -0.148 -2.379 -0.356) 2.410 2.456 ( -0.148 2.379 -0.356) 2.410 2.505 ( -2.294 -2.064 0.729) 3.171 2.505 ( -2.294 2.064 0.729) 3.171 2.576 ( -2.034 -2.635 -0.481) 3.363 2.576 ( -2.034 2.635 -0.481) 3.363 2.614 ( -0.688 -3.898 0.973) 4.076 2.614 ( -0.688 3.898 0.973) 4.076 3.279 ( 0.013 -3.151 -0.043) 3.151 3.279 ( 0.013 3.151 -0.043) 3.151 3.341 ( -1.705 -1.891 -0.623) 2.622 3.341 ( -1.705 1.891 -0.623) 2.622 3.517 ( -1.951 -1.597 0.148) 2.525 3.517 ( -1.951 1.597 0.148) 2.525 3.662 ( 1.262 -1.816 1.570) 2.712 3.662 ( 1.262 1.816 1.570) 2.712 3.801 ( 5.949 -0.942 -0.950) 6.098 3.801 ( 5.949 0.942 -0.950) 6.098 3.878 ( -2.233 -0.591 -1.197) 2.601 3.878 ( -2.233 0.591 -1.197) 2.601 3.975 ( -0.988 -2.199 1.656) 2.925 3.975 ( -0.988 2.199 1.656) 2.925 4.110 ( 2.350 -3.582 0.454) 4.308 4.110 ( 2.350 3.582 0.454) 4.308 4.229 ( 0.342 -1.082 -1.375) 1.783 4.229 ( 0.342 1.082 -1.375) 1.783 4.390 ( 7.730 -0.913 -0.247) 7.788 4.390 ( 7.730 0.913 -0.247) 7.788 4.559 ( -5.229 -1.758 0.265) 5.523 4.559 ( -5.229 1.758 0.265) 5.523 4.617 ( -1.082 -1.344 -0.754) 1.883 4.617 ( -1.082 1.344 -0.754) 1.883 4.654 ( 0.459 -2.272 0.721) 2.427 4.654 ( 0.459 2.272 0.721) 2.427 4.917 ( 9.662 -0.923 -0.085) 9.707 4.917 ( 9.662 0.923 -0.085) 9.707 5.150 ( -1.314 -7.010 0.202) 7.135 5.150 ( -1.314 7.010 0.202) 7.135 5.222 ( 1.257 -9.260 0.713) 9.372 5.222 ( 1.257 9.260 0.713) 9.372 5.265 ( 1.995 -5.284 1.757) 5.915 5.265 ( 1.995 5.284 1.757) 5.915 5.473 ( -3.224 -4.022 -5.399) 7.465 5.473 ( -3.224 4.022 -5.399) 7.465 5.663 ( 2.532 -1.137 3.650) 4.585 5.663 ( 2.532 1.137 3.650) 4.585 5.832 ( 0.347 -0.370 -0.828) 0.971 5.832 ( 0.347 0.370 -0.828) 0.971 5.906 ( 1.457 -0.424 0.738) 1.687 5.906 ( 1.457 0.424 0.738) 1.687 6.050 ( -8.858 -1.328 0.069) 8.957 6.050 ( -8.858 1.328 0.069) 8.957 6.225 ( 0.148 -0.937 -1.167) 1.504 6.225 ( 0.148 0.937 -1.167) 1.504 6.271 ( -2.577 -1.403 -0.019) 2.934 6.271 ( -2.577 1.403 -0.019) 2.934 6.345 ( -1.076 -1.267 0.879) 1.880 6.345 ( -1.076 1.267 0.879) 1.880 6.383 ( 2.122 -2.090 -0.300) 2.993 6.383 ( 2.122 2.090 -0.300) 2.993 6.497 ( 3.533 -0.942 0.283) 3.667 6.497 ( 3.533 0.942 0.283) 3.667 6.574 ( 0.736 -1.632 -0.149) 1.796 6.574 ( 0.736 1.632 -0.149) 1.796 6.658 ( 4.082 -0.351 -0.158) 4.101 6.658 ( 4.082 0.351 -0.158) 4.101 6.854 ( -1.153 -0.423 0.347) 1.276 6.854 ( -1.153 0.423 0.347) 1.276 6.880 ( -0.558 -0.963 -0.261) 1.144 6.880 ( -0.558 0.963 -0.261) 1.144 6.926 ( 0.056 -0.508 0.063) 0.515 6.926 ( 0.056 0.508 0.063) 0.515 7.079 ( 0.095 -0.907 -0.050) 0.914 7.079 ( 0.095 0.907 -0.050) 0.914 7.159 ( -0.673 -0.066 -0.389) 0.780 7.159 ( -0.673 0.066 -0.389) 0.780 7.188 ( -0.816 -0.733 0.272) 1.130 7.188 ( -0.816 0.733 0.272) 1.130 7.313 ( -0.892 -1.983 0.392) 2.209 7.313 ( -0.892 1.983 0.392) 2.209 7.356 ( 0.267 -0.661 -0.426) 0.830 7.356 ( 0.267 0.661 -0.426) 0.830 7.410 ( 0.300 -1.128 -0.072) 1.169 7.410 ( 0.300 1.128 -0.072) 1.169 7.450 ( 0.144 -0.820 0.296) 0.884 7.450 ( 0.144 0.820 0.296) 0.884 7.572 ( -0.143 -0.332 0.043) 0.364 7.572 ( -0.143 0.332 0.043) 0.364 7.678 ( 0.467 -0.458 -0.097) 0.661 7.678 ( 0.467 0.458 -0.097) 0.661 7.765 ( 0.528 -0.229 0.058) 0.578 7.765 ( 0.528 0.229 0.058) 0.578 7.855 ( 0.829 -0.236 0.086) 0.867 7.855 ( 0.829 0.236 0.086) 0.867 7.952 ( -0.898 -1.883 -0.073) 2.088 7.952 ( -0.898 1.883 -0.073) 2.088 7.965 ( -0.916 -2.314 0.787) 2.610 7.965 ( -0.916 2.314 0.787) 2.610 8.063 ( 0.400 -0.645 0.364) 0.842 8.063 ( 0.400 0.645 0.364) 0.842 8.088 ( -0.665 -0.548 -0.911) 1.254 8.088 ( -0.665 0.548 -0.911) 1.254 8.165 ( -1.046 -0.550 -0.057) 1.183 8.165 ( -1.046 0.550 -0.057) 1.183 8.217 ( -0.251 -1.448 -0.029) 1.470 8.217 ( -0.251 1.448 -0.029) 1.470 8.470 ( -1.796 -0.536 0.026) 1.875 8.470 ( -1.796 0.536 0.026) 1.875 8.510 ( -1.663 -0.064 -0.015) 1.664 8.510 ( -1.663 0.064 -0.015) 1.664 10.305 ( -1.648 -0.414 0.002) 1.699 10.305 ( -1.648 0.414 0.002) 1.699 10.427 ( -0.276 -0.466 0.062) 0.545 10.427 ( -0.276 0.466 0.062) 0.545 10.447 ( -0.636 -0.877 -0.117) 1.089 10.447 ( -0.636 0.877 -0.117) 1.089 12.317 ( -0.942 -0.437 -0.340) 1.093 12.317 ( -0.942 0.437 -0.340) 1.093 12.394 ( 0.100 -1.527 0.381) 1.577 12.394 ( 0.100 1.527 0.381) 1.577 12.460 ( -0.524 -1.797 -0.039) 1.872 12.460 ( -0.524 1.797 -0.039) 1.872 14.593 ( 0.692 -0.041 -0.003) 0.694 14.593 ( 0.692 0.041 -0.003) 0.694 14.987 ( -0.638 -0.416 -0.130) 0.773 14.987 ( -0.638 0.416 -0.130) 0.773 15.009 ( -0.376 -0.371 0.131) 0.544 15.009 ( -0.376 0.371 0.131) 0.544 15.651 ( -0.085 -1.627 -1.580) 2.270 15.651 ( -0.085 1.627 -1.580) 2.270 15.679 ( 1.235 -2.554 1.651) 3.283 15.679 ( 1.235 2.554 1.651) 3.283 15.899 ( 1.172 -0.595 -0.150) 1.323 15.899 ( 1.172 0.595 -0.150) 1.323 16.046 ( 2.693 -0.180 0.171) 2.704 16.046 ( 2.693 0.180 0.171) 2.704 16.163 ( 2.005 -0.759 -0.461) 2.193 16.163 ( 2.005 0.759 -0.461) 2.193 16.169 ( 2.720 -1.560 0.138) 3.139 16.169 ( 2.720 1.560 0.138) 3.139 16.305 ( 0.601 -3.897 0.417) 3.965 16.305 ( 0.601 3.897 0.417) 3.965 16.343 ( 1.655 -3.151 -0.116) 3.561 16.343 ( 1.655 3.151 -0.116) 3.561 16.621 ( -2.742 -0.769 -0.878) 2.980 16.621 ( -2.742 0.769 -0.878) 2.980 16.763 ( -4.282 -2.380 2.622) 5.556 16.763 ( -4.282 2.380 2.622) 5.556 16.899 ( -0.434 -2.624 -2.460) 3.623 16.899 ( -0.434 2.624 -2.460) 3.623 17.072 ( 5.882 -0.541 0.085) 5.907 17.072 ( 5.882 0.541 0.085) 5.907 ======================= Grid point 65 (34/39) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.745 -0.765 0.276) 1.103 0.614 ( -0.745 0.765 0.276) 1.103 0.658 ( -1.246 -1.434 -0.473) 1.957 0.658 ( -1.246 1.434 -0.473) 1.957 0.752 ( 1.232 -1.528 2.180) 2.934 0.752 ( 1.232 1.528 2.180) 2.934 0.781 ( 3.634 -3.962 1.019) 5.472 0.781 ( 3.634 3.962 1.019) 5.472 0.828 ( 2.429 -1.510 -1.668) 3.311 0.828 ( 2.429 1.510 -1.668) 3.311 0.880 ( 1.079 -1.629 1.220) 2.304 0.880 ( 1.079 1.629 1.220) 2.304 0.944 ( 1.571 -2.614 0.268) 3.061 0.944 ( 1.571 2.614 0.268) 3.061 0.973 ( 0.215 -0.969 0.120) 1.000 0.973 ( 0.215 0.969 0.120) 1.000 1.026 ( -0.294 -1.522 -0.296) 1.578 1.026 ( -0.294 1.522 -0.296) 1.578 1.088 ( 1.808 -0.760 -0.232) 1.975 1.088 ( 1.808 0.760 -0.232) 1.975 1.161 ( 0.482 -0.772 -0.782) 1.200 1.161 ( 0.482 0.772 -0.782) 1.200 1.190 ( 2.685 -2.205 0.146) 3.478 1.190 ( 2.685 2.205 0.146) 3.478 1.209 ( 0.984 -0.972 0.382) 1.435 1.209 ( 0.984 0.972 0.382) 1.435 1.252 ( 0.787 -2.464 -0.554) 2.645 1.252 ( 0.787 2.464 -0.554) 2.645 1.349 ( 1.032 -0.193 0.594) 1.207 1.349 ( 1.032 0.193 0.594) 1.207 1.383 ( 2.693 -2.281 0.500) 3.564 1.383 ( 2.693 2.281 0.500) 3.564 1.411 ( 1.920 -0.601 -0.732) 2.141 1.411 ( 1.920 0.601 -0.732) 2.141 1.461 ( 0.682 -1.735 -0.853) 2.050 1.461 ( 0.682 1.735 -0.853) 2.050 1.520 ( -0.412 -2.039 -0.004) 2.080 1.520 ( -0.412 2.039 -0.004) 2.080 1.569 ( -0.724 -1.555 0.080) 1.717 1.569 ( -0.724 1.555 0.080) 1.717 1.614 ( 4.668 -1.988 1.521) 5.297 1.614 ( 4.668 1.988 1.521) 5.297 1.658 ( 3.180 -2.614 1.243) 4.300 1.658 ( 3.180 2.614 1.243) 4.300 1.691 ( 1.190 -2.133 0.320) 2.463 1.691 ( 1.190 2.133 0.320) 2.463 1.746 ( 0.786 -1.783 -0.797) 2.105 1.746 ( 0.786 1.783 -0.797) 2.105 1.827 ( 1.573 -0.763 -3.056) 3.521 1.827 ( 1.573 0.763 -3.056) 3.521 1.887 ( 0.116 -1.017 -1.039) 1.458 1.887 ( 0.116 1.017 -1.039) 1.458 1.947 ( 2.606 -0.734 0.185) 2.714 1.947 ( 2.606 0.734 0.185) 2.714 2.034 ( -0.098 -3.144 1.978) 3.716 2.034 ( -0.098 3.144 1.978) 3.716 2.122 ( 2.176 -1.981 -1.076) 3.133 2.122 ( 2.176 1.981 -1.076) 3.133 2.170 ( 3.426 -1.739 -0.110) 3.843 2.170 ( 3.426 1.739 -0.110) 3.843 2.266 ( -0.134 -0.875 0.145) 0.897 2.266 ( -0.134 0.875 0.145) 0.897 2.363 ( -3.009 -0.903 0.049) 3.141 2.363 ( -3.009 0.903 0.049) 3.141 2.425 ( -2.467 -0.282 0.188) 2.491 2.425 ( -2.467 0.282 0.188) 2.491 2.483 ( -0.156 -5.147 -0.605) 5.184 2.483 ( -0.156 5.147 -0.605) 5.184 2.533 ( -1.173 -3.158 0.890) 3.485 2.533 ( -1.173 3.158 0.890) 3.485 2.613 ( 0.877 -4.104 0.070) 4.197 2.613 ( 0.877 4.104 0.070) 4.197 3.287 ( 0.662 -1.792 1.205) 2.258 3.287 ( 0.662 1.792 1.205) 2.259 3.335 ( 1.572 -0.890 -1.962) 2.667 3.335 ( 1.572 0.890 -1.962) 2.667 3.487 ( -0.872 -0.277 0.513) 1.049 3.487 ( -0.872 0.277 0.513) 1.049 3.693 ( 1.236 -1.584 2.024) 2.852 3.693 ( 1.236 1.584 2.024) 2.852 3.830 ( -0.323 -1.280 -3.159) 3.424 3.830 ( -0.323 1.280 -3.159) 3.424 3.945 ( 3.828 -0.482 2.642) 4.676 3.945 ( 3.828 0.482 2.642) 4.676 3.982 ( 3.942 -3.641 -1.439) 5.555 3.982 ( 3.942 3.641 -1.439) 5.555 4.158 ( 2.383 -3.449 2.337) 4.800 4.158 ( 2.383 3.449 2.337) 4.800 4.247 ( 1.216 -1.013 -2.099) 2.629 4.247 ( 1.216 1.013 -2.099) 2.629 4.440 ( -2.396 -1.468 0.243) 2.821 4.440 ( -2.396 1.468 0.243) 2.821 4.536 ( 1.910 -0.673 -0.788) 2.173 4.536 ( 1.910 0.673 -0.788) 2.173 4.607 ( 0.294 -3.008 -1.738) 3.487 4.607 ( 0.294 3.008 -1.738) 3.487 4.676 ( 2.082 -1.506 1.738) 3.103 4.676 ( 2.082 1.506 1.738) 3.103 5.083 ( 6.436 -0.642 -0.584) 6.495 5.083 ( 6.436 0.642 -0.584) 6.495 5.135 ( 0.365 -2.954 1.389) 3.285 5.135 ( 0.365 2.954 1.389) 3.285 5.230 ( -0.802 -7.198 0.372) 7.253 5.230 ( -0.802 7.198 0.372) 7.253 5.328 ( 3.703 -4.911 1.717) 6.386 5.328 ( 3.703 4.911 1.717) 6.386 5.423 ( -0.521 -3.289 -3.852) 5.092 5.423 ( -0.521 3.289 -3.852) 5.092 5.675 ( -1.578 -2.118 1.836) 3.217 5.675 ( -1.578 2.118 1.836) 3.217 5.837 ( -6.778 -0.690 -0.552) 6.836 5.837 ( -6.778 0.690 -0.552) 6.836 5.870 ( 1.551 -0.550 0.430) 1.701 5.870 ( 1.551 0.550 0.430) 1.701 5.948 ( -0.842 -2.300 -0.237) 2.461 5.948 ( -0.842 2.300 -0.237) 2.461 6.220 ( -1.663 -1.144 -0.021) 2.018 6.220 ( -1.663 1.144 -0.021) 2.018 6.242 ( 0.553 -0.466 -0.152) 0.739 6.242 ( 0.553 0.466 -0.152) 0.739 6.335 ( -0.143 -0.582 0.327) 0.683 6.335 ( -0.143 0.582 0.327) 0.683 6.410 ( 0.706 -2.246 -0.298) 2.373 6.410 ( 0.706 2.246 -0.298) 2.373 6.557 ( 2.271 -1.573 0.341) 2.783 6.557 ( 2.271 1.573 0.341) 2.783 6.603 ( 2.548 -1.483 -0.287) 2.963 6.603 ( 2.548 1.483 -0.287) 2.963 6.723 ( 2.230 -1.236 -0.062) 2.550 6.723 ( 2.230 1.236 -0.062) 2.550 6.839 ( -0.284 -0.817 0.091) 0.870 6.839 ( -0.284 0.817 0.091) 0.870 6.870 ( -0.258 -1.043 -0.216) 1.096 6.870 ( -0.258 1.043 -0.216) 1.096 6.929 ( 0.174 -0.557 0.195) 0.615 6.929 ( 0.174 0.557 0.195) 0.615 7.081 ( 0.213 -1.600 -0.005) 1.614 7.081 ( 0.213 1.600 -0.005) 1.614 7.140 ( -0.874 -1.191 0.153) 1.485 7.140 ( -0.874 1.191 0.153) 1.485 7.176 ( -0.457 -0.660 -0.290) 0.853 7.176 ( -0.457 0.660 -0.290) 0.853 7.284 ( -2.211 -3.782 0.313) 4.392 7.284 ( -2.211 3.782 0.313) 4.392 7.353 ( -0.359 -0.472 -0.175) 0.619 7.353 ( -0.359 0.472 -0.175) 0.619 7.419 ( 0.629 -1.819 -0.313) 1.950 7.419 ( 0.629 1.819 -0.313) 1.950 7.455 ( 0.330 -0.280 0.361) 0.563 7.455 ( 0.330 0.280 0.361) 0.563 7.578 ( 0.757 -0.642 0.062) 0.994 7.578 ( 0.757 0.642 0.062) 0.994 7.687 ( 0.536 -0.892 -0.065) 1.043 7.687 ( 0.536 0.892 -0.065) 1.043 7.776 ( 0.418 -0.192 -0.053) 0.463 7.776 ( 0.418 0.192 -0.053) 0.463 7.872 ( 0.717 -0.456 0.060) 0.852 7.872 ( 0.717 0.456 0.060) 0.852 7.931 ( -1.093 -2.206 -0.099) 2.464 7.931 ( -1.093 2.206 -0.099) 2.464 7.951 ( -0.439 -1.664 0.426) 1.773 7.951 ( -0.439 1.664 0.426) 1.773 8.054 ( -1.975 -0.152 0.028) 1.981 8.054 ( -1.975 0.152 0.028) 1.981 8.073 ( -0.105 -0.371 -0.412) 0.565 8.073 ( -0.105 0.371 -0.412) 0.565 8.143 ( -1.145 -1.171 0.388) 1.683 8.143 ( -1.145 1.171 0.388) 1.683 8.205 ( -1.031 -2.014 -0.249) 2.276 8.205 ( -1.031 2.014 -0.249) 2.276 8.428 ( -2.290 -0.958 0.005) 2.482 8.428 ( -2.290 0.958 0.005) 2.482 8.468 ( -2.424 -0.079 -0.003) 2.425 8.468 ( -2.424 0.079 -0.003) 2.425 10.265 ( -2.252 -0.139 0.058) 2.257 10.265 ( -2.252 0.139 0.058) 2.257 10.416 ( -0.729 -0.247 -0.463) 0.898 10.416 ( -0.729 0.247 -0.463) 0.898 10.433 ( -0.794 -0.484 0.374) 1.002 10.433 ( -0.794 0.484 0.374) 1.002 12.303 ( -0.339 -0.861 -0.129) 0.934 12.303 ( -0.339 0.861 -0.129) 0.934 12.390 ( -0.618 -1.634 0.142) 1.752 12.390 ( -0.618 1.634 0.142) 1.752 12.454 ( 0.069 -1.266 -0.008) 1.268 12.454 ( 0.069 1.266 -0.008) 1.268 14.607 ( 0.674 -0.061 0.003) 0.677 14.607 ( 0.674 0.061 0.003) 0.677 14.972 ( -0.829 -0.438 -0.155) 0.950 14.972 ( -0.829 0.438 -0.155) 0.950 15.000 ( -0.517 -0.402 0.174) 0.678 15.000 ( -0.517 0.402 0.174) 0.678 15.650 ( 0.321 -1.162 -1.194) 1.696 15.650 ( 0.321 1.162 -1.194) 1.696 15.702 ( 0.718 -2.520 1.155) 2.863 15.702 ( 0.718 2.520 1.155) 2.863 15.929 ( 1.667 -0.910 -0.053) 1.900 15.929 ( 1.667 0.910 -0.053) 1.900 16.091 ( 1.739 -0.923 0.164) 1.975 16.091 ( 1.739 0.923 0.164) 1.975 16.201 ( 2.141 -1.215 0.072) 2.463 16.201 ( 2.141 1.215 0.072) 2.463 16.240 ( 3.086 -1.534 -0.327) 3.462 16.240 ( 3.086 1.534 -0.327) 3.462 16.334 ( 2.389 -1.743 -0.218) 2.966 16.334 ( 2.389 1.743 -0.218) 2.966 16.375 ( 1.499 -2.444 0.627) 2.935 16.375 ( 1.499 2.444 0.627) 2.935 16.574 ( -1.638 -2.267 -1.570) 3.207 16.574 ( -1.638 2.267 -1.570) 3.207 16.675 ( -4.419 -2.968 1.908) 5.655 16.675 ( -4.419 2.968 1.908) 5.655 16.870 ( -1.576 -3.186 -0.721) 3.627 16.870 ( -1.576 3.186 -0.721) 3.627 17.212 ( 7.290 -0.333 -0.074) 7.298 17.212 ( 7.290 0.333 -0.074) 7.298 ======================= Grid point 67 (35/39) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -0.788 -1.510 0.157) 1.711 0.595 ( -0.788 1.510 0.157) 1.711 0.650 ( 0.283 -0.874 -0.781) 1.206 0.650 ( 0.283 0.874 -0.781) 1.206 0.743 ( -0.887 -0.760 2.617) 2.865 0.743 ( -0.887 0.760 2.617) 2.866 0.840 ( 2.013 -0.916 -2.147) 3.082 0.840 ( 2.013 0.916 -2.147) 3.082 0.886 ( 0.105 -0.350 -0.209) 0.421 0.886 ( 0.105 0.350 -0.209) 0.421 0.914 ( 3.797 -1.235 1.876) 4.412 0.914 ( 3.797 1.235 1.876) 4.412 0.940 ( -1.199 -3.657 -1.183) 4.026 0.940 ( -1.199 3.657 -1.183) 4.026 1.005 ( 1.172 -0.450 -0.817) 1.497 1.005 ( 1.172 0.450 -0.817) 1.497 1.026 ( 1.150 -1.044 0.766) 1.732 1.026 ( 1.150 1.044 0.766) 1.732 1.111 ( 0.453 -1.707 0.639) 1.878 1.111 ( 0.453 1.707 0.639) 1.878 1.170 ( -0.099 -1.819 -1.358) 2.272 1.170 ( -0.099 1.819 -1.358) 2.272 1.210 ( 0.613 -0.465 0.795) 1.106 1.210 ( 0.613 0.465 0.795) 1.106 1.256 ( 1.841 -1.899 -0.211) 2.653 1.256 ( 1.841 1.899 -0.211) 2.653 1.279 ( 3.245 -1.302 -0.005) 3.496 1.279 ( 3.245 1.302 -0.005) 3.496 1.357 ( 0.772 -0.872 0.239) 1.189 1.357 ( 0.772 0.872 0.239) 1.189 1.409 ( -0.411 -1.429 1.565) 2.159 1.409 ( -0.411 1.429 1.565) 2.159 1.452 ( 1.446 -0.399 -0.248) 1.520 1.452 ( 1.446 0.399 -0.248) 1.520 1.490 ( -0.937 -1.388 -1.453) 2.217 1.490 ( -0.937 1.388 -1.453) 2.217 1.512 ( 2.048 -0.565 -0.080) 2.126 1.512 ( 2.048 0.565 -0.080) 2.126 1.552 ( 1.192 -0.387 0.341) 1.299 1.552 ( 1.192 0.387 0.341) 1.299 1.639 ( -0.850 -0.514 -0.499) 1.112 1.639 ( -0.850 0.514 -0.499) 1.112 1.694 ( -1.190 -0.114 -0.506) 1.298 1.694 ( -1.190 0.114 -0.506) 1.298 1.743 ( 3.295 -1.548 2.399) 4.360 1.743 ( 3.295 1.548 2.399) 4.360 1.756 ( 0.263 -0.719 -0.471) 0.899 1.756 ( 0.263 0.719 -0.471) 0.899 1.841 ( 0.139 -0.841 -0.534) 1.006 1.841 ( 0.139 0.841 -0.534) 1.006 1.883 ( -0.169 -0.472 -1.757) 1.827 1.883 ( -0.169 0.472 -1.757) 1.827 1.970 ( -1.974 -0.865 0.101) 2.158 1.970 ( -1.974 0.865 0.101) 2.158 2.017 ( 0.867 -0.824 1.128) 1.644 2.017 ( 0.867 0.824 1.128) 1.644 2.168 ( 1.115 -0.244 -0.174) 1.155 2.168 ( 1.115 0.244 -0.174) 1.155 2.199 ( -0.157 -1.315 -1.656) 2.120 2.199 ( -0.157 1.315 -1.656) 2.120 2.272 ( -1.044 -1.972 0.493) 2.285 2.272 ( -1.044 1.972 0.493) 2.285 2.318 ( 0.479 -1.874 1.456) 2.421 2.318 ( 0.479 1.874 1.456) 2.421 2.400 ( -0.534 -1.072 0.045) 1.199 2.400 ( -0.534 1.072 0.045) 1.199 2.472 ( -1.005 -3.301 -0.994) 3.591 2.472 ( -1.005 3.301 -0.994) 3.591 2.558 ( 3.111 -2.609 0.722) 4.124 2.558 ( 3.111 2.609 0.722) 4.124 2.657 ( 3.011 -2.320 0.019) 3.802 2.657 ( 3.011 2.320 0.019) 3.802 3.307 ( 1.121 -0.264 0.784) 1.393 3.307 ( 1.121 0.264 0.784) 1.393 3.373 ( 1.847 -0.753 -0.796) 2.147 3.373 ( 1.847 0.753 -0.796) 2.147 3.486 ( 0.169 -1.212 -0.545) 1.339 3.486 ( 0.169 1.212 -0.545) 1.339 3.723 ( 1.973 -1.082 2.264) 3.192 3.723 ( 1.973 1.082 2.264) 3.192 3.825 ( -0.289 -2.352 -1.169) 2.642 3.825 ( -0.289 2.352 -1.169) 2.642 3.980 ( 1.897 -2.203 -1.278) 3.176 3.980 ( 1.897 2.203 -1.278) 3.176 4.089 ( 3.759 -1.738 0.157) 4.144 4.089 ( 3.759 1.738 0.157) 4.144 4.194 ( 1.061 -2.550 1.929) 3.368 4.194 ( 1.061 2.550 1.929) 3.368 4.251 ( -0.663 -1.565 -0.924) 1.934 4.251 ( -0.663 1.565 -0.924) 1.934 4.402 ( -1.639 -0.627 -0.950) 1.996 4.402 ( -1.639 0.627 -0.950) 1.996 4.569 ( 1.478 -0.054 -0.453) 1.546 4.569 ( 1.478 0.054 -0.453) 1.546 4.614 ( 1.243 -1.720 1.168) 2.422 4.614 ( 1.243 1.720 1.168) 2.422 4.728 ( 2.474 -2.468 -0.426) 3.520 4.728 ( 2.474 2.468 -0.426) 3.520 5.100 ( -1.299 -3.674 -0.688) 3.957 5.100 ( -1.299 3.674 -0.688) 3.957 5.186 ( -0.780 -5.159 0.738) 5.269 5.186 ( -0.780 5.159 0.738) 5.269 5.231 ( 3.727 -5.822 0.435) 6.926 5.231 ( 3.727 5.822 0.435) 6.926 5.383 ( 0.535 -5.547 -1.178) 5.696 5.383 ( 0.535 5.547 -1.178) 5.696 5.444 ( 2.867 -0.936 1.353) 3.306 5.444 ( 2.867 0.936 1.353) 3.306 5.630 ( -2.456 -1.894 -0.197) 3.108 5.630 ( -2.456 1.894 -0.197) 3.108 5.733 ( -2.881 -0.881 -0.611) 3.074 5.733 ( -2.881 0.881 -0.611) 3.074 5.901 ( 0.567 -0.781 0.346) 1.025 5.901 ( 0.567 0.781 0.346) 1.025 5.926 ( -1.199 -1.146 -0.201) 1.671 5.926 ( -1.199 1.146 -0.201) 1.671 6.182 ( -1.806 -1.054 0.006) 2.091 6.182 ( -1.806 1.054 0.006) 2.091 6.266 ( 1.416 -0.529 0.919) 1.769 6.266 ( 1.416 0.529 0.919) 1.769 6.334 ( -0.199 -0.147 -0.419) 0.486 6.334 ( -0.199 0.147 -0.419) 0.486 6.415 ( 0.052 -1.642 -0.320) 1.674 6.415 ( 0.052 1.642 -0.320) 1.674 6.583 ( 0.703 -0.516 -0.074) 0.875 6.583 ( 0.703 0.516 -0.074) 0.875 6.665 ( 3.018 -2.174 -0.130) 3.722 6.665 ( 3.018 2.174 -0.130) 3.722 6.749 ( 0.614 -2.064 -0.017) 2.153 6.749 ( 0.614 2.064 -0.017) 2.153 6.844 ( 0.848 -0.443 0.043) 0.958 6.844 ( 0.848 0.443 0.043) 0.958 6.871 ( 0.236 -1.188 -0.112) 1.216 6.871 ( 0.236 1.188 -0.112) 1.216 6.930 ( -0.045 -0.539 0.275) 0.607 6.930 ( -0.045 0.539 0.275) 0.607 7.097 ( 1.410 -2.092 -0.173) 2.529 7.097 ( 1.410 2.092 -0.173) 2.529 7.127 ( -0.626 -1.610 0.406) 1.774 7.127 ( -0.626 1.610 0.406) 1.774 7.167 ( -0.252 -1.380 -0.396) 1.458 7.167 ( -0.252 1.380 -0.396) 1.458 7.232 ( -2.936 -4.897 0.365) 5.721 7.232 ( -2.936 4.897 0.365) 5.721 7.341 ( -0.778 -0.375 -0.065) 0.866 7.341 ( -0.778 0.375 -0.065) 0.866 7.435 ( 1.008 -1.941 -0.334) 2.212 7.435 ( 1.008 1.941 -0.334) 2.212 7.461 ( 0.200 -0.868 0.187) 0.910 7.461 ( 0.200 0.868 0.187) 0.910 7.593 ( 0.500 -0.930 0.173) 1.070 7.593 ( 0.500 0.930 0.173) 1.070 7.703 ( 1.052 -0.836 -0.163) 1.353 7.703 ( 1.052 0.836 -0.163) 1.353 7.777 ( -0.290 -0.106 -0.114) 0.329 7.777 ( -0.290 0.106 -0.114) 0.329 7.877 ( -0.199 -1.192 -0.043) 1.209 7.877 ( -0.199 1.192 -0.043) 1.209 7.917 ( -0.300 -2.614 0.454) 2.670 7.917 ( -0.300 2.614 0.454) 2.670 7.948 ( 0.031 -1.413 -0.232) 1.432 7.948 ( 0.031 1.413 -0.232) 1.432 8.015 ( -1.620 -0.156 0.179) 1.637 8.015 ( -1.620 0.156 0.179) 1.637 8.064 ( -0.902 -0.068 -0.690) 1.138 8.064 ( -0.902 0.068 -0.690) 1.138 8.124 ( -0.682 -1.118 1.048) 1.677 8.124 ( -0.682 1.118 1.048) 1.677 8.180 ( -1.261 -1.773 -0.544) 2.243 8.180 ( -1.261 1.773 -0.544) 2.243 8.391 ( -1.327 -0.984 0.001) 1.652 8.391 ( -1.327 0.984 0.001) 1.652 8.424 ( -1.880 -0.329 -0.007) 1.909 8.424 ( -1.880 0.329 -0.007) 1.909 10.225 ( -1.650 -0.155 0.019) 1.658 10.225 ( -1.650 0.155 0.019) 1.658 10.403 ( -0.395 -0.124 -0.206) 0.463 10.403 ( -0.395 0.124 -0.206) 0.463 10.418 ( -0.744 -0.190 0.173) 0.787 10.418 ( -0.744 0.190 0.173) 0.787 12.301 ( 0.088 -0.529 -0.025) 0.537 12.301 ( 0.088 0.529 -0.025) 0.537 12.375 ( -0.669 -0.356 0.003) 0.758 12.375 ( -0.669 0.356 0.003) 0.758 12.461 ( 0.479 -0.125 0.017) 0.495 12.461 ( 0.479 0.125 0.017) 0.495 14.616 ( 0.251 -0.051 0.001) 0.256 14.616 ( 0.251 0.051 0.001) 0.256 14.958 ( -0.555 -0.501 -0.130) 0.759 14.958 ( -0.555 0.501 -0.130) 0.759 14.992 ( -0.342 -0.449 0.158) 0.586 14.992 ( -0.342 0.449 0.158) 0.586 15.659 ( 0.671 -0.868 -0.060) 1.099 15.659 ( 0.671 0.868 -0.060) 1.099 15.709 ( -0.071 -1.634 -0.013) 1.635 15.709 ( -0.071 1.634 -0.013) 1.635 15.956 ( 1.031 -0.772 0.036) 1.289 15.956 ( 1.031 0.772 0.036) 1.289 16.117 ( 0.979 -1.215 -0.004) 1.560 16.117 ( 0.979 1.215 -0.004) 1.560 16.242 ( 1.838 -1.607 0.186) 2.449 16.242 ( 1.838 1.607 0.186) 2.449 16.269 ( 0.384 -3.143 -0.181) 3.171 16.269 ( 0.384 3.143 -0.181) 3.171 16.357 ( -0.377 -1.748 -0.421) 1.837 16.357 ( -0.377 1.748 -0.421) 1.837 16.420 ( 2.717 -0.275 0.783) 2.841 16.420 ( 2.717 0.275 0.783) 2.841 16.557 ( -0.176 -2.484 -1.381) 2.848 16.557 ( -0.176 2.484 -1.381) 2.848 16.613 ( -2.025 -2.423 1.163) 3.365 16.613 ( -2.025 2.423 1.163) 3.365 16.849 ( -0.504 -1.929 -0.147) 1.999 16.849 ( -0.504 1.929 -0.147) 1.999 17.328 ( 4.295 -0.114 -0.030) 4.296 17.328 ( 4.295 0.114 -0.030) 4.296 ======================= Grid point 69 (36/39) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.024 -1.268 0.347) 1.315 0.589 ( 0.024 1.268 0.347) 1.315 0.656 ( 0.308 -0.819 -1.241) 1.519 0.656 ( 0.308 0.819 -1.241) 1.519 0.738 ( 0.015 -0.430 2.149) 2.192 0.738 ( 0.015 0.430 2.149) 2.192 0.862 ( -0.184 -0.448 -2.042) 2.098 0.862 ( -0.184 0.448 -2.042) 2.098 0.881 ( 0.337 -1.792 1.273) 2.224 0.881 ( 0.337 1.792 1.273) 2.224 0.913 ( -0.515 -2.427 -2.078) 3.236 0.913 ( -0.515 2.427 -2.078) 3.236 0.965 ( 0.714 -0.855 1.828) 2.140 0.965 ( 0.714 0.855 1.828) 2.140 1.010 ( -0.234 -1.338 -1.628) 2.120 1.010 ( -0.234 1.338 -1.628) 2.120 1.049 ( 0.039 -0.915 0.423) 1.009 1.049 ( 0.039 0.915 0.423) 1.009 1.117 ( 0.394 -0.890 0.533) 1.110 1.117 ( 0.394 0.890 0.533) 1.110 1.153 ( -0.425 -0.900 -1.140) 1.513 1.153 ( -0.425 0.900 -1.140) 1.513 1.227 ( 0.411 -0.142 1.322) 1.391 1.227 ( 0.411 0.142 1.322) 1.391 1.264 ( -0.688 -0.605 -0.503) 1.045 1.264 ( -0.688 0.605 -0.503) 1.045 1.349 ( 1.258 -0.785 0.379) 1.530 1.349 ( 1.258 0.785 0.379) 1.530 1.365 ( -0.876 -0.329 0.028) 0.937 1.365 ( -0.876 0.329 0.028) 0.937 1.394 ( -0.031 -1.052 1.300) 1.673 1.394 ( -0.031 1.052 1.300) 1.673 1.448 ( 0.001 -0.478 0.210) 0.522 1.448 ( 0.001 0.478 0.210) 0.522 1.486 ( -0.234 -0.953 -1.155) 1.516 1.486 ( -0.234 0.953 -1.155) 1.516 1.551 ( 0.942 -0.897 0.079) 1.304 1.551 ( 0.942 0.897 0.079) 1.304 1.563 ( -0.463 -0.649 0.035) 0.798 1.563 ( -0.463 0.649 0.035) 0.798 1.611 ( -0.041 -0.391 -0.953) 1.031 1.611 ( -0.041 0.391 -0.953) 1.031 1.690 ( 0.156 -0.356 1.161) 1.224 1.690 ( 0.156 0.356 1.161) 1.224 1.725 ( -2.135 -0.419 -1.156) 2.464 1.725 ( -2.135 0.419 -1.156) 2.464 1.800 ( 1.665 -0.482 -0.513) 1.808 1.800 ( 1.665 0.482 -0.513) 1.808 1.849 ( 0.567 -2.120 0.787) 2.331 1.849 ( 0.567 2.120 0.787) 2.331 1.876 ( 0.088 -0.614 -0.791) 1.005 1.876 ( 0.088 0.614 -0.791) 1.005 1.939 ( -1.635 -1.407 1.357) 2.549 1.939 ( -1.635 1.407 1.357) 2.549 2.022 ( 0.584 -1.250 -0.119) 1.385 2.022 ( 0.584 1.250 -0.119) 1.385 2.159 ( -0.546 -0.194 -0.709) 0.916 2.159 ( -0.546 0.194 -0.709) 0.916 2.208 ( 0.594 -1.559 -1.063) 1.978 2.208 ( 0.594 1.559 -1.063) 1.978 2.280 ( 2.201 -1.957 2.300) 3.737 2.280 ( 2.201 1.957 2.300) 3.737 2.309 ( -2.204 -2.142 -0.322) 3.090 2.309 ( -2.204 2.142 -0.322) 3.090 2.405 ( 0.538 -2.148 0.192) 2.222 2.405 ( 0.538 2.148 0.192) 2.222 2.453 ( -0.524 -3.400 -0.877) 3.550 2.453 ( -0.524 3.400 -0.877) 3.550 2.602 ( 0.210 -0.489 0.348) 0.635 2.602 ( 0.210 0.489 0.348) 0.635 2.691 ( -0.119 -0.069 0.099) 0.169 2.691 ( -0.119 0.069 0.099) 0.169 3.319 ( -0.217 -0.515 0.747) 0.933 3.319 ( -0.217 0.515 0.747) 0.933 3.403 ( 1.063 -1.100 -0.056) 1.530 3.403 ( 1.063 1.100 -0.056) 1.530 3.474 ( -0.938 -0.538 -1.401) 1.769 3.474 ( -0.938 0.538 -1.401) 1.769 3.759 ( 0.300 -2.591 3.338) 4.236 3.759 ( 0.300 2.591 3.338) 4.236 3.815 ( -0.387 -1.897 -1.590) 2.505 3.815 ( -0.387 1.897 -1.590) 2.505 4.005 ( 0.060 -0.258 -1.933) 1.951 4.005 ( 0.060 0.258 -1.933) 1.951 4.115 ( 0.062 -0.609 0.460) 0.766 4.115 ( 0.062 0.609 0.460) 0.766 4.209 ( -1.135 -2.590 2.483) 3.763 4.209 ( -1.135 2.590 2.483) 3.763 4.243 ( 1.331 -3.113 -1.178) 3.585 4.243 ( 1.331 3.113 -1.178) 3.585 4.386 ( 0.907 -0.375 -3.388) 3.528 4.386 ( 0.907 0.375 -3.388) 3.528 4.566 ( -1.088 -0.515 2.917) 3.156 4.566 ( -1.088 0.515 2.917) 3.156 4.646 ( -0.063 -1.687 0.468) 1.752 4.646 ( -0.063 1.687 0.468) 1.752 4.754 ( -0.059 -0.331 -0.997) 1.052 4.754 ( -0.059 0.331 -0.997) 1.052 5.088 ( 0.220 -1.430 -0.404) 1.502 5.088 ( 0.220 1.430 -0.404) 1.502 5.168 ( -0.109 -2.434 0.621) 2.514 5.168 ( -0.109 2.434 0.621) 2.514 5.280 ( -0.095 -2.005 0.171) 2.015 5.280 ( -0.095 2.005 0.171) 2.015 5.366 ( -0.446 -1.995 -1.073) 2.309 5.366 ( -0.446 1.995 -1.073) 2.309 5.515 ( 3.412 -1.889 3.748) 5.409 5.515 ( 3.412 1.889 3.748) 5.409 5.579 ( -3.055 -2.503 -3.052) 4.991 5.579 ( -3.055 2.503 -3.052) 4.991 5.709 ( 0.199 -0.109 -0.372) 0.436 5.709 ( 0.199 0.109 -0.372) 0.436 5.902 ( 0.241 -0.370 0.723) 0.848 5.902 ( 0.241 0.370 0.723) 0.848 5.914 ( -0.223 -0.451 -0.558) 0.751 5.914 ( -0.223 0.451 -0.558) 0.751 6.162 ( 0.030 -0.655 -0.088) 0.662 6.162 ( 0.030 0.655 -0.088) 0.662 6.290 ( 0.644 -0.549 1.967) 2.142 6.290 ( 0.644 0.549 1.967) 2.142 6.324 ( -0.490 -0.822 -1.384) 1.683 6.324 ( -0.490 0.822 -1.384) 1.683 6.415 ( -0.126 -0.341 -0.209) 0.420 6.415 ( -0.126 0.341 -0.209) 0.420 6.589 ( -0.049 -0.087 -0.177) 0.203 6.589 ( -0.049 0.087 -0.177) 0.203 6.697 ( 0.087 -0.880 -0.154) 0.898 6.697 ( 0.087 0.880 -0.154) 0.898 6.753 ( -0.026 -0.464 -0.093) 0.474 6.753 ( -0.026 0.464 -0.093) 0.474 6.860 ( -0.006 -0.796 0.314) 0.856 6.860 ( -0.006 0.796 0.314) 0.856 6.872 ( -0.099 -0.619 -0.121) 0.639 6.872 ( -0.099 0.619 -0.121) 0.639 6.930 ( 0.074 -0.292 0.205) 0.365 6.930 ( 0.074 0.292 0.205) 0.365 7.111 ( -0.217 -1.394 0.433) 1.476 7.111 ( -0.217 1.394 0.433) 1.476 7.126 ( 0.476 -1.751 -0.982) 2.063 7.126 ( 0.476 1.751 -0.982) 2.063 7.172 ( -0.906 -2.573 0.415) 2.759 7.172 ( -0.906 2.573 0.415) 2.759 7.190 ( 0.705 -2.681 0.378) 2.797 7.190 ( 0.705 2.681 0.378) 2.797 7.331 ( -0.046 -0.296 -0.114) 0.320 7.331 ( -0.046 0.296 -0.114) 0.320 7.448 ( -0.109 -0.219 -0.030) 0.247 7.448 ( -0.109 0.219 -0.030) 0.247 7.463 ( 0.166 -0.438 -0.243) 0.528 7.463 ( 0.166 0.438 -0.243) 0.528 7.597 ( -0.044 -0.430 0.325) 0.541 7.597 ( -0.044 0.430 0.325) 0.541 7.716 ( 0.008 -0.065 -0.292) 0.299 7.716 ( 0.008 0.065 -0.292) 0.299 7.771 ( 0.037 -0.107 -0.118) 0.163 7.771 ( 0.037 0.107 -0.118) 0.163 7.873 ( -0.049 -0.791 -0.023) 0.793 7.873 ( -0.049 0.791 -0.023) 0.793 7.917 ( 0.076 -1.001 0.541) 1.140 7.917 ( 0.076 1.001 0.541) 1.140 7.949 ( -0.006 -0.360 -0.440) 0.569 7.949 ( -0.006 0.360 -0.440) 0.569 7.999 ( -0.011 -0.203 0.299) 0.361 7.999 ( -0.011 0.203 0.299) 0.361 8.047 ( -0.267 -0.296 -0.455) 0.605 8.047 ( -0.267 0.296 -0.455) 0.605 8.124 ( 0.514 -0.706 0.995) 1.323 8.124 ( 0.514 0.706 0.995) 1.323 8.163 ( -0.291 -0.951 -0.696) 1.214 8.163 ( -0.291 0.951 -0.696) 1.214 8.378 ( 0.006 -0.024 0.005) 0.025 8.378 ( 0.006 0.024 0.005) 0.025 8.404 ( -0.007 -0.164 -0.013) 0.165 8.404 ( -0.007 0.164 -0.013) 0.165 10.208 ( -0.007 -0.010 -0.001) 0.013 10.208 ( -0.007 0.010 -0.001) 0.013 10.402 ( 0.208 -0.099 0.096) 0.250 10.402 ( 0.208 0.099 0.096) 0.250 10.407 ( -0.205 -0.074 -0.101) 0.240 10.407 ( -0.205 0.074 -0.101) 0.240 12.302 ( -0.050 -0.879 0.068) 0.883 12.302 ( -0.050 0.879 0.068) 0.883 12.369 ( 0.081 -1.398 -0.125) 1.406 12.369 ( 0.081 1.398 -0.125) 1.406 12.466 ( -0.033 -0.631 0.054) 0.634 12.466 ( -0.033 0.631 0.054) 0.634 14.618 ( 0.001 -0.056 -0.003) 0.056 14.618 ( 0.001 0.056 -0.003) 0.056 14.952 ( -0.015 -0.631 -0.092) 0.638 14.952 ( -0.015 0.631 -0.092) 0.638 14.988 ( 0.015 -0.520 0.120) 0.534 14.988 ( 0.015 0.520 0.120) 0.534 15.672 ( 0.469 -0.570 0.431) 0.855 15.672 ( 0.469 0.570 0.431) 0.855 15.702 ( -0.464 -0.812 -0.512) 1.067 15.702 ( -0.464 0.812 -0.512) 1.067 15.966 ( -0.046 -0.223 0.111) 0.253 15.966 ( -0.046 0.223 0.111) 0.253 16.127 ( 0.069 -0.243 -0.136) 0.287 16.127 ( 0.069 0.243 -0.136) 0.287 16.256 ( -0.515 -1.609 0.475) 1.755 16.256 ( -0.515 1.609 0.475) 1.755 16.279 ( 0.644 -2.249 -0.574) 2.409 16.279 ( 0.644 2.249 -0.574) 2.409 16.345 ( -0.295 -0.514 0.200) 0.626 16.345 ( -0.295 0.514 0.200) 0.626 16.453 ( 0.468 -0.243 -0.204) 0.566 16.453 ( 0.468 0.243 -0.204) 0.566 16.549 ( -0.814 -0.272 0.458) 0.973 16.549 ( -0.814 0.272 0.458) 0.973 16.600 ( 0.500 -0.646 -0.243) 0.852 16.600 ( 0.500 0.646 -0.243) 0.852 16.845 ( -0.016 -0.257 -0.032) 0.260 16.845 ( -0.016 0.257 -0.032) 0.260 17.371 ( 0.002 -0.138 -0.010) 0.139 17.371 ( 0.002 0.138 -0.010) 0.139 ======================= Grid point 71 (37/39) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.635 -1.179 0.183) 1.351 0.594 ( 0.635 1.179 0.183) 1.351 0.659 ( 0.218 -1.284 -1.526) 2.006 0.659 ( 0.218 1.284 -1.526) 2.006 0.749 ( 0.848 -0.868 2.706) 2.966 0.749 ( 0.848 0.868 2.706) 2.966 0.830 ( -2.316 -0.945 -1.660) 3.002 0.830 ( -2.316 0.945 -1.660) 3.002 0.898 ( 0.273 -1.851 -0.558) 1.953 0.898 ( 0.273 1.851 -0.558) 1.953 0.913 ( 0.305 -1.275 0.122) 1.317 0.913 ( 0.305 1.275 0.122) 1.317 0.950 ( -2.537 -0.896 -1.080) 2.899 0.950 ( -2.537 0.896 -1.080) 2.899 0.982 ( -2.311 -1.493 1.626) 3.196 0.982 ( -2.311 1.493 1.626) 3.196 1.038 ( 0.011 -0.977 -0.643) 1.169 1.038 ( 0.011 0.977 -0.643) 1.169 1.129 ( 0.542 -0.726 -0.551) 1.060 1.129 ( 0.542 0.726 -0.551) 1.060 1.150 ( -0.975 -1.398 0.343) 1.739 1.150 ( -0.975 1.398 0.343) 1.739 1.218 ( -1.221 -0.493 -0.166) 1.328 1.218 ( -1.221 0.493 -0.166) 1.328 1.246 ( -0.843 -0.281 0.562) 1.052 1.246 ( -0.843 0.281 0.562) 1.052 1.284 ( -3.756 -1.698 -0.359) 4.138 1.284 ( -3.756 1.698 -0.359) 4.138 1.357 ( -0.530 -1.326 0.233) 1.447 1.357 ( -0.530 1.326 0.233) 1.447 1.419 ( 0.159 -1.854 1.807) 2.594 1.419 ( 0.159 1.854 1.807) 2.594 1.440 ( -1.117 -1.168 -0.366) 1.657 1.440 ( -1.117 1.168 -0.366) 1.657 1.483 ( 0.105 -0.481 -1.149) 1.250 1.483 ( 0.105 0.481 -1.149) 1.250 1.530 ( -1.376 -2.246 -1.117) 2.861 1.530 ( -1.376 2.246 -1.117) 2.861 1.554 ( -1.492 -0.581 0.095) 1.604 1.554 ( -1.492 0.581 0.095) 1.604 1.630 ( 1.301 -0.747 0.124) 1.505 1.630 ( 1.301 0.747 0.124) 1.505 1.681 ( -0.483 -0.756 0.566) 1.060 1.681 ( -0.483 0.756 0.566) 1.060 1.719 ( 0.621 -0.601 2.450) 2.598 1.719 ( 0.621 0.601 2.450) 2.598 1.797 ( -1.587 -0.908 -2.220) 2.876 1.797 ( -1.587 0.908 -2.220) 2.876 1.822 ( -3.821 -1.165 0.666) 4.050 1.822 ( -3.821 1.165 0.666) 4.050 1.884 ( 0.682 -0.929 -1.114) 1.603 1.884 ( 0.682 0.929 -1.114) 1.603 1.948 ( 2.693 -1.119 1.576) 3.315 1.948 ( 2.693 1.119 1.576) 3.315 2.042 ( 0.482 -0.740 -0.812) 1.200 2.042 ( 0.482 0.740 -0.812) 1.200 2.166 ( 0.998 -2.126 0.709) 2.454 2.166 ( 0.998 2.126 0.709) 2.454 2.199 ( -2.750 -1.950 -2.253) 4.055 2.199 ( -2.750 1.950 -2.253) 4.055 2.275 ( 1.195 -0.528 0.426) 1.374 2.275 ( 1.195 0.528 0.426) 1.374 2.323 ( -0.165 -3.273 0.931) 3.407 2.323 ( -0.165 3.273 0.931) 3.407 2.402 ( 0.373 -2.530 -0.023) 2.557 2.402 ( 0.373 2.530 -0.023) 2.557 2.458 ( 0.745 -2.731 0.041) 2.831 2.458 ( 0.745 2.731 0.041) 2.831 2.566 ( -2.713 -3.197 0.040) 4.193 2.566 ( -2.713 3.197 0.040) 4.193 2.654 ( -3.063 -2.243 0.206) 3.802 2.654 ( -3.063 2.243 0.206) 3.802 3.301 ( -1.364 -0.761 0.947) 1.827 3.301 ( -1.364 0.761 0.947) 1.827 3.393 ( -2.005 -0.720 -2.280) 3.120 3.393 ( -2.005 0.720 -2.280) 3.120 3.468 ( 0.413 -1.277 0.981) 1.662 3.468 ( 0.413 1.277 0.981) 1.662 3.741 ( -1.395 -1.089 1.699) 2.454 3.741 ( -1.395 1.089 1.699) 2.454 3.799 ( -1.434 -0.430 -0.216) 1.512 3.799 ( -1.434 0.430 -0.216) 1.512 3.989 ( -0.651 -1.742 -1.859) 2.629 3.989 ( -0.651 1.742 -1.859) 2.629 4.083 ( -4.170 -1.414 0.627) 4.448 4.083 ( -4.170 1.414 0.627) 4.448 4.187 ( -0.907 -1.902 1.610) 2.652 4.187 ( -0.907 1.902 1.610) 2.652 4.277 ( 1.646 -1.878 -1.798) 3.077 4.277 ( 1.646 1.878 -1.798) 3.077 4.421 ( 2.045 -0.932 -3.350) 4.034 4.421 ( 2.045 0.932 -3.350) 4.034 4.536 ( -2.316 -1.107 3.051) 3.987 4.536 ( -2.316 1.107 3.051) 3.987 4.612 ( -2.108 -0.479 0.960) 2.365 4.612 ( -2.108 0.479 0.960) 2.365 4.727 ( -2.239 -1.714 -0.353) 2.842 4.727 ( -2.239 1.714 -0.353) 2.842 5.096 ( 0.731 -0.966 -0.299) 1.248 5.096 ( 0.731 0.966 -0.299) 1.248 5.189 ( 0.694 -3.962 0.410) 4.043 5.189 ( 0.694 3.962 0.410) 4.043 5.233 ( -3.218 -3.531 0.343) 4.790 5.233 ( -3.218 3.531 0.343) 4.790 5.362 ( -1.125 -3.356 0.354) 3.557 5.362 ( -1.125 3.356 0.354) 3.557 5.510 ( -2.838 -1.815 -4.865) 5.918 5.510 ( -2.838 1.815 -4.865) 5.918 5.583 ( 3.116 -2.720 4.460) 6.083 5.583 ( 3.116 2.720 4.460) 6.083 5.735 ( 2.928 -0.559 -0.663) 3.053 5.735 ( 2.928 0.559 -0.663) 3.053 5.910 ( -0.421 -0.776 -0.230) 0.913 5.910 ( -0.421 0.776 -0.230) 0.913 5.919 ( 1.067 -0.344 0.323) 1.166 5.919 ( 1.067 0.344 0.323) 1.166 6.182 ( 1.768 -0.362 -0.003) 1.805 6.182 ( 1.768 0.362 -0.003) 1.805 6.283 ( -1.310 -0.334 -0.141) 1.359 6.283 ( -1.310 0.334 -0.141) 1.359 6.324 ( 0.380 -0.577 0.182) 0.714 6.324 ( 0.380 0.577 0.182) 0.714 6.411 ( -0.213 -1.015 -0.030) 1.037 6.411 ( -0.213 1.015 -0.030) 1.037 6.582 ( -0.628 -0.460 0.002) 0.778 6.582 ( -0.628 0.460 0.002) 0.778 6.665 ( -3.127 -1.909 -0.165) 3.667 6.665 ( -3.127 1.909 -0.165) 3.667 6.749 ( -0.605 -1.914 0.001) 2.007 6.749 ( -0.605 1.914 0.001) 2.007 6.846 ( -0.695 -0.093 -0.094) 0.708 6.846 ( -0.695 0.093 -0.094) 0.708 6.867 ( -0.455 -1.056 0.221) 1.171 6.867 ( -0.455 1.056 0.221) 1.171 6.933 ( 0.031 -0.505 0.113) 0.519 6.933 ( 0.031 0.505 0.113) 0.519 7.097 ( -1.054 -1.461 -0.149) 1.807 7.097 ( -1.054 1.461 -0.149) 1.807 7.136 ( 0.541 -1.799 -0.292) 1.901 7.136 ( 0.541 1.799 -0.292) 1.901 7.157 ( 0.173 -2.272 0.466) 2.325 7.157 ( 0.173 2.272 0.466) 2.325 7.236 ( 2.837 -5.377 0.009) 6.080 7.236 ( 2.837 5.377 0.009) 6.080 7.340 ( 0.797 -0.336 0.009) 0.865 7.340 ( 0.797 0.336 0.009) 0.865 7.432 ( -1.064 -1.613 -0.104) 1.935 7.432 ( -1.064 1.613 -0.104) 1.935 7.466 ( -0.075 -0.959 -0.145) 0.972 7.466 ( -0.075 0.959 -0.145) 0.972 7.591 ( -0.581 -0.614 0.259) 0.884 7.591 ( -0.581 0.614 0.259) 0.884 7.703 ( -1.022 -0.806 -0.162) 1.312 7.703 ( -1.022 0.806 -0.162) 1.312 7.777 ( 0.281 -0.111 -0.149) 0.337 7.777 ( 0.281 0.111 -0.149) 0.337 7.875 ( 0.175 -0.186 0.083) 0.268 7.875 ( 0.175 0.186 0.083) 0.268 7.922 ( 0.482 -1.501 0.152) 1.584 7.922 ( 0.482 1.501 0.152) 1.584 7.945 ( -0.218 -0.935 -0.057) 0.962 7.945 ( -0.218 0.935 -0.057) 0.962 8.016 ( 1.745 -0.290 0.090) 1.771 8.016 ( 1.745 0.290 0.090) 1.771 8.054 ( 0.587 -0.496 0.065) 0.771 8.054 ( 0.587 0.496 0.065) 0.771 8.143 ( 1.321 -1.386 -0.184) 1.924 8.143 ( 1.321 1.386 -0.184) 1.924 8.169 ( 0.860 -1.110 0.043) 1.405 8.169 ( 0.860 1.110 0.043) 1.405 8.391 ( 1.315 -1.025 0.001) 1.667 8.391 ( 1.315 1.025 0.001) 1.667 8.424 ( 1.882 -0.308 0.001) 1.907 8.424 ( 1.882 0.308 0.001) 1.907 10.225 ( 1.667 -0.489 0.023) 1.738 10.225 ( 1.667 0.489 0.023) 1.738 10.403 ( 0.156 -0.237 -0.195) 0.344 10.403 ( 0.156 0.237 -0.195) 0.344 10.418 ( 0.954 -0.347 0.172) 1.030 10.418 ( 0.954 0.347 0.172) 1.030 12.300 ( -0.146 -1.388 0.077) 1.398 12.300 ( -0.146 1.388 0.077) 1.398 12.378 ( 0.782 -2.433 -0.172) 2.562 12.378 ( 0.782 2.433 -0.172) 2.562 12.460 ( -0.537 -1.186 0.097) 1.306 12.460 ( -0.537 1.186 0.097) 1.306 14.616 ( -0.248 -0.072 -0.002) 0.258 14.616 ( -0.248 0.072 -0.002) 0.258 14.957 ( 0.542 -0.742 -0.077) 0.922 14.957 ( 0.542 0.742 -0.077) 0.922 14.992 ( 0.359 -0.577 0.100) 0.687 14.992 ( 0.359 0.577 0.100) 0.687 15.668 ( -0.956 -0.852 -0.780) 1.500 15.668 ( -0.956 0.852 -0.780) 1.500 15.700 ( 0.348 -1.089 0.715) 1.348 15.700 ( 0.348 1.089 0.715) 1.348 15.955 ( -1.099 -0.483 0.131) 1.207 15.955 ( -1.099 0.483 0.131) 1.207 16.119 ( -0.936 -1.231 -0.124) 1.551 16.119 ( -0.936 1.231 -0.124) 1.551 16.238 ( -1.314 -1.827 0.377) 2.282 16.238 ( -1.314 1.827 0.377) 2.282 16.275 ( -0.995 -2.700 -0.467) 2.915 16.275 ( -0.995 2.700 -0.467) 2.915 16.351 ( 0.407 -1.387 0.059) 1.447 16.351 ( 0.407 1.387 0.059) 1.447 16.432 ( -2.683 -1.320 -0.054) 2.990 16.432 ( -2.683 1.320 -0.054) 2.990 16.537 ( 0.033 -1.407 0.179) 1.418 16.537 ( 0.033 1.407 0.179) 1.418 16.626 ( 2.290 -2.328 0.008) 3.265 16.626 ( 2.290 2.328 0.008) 3.265 16.848 ( 0.405 -1.828 -0.067) 1.873 16.848 ( 0.405 1.828 -0.067) 1.873 17.328 ( -4.274 -0.533 -0.039) 4.307 17.328 ( -4.274 0.533 -0.039) 4.307 ======================= Grid point 73 (38/39) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.103 -0.799 0.124) 1.367 0.616 ( 1.103 0.799 0.124) 1.367 0.663 ( 0.332 -1.842 -1.150) 2.197 0.663 ( 0.332 1.842 -1.150) 2.197 0.735 ( -3.952 -2.712 2.995) 5.651 0.735 ( -3.952 2.712 2.995) 5.651 0.797 ( -0.275 -1.354 -0.153) 1.390 0.797 ( -0.275 1.354 -0.153) 1.390 0.848 ( -3.053 -0.954 -2.293) 3.936 0.848 ( -3.053 0.954 -2.293) 3.936 0.906 ( -0.446 -0.982 -0.803) 1.345 0.906 ( -0.446 0.982 -0.803) 1.345 0.931 ( -0.718 -0.907 0.824) 1.420 0.931 ( -0.718 0.907 0.824) 1.420 0.948 ( -0.371 -2.380 2.305) 3.333 0.948 ( -0.371 2.380 2.305) 3.333 1.044 ( -0.028 -1.992 -1.012) 2.235 1.044 ( -0.028 1.992 -1.012) 2.235 1.097 ( -2.992 -1.547 -1.376) 3.639 1.097 ( -2.992 1.547 -1.376) 3.639 1.146 ( 0.766 -0.400 0.493) 0.995 1.146 ( 0.766 0.400 0.493) 0.995 1.191 ( -2.222 -2.042 0.086) 3.019 1.191 ( -2.222 2.042 0.086) 3.019 1.210 ( -1.655 -1.624 0.155) 2.324 1.210 ( -1.655 1.624 0.155) 2.324 1.247 ( -0.973 -2.300 -0.232) 2.508 1.247 ( -0.973 2.300 -0.232) 2.508 1.362 ( -0.464 -0.966 -0.087) 1.075 1.362 ( -0.464 0.966 -0.087) 1.075 1.388 ( -2.766 -1.193 -0.075) 3.014 1.388 ( -2.766 1.193 -0.075) 3.014 1.396 ( -2.638 -0.788 0.533) 2.805 1.396 ( -2.638 0.788 0.533) 2.805 1.459 ( -0.736 -0.441 -1.117) 1.408 1.459 ( -0.736 0.441 -1.117) 1.408 1.520 ( 0.290 -0.932 0.048) 0.977 1.520 ( 0.290 0.932 0.048) 0.977 1.560 ( 0.234 -1.263 0.800) 1.513 1.560 ( 0.234 1.263 0.800) 1.513 1.625 ( -2.839 -1.173 0.602) 3.130 1.625 ( -2.839 1.173 0.602) 3.130 1.676 ( -2.026 -1.688 2.915) 3.931 1.676 ( -2.026 1.688 2.915) 3.931 1.696 ( -3.529 -0.291 -0.317) 3.556 1.696 ( -3.529 0.291 -0.317) 3.556 1.711 ( -3.130 -1.812 -1.195) 3.808 1.711 ( -3.130 1.812 -1.195) 3.808 1.790 ( 0.569 -1.529 -0.353) 1.669 1.790 ( 0.569 1.529 -0.353) 1.669 1.899 ( 0.701 -0.332 -1.175) 1.408 1.899 ( 0.701 0.332 -1.175) 1.408 1.954 ( -3.063 -1.415 -0.471) 3.407 1.954 ( -3.063 1.415 -0.471) 3.407 2.070 ( 1.646 -1.858 -0.206) 2.491 2.070 ( 1.646 1.858 -0.206) 2.491 2.107 ( -4.492 -2.758 -0.935) 5.354 2.107 ( -4.492 2.758 -0.935) 5.354 2.160 ( -1.785 -1.607 0.914) 2.570 2.160 ( -1.785 1.607 0.914) 2.570 2.274 ( -1.279 -0.544 -0.432) 1.455 2.274 ( -1.279 0.544 -0.432) 1.455 2.356 ( 4.069 -2.554 0.543) 4.835 2.356 ( 4.069 2.554 0.543) 4.835 2.433 ( 1.632 -0.975 -0.489) 1.963 2.433 ( 1.632 0.975 -0.489) 1.963 2.469 ( 0.575 -3.323 0.644) 3.434 2.469 ( 0.575 3.323 0.644) 3.434 2.544 ( 0.841 -2.571 0.042) 2.705 2.544 ( 0.841 2.571 0.042) 2.705 2.612 ( -0.637 -3.398 0.145) 3.461 2.612 ( -0.637 3.398 0.145) 3.461 3.284 ( -0.396 -0.207 1.209) 1.289 3.284 ( -0.396 0.207 1.209) 1.289 3.339 ( -2.280 -2.139 -2.034) 3.730 3.339 ( -2.280 2.139 -2.034) 3.730 3.488 ( 1.427 -1.670 0.471) 2.246 3.488 ( 1.427 1.670 0.471) 2.246 3.727 ( -0.717 -0.706 0.950) 1.384 3.727 ( -0.717 0.706 0.950) 1.384 3.769 ( -0.921 -0.432 0.084) 1.021 3.769 ( -0.921 0.432 0.084) 1.021 3.954 ( -5.605 -3.087 1.117) 6.496 3.954 ( -5.605 3.087 1.117) 6.496 3.997 ( -1.035 -1.284 -1.936) 2.543 3.997 ( -1.035 1.284 -1.936) 2.543 4.161 ( -1.983 -2.167 2.035) 3.573 4.161 ( -1.983 2.167 2.035) 3.573 4.265 ( -2.762 -1.910 -3.261) 4.681 4.265 ( -2.762 1.910 -3.261) 4.681 4.449 ( 2.240 -2.039 -0.422) 3.058 4.449 ( 2.240 2.039 -0.422) 3.058 4.525 ( -0.692 -1.856 -0.126) 1.985 4.525 ( -0.692 1.856 -0.126) 1.985 4.577 ( -1.165 -1.239 1.172) 2.066 4.577 ( -1.165 1.239 1.172) 2.066 4.683 ( -1.865 -0.770 0.747) 2.152 4.683 ( -1.865 0.770 0.747) 2.152 5.078 ( -5.722 -3.749 -0.045) 6.841 5.078 ( -5.722 3.749 -0.045) 6.841 5.145 ( -0.181 -0.156 0.552) 0.602 5.145 ( -0.181 0.156 0.552) 0.602 5.229 ( 0.420 -2.914 0.432) 2.976 5.229 ( 0.420 2.914 0.432) 2.976 5.317 ( -2.822 -2.252 1.622) 3.958 5.317 ( -2.822 2.252 1.622) 3.958 5.459 ( -1.785 -0.122 -6.225) 6.477 5.459 ( -1.785 0.122 -6.225) 6.477 5.647 ( 2.791 -3.399 4.392) 6.216 5.647 ( 2.791 3.399 4.392) 6.216 5.832 ( 4.576 -1.228 -0.018) 4.738 5.832 ( 4.576 1.228 -0.018) 4.738 5.892 ( 0.827 -2.341 -1.421) 2.861 5.892 ( 0.827 2.341 -1.421) 2.861 5.935 ( 0.524 -1.452 0.920) 1.797 5.935 ( 0.524 1.452 0.920) 1.797 6.221 ( 1.991 -0.721 -0.038) 2.118 6.221 ( 1.991 0.721 -0.038) 2.118 6.254 ( -1.193 -0.235 -1.206) 1.713 6.254 ( -1.193 0.235 -1.206) 1.713 6.332 ( 0.385 -0.505 0.801) 1.022 6.332 ( 0.385 0.505 0.801) 1.022 6.405 ( -0.502 -1.709 -0.024) 1.781 6.405 ( -0.502 1.709 -0.024) 1.781 6.560 ( -2.084 -1.205 0.200) 2.416 6.560 ( -2.084 1.205 0.200) 2.416 6.598 ( -2.838 -0.342 -0.030) 2.859 6.598 ( -2.838 0.342 -0.030) 2.859 6.722 ( -2.241 -1.228 -0.015) 2.556 6.722 ( -2.241 1.228 -0.015) 2.556 6.842 ( 0.301 -0.086 -0.161) 0.352 6.842 ( 0.301 0.086 -0.161) 0.352 6.864 ( 0.318 -0.803 0.212) 0.889 6.864 ( 0.318 0.803 0.212) 0.889 6.929 ( -0.354 -0.586 0.164) 0.704 6.929 ( -0.354 0.586 0.164) 0.704 7.086 ( -0.062 -1.276 -0.343) 1.323 7.086 ( -0.062 1.276 -0.343) 1.323 7.146 ( 0.672 -1.314 -0.329) 1.513 7.146 ( 0.672 1.314 -0.329) 1.513 7.167 ( 0.615 -1.309 0.486) 1.526 7.167 ( 0.615 1.309 0.486) 1.526 7.288 ( 2.248 -3.918 0.029) 4.518 7.288 ( 2.248 3.918 0.029) 4.518 7.352 ( 0.304 -0.861 -0.102) 0.919 7.352 ( 0.304 0.861 -0.102) 0.919 7.417 ( -0.495 -1.467 -0.099) 1.551 7.417 ( -0.495 1.467 -0.099) 1.551 7.459 ( -0.499 -0.184 0.042) 0.533 7.459 ( -0.499 0.184 0.042) 0.533 7.577 ( -0.734 -0.603 0.151) 0.962 7.577 ( -0.734 0.603 0.151) 0.962 7.687 ( -0.504 -0.869 -0.079) 1.007 7.687 ( -0.504 0.869 -0.079) 1.007 7.775 ( -0.439 -0.331 -0.032) 0.551 7.775 ( -0.439 0.331 -0.032) 0.551 7.872 ( -0.671 -0.160 0.092) 0.696 7.872 ( -0.671 0.160 0.092) 0.696 7.933 ( 0.696 -3.221 -0.230) 3.304 7.933 ( 0.696 3.221 -0.230) 3.304 7.951 ( 0.770 -2.153 0.489) 2.338 7.951 ( 0.770 2.153 0.489) 2.338 8.057 ( 1.066 -0.510 -0.291) 1.217 8.057 ( 1.066 0.510 -0.291) 1.217 8.063 ( 1.362 -0.370 0.387) 1.464 8.063 ( 1.362 0.370 0.387) 1.464 8.164 ( 0.577 -1.673 -1.319) 2.207 8.164 ( 0.577 1.673 -1.319) 2.207 8.192 ( 1.321 -1.351 0.940) 2.110 8.192 ( 1.321 1.351 0.940) 2.110 8.428 ( 2.289 -0.965 0.014) 2.484 8.428 ( 2.289 0.965 0.014) 2.484 8.468 ( 2.420 -0.114 0.008) 2.423 8.468 ( 2.420 0.114 0.008) 2.423 10.266 ( 2.307 -0.765 0.003) 2.431 10.266 ( 2.307 0.765 0.003) 2.431 10.410 ( 0.453 -0.179 0.065) 0.492 10.410 ( 0.453 0.179 0.065) 0.492 10.438 ( 1.003 -0.482 -0.067) 1.115 10.438 ( 1.003 0.482 -0.067) 1.115 12.300 ( 0.291 -1.029 0.041) 1.070 12.300 ( 0.291 1.029 0.041) 1.070 12.394 ( 0.694 -2.270 -0.151) 2.378 12.394 ( 0.694 2.270 -0.151) 2.378 12.452 ( -0.086 -1.591 0.119) 1.597 12.452 ( -0.086 1.591 0.119) 1.597 14.607 ( -0.672 -0.083 -0.003) 0.677 14.607 ( -0.672 0.083 -0.003) 0.677 14.971 ( 0.846 -0.716 -0.083) 1.111 14.971 ( 0.846 0.716 -0.083) 1.111 15.001 ( 0.503 -0.555 0.088) 0.754 15.001 ( 0.503 0.555 0.088) 0.754 15.643 ( -1.278 -1.030 -0.557) 1.734 15.643 ( -1.278 1.030 -0.557) 1.734 15.708 ( 0.197 -2.522 0.568) 2.593 15.708 ( 0.197 2.522 0.568) 2.593 15.927 ( -1.676 -0.952 0.085) 1.930 15.927 ( -1.676 0.952 0.085) 1.930 16.093 ( -1.699 -1.896 0.018) 2.546 16.093 ( -1.699 1.896 0.018) 2.546 16.206 ( -1.958 -1.323 -0.259) 2.377 16.206 ( -1.958 1.323 -0.259) 2.377 16.236 ( -3.242 -0.549 -0.009) 3.288 16.236 ( -3.242 0.549 -0.009) 3.288 16.336 ( -2.005 -1.777 -0.410) 2.710 16.336 ( -2.005 1.777 -0.410) 2.710 16.376 ( -2.206 -2.922 0.634) 3.716 16.376 ( -2.206 2.922 0.634) 3.716 16.558 ( 2.146 -1.819 -0.257) 2.825 16.558 ( 2.146 1.819 -0.257) 2.825 16.692 ( 4.232 -2.691 0.599) 5.051 16.692 ( 4.232 2.691 0.599) 5.051 16.865 ( 1.407 -3.157 -0.430) 3.483 16.865 ( 1.407 3.157 -0.430) 3.483 17.213 ( -7.184 -1.028 -0.148) 7.259 17.213 ( -7.184 1.028 -0.148) 7.259 ======================= Grid point 75 (39/39) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -3.621 -2.152 0.340) 4.226 0.583 ( -3.621 2.152 0.340) 4.226 0.672 ( 1.013 -5.107 1.351) 5.379 0.672 ( 1.013 5.107 1.351) 5.379 0.711 ( 1.028 -2.712 1.938) 3.489 0.711 ( 1.028 2.712 1.938) 3.489 0.769 ( -0.349 -1.815 0.234) 1.863 0.769 ( -0.349 1.815 0.234) 1.863 0.821 ( -2.091 -0.952 -1.382) 2.681 0.821 ( -2.091 0.952 -1.382) 2.681 0.896 ( 0.105 -4.219 -1.638) 4.527 0.896 ( 0.105 4.219 -1.638) 4.527 0.933 ( 0.411 -1.095 -0.657) 1.341 0.933 ( 0.411 1.095 -0.657) 1.341 0.966 ( 1.925 -1.729 1.797) 3.150 0.966 ( 1.925 1.729 1.797) 3.150 1.025 ( -1.421 -3.451 2.367) 4.420 1.025 ( -1.421 3.451 2.367) 4.420 1.049 ( -1.421 -2.207 -2.731) 3.788 1.049 ( -1.421 2.207 -2.731) 3.788 1.144 ( -1.894 -1.896 0.190) 2.687 1.144 ( -1.894 1.896 0.190) 2.687 1.161 ( 0.173 -1.292 -0.057) 1.305 1.161 ( 0.173 1.292 -0.057) 1.305 1.182 ( -1.434 -1.163 0.212) 1.858 1.182 ( -1.434 1.163 0.212) 1.858 1.211 ( -3.011 -3.146 -0.404) 4.374 1.211 ( -3.011 3.146 -0.404) 4.374 1.311 ( -2.437 -1.614 0.365) 2.945 1.311 ( -2.437 1.614 0.365) 2.945 1.349 ( -1.456 -1.641 0.785) 2.330 1.349 ( -1.456 1.641 0.785) 2.330 1.373 ( -1.621 -1.820 -0.537) 2.495 1.373 ( -1.621 1.820 -0.537) 2.495 1.442 ( -5.046 -0.598 -0.459) 5.102 1.442 ( -5.046 0.598 -0.459) 5.102 1.465 ( -3.349 -2.263 -0.972) 4.157 1.465 ( -3.349 2.263 -0.972) 4.157 1.508 ( -3.056 -1.829 3.567) 5.040 1.508 ( -3.056 1.829 3.567) 5.040 1.567 ( 0.755 -1.623 0.119) 1.793 1.567 ( 0.755 1.623 0.119) 1.793 1.633 ( -1.109 -1.950 -0.859) 2.402 1.633 ( -1.109 1.950 -0.859) 2.402 1.653 ( -2.151 -3.562 0.110) 4.163 1.653 ( -2.151 3.562 0.110) 4.163 1.717 ( 1.528 -2.393 -0.259) 2.851 1.717 ( 1.528 2.393 -0.259) 2.851 1.812 ( 1.964 -2.296 -1.109) 3.218 1.812 ( 1.964 2.296 -1.109) 3.218 1.889 ( -2.138 -0.399 -0.716) 2.290 1.889 ( -2.138 0.399 -0.716) 2.290 1.913 ( 0.185 -0.401 -0.054) 0.445 1.913 ( 0.185 0.401 -0.054) 0.445 2.018 ( -2.703 -3.549 -2.099) 4.930 2.018 ( -2.703 3.549 -2.099) 4.930 2.077 ( -2.364 -1.061 0.425) 2.626 2.077 ( -2.364 1.061 0.425) 2.626 2.118 ( -1.897 -1.531 0.279) 2.454 2.118 ( -1.897 1.531 0.279) 2.454 2.297 ( 2.208 -0.825 0.078) 2.359 2.297 ( 2.208 0.825 0.078) 2.359 2.404 ( 1.662 -2.350 0.101) 2.880 2.404 ( 1.662 2.350 0.101) 2.880 2.446 ( 0.187 -1.311 0.467) 1.404 2.446 ( 0.187 1.311 0.467) 1.404 2.513 ( 2.829 -3.603 0.053) 4.581 2.513 ( 2.829 3.603 0.053) 4.581 2.572 ( 1.260 -2.304 -0.082) 2.627 2.572 ( 1.260 2.304 -0.082) 2.627 2.621 ( 0.936 -2.455 0.366) 2.653 2.621 ( 0.936 2.455 0.366) 2.653 3.280 ( -0.094 -2.343 -0.124) 2.348 3.280 ( -0.094 2.343 -0.124) 2.348 3.337 ( 1.902 -1.779 -0.286) 2.620 3.337 ( 1.902 1.779 -0.286) 2.620 3.520 ( 1.803 -3.106 -0.097) 3.593 3.520 ( 1.803 3.106 -0.097) 3.593 3.686 ( -2.790 -1.636 0.129) 3.237 3.686 ( -2.790 1.636 0.129) 3.237 3.764 ( -1.926 -0.861 1.262) 2.459 3.764 ( -1.926 0.861 1.262) 2.459 3.879 ( 0.816 -1.657 -1.019) 2.109 3.879 ( 0.816 1.657 -1.019) 2.109 3.992 ( -0.155 -1.709 0.430) 1.769 3.992 ( -0.155 1.709 0.430) 1.769 4.119 ( -2.725 -1.420 -0.052) 3.074 4.119 ( -2.725 1.420 -0.052) 3.074 4.218 ( -0.467 -1.674 -0.832) 1.927 4.218 ( -0.467 1.674 -0.832) 1.927 4.392 ( -7.756 -0.309 -0.354) 7.770 4.392 ( -7.756 0.309 -0.354) 7.770 4.557 ( 5.128 -1.902 0.482) 5.491 4.557 ( 5.128 1.902 0.482) 5.491 4.600 ( 2.304 -0.475 0.480) 2.401 4.600 ( 2.304 0.475 0.480) 2.401 4.660 ( -0.753 -0.731 0.199) 1.068 4.660 ( -0.753 0.731 0.199) 1.068 4.917 ( -9.599 -1.034 -0.056) 9.655 4.917 ( -9.599 1.034 -0.056) 9.655 5.158 ( 0.624 -7.542 -0.426) 7.580 5.158 ( 0.624 7.542 -0.426) 7.580 5.221 ( -1.308 -11.731 0.565) 11.817 5.221 ( -1.308 11.731 0.565) 11.817 5.286 ( -0.805 -1.633 1.216) 2.189 5.286 ( -0.805 1.633 1.216) 2.189 5.439 ( 1.058 -0.541 -3.243) 3.454 5.439 ( 1.058 0.541 -3.243) 3.454 5.689 ( 0.056 -2.634 1.492) 3.028 5.689 ( 0.056 2.634 1.492) 3.028 5.807 ( -1.867 -1.126 0.825) 2.331 5.807 ( -1.867 1.126 0.825) 2.331 5.915 ( -1.193 -0.415 0.041) 1.264 5.915 ( -1.193 0.415 0.041) 1.264 6.053 ( 9.138 -0.753 -0.117) 9.170 6.053 ( 9.138 0.753 -0.117) 9.170 6.227 ( -0.478 -1.046 -1.293) 1.730 6.227 ( -0.478 1.046 -1.293) 1.730 6.274 ( 2.722 -1.522 -0.330) 3.137 6.274 ( 2.722 1.522 -0.330) 3.137 6.341 ( 0.365 -1.129 1.185) 1.677 6.341 ( 0.365 1.129 1.185) 1.677 6.386 ( -1.280 -0.732 -0.483) 1.552 6.386 ( -1.280 0.732 -0.483) 1.552 6.497 ( -3.835 -1.120 0.266) 4.004 6.497 ( -3.835 1.120 0.266) 4.004 6.569 ( -0.686 -1.598 0.200) 1.751 6.569 ( -0.686 1.598 0.200) 1.751 6.659 ( -3.913 -0.300 -0.196) 3.929 6.659 ( -3.913 0.300 -0.196) 3.929 6.857 ( 1.127 -0.408 0.170) 1.211 6.857 ( 1.127 0.408 0.170) 1.211 6.876 ( 0.637 -0.925 -0.010) 1.123 6.876 ( 0.637 0.925 -0.010) 1.123 6.925 ( -0.082 -0.804 0.170) 0.826 6.925 ( -0.082 0.804 0.170) 0.826 7.083 ( -0.231 -0.937 -0.340) 1.023 7.083 ( -0.231 0.937 -0.340) 1.023 7.159 ( 0.482 -0.443 -0.466) 0.803 7.159 ( 0.482 0.443 -0.466) 0.803 7.185 ( 1.104 -0.526 0.592) 1.359 7.185 ( 1.104 0.526 0.592) 1.359 7.318 ( 0.790 -1.733 0.095) 1.907 7.318 ( 0.790 1.733 0.095) 1.907 7.355 ( -0.031 -1.131 -0.449) 1.217 7.355 ( -0.031 1.131 -0.449) 1.217 7.407 ( -0.433 -1.153 0.117) 1.237 7.407 ( -0.433 1.153 0.117) 1.237 7.451 ( -0.241 -0.844 0.207) 0.902 7.451 ( -0.241 0.844 0.207) 0.902 7.571 ( 0.160 -0.162 0.083) 0.242 7.571 ( 0.160 0.162 0.083) 0.242 7.679 ( -0.435 -0.486 -0.157) 0.671 7.679 ( -0.435 0.486 -0.157) 0.671 7.764 ( -0.530 -0.409 0.085) 0.675 7.764 ( -0.530 0.409 0.085) 0.675 7.855 ( -0.813 -0.749 0.079) 1.108 7.855 ( -0.813 0.749 0.079) 1.108 7.949 ( 0.877 -1.317 0.211) 1.597 7.949 ( 0.877 1.317 0.211) 1.597 7.968 ( 0.808 -0.750 0.485) 1.205 7.968 ( 0.808 0.750 0.485) 1.205 8.056 ( -0.222 -0.170 0.444) 0.525 8.056 ( -0.222 0.170 0.444) 0.525 8.096 ( 0.897 -0.643 -1.104) 1.561 8.096 ( 0.897 0.643 -1.104) 1.561 8.167 ( 0.267 -1.206 -0.295) 1.270 8.167 ( 0.267 1.206 -0.295) 1.270 8.214 ( 0.700 -0.888 0.238) 1.156 8.214 ( 0.700 0.888 0.238) 1.156 8.470 ( 1.794 -0.484 0.033) 1.859 8.470 ( 1.794 0.484 0.033) 1.859 8.510 ( 1.677 -0.140 -0.010) 1.683 8.510 ( 1.677 0.140 -0.010) 1.683 10.306 ( 1.640 -0.653 -0.100) 1.768 10.306 ( 1.640 0.653 -0.100) 1.768 10.419 ( 0.432 -0.307 0.488) 0.720 10.419 ( 0.432 0.307 0.488) 0.720 10.453 ( 0.503 -0.617 -0.403) 0.893 10.453 ( 0.503 0.617 -0.403) 0.893 12.313 ( 0.942 -0.451 -0.072) 1.047 12.313 ( 0.942 0.451 -0.072) 1.047 12.399 ( -0.127 -0.782 -0.009) 0.792 12.399 ( -0.127 0.782 -0.009) 0.792 12.458 ( 0.575 -0.866 0.056) 1.041 12.458 ( 0.575 0.866 0.056) 1.041 14.593 ( -0.696 -0.050 -0.008) 0.697 14.593 ( -0.696 0.050 -0.008) 0.697 14.986 ( 0.674 -0.543 -0.078) 0.868 14.986 ( 0.674 0.543 -0.078) 0.868 15.010 ( 0.333 -0.464 0.069) 0.575 15.010 ( 0.333 0.464 0.069) 0.575 15.623 ( -0.544 -0.684 0.775) 1.168 15.623 ( -0.544 0.684 0.775) 1.168 15.705 ( -0.636 -3.582 -0.596) 3.686 15.705 ( -0.636 3.582 -0.596) 3.686 15.898 ( -1.114 -0.796 -0.034) 1.369 15.898 ( -1.114 0.796 -0.034) 1.369 16.049 ( -2.762 -1.074 -0.039) 2.963 16.049 ( -2.762 1.074 -0.039) 2.963 16.159 ( -2.666 -0.591 -0.105) 2.733 16.159 ( -2.666 0.591 -0.105) 2.733 16.172 ( -2.077 -1.326 -0.143) 2.468 16.172 ( -2.077 1.326 -0.143) 2.468 16.308 ( -0.606 -3.315 0.216) 3.377 16.308 ( -0.606 3.315 0.216) 3.377 16.339 ( -1.694 -2.646 0.103) 3.144 16.339 ( -1.694 2.646 0.103) 3.144 16.615 ( 3.313 -2.578 -0.323) 4.211 16.615 ( 3.313 2.578 -0.323) 4.211 16.772 ( 3.133 -2.671 2.135) 4.638 16.772 ( 3.133 2.671 2.135) 4.638 16.893 ( 1.140 -2.468 -2.226) 3.513 16.893 ( 1.140 2.468 -2.226) 3.513 17.075 ( -5.876 -0.970 -0.156) 5.958 17.075 ( -5.876 0.970 -0.156) 5.958 =================== 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 3/20736 10.0 3.464 2.241 2.442 0.000 -0.165 0.000 3/20736 20.0 1.010 0.638 0.628 0.000 -0.039 0.000 3/20736 30.0 0.600 0.375 0.360 0.000 -0.021 0.000 3/20736 40.0 0.437 0.273 0.258 0.000 -0.015 0.000 3/20736 50.0 0.347 0.218 0.203 0.000 -0.012 0.000 3/20736 60.0 0.289 0.183 0.168 0.000 -0.009 0.000 3/20736 70.0 0.248 0.158 0.144 0.000 -0.008 0.000 3/20736 80.0 0.218 0.140 0.126 0.000 -0.007 0.000 3/20736 90.0 0.195 0.125 0.112 0.000 -0.006 0.000 3/20736 100.0 0.176 0.114 0.101 0.000 -0.005 0.000 3/20736 110.0 0.161 0.104 0.092 0.000 -0.005 0.000 3/20736 120.0 0.149 0.096 0.085 0.000 -0.004 0.000 3/20736 130.0 0.139 0.089 0.079 0.000 -0.004 0.000 3/20736 140.0 0.130 0.084 0.073 0.000 -0.004 0.000 3/20736 150.0 0.122 0.079 0.069 0.000 -0.003 0.000 3/20736 160.0 0.116 0.074 0.065 0.000 -0.003 0.000 3/20736 170.0 0.110 0.070 0.061 0.000 -0.003 0.000 3/20736 180.0 0.105 0.067 0.058 0.000 -0.003 0.000 3/20736 190.0 0.100 0.064 0.055 0.000 -0.003 0.000 3/20736 200.0 0.096 0.061 0.052 0.000 -0.003 0.000 3/20736 210.0 0.092 0.059 0.050 0.000 -0.002 0.000 3/20736 220.0 0.089 0.056 0.048 0.000 -0.002 0.000 3/20736 230.0 0.085 0.054 0.046 0.000 -0.002 0.000 3/20736 240.0 0.082 0.052 0.044 0.000 -0.002 0.000 3/20736 250.0 0.080 0.050 0.043 0.000 -0.002 0.000 3/20736 260.0 0.077 0.049 0.041 0.000 -0.002 0.000 3/20736 270.0 0.075 0.047 0.040 0.000 -0.002 0.000 3/20736 280.0 0.072 0.045 0.038 0.000 -0.002 0.000 3/20736 290.0 0.070 0.044 0.037 0.000 -0.002 0.000 3/20736 300.0 0.068 0.043 0.036 0.000 -0.002 0.000 3/20736 310.0 0.067 0.042 0.035 0.000 -0.002 0.000 3/20736 320.0 0.065 0.040 0.034 0.000 -0.002 0.000 3/20736 330.0 0.063 0.039 0.033 0.000 -0.002 0.000 3/20736 340.0 0.061 0.038 0.032 0.000 -0.001 0.000 3/20736 350.0 0.060 0.037 0.031 0.000 -0.001 0.000 3/20736 360.0 0.059 0.036 0.030 0.000 -0.001 0.000 3/20736 370.0 0.057 0.035 0.030 0.000 -0.001 0.000 3/20736 380.0 0.056 0.035 0.029 0.000 -0.001 0.000 3/20736 390.0 0.055 0.034 0.028 0.000 -0.001 0.000 3/20736 400.0 0.053 0.033 0.027 0.000 -0.001 0.000 3/20736 410.0 0.052 0.032 0.027 0.000 -0.001 0.000 3/20736 420.0 0.051 0.031 0.026 0.000 -0.001 0.000 3/20736 430.0 0.050 0.031 0.026 0.000 -0.001 0.000 3/20736 440.0 0.049 0.030 0.025 0.000 -0.001 0.000 3/20736 450.0 0.048 0.030 0.024 0.000 -0.001 0.000 3/20736 460.0 0.047 0.029 0.024 0.000 -0.001 0.000 3/20736 470.0 0.046 0.028 0.023 0.000 -0.001 0.000 3/20736 480.0 0.045 0.028 0.023 0.000 -0.001 0.000 3/20736 490.0 0.044 0.027 0.023 0.000 -0.001 0.000 3/20736 500.0 0.044 0.027 0.022 0.000 -0.001 0.000 3/20736 510.0 0.043 0.026 0.022 0.000 -0.001 0.000 3/20736 520.0 0.042 0.026 0.021 0.000 -0.001 0.000 3/20736 530.0 0.041 0.025 0.021 0.000 -0.001 0.000 3/20736 540.0 0.041 0.025 0.021 0.000 -0.001 0.000 3/20736 550.0 0.040 0.024 0.020 0.000 -0.001 0.000 3/20736 560.0 0.039 0.024 0.020 0.000 -0.001 0.000 3/20736 570.0 0.039 0.024 0.019 0.000 -0.001 0.000 3/20736 580.0 0.038 0.023 0.019 0.000 -0.001 0.000 3/20736 590.0 0.037 0.023 0.019 0.000 -0.001 0.000 3/20736 600.0 0.037 0.023 0.019 0.000 -0.001 0.000 3/20736 610.0 0.036 0.022 0.018 0.000 -0.001 0.000 3/20736 620.0 0.036 0.022 0.018 0.000 -0.001 0.000 3/20736 630.0 0.035 0.021 0.018 0.000 -0.001 0.000 3/20736 640.0 0.035 0.021 0.017 0.000 -0.001 0.000 3/20736 650.0 0.034 0.021 0.017 0.000 -0.001 0.000 3/20736 660.0 0.034 0.021 0.017 0.000 -0.001 0.000 3/20736 670.0 0.033 0.020 0.017 0.000 -0.001 0.000 3/20736 680.0 0.033 0.020 0.016 0.000 -0.001 0.000 3/20736 690.0 0.032 0.020 0.016 0.000 -0.001 0.000 3/20736 700.0 0.032 0.019 0.016 0.000 -0.001 0.000 3/20736 710.0 0.031 0.019 0.016 0.000 -0.001 0.000 3/20736 720.0 0.031 0.019 0.016 0.000 -0.001 0.000 3/20736 730.0 0.031 0.019 0.015 0.000 -0.001 0.000 3/20736 740.0 0.030 0.018 0.015 0.000 -0.001 0.000 3/20736 750.0 0.030 0.018 0.015 0.000 -0.001 0.000 3/20736 760.0 0.030 0.018 0.015 0.000 -0.001 0.000 3/20736 770.0 0.029 0.018 0.015 0.000 -0.001 0.000 3/20736 780.0 0.029 0.017 0.014 0.000 -0.001 0.000 3/20736 790.0 0.028 0.017 0.014 0.000 -0.001 0.000 3/20736 800.0 0.028 0.017 0.014 0.000 -0.001 0.000 3/20736 810.0 0.028 0.017 0.014 0.000 -0.001 0.000 3/20736 820.0 0.027 0.017 0.014 0.000 -0.001 0.000 3/20736 830.0 0.027 0.016 0.013 0.000 -0.001 0.000 3/20736 840.0 0.027 0.016 0.013 0.000 -0.001 0.000 3/20736 850.0 0.027 0.016 0.013 0.000 -0.001 0.000 3/20736 860.0 0.026 0.016 0.013 0.000 -0.001 0.000 3/20736 870.0 0.026 0.016 0.013 0.000 -0.001 0.000 3/20736 880.0 0.026 0.016 0.013 0.000 -0.001 0.000 3/20736 890.0 0.025 0.015 0.013 0.000 -0.001 0.000 3/20736 900.0 0.025 0.015 0.012 0.000 -0.001 0.000 3/20736 910.0 0.025 0.015 0.012 0.000 -0.001 0.000 3/20736 920.0 0.025 0.015 0.012 0.000 -0.001 0.000 3/20736 930.0 0.024 0.015 0.012 0.000 -0.001 0.000 3/20736 940.0 0.024 0.015 0.012 0.000 -0.001 0.000 3/20736 950.0 0.024 0.014 0.012 0.000 -0.001 0.000 3/20736 960.0 0.024 0.014 0.012 0.000 -0.001 0.000 3/20736 970.0 0.023 0.014 0.012 0.000 -0.000 0.000 3/20736 980.0 0.023 0.014 0.011 0.000 -0.000 0.000 3/20736 990.0 0.023 0.014 0.011 0.000 -0.000 0.000 3/20736 1000.0 0.023 0.014 0.011 0.000 -0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m843.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:35:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|