----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:23:19]------------------------- 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: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893301425014636 -3.362691820000000 0.000000000000000 b 5.893301425014636 3.362691820000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): *1 Dy 0.68766942542715 0.69340989054626 0.04784951802515 162.500 2 Dy 0.69340989054626 0.68766942542715 0.54784951802515 162.500 3 Dy 0.30659010945374 0.31233057457285 0.45215048197485 162.500 4 Dy 0.31233057457285 0.30659010945374 0.95215048197485 162.500 *5 P 0.75094397705225 0.77254740306634 0.33806571660477 30.974 6 P 0.77254740306634 0.75094397705225 0.83806571660477 30.974 *7 P 0.83141253022666 0.14662345603963 0.13355190739609 30.974 8 P 0.85337654396037 0.16858746977334 0.36644809260391 30.974 9 P 0.14662345603963 0.83141253022666 0.63355190739609 30.974 10 P 0.16858746977334 0.85337654396037 0.86644809260391 30.974 11 P 0.22745259693366 0.24905602294775 0.16193428339523 30.974 12 P 0.24905602294775 0.22745259693366 0.66193428339523 30.974 *13 O 0.87129823520540 0.90403446478051 0.10120594298185 15.999 *14 O 0.88120504599027 0.91721802281844 0.34455001101479 15.999 15 O 0.90403446478051 0.87129823520540 0.60120594298185 15.999 16 O 0.91721802281844 0.88120504599027 0.84455001101479 15.999 *17 O 0.68723593011240 0.69965939995128 0.21987814257520 15.999 *18 O 0.92136486975857 0.57466686798964 0.40355534867959 15.999 *19 O 0.55014808567709 0.92094054598363 0.40390555515233 15.999 *20 O 0.66533008982063 0.32416102343050 0.05765097469216 15.999 21 O 0.69965939995128 0.68723593011240 0.71987814257520 15.999 22 O 0.57466686798964 0.92136486975857 0.90355534867959 15.999 23 O 0.92094054598363 0.55014808567709 0.90390555515233 15.999 *24 O 0.74419665492441 0.25580334507559 0.25000000000000 15.999 25 O 0.67583897656950 0.33466991017937 0.44234902530784 15.999 26 O 0.32416102343050 0.66533008982063 0.55765097469216 15.999 27 O 0.25580334507559 0.74419665492441 0.75000000000000 15.999 28 O 0.07905945401637 0.44985191432291 0.09609444484767 15.999 29 O 0.42533313201036 0.07863513024143 0.09644465132041 15.999 30 O 0.30034060004872 0.31276406988760 0.28012185742480 15.999 31 O 0.33466991017937 0.67583897656950 0.94234902530784 15.999 32 O 0.44985191432291 0.07905945401637 0.59609444484767 15.999 33 O 0.07863513024143 0.42533313201036 0.59644465132041 15.999 34 O 0.31276406988760 0.30034060004872 0.78012185742480 15.999 35 O 0.08278197718156 0.11879495400973 0.15544998898521 15.999 36 O 0.09596553521949 0.12870176479460 0.39879405701815 15.999 37 O 0.11879495400973 0.08278197718156 0.65544998898521 15.999 38 O 0.12870176479460 0.09596553521949 0.89879405701815 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.786602850029272 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725383640000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): *1 Dy 0.19053965798670 0.50287023255956 0.04784951802515 162.500 > 1 2 Dy 0.19053965798670 0.49712976744044 0.54784951802515 162.500 > 2 3 Dy 0.30946034201329 0.00287023255956 0.45215048197485 162.500 > 3 4 Dy 0.30946034201329 0.99712976744044 0.95215048197485 162.500 > 4 5 Dy 0.69053965798671 0.00287023255956 0.04784951802515 162.500 > 1 6 Dy 0.69053965798671 0.99712976744044 0.54784951802515 162.500 > 2 7 Dy 0.80946034201329 0.50287023255956 0.45215048197485 162.500 > 3 8 Dy 0.80946034201329 0.49712976744044 0.95215048197485 162.500 > 4 *9 P 0.26174569005929 0.51080171300704 0.33806571660477 30.974 > 5 10 P 0.26174569005929 0.48919828699296 0.83806571660477 30.974 > 6 *11 P 0.48901799313315 0.65760546290648 0.13355190739609 30.974 > 7 12 P 0.01098200686685 0.15760546290648 0.36644809260391 30.974 > 8 13 P 0.48901799313315 0.34239453709352 0.63355190739609 30.974 > 9 14 P 0.01098200686685 0.84239453709352 0.86644809260391 30.974 > 10 15 P 0.23825430994071 0.01080171300704 0.16193428339523 30.974 > 11 16 P 0.23825430994071 0.98919828699296 0.66193428339523 30.974 > 12 17 P 0.76174569005929 0.01080171300704 0.33806571660477 30.974 > 5 18 P 0.76174569005929 0.98919828699296 0.83806571660477 30.974 > 6 19 P 0.98901799313315 0.15760546290648 0.13355190739609 30.974 > 7 20 P 0.51098200686685 0.65760546290648 0.36644809260391 30.974 > 8 21 P 0.98901799313315 0.84239453709352 0.63355190739609 30.974 > 9 22 P 0.51098200686685 0.34239453709352 0.86644809260391 30.974 > 10 23 P 0.73825430994071 0.51080171300704 0.16193428339523 30.974 > 11 24 P 0.73825430994071 0.48919828699296 0.66193428339523 30.974 > 12 *25 O 0.38766634999295 0.51636811478756 0.10120594298185 15.999 > 13 *26 O 0.39921153440435 0.51800648841409 0.34455001101479 15.999 > 14 27 O 0.38766634999295 0.48363188521244 0.60120594298185 15.999 > 15 28 O 0.39921153440435 0.48199351158591 0.84455001101479 15.999 > 16 *29 O 0.19344766503184 0.50621173491944 0.21987814257520 15.999 > 17 *30 O 0.24801586887411 0.32665099911554 0.40355534867959 15.999 > 18 *31 O 0.23554431583036 0.68539623015327 0.40390555515233 15.999 > 19 *32 O 0.49474555662557 0.82941546680494 0.05765097469216 15.999 > 20 33 O 0.19344766503184 0.49378826508056 0.71987814257520 15.999 > 21 34 O 0.24801586887411 0.67334900088446 0.90355534867959 15.999 > 22 35 O 0.23554431583036 0.31460376984673 0.90390555515233 15.999 > 23 *36 O 0.00000000000000 0.25580334507559 0.25000000000000 15.999 > 24 37 O 0.00525444337443 0.32941546680494 0.44234902530784 15.999 > 25 38 O 0.49474555662557 0.17058453319506 0.55765097469216 15.999 > 26 39 O 0.00000000000000 0.74419665492441 0.75000000000000 15.999 > 27 40 O 0.26445568416964 0.18539623015327 0.09609444484767 15.999 > 28 41 O 0.25198413112589 0.82665099911554 0.09644465132041 15.999 > 29 42 O 0.30655233496816 0.00621173491944 0.28012185742480 15.999 > 30 43 O 0.00525444337443 0.67058453319506 0.94234902530784 15.999 > 31 44 O 0.26445568416964 0.81460376984673 0.59609444484767 15.999 > 32 45 O 0.25198413112589 0.17334900088446 0.59644465132041 15.999 > 33 46 O 0.30655233496816 0.99378826508056 0.78012185742480 15.999 > 34 47 O 0.10078846559565 0.01800648841409 0.15544998898521 15.999 > 35 48 O 0.11233365000705 0.01636811478756 0.39879405701815 15.999 > 36 49 O 0.10078846559565 0.98199351158591 0.65544998898521 15.999 > 37 50 O 0.11233365000705 0.98363188521244 0.89879405701815 15.999 > 38 51 O 0.88766634999295 0.01636811478756 0.10120594298185 15.999 > 13 52 O 0.89921153440435 0.01800648841409 0.34455001101479 15.999 > 14 53 O 0.88766634999295 0.98363188521244 0.60120594298185 15.999 > 15 54 O 0.89921153440435 0.98199351158591 0.84455001101479 15.999 > 16 55 O 0.69344766503184 0.00621173491944 0.21987814257520 15.999 > 17 56 O 0.74801586887411 0.82665099911554 0.40355534867959 15.999 > 18 57 O 0.73554431583036 0.18539623015327 0.40390555515233 15.999 > 19 58 O 0.99474555662557 0.32941546680494 0.05765097469216 15.999 > 20 59 O 0.69344766503184 0.99378826508056 0.71987814257520 15.999 > 21 60 O 0.74801586887411 0.17334900088446 0.90355534867959 15.999 > 22 61 O 0.73554431583036 0.81460376984673 0.90390555515233 15.999 > 23 62 O 0.50000000000000 0.75580334507559 0.25000000000000 15.999 > 24 63 O 0.50525444337443 0.82941546680494 0.44234902530784 15.999 > 25 64 O 0.99474555662557 0.67058453319506 0.55765097469216 15.999 > 26 65 O 0.50000000000000 0.24419665492441 0.75000000000000 15.999 > 27 66 O 0.76445568416964 0.68539623015327 0.09609444484767 15.999 > 28 67 O 0.75198413112589 0.32665099911554 0.09644465132041 15.999 > 29 68 O 0.80655233496816 0.50621173491944 0.28012185742480 15.999 > 30 69 O 0.50525444337443 0.17058453319506 0.94234902530784 15.999 > 31 70 O 0.76445568416964 0.31460376984673 0.59609444484767 15.999 > 32 71 O 0.75198413112589 0.67334900088446 0.59644465132041 15.999 > 33 72 O 0.80655233496816 0.49378826508056 0.78012185742480 15.999 > 34 73 O 0.60078846559565 0.51800648841409 0.15544998898521 15.999 > 35 74 O 0.61233365000705 0.51636811478756 0.39879405701815 15.999 > 36 75 O 0.60078846559565 0.48199351158591 0.65544998898521 15.999 > 37 76 O 0.61233365000705 0.48363188521244 0.89879405701815 15.999 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.786602850029272 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725383640000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): *1 Dy 0.19053965798670 0.50287023255956 0.04784951802515 162.500 > 1 2 Dy 0.19053965798670 0.49712976744044 0.54784951802515 162.500 > 2 3 Dy 0.30946034201329 0.00287023255956 0.45215048197485 162.500 > 3 4 Dy 0.30946034201329 0.99712976744044 0.95215048197485 162.500 > 4 5 Dy 0.69053965798671 0.00287023255956 0.04784951802515 162.500 > 1 6 Dy 0.69053965798671 0.99712976744044 0.54784951802515 162.500 > 2 7 Dy 0.80946034201329 0.50287023255956 0.45215048197485 162.500 > 3 8 Dy 0.80946034201329 0.49712976744044 0.95215048197485 162.500 > 4 *9 P 0.26174569005929 0.51080171300704 0.33806571660477 30.974 > 5 10 P 0.26174569005929 0.48919828699296 0.83806571660477 30.974 > 6 *11 P 0.48901799313315 0.65760546290648 0.13355190739609 30.974 > 7 12 P 0.01098200686685 0.15760546290648 0.36644809260391 30.974 > 8 13 P 0.48901799313315 0.34239453709352 0.63355190739609 30.974 > 9 14 P 0.01098200686685 0.84239453709352 0.86644809260391 30.974 > 10 15 P 0.23825430994071 0.01080171300704 0.16193428339523 30.974 > 11 16 P 0.23825430994071 0.98919828699296 0.66193428339523 30.974 > 12 17 P 0.76174569005929 0.01080171300704 0.33806571660477 30.974 > 5 18 P 0.76174569005929 0.98919828699296 0.83806571660477 30.974 > 6 19 P 0.98901799313315 0.15760546290648 0.13355190739609 30.974 > 7 20 P 0.51098200686685 0.65760546290648 0.36644809260391 30.974 > 8 21 P 0.98901799313315 0.84239453709352 0.63355190739609 30.974 > 9 22 P 0.51098200686685 0.34239453709352 0.86644809260391 30.974 > 10 23 P 0.73825430994071 0.51080171300704 0.16193428339523 30.974 > 11 24 P 0.73825430994071 0.48919828699296 0.66193428339523 30.974 > 12 *25 O 0.38766634999295 0.51636811478756 0.10120594298185 15.999 > 13 *26 O 0.39921153440435 0.51800648841409 0.34455001101479 15.999 > 14 27 O 0.38766634999295 0.48363188521244 0.60120594298185 15.999 > 15 28 O 0.39921153440435 0.48199351158591 0.84455001101479 15.999 > 16 *29 O 0.19344766503184 0.50621173491944 0.21987814257520 15.999 > 17 *30 O 0.24801586887411 0.32665099911554 0.40355534867959 15.999 > 18 *31 O 0.23554431583036 0.68539623015327 0.40390555515233 15.999 > 19 *32 O 0.49474555662557 0.82941546680494 0.05765097469216 15.999 > 20 33 O 0.19344766503184 0.49378826508056 0.71987814257520 15.999 > 21 34 O 0.24801586887411 0.67334900088446 0.90355534867959 15.999 > 22 35 O 0.23554431583036 0.31460376984673 0.90390555515233 15.999 > 23 *36 O 0.00000000000000 0.25580334507559 0.25000000000000 15.999 > 24 37 O 0.00525444337443 0.32941546680494 0.44234902530784 15.999 > 25 38 O 0.49474555662557 0.17058453319506 0.55765097469216 15.999 > 26 39 O 0.00000000000000 0.74419665492441 0.75000000000000 15.999 > 27 40 O 0.26445568416964 0.18539623015327 0.09609444484767 15.999 > 28 41 O 0.25198413112589 0.82665099911554 0.09644465132041 15.999 > 29 42 O 0.30655233496816 0.00621173491944 0.28012185742480 15.999 > 30 43 O 0.00525444337443 0.67058453319506 0.94234902530784 15.999 > 31 44 O 0.26445568416964 0.81460376984673 0.59609444484767 15.999 > 32 45 O 0.25198413112589 0.17334900088446 0.59644465132041 15.999 > 33 46 O 0.30655233496816 0.99378826508056 0.78012185742480 15.999 > 34 47 O 0.10078846559565 0.01800648841409 0.15544998898521 15.999 > 35 48 O 0.11233365000705 0.01636811478756 0.39879405701815 15.999 > 36 49 O 0.10078846559565 0.98199351158591 0.65544998898521 15.999 > 37 50 O 0.11233365000705 0.98363188521244 0.89879405701815 15.999 > 38 51 O 0.88766634999295 0.01636811478756 0.10120594298185 15.999 > 13 52 O 0.89921153440435 0.01800648841409 0.34455001101479 15.999 > 14 53 O 0.88766634999295 0.98363188521244 0.60120594298185 15.999 > 15 54 O 0.89921153440435 0.98199351158591 0.84455001101479 15.999 > 16 55 O 0.69344766503184 0.00621173491944 0.21987814257520 15.999 > 17 56 O 0.74801586887411 0.82665099911554 0.40355534867959 15.999 > 18 57 O 0.73554431583036 0.18539623015327 0.40390555515233 15.999 > 19 58 O 0.99474555662557 0.32941546680494 0.05765097469216 15.999 > 20 59 O 0.69344766503184 0.99378826508056 0.71987814257520 15.999 > 21 60 O 0.74801586887411 0.17334900088446 0.90355534867959 15.999 > 22 61 O 0.73554431583036 0.81460376984673 0.90390555515233 15.999 > 23 62 O 0.50000000000000 0.75580334507559 0.25000000000000 15.999 > 24 63 O 0.50525444337443 0.82941546680494 0.44234902530784 15.999 > 25 64 O 0.99474555662557 0.67058453319506 0.55765097469216 15.999 > 26 65 O 0.50000000000000 0.24419665492441 0.75000000000000 15.999 > 27 66 O 0.76445568416964 0.68539623015327 0.09609444484767 15.999 > 28 67 O 0.75198413112589 0.32665099911554 0.09644465132041 15.999 > 29 68 O 0.80655233496816 0.50621173491944 0.28012185742480 15.999 > 30 69 O 0.50525444337443 0.17058453319506 0.94234902530784 15.999 > 31 70 O 0.76445568416964 0.31460376984673 0.59609444484767 15.999 > 32 71 O 0.75198413112589 0.67334900088446 0.59644465132041 15.999 > 33 72 O 0.80655233496816 0.49378826508056 0.78012185742480 15.999 > 34 73 O 0.60078846559565 0.51800648841409 0.15544998898521 15.999 > 35 74 O 0.61233365000705 0.51636811478756 0.39879405701815 15.999 > 36 75 O 0.60078846559565 0.48199351158591 0.65544998898521 15.999 > 37 76 O 0.61233365000705 0.48363188521244 0.89879405701815 15.999 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9048405 0.0000000 -0.0574919 0.0000000 2.8459074 0.0000000 -0.0574933 0.0000000 3.0299165 -------------------------- Born effective charges -------------------------- 1 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 2 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 3 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 4 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 5 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 6 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 7 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 8 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 9 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 10 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 11 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 12 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 13 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 14 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 15 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 16 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 17 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 18 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 19 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 20 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 21 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 22 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 23 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 24 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 25 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 26 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 27 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 28 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 29 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 30 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 31 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 32 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 33 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 34 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 35 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 36 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 37 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 38 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.654 Solver_block: 200 / 1200 - Time: 0.556 Solver_block: 300 / 1200 - Time: 0.551 Solver_block: 400 / 1200 - Time: 0.554 Solver_block: 500 / 1200 - Time: 0.554 Solver_block: 600 / 1200 - Time: 0.552 Solver_block: 700 / 1200 - Time: 0.552 Solver_block: 800 / 1200 - Time: 0.553 Solver_block: 900 / 1200 - Time: 0.559 Solver_block: 1000 / 1200 - Time: 0.558 Solver_block: 1100 / 1200 - Time: 0.555 Solver_block: 1200 / 1200 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.902 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 02:24:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:24:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893301425014636 -3.362691820000000 0.000000000000000 b 5.893301425014636 3.362691820000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): 1 Dy 0.68766942542715 0.69340989054626 0.04784951802515 162.500 2 Dy 0.69340989054626 0.68766942542715 0.54784951802515 162.500 3 Dy 0.30659010945374 0.31233057457285 0.45215048197485 162.500 4 Dy 0.31233057457285 0.30659010945374 0.95215048197485 162.500 5 P 0.75094397705225 0.77254740306634 0.33806571660477 30.974 6 P 0.77254740306634 0.75094397705225 0.83806571660477 30.974 7 P 0.83141253022666 0.14662345603963 0.13355190739609 30.974 8 P 0.85337654396037 0.16858746977334 0.36644809260391 30.974 9 P 0.14662345603963 0.83141253022666 0.63355190739609 30.974 10 P 0.16858746977334 0.85337654396037 0.86644809260391 30.974 11 P 0.22745259693366 0.24905602294775 0.16193428339523 30.974 12 P 0.24905602294775 0.22745259693366 0.66193428339523 30.974 13 O 0.87129823520540 0.90403446478051 0.10120594298185 15.999 14 O 0.88120504599027 0.91721802281844 0.34455001101479 15.999 15 O 0.90403446478051 0.87129823520540 0.60120594298185 15.999 16 O 0.91721802281844 0.88120504599027 0.84455001101479 15.999 17 O 0.68723593011240 0.69965939995128 0.21987814257520 15.999 18 O 0.92136486975857 0.57466686798964 0.40355534867959 15.999 19 O 0.55014808567709 0.92094054598363 0.40390555515233 15.999 20 O 0.66533008982063 0.32416102343050 0.05765097469216 15.999 21 O 0.69965939995128 0.68723593011240 0.71987814257520 15.999 22 O 0.57466686798964 0.92136486975857 0.90355534867959 15.999 23 O 0.92094054598363 0.55014808567709 0.90390555515233 15.999 24 O 0.74419665492441 0.25580334507559 0.25000000000000 15.999 25 O 0.67583897656950 0.33466991017937 0.44234902530784 15.999 26 O 0.32416102343050 0.66533008982063 0.55765097469216 15.999 27 O 0.25580334507559 0.74419665492441 0.75000000000000 15.999 28 O 0.07905945401637 0.44985191432291 0.09609444484767 15.999 29 O 0.42533313201036 0.07863513024143 0.09644465132041 15.999 30 O 0.30034060004872 0.31276406988760 0.28012185742480 15.999 31 O 0.33466991017937 0.67583897656950 0.94234902530784 15.999 32 O 0.44985191432291 0.07905945401637 0.59609444484767 15.999 33 O 0.07863513024143 0.42533313201036 0.59644465132041 15.999 34 O 0.31276406988760 0.30034060004872 0.78012185742480 15.999 35 O 0.08278197718156 0.11879495400973 0.15544998898521 15.999 36 O 0.09596553521949 0.12870176479460 0.39879405701815 15.999 37 O 0.11879495400973 0.08278197718156 0.65544998898521 15.999 38 O 0.12870176479460 0.09596553521949 0.89879405701815 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.786602850029272 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725383640000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): 1 Dy 0.19053965798670 0.50287023255956 0.04784951802515 162.500 > 1 2 Dy 0.19053965798670 0.49712976744044 0.54784951802515 162.500 > 2 3 Dy 0.30946034201329 0.00287023255956 0.45215048197485 162.500 > 3 4 Dy 0.30946034201329 0.99712976744044 0.95215048197485 162.500 > 4 5 Dy 0.69053965798671 0.00287023255956 0.04784951802515 162.500 > 1 6 Dy 0.69053965798671 0.99712976744044 0.54784951802515 162.500 > 2 7 Dy 0.80946034201329 0.50287023255956 0.45215048197485 162.500 > 3 8 Dy 0.80946034201329 0.49712976744044 0.95215048197485 162.500 > 4 9 P 0.26174569005929 0.51080171300704 0.33806571660477 30.974 > 9 10 P 0.26174569005929 0.48919828699296 0.83806571660477 30.974 > 10 11 P 0.48901799313315 0.65760546290648 0.13355190739609 30.974 > 11 12 P 0.01098200686685 0.15760546290648 0.36644809260391 30.974 > 12 13 P 0.48901799313315 0.34239453709352 0.63355190739609 30.974 > 13 14 P 0.01098200686685 0.84239453709352 0.86644809260391 30.974 > 14 15 P 0.23825430994071 0.01080171300704 0.16193428339523 30.974 > 15 16 P 0.23825430994071 0.98919828699296 0.66193428339523 30.974 > 16 17 P 0.76174569005929 0.01080171300704 0.33806571660477 30.974 > 9 18 P 0.76174569005929 0.98919828699296 0.83806571660477 30.974 > 10 19 P 0.98901799313315 0.15760546290648 0.13355190739609 30.974 > 11 20 P 0.51098200686685 0.65760546290648 0.36644809260391 30.974 > 12 21 P 0.98901799313315 0.84239453709352 0.63355190739609 30.974 > 13 22 P 0.51098200686685 0.34239453709352 0.86644809260391 30.974 > 14 23 P 0.73825430994071 0.51080171300704 0.16193428339523 30.974 > 15 24 P 0.73825430994071 0.48919828699296 0.66193428339523 30.974 > 16 25 O 0.38766634999295 0.51636811478756 0.10120594298185 15.999 > 25 26 O 0.39921153440435 0.51800648841409 0.34455001101479 15.999 > 26 27 O 0.38766634999295 0.48363188521244 0.60120594298185 15.999 > 27 28 O 0.39921153440435 0.48199351158591 0.84455001101479 15.999 > 28 29 O 0.19344766503184 0.50621173491944 0.21987814257520 15.999 > 29 30 O 0.24801586887411 0.32665099911554 0.40355534867959 15.999 > 30 31 O 0.23554431583036 0.68539623015327 0.40390555515233 15.999 > 31 32 O 0.49474555662557 0.82941546680494 0.05765097469216 15.999 > 32 33 O 0.19344766503184 0.49378826508056 0.71987814257520 15.999 > 33 34 O 0.24801586887411 0.67334900088446 0.90355534867959 15.999 > 34 35 O 0.23554431583036 0.31460376984673 0.90390555515233 15.999 > 35 36 O 0.00000000000000 0.25580334507559 0.25000000000000 15.999 > 36 37 O 0.00525444337443 0.32941546680494 0.44234902530784 15.999 > 37 38 O 0.49474555662557 0.17058453319506 0.55765097469216 15.999 > 38 39 O 0.00000000000000 0.74419665492441 0.75000000000000 15.999 > 39 40 O 0.26445568416964 0.18539623015327 0.09609444484767 15.999 > 40 41 O 0.25198413112589 0.82665099911554 0.09644465132041 15.999 > 41 42 O 0.30655233496816 0.00621173491944 0.28012185742480 15.999 > 42 43 O 0.00525444337443 0.67058453319506 0.94234902530784 15.999 > 43 44 O 0.26445568416964 0.81460376984673 0.59609444484767 15.999 > 44 45 O 0.25198413112589 0.17334900088446 0.59644465132041 15.999 > 45 46 O 0.30655233496816 0.99378826508056 0.78012185742480 15.999 > 46 47 O 0.10078846559565 0.01800648841409 0.15544998898521 15.999 > 47 48 O 0.11233365000705 0.01636811478756 0.39879405701815 15.999 > 48 49 O 0.10078846559565 0.98199351158591 0.65544998898521 15.999 > 49 50 O 0.11233365000705 0.98363188521244 0.89879405701815 15.999 > 50 51 O 0.88766634999295 0.01636811478756 0.10120594298185 15.999 > 25 52 O 0.89921153440435 0.01800648841409 0.34455001101479 15.999 > 26 53 O 0.88766634999295 0.98363188521244 0.60120594298185 15.999 > 27 54 O 0.89921153440435 0.98199351158591 0.84455001101479 15.999 > 28 55 O 0.69344766503184 0.00621173491944 0.21987814257520 15.999 > 29 56 O 0.74801586887411 0.82665099911554 0.40355534867959 15.999 > 30 57 O 0.73554431583036 0.18539623015327 0.40390555515233 15.999 > 31 58 O 0.99474555662557 0.32941546680494 0.05765097469216 15.999 > 32 59 O 0.69344766503184 0.99378826508056 0.71987814257520 15.999 > 33 60 O 0.74801586887411 0.17334900088446 0.90355534867959 15.999 > 34 61 O 0.73554431583036 0.81460376984673 0.90390555515233 15.999 > 35 62 O 0.50000000000000 0.75580334507559 0.25000000000000 15.999 > 36 63 O 0.50525444337443 0.82941546680494 0.44234902530784 15.999 > 37 64 O 0.99474555662557 0.67058453319506 0.55765097469216 15.999 > 38 65 O 0.50000000000000 0.24419665492441 0.75000000000000 15.999 > 39 66 O 0.76445568416964 0.68539623015327 0.09609444484767 15.999 > 40 67 O 0.75198413112589 0.32665099911554 0.09644465132041 15.999 > 41 68 O 0.80655233496816 0.50621173491944 0.28012185742480 15.999 > 42 69 O 0.50525444337443 0.17058453319506 0.94234902530784 15.999 > 43 70 O 0.76445568416964 0.31460376984673 0.59609444484767 15.999 > 44 71 O 0.75198413112589 0.67334900088446 0.59644465132041 15.999 > 45 72 O 0.80655233496816 0.49378826508056 0.78012185742480 15.999 > 46 73 O 0.60078846559565 0.51800648841409 0.15544998898521 15.999 > 47 74 O 0.61233365000705 0.51636811478756 0.39879405701815 15.999 > 48 75 O 0.60078846559565 0.48199351158591 0.65544998898521 15.999 > 49 76 O 0.61233365000705 0.48363188521244 0.89879405701815 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9048405 0.0000000 -0.0574919 0.0000000 2.8459074 0.0000000 -0.0574933 0.0000000 3.0299165 -------------------------- Born effective charges -------------------------- 1 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 2 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 3 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 4 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 5 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 6 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 7 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 8 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 9 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 10 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 11 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 12 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 13 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 14 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 15 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 16 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 17 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 18 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 19 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 20 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 21 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 22 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 23 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 24 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 25 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 26 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 27 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 28 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 29 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 30 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 31 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 32 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 33 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 34 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 35 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 36 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 37 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 38 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 11, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 26, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 30, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 31, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 32, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 36, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (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 2026-01-09 02:24:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:24:26]------------------------- 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): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.893301425014636 -3.362691820000000 0.000000000000000 b 5.893301425014636 3.362691820000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): 1 Dy 0.68766942542715 0.69340989054626 0.04784951802515 162.500 2 Dy 0.69340989054626 0.68766942542715 0.54784951802515 162.500 3 Dy 0.30659010945374 0.31233057457285 0.45215048197485 162.500 4 Dy 0.31233057457285 0.30659010945374 0.95215048197485 162.500 5 P 0.75094397705225 0.77254740306634 0.33806571660477 30.974 6 P 0.77254740306634 0.75094397705225 0.83806571660477 30.974 7 P 0.83141253022666 0.14662345603963 0.13355190739609 30.974 8 P 0.85337654396037 0.16858746977334 0.36644809260391 30.974 9 P 0.14662345603963 0.83141253022666 0.63355190739609 30.974 10 P 0.16858746977334 0.85337654396037 0.86644809260391 30.974 11 P 0.22745259693366 0.24905602294775 0.16193428339523 30.974 12 P 0.24905602294775 0.22745259693366 0.66193428339523 30.974 13 O 0.87129823520540 0.90403446478051 0.10120594298185 15.999 14 O 0.88120504599027 0.91721802281844 0.34455001101479 15.999 15 O 0.90403446478051 0.87129823520540 0.60120594298185 15.999 16 O 0.91721802281844 0.88120504599027 0.84455001101479 15.999 17 O 0.68723593011240 0.69965939995128 0.21987814257520 15.999 18 O 0.92136486975857 0.57466686798964 0.40355534867959 15.999 19 O 0.55014808567709 0.92094054598363 0.40390555515233 15.999 20 O 0.66533008982063 0.32416102343050 0.05765097469216 15.999 21 O 0.69965939995128 0.68723593011240 0.71987814257520 15.999 22 O 0.57466686798964 0.92136486975857 0.90355534867959 15.999 23 O 0.92094054598363 0.55014808567709 0.90390555515233 15.999 24 O 0.74419665492441 0.25580334507559 0.25000000000000 15.999 25 O 0.67583897656950 0.33466991017937 0.44234902530784 15.999 26 O 0.32416102343050 0.66533008982063 0.55765097469216 15.999 27 O 0.25580334507559 0.74419665492441 0.75000000000000 15.999 28 O 0.07905945401637 0.44985191432291 0.09609444484767 15.999 29 O 0.42533313201036 0.07863513024143 0.09644465132041 15.999 30 O 0.30034060004872 0.31276406988760 0.28012185742480 15.999 31 O 0.33466991017937 0.67583897656950 0.94234902530784 15.999 32 O 0.44985191432291 0.07905945401637 0.59609444484767 15.999 33 O 0.07863513024143 0.42533313201036 0.59644465132041 15.999 34 O 0.31276406988760 0.30034060004872 0.78012185742480 15.999 35 O 0.08278197718156 0.11879495400973 0.15544998898521 15.999 36 O 0.09596553521949 0.12870176479460 0.39879405701815 15.999 37 O 0.11879495400973 0.08278197718156 0.65544998898521 15.999 38 O 0.12870176479460 0.09596553521949 0.89879405701815 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.786602850029272 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725383640000000 0.000000000000000 c -3.694614882270222 0.000000000000000 12.312563085466797 Atomic positions (fractional): 1 Dy 0.19053965798670 0.50287023255956 0.04784951802515 162.500 > 1 2 Dy 0.19053965798670 0.49712976744044 0.54784951802515 162.500 > 2 3 Dy 0.30946034201329 0.00287023255956 0.45215048197485 162.500 > 3 4 Dy 0.30946034201329 0.99712976744044 0.95215048197485 162.500 > 4 5 Dy 0.69053965798671 0.00287023255956 0.04784951802515 162.500 > 1 6 Dy 0.69053965798671 0.99712976744044 0.54784951802515 162.500 > 2 7 Dy 0.80946034201329 0.50287023255956 0.45215048197485 162.500 > 3 8 Dy 0.80946034201329 0.49712976744044 0.95215048197485 162.500 > 4 9 P 0.26174569005929 0.51080171300704 0.33806571660477 30.974 > 9 10 P 0.26174569005929 0.48919828699296 0.83806571660477 30.974 > 10 11 P 0.48901799313315 0.65760546290648 0.13355190739609 30.974 > 11 12 P 0.01098200686685 0.15760546290648 0.36644809260391 30.974 > 12 13 P 0.48901799313315 0.34239453709352 0.63355190739609 30.974 > 13 14 P 0.01098200686685 0.84239453709352 0.86644809260391 30.974 > 14 15 P 0.23825430994071 0.01080171300704 0.16193428339523 30.974 > 15 16 P 0.23825430994071 0.98919828699296 0.66193428339523 30.974 > 16 17 P 0.76174569005929 0.01080171300704 0.33806571660477 30.974 > 9 18 P 0.76174569005929 0.98919828699296 0.83806571660477 30.974 > 10 19 P 0.98901799313315 0.15760546290648 0.13355190739609 30.974 > 11 20 P 0.51098200686685 0.65760546290648 0.36644809260391 30.974 > 12 21 P 0.98901799313315 0.84239453709352 0.63355190739609 30.974 > 13 22 P 0.51098200686685 0.34239453709352 0.86644809260391 30.974 > 14 23 P 0.73825430994071 0.51080171300704 0.16193428339523 30.974 > 15 24 P 0.73825430994071 0.48919828699296 0.66193428339523 30.974 > 16 25 O 0.38766634999295 0.51636811478756 0.10120594298185 15.999 > 25 26 O 0.39921153440435 0.51800648841409 0.34455001101479 15.999 > 26 27 O 0.38766634999295 0.48363188521244 0.60120594298185 15.999 > 27 28 O 0.39921153440435 0.48199351158591 0.84455001101479 15.999 > 28 29 O 0.19344766503184 0.50621173491944 0.21987814257520 15.999 > 29 30 O 0.24801586887411 0.32665099911554 0.40355534867959 15.999 > 30 31 O 0.23554431583036 0.68539623015327 0.40390555515233 15.999 > 31 32 O 0.49474555662557 0.82941546680494 0.05765097469216 15.999 > 32 33 O 0.19344766503184 0.49378826508056 0.71987814257520 15.999 > 33 34 O 0.24801586887411 0.67334900088446 0.90355534867959 15.999 > 34 35 O 0.23554431583036 0.31460376984673 0.90390555515233 15.999 > 35 36 O 0.00000000000000 0.25580334507559 0.25000000000000 15.999 > 36 37 O 0.00525444337443 0.32941546680494 0.44234902530784 15.999 > 37 38 O 0.49474555662557 0.17058453319506 0.55765097469216 15.999 > 38 39 O 0.00000000000000 0.74419665492441 0.75000000000000 15.999 > 39 40 O 0.26445568416964 0.18539623015327 0.09609444484767 15.999 > 40 41 O 0.25198413112589 0.82665099911554 0.09644465132041 15.999 > 41 42 O 0.30655233496816 0.00621173491944 0.28012185742480 15.999 > 42 43 O 0.00525444337443 0.67058453319506 0.94234902530784 15.999 > 43 44 O 0.26445568416964 0.81460376984673 0.59609444484767 15.999 > 44 45 O 0.25198413112589 0.17334900088446 0.59644465132041 15.999 > 45 46 O 0.30655233496816 0.99378826508056 0.78012185742480 15.999 > 46 47 O 0.10078846559565 0.01800648841409 0.15544998898521 15.999 > 47 48 O 0.11233365000705 0.01636811478756 0.39879405701815 15.999 > 48 49 O 0.10078846559565 0.98199351158591 0.65544998898521 15.999 > 49 50 O 0.11233365000705 0.98363188521244 0.89879405701815 15.999 > 50 51 O 0.88766634999295 0.01636811478756 0.10120594298185 15.999 > 25 52 O 0.89921153440435 0.01800648841409 0.34455001101479 15.999 > 26 53 O 0.88766634999295 0.98363188521244 0.60120594298185 15.999 > 27 54 O 0.89921153440435 0.98199351158591 0.84455001101479 15.999 > 28 55 O 0.69344766503184 0.00621173491944 0.21987814257520 15.999 > 29 56 O 0.74801586887411 0.82665099911554 0.40355534867959 15.999 > 30 57 O 0.73554431583036 0.18539623015327 0.40390555515233 15.999 > 31 58 O 0.99474555662557 0.32941546680494 0.05765097469216 15.999 > 32 59 O 0.69344766503184 0.99378826508056 0.71987814257520 15.999 > 33 60 O 0.74801586887411 0.17334900088446 0.90355534867959 15.999 > 34 61 O 0.73554431583036 0.81460376984673 0.90390555515233 15.999 > 35 62 O 0.50000000000000 0.75580334507559 0.25000000000000 15.999 > 36 63 O 0.50525444337443 0.82941546680494 0.44234902530784 15.999 > 37 64 O 0.99474555662557 0.67058453319506 0.55765097469216 15.999 > 38 65 O 0.50000000000000 0.24419665492441 0.75000000000000 15.999 > 39 66 O 0.76445568416964 0.68539623015327 0.09609444484767 15.999 > 40 67 O 0.75198413112589 0.32665099911554 0.09644465132041 15.999 > 41 68 O 0.80655233496816 0.50621173491944 0.28012185742480 15.999 > 42 69 O 0.50525444337443 0.17058453319506 0.94234902530784 15.999 > 43 70 O 0.76445568416964 0.31460376984673 0.59609444484767 15.999 > 44 71 O 0.75198413112589 0.67334900088446 0.59644465132041 15.999 > 45 72 O 0.80655233496816 0.49378826508056 0.78012185742480 15.999 > 46 73 O 0.60078846559565 0.51800648841409 0.15544998898521 15.999 > 47 74 O 0.61233365000705 0.51636811478756 0.39879405701815 15.999 > 48 75 O 0.60078846559565 0.48199351158591 0.65544998898521 15.999 > 49 76 O 0.61233365000705 0.48363188521244 0.89879405701815 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9048405 0.0000000 -0.0574919 0.0000000 2.8459074 0.0000000 -0.0574933 0.0000000 3.0299165 -------------------------- Born effective charges -------------------------- 1 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 2 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 3 Dy 3.8247052 -0.0979429 -0.1419603 -0.2145050 3.9729662 -0.0098158 -0.2244593 0.1959203 4.1772122 4 Dy 3.8247052 0.0979429 -0.1419603 0.2145050 3.9729662 0.0098158 -0.2244593 -0.1959203 4.1772122 5 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 6 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 7 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 8 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 9 P 4.0808907 0.2934422 0.1712150 0.0418087 3.1103607 0.3226440 -0.0227914 -0.2857904 3.7989853 10 P 4.0808907 -0.2934422 0.1712150 -0.0418087 3.1103607 -0.3226440 -0.0227914 0.2857904 3.7989853 11 P 3.5745424 -0.2437669 -0.3629031 -0.6111035 3.3502185 0.0327988 -0.0765667 -0.0311516 4.1353022 12 P 3.5745424 0.2437669 -0.3629031 0.6111035 3.3502185 -0.0327988 -0.0765667 0.0311516 4.1353022 13 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 14 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 15 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 16 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 17 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 18 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 19 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 20 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 21 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 22 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 23 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 24 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 25 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 26 O -1.8168755 0.1249425 -0.1310116 0.2099672 -1.7051381 -0.6204857 -0.1091420 -0.6814868 -1.5380832 27 O -1.1887918 0.0000000 0.4255026 0.0000000 -0.9485977 0.0000000 0.3775965 0.0000000 -3.1148056 28 O -1.2057047 -0.1410582 0.4716378 0.1604508 -2.3436145 0.3854879 0.4509472 0.2702302 -1.7710648 29 O -1.2586537 0.2956117 0.3717933 0.0888208 -2.3789574 -0.5820523 0.3329338 -0.3210597 -1.7977661 30 O -1.0523897 0.1209585 0.0825660 0.1685618 -1.1104545 0.0728840 0.0348601 0.0577183 -3.1793861 31 O -1.8168755 -0.1249425 -0.1310116 -0.2099672 -1.7051381 0.6204857 -0.1091420 0.6814868 -1.5380832 32 O -1.2057047 0.1410582 0.4716378 -0.1604508 -2.3436145 -0.3854879 0.4509472 -0.2702302 -1.7710648 33 O -1.2586537 -0.2956117 0.3717933 -0.0888208 -2.3789574 0.5820523 0.3329338 0.3210597 -1.7977661 34 O -1.0523897 -0.1209585 0.0825660 -0.1685618 -1.1104545 -0.0728840 0.0348601 -0.0577183 -3.1793861 35 O -3.2047668 0.8440316 -0.2666530 0.8071934 -1.1736253 0.1527258 -0.0811470 0.0589421 -1.0257474 36 O -2.3473520 0.5251614 -0.4074354 0.4439110 -1.2474567 0.1720381 -0.4934329 0.3107605 -1.2420494 37 O -3.2047668 -0.8440316 -0.2666530 -0.8071934 -1.1736253 -0.1527258 -0.0811470 -0.0589421 -1.0257474 38 O -2.3473520 -0.5251614 -0.4074354 -0.4439110 -1.2474567 -0.1720381 -0.4934329 -0.3107605 -1.2420494 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.961 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.044 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 13.602 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 14.312 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 14.882 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 16.646 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.937 ( 0.000 0.000 0.000) 0.000 16.971 ( 0.000 0.000 0.000) 0.000 16.988 ( 0.000 0.000 0.000) 0.000 17.186 ( 0.000 0.000 0.000) 0.000 19.574 ( 0.000 0.000 0.000) 0.000 19.686 ( 0.000 0.000 0.000) 0.000 21.488 ( 0.000 0.000 0.000) 0.000 21.581 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 23.210 ( 0.000 0.000 0.000) 0.000 27.661 ( 0.000 0.000 0.000) 0.000 28.137 ( 0.000 0.000 0.000) 0.000 29.144 ( 0.000 0.000 0.000) 0.000 29.369 ( 0.000 0.000 0.000) 0.000 29.740 ( 0.000 0.000 0.000) 0.000 29.951 ( 0.000 0.000 0.000) 0.000 30.723 ( 0.000 0.000 0.000) 0.000 31.000 ( 0.000 0.000 0.000) 0.000 31.103 ( 0.000 0.000 0.000) 0.000 31.156 ( 0.000 0.000 0.000) 0.000 31.764 ( 0.000 0.000 0.000) 0.000 31.821 ( 0.000 0.000 0.000) 0.000 31.997 ( 0.000 0.000 0.000) 0.000 32.153 ( 0.000 0.000 0.000) 0.000 32.157 ( 0.000 0.000 0.000) 0.000 32.189 ( 0.000 0.000 0.000) 0.000 32.218 ( 0.000 0.000 0.000) 0.000 32.353 ( 0.000 0.000 0.000) 0.000 34.309 ( 0.000 0.000 0.000) 0.000 34.452 ( 0.000 0.000 0.000) 0.000 34.735 ( 0.000 0.000 0.000) 0.000 35.359 ( 0.000 0.000 0.000) 0.000 35.629 ( 0.000 0.000 0.000) 0.000 35.781 ( 0.000 0.000 0.000) 0.000 35.848 ( 0.000 0.000 0.000) 0.000 37.755 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 11.020 -22.685 3.303) 25.436 0.600 ( 27.623 -19.344 4.994) 34.091 0.827 ( 22.467 -33.275 4.458) 40.396 1.857 ( -2.507 -2.098 -8.770) 9.359 2.034 ( 3.011 -8.566 -2.478) 9.412 2.481 ( 9.715 -1.418 7.168) 12.156 2.734 ( 6.261 1.335 0.719) 6.442 2.924 ( 0.448 -0.191 0.138) 0.506 3.079 ( 1.160 -4.895 -1.108) 5.151 3.170 ( -2.762 2.832 0.077) 3.957 3.325 ( -0.697 2.698 0.272) 2.799 3.436 ( -1.316 -5.359 1.758) 5.791 3.689 ( 1.618 1.498 2.120) 3.059 3.717 ( 2.243 -1.517 -5.227) 5.887 3.779 ( -0.126 -1.350 -0.172) 1.367 3.972 ( 2.680 -0.086 1.492) 3.068 4.046 ( 1.181 -0.103 0.666) 1.360 4.116 ( 0.064 -0.005 -6.019) 6.019 4.212 ( -1.684 -0.476 3.983) 4.351 4.376 ( 3.314 3.369 0.626) 4.768 4.411 ( -1.118 -2.452 -0.294) 2.710 4.508 ( -1.129 0.695 -1.148) 1.754 4.710 ( -0.130 -3.584 -2.263) 4.241 4.733 ( -2.835 -2.362 5.933) 6.987 4.823 ( 7.553 3.408 -4.735) 9.544 4.969 ( -0.344 -2.656 -5.514) 6.130 5.088 ( 5.889 0.840 6.221) 8.608 5.274 ( 2.706 1.867 2.502) 4.132 5.554 ( -1.426 2.054 1.919) 3.152 5.919 ( -4.379 6.023 0.240) 7.451 6.038 ( -11.445 1.415 0.806) 11.560 6.168 ( 0.564 0.621 -3.021) 3.135 6.497 ( -20.643 -9.354 -12.751) 26.004 6.579 ( -3.839 1.082 -1.022) 4.117 7.353 ( -0.247 1.290 0.751) 1.513 7.405 ( 0.067 4.491 4.009) 6.021 7.521 ( -1.567 -4.543 -18.339) 18.958 7.621 ( -1.538 -4.229 14.206) 14.901 7.856 ( -1.705 -0.156 9.884) 10.032 8.038 ( -12.809 -1.669 1.071) 12.961 8.349 ( -0.984 3.025 -0.194) 3.187 8.397 ( -7.387 -1.598 0.381) 7.567 8.588 ( 3.916 -1.531 0.573) 4.244 8.736 ( 0.703 3.865 5.263) 6.568 8.830 ( 2.965 2.240 0.628) 3.769 8.885 ( -1.748 -3.144 1.843) 4.042 9.507 ( -4.639 5.078 -0.512) 6.897 9.689 ( -2.715 2.686 -0.980) 3.943 10.002 ( -4.760 0.340 2.875) 5.571 10.105 ( 3.559 -1.094 -3.762) 5.293 10.114 ( -1.384 0.405 -0.055) 1.443 10.412 ( -2.538 -0.884 -0.218) 2.696 10.774 ( 0.077 -0.941 -0.790) 1.231 10.861 ( -5.719 -0.516 3.506) 6.728 10.904 ( 6.629 -1.299 4.482) 8.107 11.036 ( 10.694 -1.305 -4.082) 11.521 12.018 ( -2.406 2.924 0.523) 3.822 12.077 ( -2.888 2.493 0.657) 3.871 12.845 ( -0.877 3.601 -1.066) 3.857 12.954 ( -2.470 1.757 -1.413) 3.344 13.040 ( 1.218 1.013 2.280) 2.776 13.255 ( -0.975 0.069 -0.619) 1.157 13.533 ( -1.838 -1.821 0.323) 2.607 13.603 ( -0.155 -1.269 1.331) 1.846 13.740 ( 15.276 9.579 -13.869) 22.748 13.997 ( 2.566 -0.904 3.365) 4.327 14.292 ( 0.450 -3.249 0.282) 3.292 14.436 ( -1.293 -7.078 -4.324) 8.395 14.811 ( 2.441 1.671 0.007) 2.958 14.905 ( 0.539 -1.773 2.710) 3.284 15.078 ( 20.336 5.350 0.121) 21.028 15.294 ( 11.257 4.191 0.273) 12.015 15.377 ( 41.348 19.118 -2.969) 45.650 15.454 ( 3.111 -1.281 2.419) 4.144 16.573 ( -3.675 4.673 0.372) 5.956 16.648 ( -0.465 -0.310 0.624) 0.838 16.726 ( 2.766 -0.629 0.398) 2.864 16.885 ( -5.170 -3.730 2.495) 6.846 16.953 ( 2.317 -1.577 -0.887) 2.939 16.970 ( 4.196 0.357 -9.496) 10.388 17.005 ( 0.884 -0.655 1.260) 1.673 17.221 ( -2.051 -1.072 -0.577) 2.385 19.580 ( 0.534 -0.418 0.092) 0.684 19.781 ( -0.403 -2.072 -0.611) 2.198 21.476 ( 0.649 3.526 -1.030) 3.730 21.567 ( -0.319 1.663 0.136) 1.699 23.043 ( -9.961 -0.615 -1.728) 10.129 23.229 ( -1.838 -2.424 -0.626) 3.106 27.716 ( 12.240 3.823 -16.256) 20.705 28.120 ( -0.126 2.542 3.007) 3.939 29.236 ( 9.112 4.045 10.018) 14.133 29.471 ( 2.726 -0.437 0.073) 2.761 29.739 ( -0.181 0.353 1.240) 1.302 29.934 ( -0.250 1.681 -0.290) 1.724 30.755 ( 3.066 -1.254 -1.451) 3.616 31.053 ( 0.155 3.335 0.768) 3.426 31.231 ( -0.862 -6.185 1.039) 6.331 31.522 ( -8.526 -3.368 -5.348) 10.613 31.765 ( -6.290 -4.217 -4.649) 8.886 31.932 ( -6.130 -1.482 -5.457) 8.340 32.063 ( -3.394 -5.392 2.298) 6.773 32.167 ( 0.211 -1.479 -0.509) 1.578 32.196 ( -1.494 -2.794 -2.530) 4.054 32.229 ( 0.189 -1.469 -0.152) 1.489 32.371 ( 1.171 -1.674 -0.158) 2.049 33.288 ( 10.393 6.507 -11.876) 17.070 34.301 ( 0.289 0.413 -0.077) 0.510 34.510 ( -1.589 -6.971 -0.989) 7.218 34.720 ( -5.118 2.391 15.776) 16.756 35.373 ( 3.924 0.945 1.735) 4.393 35.683 ( 6.228 5.604 3.294) 9.002 35.816 ( 5.824 -0.494 -0.368) 5.857 36.866 ( -4.131 10.066 21.992) 24.536 37.650 ( 1.647 12.281 -0.506) 12.401 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 9.798 -21.227 2.381) 23.500 1.176 ( 29.260 -15.577 4.897) 33.508 1.487 ( 11.609 -24.482 1.072) 27.116 1.913 ( 2.160 -7.244 -7.185) 10.430 2.261 ( 5.793 -13.531 -3.397) 15.106 2.608 ( 5.305 -3.860 5.817) 8.768 2.739 ( 2.773 3.402 -2.120) 4.875 2.946 ( 5.788 2.575 2.128) 6.683 3.130 ( -1.697 -0.134 0.192) 1.713 3.148 ( -2.363 -1.567 -0.832) 2.955 3.265 ( 0.217 2.834 6.013) 6.651 3.492 ( -1.670 -2.629 1.618) 3.510 3.706 ( 5.176 -0.006 2.278) 5.655 3.740 ( -2.030 -2.908 -2.188) 4.168 3.854 ( 4.704 -3.899 -2.225) 6.502 3.995 ( 1.805 1.734 5.343) 5.900 4.071 ( 1.066 -4.686 -8.436) 9.709 4.144 ( 3.275 -5.007 -7.562) 9.643 4.218 ( -3.551 -0.871 6.570) 7.519 4.365 ( 1.374 2.105 0.472) 2.558 4.449 ( -2.585 -3.818 0.725) 4.667 4.492 ( -0.005 0.304 -3.102) 3.117 4.681 ( -3.905 -2.653 2.906) 5.543 4.814 ( 3.427 2.027 -1.800) 4.370 4.844 ( 0.611 -4.585 -2.814) 5.414 4.972 ( 0.098 0.532 -6.333) 6.356 5.164 ( 1.046 -3.500 4.698) 5.951 5.270 ( 3.703 3.697 2.681) 5.879 5.494 ( -0.873 4.584 2.644) 5.363 5.781 ( -7.321 2.536 1.889) 7.975 5.893 ( -11.383 3.198 3.245) 12.261 6.103 ( -4.165 3.814 -3.985) 6.912 6.369 ( -9.571 3.971 -7.249) 12.646 6.515 ( -3.848 1.469 -0.289) 4.129 7.320 ( -0.592 0.629 -2.926) 3.051 7.370 ( 0.200 2.444 5.815) 6.311 7.541 ( -1.014 -4.730 -12.157) 13.084 7.693 ( 2.710 -0.571 2.018) 3.427 7.893 ( -8.936 -0.285 17.183) 19.370 7.936 ( -2.395 -2.370 -6.721) 7.519 8.243 ( -3.167 6.778 -1.092) 7.561 8.395 ( -5.999 -4.736 0.762) 7.680 8.622 ( 8.364 5.666 4.293) 10.977 8.701 ( 0.387 1.615 0.985) 1.931 8.826 ( 4.586 2.482 0.305) 5.223 8.914 ( 0.764 -0.087 0.851) 1.147 9.364 ( -3.350 6.681 -0.618) 7.499 9.577 ( -4.592 5.977 -1.028) 7.607 9.933 ( -7.268 1.600 2.494) 7.849 10.081 ( -3.760 0.212 -0.525) 3.802 10.138 ( 2.340 0.295 -3.123) 3.914 10.415 ( 1.095 -0.357 0.358) 1.206 10.791 ( 0.879 -0.748 -1.745) 2.092 10.824 ( -6.079 -1.376 3.654) 7.225 11.036 ( 7.344 -3.900 4.138) 9.288 11.163 ( 10.841 -2.956 -4.209) 11.999 11.928 ( -3.592 3.947 0.766) 5.391 11.989 ( -4.268 3.692 -0.332) 5.653 12.752 ( -2.182 4.439 -2.485) 5.536 12.895 ( -2.901 2.483 1.427) 4.077 13.059 ( 3.520 0.367 2.090) 4.110 13.239 ( -0.787 0.391 -1.658) 1.877 13.547 ( 0.417 -0.840 -0.624) 1.126 13.623 ( -1.585 -1.258 2.342) 3.095 13.686 ( 4.585 4.375 -6.228) 8.885 14.006 ( -0.566 1.694 2.916) 3.420 14.367 ( 2.187 -3.526 -0.105) 4.151 14.538 ( 1.842 -3.960 -1.437) 4.598 14.828 ( -0.202 -0.606 -0.872) 1.080 14.973 ( 6.466 -3.626 3.149) 8.055 15.199 ( 7.335 -3.957 -2.497) 8.700 15.371 ( 12.513 0.290 -0.659) 12.534 15.453 ( 21.772 7.013 -3.277) 23.107 15.534 ( 5.058 -2.456 3.602) 6.678 16.475 ( -3.223 2.916 1.506) 4.600 16.648 ( -1.024 -0.214 1.022) 1.463 16.772 ( 2.192 -1.857 -0.119) 2.875 16.877 ( -3.803 -0.555 2.054) 4.358 16.981 ( 3.652 -0.231 -4.467) 5.774 17.019 ( 2.420 -2.397 -6.831) 7.633 17.034 ( 0.093 -2.174 4.076) 4.620 17.208 ( -2.725 -0.118 0.347) 2.750 19.599 ( 1.156 -0.896 0.136) 1.469 19.822 ( 3.025 -1.266 0.232) 3.287 21.395 ( -2.610 4.703 -0.681) 5.422 21.522 ( -1.240 2.883 0.376) 3.161 22.955 ( -7.140 0.554 -0.841) 7.211 23.240 ( -2.759 -1.853 -0.467) 3.356 27.728 ( 4.830 0.616 -6.250) 7.923 28.067 ( -0.696 4.452 3.716) 5.840 29.299 ( 5.047 -0.665 5.818) 7.731 29.518 ( 3.148 -2.165 -2.568) 4.604 29.728 ( -0.521 1.241 1.074) 1.722 29.900 ( 0.224 1.806 -0.613) 1.921 30.812 ( 2.663 -2.589 -1.501) 4.006 31.016 ( 0.316 1.812 1.165) 2.177 31.315 ( -3.393 -5.389 2.235) 6.749 31.501 ( 0.222 -0.154 0.196) 0.334 31.754 ( -6.053 -3.313 -5.752) 8.983 31.881 ( -1.726 1.568 -3.755) 4.420 32.080 ( -1.453 0.836 3.778) 4.133 32.179 ( -1.704 -0.106 -1.503) 2.275 32.267 ( -2.576 -7.023 -1.135) 7.567 32.273 ( 2.178 -4.282 -1.453) 5.019 32.424 ( 3.876 -1.346 0.577) 4.143 33.230 ( 6.317 6.685 -5.791) 10.869 34.314 ( 1.001 -1.421 -0.029) 1.739 34.612 ( -4.048 -5.863 1.464) 7.273 34.681 ( -2.849 -1.210 4.660) 5.595 35.407 ( 6.809 2.134 3.844) 8.105 35.657 ( 2.749 3.204 0.443) 4.245 35.890 ( 5.922 -1.570 -0.745) 6.172 36.643 ( -13.460 11.684 7.998) 19.536 37.439 ( 4.923 15.053 -0.538) 15.847 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 7.586 -18.148 1.920) 19.763 1.646 ( 25.480 -5.934 3.600) 26.409 1.862 ( 2.868 -15.876 -2.243) 16.288 2.053 ( 1.367 -7.963 -3.915) 8.978 2.493 ( 4.827 -7.143 -0.604) 8.642 2.660 ( -4.010 3.907 -5.131) 7.594 2.765 ( -0.331 -5.482 -1.254) 5.633 2.888 ( 1.984 3.467 5.409) 6.724 3.119 ( 0.412 2.089 0.985) 2.347 3.171 ( 1.410 -4.173 1.520) 4.660 3.307 ( 4.874 -2.412 8.752) 10.304 3.501 ( -3.641 -0.771 2.640) 4.563 3.726 ( -2.194 1.789 -2.363) 3.688 3.785 ( 2.955 -0.514 1.767) 3.481 3.934 ( 1.398 -2.251 -2.565) 3.688 4.027 ( 6.803 -1.687 2.212) 7.350 4.165 ( -0.572 -2.725 -5.721) 6.363 4.213 ( 0.814 -3.311 2.549) 4.257 4.281 ( 6.620 -3.183 -9.845) 12.283 4.357 ( 1.079 -6.558 -1.117) 6.739 4.481 ( 0.372 -1.975 2.717) 3.380 4.498 ( 0.275 -0.969 -1.193) 1.561 4.728 ( 1.110 0.382 4.836) 4.976 4.811 ( -0.643 -1.464 -0.006) 1.599 4.894 ( 0.245 -3.693 -3.859) 5.347 4.924 ( -2.784 1.949 -1.520) 3.723 5.144 ( -2.392 8.195 -2.225) 8.822 5.260 ( -1.022 -1.766 0.711) 2.160 5.445 ( -0.248 1.033 3.498) 3.655 5.676 ( -11.450 3.106 2.688) 12.164 5.801 ( -1.698 -0.143 5.790) 6.035 5.975 ( -4.999 3.589 -3.194) 6.933 6.168 ( -5.106 8.485 -6.553) 11.875 6.464 ( -2.369 1.202 0.302) 2.674 7.308 ( -0.523 0.160 -0.994) 1.134 7.366 ( -0.713 -1.775 2.346) 3.027 7.583 ( 0.157 -4.001 -9.258) 10.087 7.716 ( 1.495 0.401 2.358) 2.821 7.761 ( -5.860 5.938 2.999) 8.865 8.063 ( 0.381 -2.945 -1.516) 3.334 8.085 ( -3.686 1.271 5.023) 6.359 8.425 ( -5.615 -4.974 -0.008) 7.501 8.573 ( 1.933 7.142 2.862) 7.933 8.704 ( 5.413 1.685 -0.128) 5.670 8.839 ( 4.196 1.270 0.895) 4.475 8.911 ( 3.253 2.457 -0.097) 4.078 9.233 ( -2.774 5.110 -0.621) 5.848 9.417 ( -5.806 6.697 0.005) 8.863 9.840 ( -5.984 2.142 0.656) 6.389 10.041 ( -5.320 -1.186 -0.599) 5.483 10.118 ( 1.936 3.450 -1.102) 4.107 10.433 ( 1.309 0.098 0.227) 1.332 10.803 ( -0.072 -0.908 0.074) 0.914 10.821 ( -2.080 -1.719 0.885) 2.840 11.162 ( 5.066 -2.538 2.280) 6.107 11.305 ( 8.786 -3.567 -2.013) 9.693 11.847 ( -1.836 2.711 1.269) 3.512 11.894 ( -3.613 2.433 -1.415) 4.580 12.664 ( -1.741 2.752 -2.290) 3.981 12.821 ( -3.934 3.173 2.335) 5.567 13.089 ( 2.373 0.442 1.388) 2.784 13.225 ( 0.944 0.413 -2.721) 2.910 13.566 ( 1.674 -0.255 -0.118) 1.698 13.628 ( -1.651 -0.631 1.585) 2.374 13.656 ( 0.703 0.916 -2.033) 2.339 13.971 ( -0.833 1.899 1.359) 2.479 14.439 ( 2.095 -2.670 -0.029) 3.394 14.580 ( 1.255 -0.533 -0.980) 1.679 14.801 ( -3.120 0.877 -0.373) 3.263 15.117 ( 2.764 -4.439 2.857) 5.959 15.341 ( 8.626 -4.582 -1.055) 9.824 15.489 ( 7.612 -2.524 -2.520) 8.406 15.530 ( 13.549 3.092 -1.395) 13.967 15.640 ( 5.530 -2.864 2.573) 6.738 16.436 ( -1.616 -0.457 2.207) 2.773 16.637 ( -1.192 0.660 0.268) 1.388 16.807 ( -1.361 -0.727 0.585) 1.650 16.872 ( 0.737 -1.312 0.578) 1.612 17.011 ( 2.984 0.150 -1.433) 3.314 17.039 ( 0.105 -1.303 -2.880) 3.163 17.088 ( 0.599 -2.524 -1.074) 2.807 17.179 ( -2.100 0.853 0.584) 2.341 19.630 ( 1.542 -1.187 0.123) 1.950 19.874 ( 3.459 -1.072 0.201) 3.627 21.280 ( -3.685 4.829 -0.536) 6.098 21.458 ( -1.703 2.900 0.451) 3.394 22.895 ( -4.209 -0.018 -0.533) 4.243 23.240 ( -2.301 -1.227 -0.277) 2.623 27.753 ( 2.363 -1.161 -2.628) 3.720 27.988 ( -1.121 4.907 2.567) 5.651 29.377 ( 3.129 -2.187 4.369) 5.802 29.578 ( 2.436 -2.417 -1.969) 3.957 29.689 ( -1.177 2.440 -1.046) 2.903 29.886 ( 1.409 0.728 -0.278) 1.610 30.874 ( 2.160 -2.465 -1.389) 3.559 31.001 ( 0.110 0.812 1.550) 1.753 31.363 ( -4.391 -4.619 2.677) 6.912 31.513 ( 2.247 1.643 1.462) 3.145 31.735 ( -3.895 -2.499 -5.018) 6.826 31.834 ( -0.448 1.559 -2.959) 3.375 32.057 ( -0.379 1.769 3.929) 4.325 32.139 ( -5.957 -0.506 -2.997) 6.688 32.335 ( 1.720 -3.419 -1.242) 4.023 32.389 ( -0.248 -6.160 -0.101) 6.166 32.480 ( 5.186 0.143 1.398) 5.373 33.163 ( 3.992 5.502 -3.441) 7.619 34.361 ( 1.507 -2.473 0.259) 2.908 34.586 ( -3.111 2.236 4.635) 6.014 34.778 ( -2.982 -9.781 -3.304) 10.746 35.449 ( 8.558 3.140 5.515) 10.655 35.633 ( 2.059 2.417 -0.323) 3.191 35.956 ( 0.114 -2.035 0.220) 2.050 36.321 ( -10.560 12.495 0.880) 16.384 37.274 ( 4.616 10.168 -0.144) 11.168 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 2.998 -8.358 1.230) 8.964 1.838 ( 7.728 -0.051 0.586) 7.750 2.095 ( 2.036 -6.077 -0.289) 6.415 2.172 ( 2.793 -6.447 -2.992) 7.636 2.526 ( -3.077 5.579 -1.786) 6.617 2.592 ( -1.339 -0.941 1.741) 2.390 2.640 ( -0.209 4.281 -0.335) 4.299 3.060 ( 0.627 -0.792 -2.599) 2.788 3.111 ( 2.586 -6.058 2.529) 7.056 3.265 ( 0.391 -7.487 4.381) 8.683 3.431 ( 4.119 0.406 3.448) 5.387 3.474 ( -4.966 0.896 -1.351) 5.223 3.643 ( 3.683 2.739 2.070) 5.035 3.752 ( -5.302 3.238 -2.028) 6.535 3.916 ( -1.429 1.049 -2.334) 2.931 4.143 ( 0.389 0.103 0.921) 1.005 4.186 ( 6.200 -4.185 0.052) 7.481 4.298 ( 4.183 -2.597 1.298) 5.092 4.356 ( 2.690 -3.154 -3.187) 5.229 4.470 ( -1.401 -0.809 0.760) 1.787 4.483 ( 0.980 3.018 -5.103) 6.009 4.587 ( 2.525 -4.846 1.737) 5.734 4.725 ( 2.286 -1.271 3.188) 4.124 4.826 ( -3.548 -1.137 -2.601) 4.544 4.892 ( -1.725 -0.324 0.374) 1.794 4.966 ( 2.276 1.148 1.054) 2.759 4.985 ( -0.319 -2.807 -2.806) 3.981 5.185 ( -7.442 7.974 -0.680) 10.928 5.457 ( -1.667 -2.488 2.705) 4.035 5.552 ( -1.850 3.164 1.011) 3.802 5.809 ( -0.815 0.281 0.262) 0.901 5.928 ( 0.121 -0.816 3.421) 3.519 5.999 ( -2.191 4.756 -5.410) 7.529 6.430 ( -1.174 0.721 0.155) 1.386 7.297 ( -0.287 0.368 0.474) 0.665 7.430 ( 0.023 -4.849 -0.312) 4.859 7.610 ( 2.457 0.042 -6.265) 6.730 7.617 ( -4.906 4.508 4.034) 7.788 7.753 ( 1.331 -1.772 1.312) 2.576 7.922 ( -2.164 5.509 -0.823) 5.975 8.260 ( 0.348 -10.288 3.508) 10.875 8.435 ( -1.904 3.067 -1.720) 3.999 8.461 ( -0.457 3.683 0.676) 3.773 8.730 ( 2.965 0.466 -0.166) 3.006 8.865 ( 1.797 -0.858 0.714) 2.115 8.898 ( 1.873 2.408 -0.135) 3.053 9.160 ( 0.072 1.451 -0.676) 1.603 9.272 ( -4.318 3.847 0.619) 5.816 9.772 ( -2.318 1.005 -0.039) 2.527 10.023 ( -3.484 -1.726 -0.234) 3.895 10.074 ( 1.753 3.000 -0.075) 3.476 10.437 ( 0.291 0.239 0.066) 0.383 10.822 ( 1.131 -0.374 0.205) 1.209 10.831 ( -1.391 -1.042 0.017) 1.738 11.223 ( 1.729 -0.634 0.459) 1.898 11.408 ( 3.438 -1.523 -0.220) 3.767 11.815 ( 0.033 0.758 1.221) 1.438 11.841 ( -1.526 0.576 -1.417) 2.160 12.623 ( -0.174 0.537 -1.157) 1.288 12.745 ( -2.603 1.959 1.245) 3.488 13.095 ( 0.386 0.373 0.380) 0.658 13.227 ( 1.031 0.074 -1.327) 1.683 13.583 ( 1.033 0.012 0.536) 1.164 13.626 ( -0.985 -0.237 1.071) 1.474 13.650 ( 0.094 -0.124 -1.184) 1.194 13.946 ( -0.213 0.732 0.353) 0.840 14.486 ( 0.605 -1.205 0.137) 1.355 14.590 ( 0.960 0.177 -0.567) 1.129 14.761 ( -1.609 0.657 -0.061) 1.739 15.177 ( -0.006 -1.388 0.637) 1.527 15.457 ( 3.536 -1.601 0.534) 3.918 15.558 ( 2.592 -0.732 -1.646) 3.157 15.591 ( 4.404 0.158 -0.019) 4.407 15.729 ( 2.948 -1.577 0.812) 3.441 16.463 ( 0.227 -1.977 1.701) 2.618 16.603 ( -1.049 1.613 -0.846) 2.102 16.792 ( -1.379 0.046 0.541) 1.482 16.922 ( 2.311 -1.689 0.196) 2.869 17.001 ( -1.259 1.060 -0.330) 1.679 17.061 ( 1.165 -0.702 -1.456) 1.993 17.118 ( -0.069 -1.168 -0.702) 1.365 17.153 ( -0.519 0.738 0.501) 1.032 19.659 ( 0.816 -0.630 0.051) 1.032 19.913 ( 1.503 -0.468 0.046) 1.575 21.189 ( -1.807 2.156 -0.204) 2.820 21.410 ( -0.831 1.259 0.201) 1.522 22.870 ( -1.331 -0.129 -0.191) 1.351 23.238 ( -0.873 -0.452 -0.091) 0.988 27.792 ( 1.077 -1.701 -0.907) 2.208 27.912 ( -0.856 3.093 1.039) 3.373 29.444 ( 1.454 -1.554 2.367) 3.183 29.622 ( 0.833 -1.104 -0.647) 1.527 29.633 ( -1.072 1.722 -1.481) 2.512 29.892 ( 1.029 0.140 -0.082) 1.042 30.919 ( 0.954 -1.176 -0.648) 1.647 30.996 ( -0.072 0.341 0.858) 0.926 31.413 ( -3.647 -5.121 2.963) 6.950 31.478 ( 2.491 4.810 -1.582) 5.643 31.743 ( -1.345 -2.046 -1.433) 2.837 31.806 ( 0.288 1.036 -1.291) 1.680 32.046 ( 1.615 1.410 3.272) 3.912 32.084 ( -4.724 -0.647 -2.932) 5.597 32.395 ( 1.187 -2.019 -0.826) 2.484 32.442 ( -0.690 -1.017 0.284) 1.261 32.528 ( 2.569 -0.556 0.850) 2.762 33.114 ( 1.328 2.238 -1.279) 2.900 34.412 ( 0.959 -1.588 0.177) 1.863 34.541 ( -1.289 1.428 1.593) 2.498 34.880 ( -1.583 -5.109 -2.090) 5.743 35.491 ( 5.760 1.997 3.658) 7.110 35.617 ( 1.266 1.157 -0.203) 1.727 35.914 ( -8.112 1.071 0.322) 8.189 36.143 ( 1.467 3.440 -1.204) 3.929 37.190 ( 1.652 3.523 -0.010) 3.891 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 23.530 -0.000 4.118) 23.887 0.497 ( 22.040 -0.000 5.238) 22.654 1.104 ( 53.021 -0.000 11.585) 54.272 1.811 ( 3.215 -0.000 -10.598) 11.075 1.970 ( 2.821 -0.000 -3.150) 4.229 2.632 ( 14.154 -0.000 8.531) 16.526 2.850 ( 12.175 -0.000 -0.135) 12.175 2.929 ( 0.761 -0.000 -0.446) 0.882 3.052 ( -1.282 0.000 -4.915) 5.079 3.207 ( 2.607 -0.000 2.958) 3.943 3.324 ( -0.198 0.000 0.380) 0.428 3.397 ( 0.448 -0.000 4.504) 4.526 3.713 ( 1.456 -0.000 1.710) 2.246 3.714 ( 3.081 -0.000 -7.721) 8.312 3.749 ( -2.853 0.000 -1.233) 3.108 3.995 ( 4.085 -0.000 -5.667) 6.986 4.046 ( 0.147 -0.000 0.132) 0.198 4.120 ( -7.768 0.000 5.622) 9.589 4.171 ( -0.961 0.000 -3.595) 3.722 4.372 ( 0.543 -0.000 -0.585) 0.799 4.374 ( -2.875 0.000 -1.130) 3.090 4.537 ( -7.372 0.000 3.668) 8.234 4.631 ( 6.447 -0.000 -4.361) 7.784 4.778 ( -1.808 0.000 -0.701) 1.940 4.918 ( -1.674 0.000 0.095) 1.676 5.062 ( 4.025 -0.000 -1.713) 4.374 5.261 ( 0.132 -0.000 -2.181) 2.185 5.338 ( 2.837 -0.000 -1.633) 3.273 5.607 ( 2.926 -0.000 -6.342) 6.984 5.715 ( -3.918 0.000 3.488) 5.245 5.940 ( -5.498 0.000 -0.464) 5.518 5.990 ( -12.195 0.000 2.478) 12.444 6.176 ( -3.708 0.000 -1.980) 4.204 6.521 ( -9.119 0.000 -0.644) 9.142 7.379 ( -5.270 0.000 -7.816) 9.427 7.381 ( 1.412 -0.000 1.852) 2.329 7.543 ( 2.542 -0.000 1.616) 3.012 7.547 ( -1.278 0.000 14.557) 14.613 7.863 ( -4.569 0.000 12.481) 13.291 7.913 ( -6.309 0.000 -0.197) 6.312 8.310 ( -5.681 0.000 0.466) 5.700 8.381 ( -0.250 0.000 -0.816) 0.853 8.608 ( 8.832 -0.000 4.616) 9.965 8.770 ( -2.167 0.000 4.619) 5.102 8.870 ( 0.553 -0.000 1.828) 1.909 8.872 ( 3.756 -0.000 0.671) 3.816 9.492 ( -4.959 0.000 -0.579) 4.992 9.685 ( -3.516 0.000 -1.068) 3.675 9.978 ( -4.832 0.000 3.568) 6.007 10.067 ( -5.890 0.000 -2.169) 6.276 10.106 ( 2.062 -0.000 -3.955) 4.460 10.405 ( 2.273 -0.000 0.098) 2.275 10.771 ( 0.059 -0.000 1.458) 1.459 10.806 ( -5.237 0.000 2.537) 5.819 10.986 ( 7.235 -0.000 3.865) 8.203 11.111 ( 10.217 -0.000 -4.136) 11.022 12.013 ( -4.492 0.000 1.868) 4.865 12.056 ( -5.745 0.000 0.370) 5.757 12.896 ( 1.702 -0.000 -0.172) 1.710 12.923 ( -4.380 0.000 -2.447) 5.018 13.044 ( -2.163 0.000 3.304) 3.949 13.235 ( -2.213 0.000 -1.648) 2.760 13.526 ( 2.287 -0.000 -1.276) 2.619 13.604 ( 0.741 -0.000 2.573) 2.677 13.872 ( -0.048 0.000 -14.512) 14.512 14.051 ( 6.275 -0.000 7.158) 9.519 14.368 ( 11.243 -0.000 -3.321) 11.723 14.388 ( 7.312 -0.000 -0.612) 7.338 14.849 ( -1.307 0.000 -2.448) 2.775 14.884 ( 4.036 -0.000 2.775) 4.898 15.129 ( 5.532 -0.000 -4.842) 7.352 15.378 ( 9.157 -0.000 -1.656) 9.306 15.489 ( 4.939 -0.000 4.289) 6.541 16.353 ( -5.177 0.000 -6.441) 8.263 16.586 ( -7.370 0.000 4.177) 8.472 16.648 ( 0.248 -0.000 -3.148) 3.158 16.716 ( 1.047 -0.000 -5.112) 5.218 16.801 ( 0.369 -0.000 1.326) 1.377 16.955 ( 0.594 -0.000 1.769) 1.866 17.003 ( 9.513 -0.000 -22.951) 24.844 17.028 ( 4.279 -0.000 -10.254) 11.111 17.159 ( -2.932 0.000 0.843) 3.051 19.619 ( 5.406 -0.000 -2.115) 5.805 19.741 ( 5.360 -0.000 1.128) 5.478 21.518 ( -3.295 0.000 -2.931) 4.410 21.558 ( -2.639 0.000 0.133) 2.643 22.888 ( -7.337 0.000 0.685) 7.369 23.175 ( -3.217 0.000 -1.326) 3.480 27.834 ( 8.691 -0.000 -33.511) 34.619 28.145 ( -1.537 0.000 6.433) 6.614 29.424 ( 7.021 -0.000 -4.360) 8.265 29.618 ( -3.420 0.000 13.867) 14.282 29.753 ( 0.700 -0.000 1.274) 1.454 29.925 ( -2.483 0.000 -0.947) 2.657 30.871 ( 5.612 -0.000 -12.004) 13.251 31.002 ( 0.019 -0.000 0.572) 0.572 31.110 ( -0.157 0.000 2.453) 2.458 31.158 ( 0.099 -0.000 0.233) 0.253 31.799 ( -1.919 0.000 -1.349) 2.346 31.802 ( 3.661 -0.000 0.362) 3.679 32.028 ( 1.792 -0.000 0.539) 1.871 32.124 ( -3.543 0.000 0.241) 3.552 32.190 ( 2.763 -0.000 -0.353) 2.785 32.226 ( 1.053 -0.000 0.129) 1.061 32.415 ( 5.835 -0.000 -2.303) 6.274 33.366 ( 4.281 -0.000 -20.323) 20.769 34.316 ( 1.301 -0.000 -1.839) 2.253 34.421 ( -2.546 0.000 -1.441) 2.926 34.729 ( -9.999 0.000 23.247) 25.307 35.400 ( 1.458 -0.000 4.741) 4.960 35.829 ( -0.398 0.000 -1.557) 1.607 35.847 ( 8.109 -0.000 -4.773) 9.410 37.139 ( -16.047 0.000 40.538) 43.599 37.685 ( -6.524 0.000 -1.209) 6.635 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 18.740 -12.859 3.808) 23.044 0.961 ( 14.087 -26.017 2.130) 29.662 1.622 ( 43.017 -0.803 9.338) 44.026 1.864 ( 8.349 -2.803 -4.965) 10.110 2.095 ( 6.036 -10.597 -4.383) 12.959 2.712 ( 7.538 5.489 4.657) 10.423 2.851 ( 6.733 5.379 -4.222) 9.596 3.028 ( 2.145 -3.522 0.877) 4.216 3.053 ( -1.671 -4.560 -4.520) 6.634 3.182 ( 6.691 7.058 5.230) 11.043 3.335 ( 1.989 1.017 3.410) 4.077 3.443 ( -1.449 -2.726 6.544) 7.236 3.678 ( -2.955 0.085 -3.614) 4.669 3.729 ( -1.672 -0.558 -0.445) 1.818 3.802 ( 5.085 -5.940 -3.847) 8.714 4.006 ( 1.942 -1.576 -10.489) 10.783 4.051 ( -0.612 1.628 1.790) 2.496 4.084 ( -0.547 -3.155 1.581) 3.572 4.201 ( 2.076 -1.865 5.203) 5.904 4.353 ( -4.144 -1.539 -1.393) 4.635 4.403 ( -0.091 1.430 -0.533) 1.529 4.470 ( 0.762 -2.543 -0.364) 2.679 4.696 ( -0.442 4.221 -1.735) 4.585 4.772 ( 3.684 -5.908 0.200) 6.966 4.888 ( -0.719 2.301 0.172) 2.417 4.988 ( 6.042 6.776 -7.164) 11.564 5.142 ( -3.744 1.393 0.745) 4.063 5.386 ( 5.726 1.473 3.903) 7.084 5.553 ( -0.217 2.757 3.032) 4.104 5.744 ( -11.715 2.247 0.668) 11.947 5.845 ( -9.039 2.475 2.845) 9.794 6.051 ( -8.677 -6.024 -6.659) 12.487 6.152 ( -9.789 -8.535 -5.387) 14.060 6.436 ( -10.721 -2.076 -0.010) 10.920 7.292 ( -6.107 -0.025 -6.797) 9.138 7.427 ( 0.880 -3.187 -2.282) 4.017 7.465 ( 0.910 5.740 3.148) 6.609 7.686 ( 2.520 -5.257 5.686) 8.144 7.856 ( -6.878 0.187 10.049) 12.179 7.868 ( -2.090 -1.282 0.275) 2.468 8.273 ( -6.114 -1.038 0.552) 6.226 8.321 ( -2.265 3.963 -0.937) 4.659 8.727 ( 5.812 -1.800 1.514) 6.269 8.766 ( 0.570 1.708 4.295) 4.658 8.871 ( -0.273 -0.733 1.705) 1.876 8.912 ( 5.774 0.938 1.733) 6.101 9.402 ( -6.172 3.836 -0.989) 7.334 9.611 ( -5.134 3.557 -1.148) 6.350 9.911 ( -6.207 2.501 3.021) 7.342 10.005 ( -8.157 -1.154 -1.919) 8.459 10.133 ( 1.562 -1.821 -3.690) 4.402 10.435 ( 3.657 0.068 0.325) 3.672 10.774 ( -2.687 -0.167 2.093) 3.410 10.789 ( 0.235 -1.075 0.855) 1.394 11.087 ( 9.281 -1.409 4.238) 10.300 11.207 ( 9.687 -1.748 -4.382) 10.775 11.946 ( -4.760 2.562 1.432) 5.592 11.984 ( -6.391 1.736 -0.363) 6.633 12.830 ( -0.155 6.035 -2.673) 6.602 12.883 ( -4.446 0.975 1.587) 4.821 13.060 ( -0.934 -2.445 2.989) 3.972 13.211 ( -2.501 -0.710 -2.804) 3.824 13.550 ( 2.998 -0.266 -2.309) 3.794 13.618 ( 0.208 0.224 3.667) 3.680 13.784 ( -0.194 4.479 -7.953) 9.129 14.087 ( 2.246 3.707 6.705) 7.983 14.442 ( 13.428 2.116 0.397) 13.599 14.525 ( 9.224 -3.468 -2.219) 10.101 14.819 ( -0.908 0.826 -3.488) 3.697 14.957 ( 2.434 -3.488 3.103) 5.265 15.218 ( 12.521 -2.054 -5.066) 13.662 15.465 ( 10.871 0.303 -2.305) 11.117 15.568 ( 6.282 -1.338 4.962) 8.116 15.982 ( 10.969 25.862 -3.361) 28.292 16.479 ( -6.096 2.351 1.160) 6.636 16.643 ( -0.503 -0.073 1.595) 1.674 16.775 ( -0.411 -1.748 -0.196) 1.806 16.810 ( -1.178 -2.290 -0.172) 2.581 16.977 ( 0.231 -1.856 1.125) 2.183 17.006 ( 6.135 0.574 -14.476) 15.733 17.043 ( 2.547 0.335 0.233) 2.579 17.156 ( -4.062 -1.945 0.174) 4.507 19.637 ( 6.069 2.344 -0.714) 6.545 19.839 ( 6.173 -2.127 0.591) 6.556 21.430 ( -4.915 3.684 -0.500) 6.163 21.528 ( -4.000 0.559 -0.341) 4.053 22.843 ( -9.900 -2.736 0.015) 10.271 23.162 ( -4.314 -2.812 -1.494) 5.362 27.786 ( 4.712 2.941 -13.945) 15.010 28.127 ( -2.475 2.339 6.735) 7.546 29.440 ( 7.659 6.613 3.606) 10.742 29.546 ( 4.301 2.601 0.468) 5.048 29.753 ( 0.739 0.930 1.935) 2.270 29.906 ( -2.363 -0.172 -1.075) 2.602 30.829 ( 5.489 1.345 -2.666) 6.248 31.065 ( 0.158 3.120 2.100) 3.765 31.199 ( -3.325 -6.886 0.159) 7.648 31.294 ( -5.361 -16.362 -4.766) 17.865 31.719 ( 0.438 3.762 0.132) 3.790 31.866 ( -0.328 -0.726 -2.415) 2.543 32.073 ( -1.282 -3.189 -0.798) 3.528 32.086 ( -4.316 -0.180 0.653) 4.369 32.238 ( 5.918 -0.993 1.275) 6.135 32.258 ( 3.434 -1.470 -0.390) 3.756 32.471 ( 6.471 -0.573 -1.569) 6.683 33.320 ( 1.301 2.797 -10.965) 11.391 34.314 ( 1.614 0.213 -1.593) 2.278 34.453 ( -2.874 -6.498 -2.157) 7.425 34.681 ( -7.562 1.589 14.191) 16.159 35.436 ( -1.529 -2.243 5.567) 6.194 35.788 ( 5.886 4.953 -1.150) 7.778 35.928 ( 8.564 -0.470 -5.158) 10.008 36.871 ( -7.427 19.966 18.793) 28.407 37.599 ( -6.585 4.317 -0.288) 7.879 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 14.872 -14.938 3.070) 21.301 1.513 ( 7.245 -25.986 1.012) 26.996 1.938 ( 22.425 0.663 2.202) 22.543 2.007 ( 13.997 0.319 2.904) 14.299 2.358 ( 6.924 -13.547 -5.805) 16.284 2.682 ( 0.136 2.324 -0.655) 2.419 2.769 ( 3.289 7.297 -5.066) 9.472 3.048 ( -0.391 4.886 -1.928) 5.268 3.108 ( 2.323 -3.465 3.448) 5.412 3.153 ( 2.768 2.692 3.429) 5.164 3.377 ( 6.314 0.435 6.728) 9.237 3.454 ( -6.264 -0.470 6.736) 9.211 3.672 ( -3.114 -3.893 -1.094) 5.104 3.745 ( -2.110 -3.375 -1.543) 4.269 3.943 ( 4.293 -2.842 0.937) 5.233 4.035 ( 2.262 -3.210 -11.886) 12.518 4.102 ( 9.174 -4.467 1.457) 10.307 4.128 ( -2.229 -3.799 -1.283) 4.588 4.286 ( 4.044 -1.004 -3.289) 5.308 4.311 ( -2.636 -2.120 1.620) 3.750 4.420 ( 2.061 -2.536 -0.138) 3.271 4.529 ( 2.449 0.860 0.611) 2.667 4.670 ( 0.801 -2.839 2.351) 3.772 4.862 ( -0.051 0.291 0.856) 0.905 4.870 ( 2.482 0.970 1.739) 3.182 4.921 ( 0.239 1.678 -7.744) 7.927 5.119 ( -5.787 -3.401 -0.742) 6.753 5.361 ( 2.097 9.480 -0.160) 9.710 5.468 ( -3.574 3.351 3.017) 5.753 5.644 ( -4.589 1.448 3.313) 5.842 5.763 ( -5.807 -1.611 5.081) 7.882 5.951 ( -7.936 2.041 -2.598) 8.596 6.146 ( -8.453 -1.685 -8.996) 12.458 6.391 ( -9.290 -3.232 0.873) 9.875 7.243 ( -5.316 -3.200 -6.748) 9.167 7.394 ( -0.368 3.738 1.880) 4.200 7.487 ( 0.794 -3.759 -2.813) 4.762 7.756 ( 1.249 1.108 3.715) 4.073 7.798 ( -2.473 2.073 0.329) 3.244 7.941 ( -1.199 -7.548 8.073) 11.117 8.162 ( -4.048 7.008 -1.823) 8.296 8.292 ( -5.195 -3.746 0.674) 6.440 8.711 ( 1.406 6.411 2.684) 7.091 8.779 ( 4.338 1.271 0.024) 4.521 8.896 ( -0.218 -1.418 0.260) 1.459 8.962 ( 6.124 1.596 3.234) 7.106 9.268 ( -5.561 4.489 -1.313) 7.266 9.472 ( -6.062 6.194 0.120) 8.668 9.815 ( -6.271 2.072 0.469) 6.621 9.950 ( -7.429 -1.927 -0.413) 7.686 10.150 ( 0.150 -0.108 -3.495) 3.499 10.461 ( 2.539 0.921 0.891) 2.844 10.771 ( -1.353 -1.141 3.001) 3.484 10.814 ( 1.883 -0.757 -1.386) 2.457 11.208 ( 8.129 -0.901 3.467) 8.884 11.322 ( 8.211 -2.993 -3.075) 9.265 11.874 ( -2.732 2.306 1.543) 3.894 11.887 ( -5.190 2.200 -1.484) 5.829 12.721 ( 0.639 5.775 -2.120) 6.185 12.816 ( -6.416 1.623 2.445) 7.055 13.090 ( -2.027 -1.160 2.252) 3.244 13.203 ( -0.940 -1.579 -3.701) 4.132 13.577 ( 3.277 -0.377 -3.026) 4.476 13.619 ( -0.800 0.736 5.015) 5.132 13.705 ( 0.665 2.895 -4.311) 5.235 14.041 ( 0.844 4.433 3.987) 6.022 14.522 ( 12.395 3.221 0.769) 12.830 14.630 ( 8.872 0.808 -2.013) 9.133 14.784 ( -1.636 0.756 -2.712) 3.256 15.053 ( 0.168 -5.087 2.889) 5.853 15.378 ( 12.820 -2.418 -1.202) 13.101 15.554 ( 10.460 0.479 -3.002) 10.893 15.669 ( 6.689 -1.599 3.758) 7.837 15.767 ( 7.794 12.048 -1.537) 14.431 16.416 ( -3.613 -0.129 2.045) 4.154 16.643 ( -0.145 0.409 1.931) 1.979 16.779 ( -2.637 -0.687 0.052) 2.726 16.847 ( 0.996 -2.576 -0.415) 2.793 17.011 ( -0.615 -1.285 -2.297) 2.703 17.026 ( 2.364 -1.312 -1.735) 3.213 17.058 ( 1.477 -0.328 -2.819) 3.200 17.150 ( -2.489 -1.303 -0.492) 2.852 19.661 ( 5.607 1.437 -0.092) 5.789 19.917 ( 6.345 0.142 0.550) 6.370 21.309 ( -6.240 4.256 0.046) 7.554 21.466 ( -4.603 1.494 -0.489) 4.864 22.805 ( -7.715 -3.186 -0.073) 8.348 23.171 ( -3.758 -3.339 -1.094) 5.145 27.762 ( 2.307 0.634 -5.546) 6.040 28.061 ( -2.620 4.419 4.839) 7.058 29.426 ( 4.174 2.583 5.201) 7.152 29.580 ( 4.469 -0.271 -2.481) 5.118 29.735 ( 1.354 2.970 -0.635) 3.325 29.895 ( -0.252 -0.599 -0.244) 0.694 30.871 ( 4.410 -0.821 -1.900) 4.871 31.033 ( 0.574 1.899 2.055) 2.856 31.258 ( -3.453 -4.476 2.088) 6.027 31.460 ( -3.611 -10.821 -2.860) 11.760 31.674 ( 0.505 2.710 -0.808) 2.872 31.837 ( -1.459 1.197 -2.764) 3.347 32.039 ( -6.649 -1.483 -2.259) 7.177 32.091 ( 0.188 0.483 1.877) 1.947 32.324 ( 4.507 -2.133 -1.188) 5.126 32.341 ( 5.880 -2.941 1.686) 6.787 32.535 ( 5.247 -0.247 0.286) 5.260 33.241 ( -0.814 3.816 -6.677) 7.734 34.343 ( 2.304 -1.722 -1.151) 3.098 34.543 ( -3.123 -7.450 -0.978) 8.138 34.628 ( -5.707 -0.061 7.040) 9.063 35.464 ( -5.956 -3.218 5.154) 8.509 35.774 ( 9.607 5.667 0.443) 11.162 35.979 ( 6.960 1.971 -4.755) 8.657 36.533 ( -3.232 18.192 7.587) 19.974 37.432 ( -5.110 8.234 -0.136) 9.691 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 11.527 -11.484 4.153) 16.793 1.883 ( 0.399 -11.426 0.226) 11.435 2.089 ( 11.057 0.588 0.000) 11.073 2.104 ( 8.977 -0.504 1.713) 9.153 2.552 ( 3.160 -2.957 -7.334) 8.516 2.590 ( 2.224 4.523 -3.646) 6.221 2.748 ( 1.746 3.007 -3.444) 4.894 3.003 ( 4.466 -3.712 6.064) 8.396 3.109 ( -2.468 3.268 0.000) 4.095 3.191 ( 2.144 -3.018 2.714) 4.590 3.409 ( -7.258 -1.236 4.382) 8.567 3.467 ( 3.945 -1.259 5.088) 6.560 3.689 ( -4.134 -0.613 -2.609) 4.927 3.743 ( -0.636 1.334 0.618) 1.602 3.955 ( 2.972 3.325 -1.337) 4.656 4.104 ( -0.605 -5.582 -7.789) 9.602 4.156 ( -1.020 -2.712 2.699) 3.959 4.288 ( 5.982 -3.560 4.289) 8.176 4.334 ( 1.621 -4.632 -3.527) 6.043 4.381 ( -1.991 -4.169 0.608) 4.660 4.500 ( 1.751 -4.510 0.688) 4.887 4.534 ( 4.168 0.915 -3.266) 5.374 4.731 ( -1.245 -2.769 -0.673) 3.110 4.801 ( -1.423 4.579 3.778) 6.104 4.895 ( 3.930 -2.447 0.720) 4.685 4.920 ( 1.598 -0.506 -1.925) 2.553 5.075 ( -2.023 3.905 -4.441) 6.250 5.226 ( -1.816 4.550 -0.340) 4.911 5.402 ( -3.245 1.153 4.132) 5.379 5.613 ( 2.351 1.636 -0.889) 3.000 5.779 ( -3.541 -2.063 2.225) 4.663 5.897 ( -2.589 -2.257 2.319) 4.144 6.025 ( -5.762 4.034 -6.848) 9.817 6.363 ( -8.278 -3.249 1.193) 8.972 7.255 ( -3.177 -4.162 -4.795) 7.100 7.365 ( -0.467 -1.205 1.500) 1.980 7.547 ( 0.281 -3.377 -1.081) 3.557 7.707 ( -1.507 4.235 1.694) 4.804 7.770 ( 2.170 1.288 -0.225) 2.533 7.996 ( -3.341 7.485 -1.884) 8.410 8.106 ( 0.100 -9.917 5.957) 11.569 8.324 ( -5.299 -5.690 0.516) 7.793 8.600 ( 1.120 8.861 0.007) 8.931 8.790 ( 3.241 1.609 -0.657) 3.677 8.904 ( 0.891 1.064 0.238) 1.407 8.965 ( 1.774 3.808 2.272) 4.776 9.163 ( -3.792 2.146 -1.423) 4.584 9.322 ( -3.357 5.599 1.826) 6.779 9.744 ( -4.474 -0.181 -0.631) 4.522 9.935 ( -4.479 -3.077 0.441) 5.452 10.124 ( -0.269 1.560 -3.399) 3.750 10.457 ( 0.543 1.440 1.688) 2.284 10.793 ( -1.147 -1.610 1.340) 2.388 10.846 ( 4.012 -0.268 -0.984) 4.140 11.270 ( 5.099 1.748 1.281) 5.540 11.418 ( 3.828 -1.219 -0.832) 4.103 11.810 ( -2.961 0.630 -2.076) 3.671 11.845 ( -0.640 0.740 1.703) 1.964 12.655 ( 1.941 3.159 -0.939) 3.825 12.737 ( -5.071 1.136 1.556) 5.424 13.078 ( -3.435 -0.685 0.222) 3.510 13.210 ( -1.671 -1.066 -1.367) 2.407 13.602 ( 1.606 0.745 1.085) 2.077 13.611 ( 0.143 0.018 1.087) 1.097 13.678 ( 1.815 0.855 -2.868) 3.500 13.993 ( 0.799 3.196 2.306) 4.021 14.575 ( 10.822 3.957 0.399) 11.529 14.661 ( 7.687 3.874 -1.817) 8.798 14.755 ( -0.421 0.385 -2.124) 2.199 15.133 ( -0.487 -3.652 2.300) 4.343 15.483 ( 4.430 0.298 1.478) 4.680 15.617 ( 7.954 1.833 -2.742) 8.611 15.666 ( 1.210 5.610 -0.432) 5.755 15.753 ( 4.320 -0.149 1.583) 4.604 16.433 ( 0.212 -2.831 2.063) 3.510 16.628 ( -0.262 2.028 0.925) 2.244 16.767 ( -2.057 -1.196 0.236) 2.391 16.908 ( 2.042 -2.744 -0.561) 3.466 16.992 ( -2.657 0.595 -1.043) 2.916 17.058 ( 0.294 -0.561 -0.716) 0.956 17.074 ( -1.333 -2.421 -0.113) 2.766 17.153 ( 0.459 -0.445 -2.052) 2.149 19.687 ( 4.263 1.380 0.054) 4.481 19.954 ( 4.460 1.751 0.236) 4.797 21.195 ( -5.055 2.363 0.447) 5.598 21.403 ( -3.868 0.674 -0.700) 3.988 22.804 ( -4.893 -3.758 0.095) 6.170 23.195 ( -1.981 -3.043 -0.663) 3.691 27.773 ( 1.166 -1.188 -2.187) 2.749 27.971 ( -2.105 4.698 2.526) 5.734 29.451 ( 1.738 -0.124 2.818) 3.313 29.611 ( 1.615 -0.683 -0.771) 1.915 29.686 ( 2.223 3.993 -1.480) 4.804 29.908 ( 0.898 0.123 -0.041) 0.907 30.916 ( 2.978 -0.698 -1.560) 3.434 31.020 ( 0.753 1.385 2.049) 2.585 31.310 ( -2.561 -4.805 2.795) 6.120 31.571 ( 2.196 -2.039 0.473) 3.033 31.629 ( -2.871 -1.419 -4.506) 5.528 31.807 ( -1.485 0.093 -0.883) 1.730 31.997 ( -5.533 -1.700 -3.356) 6.691 32.100 ( 2.703 0.546 3.163) 4.196 32.391 ( 4.197 -1.108 -1.474) 4.584 32.432 ( 3.517 -1.979 0.900) 4.135 32.566 ( 2.197 1.282 1.599) 3.005 33.149 ( -2.507 3.304 -4.018) 5.775 34.395 ( 2.245 -1.968 -1.071) 3.172 34.552 ( -3.343 1.355 4.604) 5.849 34.700 ( -3.061 -10.778 -1.838) 11.355 35.449 ( -10.940 -2.769 3.244) 11.742 35.760 ( 7.664 7.651 1.505) 10.933 35.974 ( 8.940 4.336 -2.611) 10.273 36.293 ( 2.488 11.804 1.759) 12.191 37.254 ( -6.087 6.395 -0.041) 8.829 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 4.755 2.578 2.793) 6.087 1.888 ( -2.061 6.671 2.743) 7.502 2.141 ( 0.655 -0.045 -1.298) 1.455 2.239 ( 7.755 -1.765 0.010) 7.954 2.468 ( -2.397 2.511 0.515) 3.509 2.592 ( 1.569 -0.080 -3.784) 4.097 2.702 ( 6.452 4.306 -5.628) 9.583 3.056 ( -0.666 0.386 2.143) 2.277 3.153 ( 1.056 -2.082 -1.458) 2.752 3.306 ( -0.725 -6.286 4.013) 7.493 3.378 ( -2.301 3.194 -2.624) 4.730 3.471 ( 0.909 -2.202 4.487) 5.081 3.595 ( -5.809 2.732 -5.375) 8.373 3.761 ( 2.995 -0.199 3.618) 4.701 3.937 ( 2.295 0.648 0.395) 2.417 4.122 ( -2.437 -0.678 -2.588) 3.619 4.187 ( -3.060 1.382 0.880) 3.471 4.275 ( -8.728 1.107 -0.537) 8.814 4.390 ( 1.949 -0.794 1.676) 2.690 4.447 ( -0.055 -2.802 5.910) 6.541 4.484 ( -0.399 4.580 -2.258) 5.122 4.550 ( -4.472 -3.207 0.252) 5.509 4.742 ( -1.457 0.601 -0.906) 1.818 4.825 ( 2.627 -2.902 0.173) 3.918 4.883 ( 0.546 1.192 -1.099) 1.711 5.012 ( 1.739 4.555 -2.142) 5.326 5.065 ( 2.989 -5.921 3.264) 7.393 5.158 ( 9.726 1.052 -0.579) 9.800 5.413 ( -0.871 -2.192 -0.463) 2.404 5.611 ( 6.401 1.804 -4.620) 8.097 5.786 ( -2.234 -1.778 1.419) 3.188 5.915 ( -2.952 1.213 -3.388) 4.655 5.946 ( -1.045 -4.093 3.961) 5.790 6.360 ( -6.503 -4.552 0.843) 7.983 7.268 ( -1.868 -1.806 -1.934) 3.239 7.444 ( 1.527 -5.908 -1.264) 6.231 7.562 ( -2.810 2.614 6.537) 7.580 7.663 ( 5.144 -0.068 -5.851) 7.791 7.782 ( 0.917 1.115 0.902) 1.703 7.875 ( -2.220 1.140 0.183) 2.502 8.287 ( 0.172 -9.707 1.913) 9.895 8.374 ( -3.879 -4.308 1.080) 5.897 8.448 ( 0.135 8.522 -1.862) 8.724 8.773 ( 1.654 3.481 -0.883) 3.954 8.870 ( -2.700 2.494 1.321) 3.906 8.898 ( -1.149 4.187 0.440) 4.364 9.117 ( -3.007 -1.685 -1.051) 3.603 9.279 ( 3.521 0.129 1.775) 3.946 9.746 ( -0.757 -3.224 -0.361) 3.331 9.969 ( -1.836 -4.263 0.505) 4.669 10.091 ( 1.201 1.326 -3.008) 3.500 10.441 ( -0.493 0.941 1.661) 1.972 10.803 ( -1.467 -0.946 0.167) 1.754 10.882 ( 5.047 1.163 -0.394) 5.195 11.259 ( 1.800 3.570 0.512) 4.031 11.409 ( -2.872 2.519 -0.500) 3.853 11.791 ( -0.951 -1.004 -2.280) 2.667 11.848 ( 0.301 -0.551 2.189) 2.278 12.635 ( 0.770 0.926 1.520) 1.939 12.724 ( 1.481 -1.686 -1.169) 2.531 13.058 ( -3.999 -1.158 -0.683) 4.218 13.196 ( -4.197 -0.892 1.363) 4.502 13.587 ( -0.421 1.269 2.661) 2.978 13.631 ( 2.619 0.089 -2.184) 3.411 13.682 ( 2.441 0.490 -1.784) 3.062 13.968 ( 0.904 1.383 1.421) 2.179 14.586 ( 7.240 5.391 -0.392) 9.035 14.658 ( 8.782 4.684 -0.281) 9.957 14.761 ( 1.919 -0.940 -1.720) 2.744 15.170 ( -1.750 -1.129 1.448) 2.537 15.464 ( -2.592 3.120 0.950) 4.166 15.567 ( -5.144 4.092 -0.701) 6.610 15.621 ( 3.453 4.237 -0.434) 5.483 15.745 ( -1.666 3.024 0.316) 3.467 16.485 ( 1.616 -0.068 -0.675) 1.753 16.599 ( -0.032 0.017 2.084) 2.084 16.786 ( 0.702 -1.705 -0.495) 1.908 16.923 ( -2.299 1.312 -0.904) 2.798 16.983 ( 0.045 -1.656 -0.280) 1.680 17.060 ( -1.849 -0.902 2.828) 3.497 17.100 ( -0.395 -1.740 -1.040) 2.065 17.153 ( 0.409 0.335 -1.626) 1.709 19.687 ( 1.828 2.186 0.078) 2.851 19.942 ( 1.449 2.987 0.005) 3.320 21.159 ( -1.418 -1.820 0.671) 2.403 21.379 ( -1.964 -1.512 -0.867) 2.626 22.833 ( -2.356 -3.712 0.316) 4.408 23.227 ( -0.170 -2.147 -0.327) 2.178 27.800 ( 0.246 -0.771 -0.725) 1.087 27.898 ( -1.069 1.928 0.854) 2.364 29.453 ( -0.668 1.200 -1.207) 1.828 29.627 ( 0.005 -0.102 0.302) 0.319 29.662 ( 3.756 1.864 1.182) 4.356 29.894 ( -0.976 1.369 -0.062) 1.682 30.932 ( 0.966 0.674 -0.999) 1.545 31.010 ( 0.824 1.272 1.108) 1.877 31.387 ( -0.675 -5.212 2.534) 5.834 31.532 ( 3.827 5.718 -2.176) 7.217 31.693 ( -2.367 -6.522 -1.647) 7.131 31.790 ( -1.787 0.172 1.040) 2.075 31.987 ( -2.083 -2.823 -3.462) 4.929 32.143 ( 4.941 0.087 3.275) 5.928 32.418 ( 1.402 0.866 -0.764) 1.816 32.480 ( 3.823 0.198 -0.545) 3.866 32.541 ( -1.279 2.626 2.047) 3.566 33.071 ( -4.643 0.937 -1.629) 5.009 34.425 ( 0.750 0.358 -1.268) 1.516 34.524 ( -1.423 -0.448 1.743) 2.294 34.851 ( -0.478 -8.659 0.142) 8.673 35.360 ( -13.848 -0.492 0.159) 13.858 35.684 ( 4.387 6.719 0.196) 8.027 36.052 ( 17.193 1.446 -2.204) 17.393 36.166 ( 0.583 6.166 2.195) 6.571 37.119 ( -8.748 1.212 0.022) 8.832 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -8.577 12.981 -1.717) 15.654 1.678 ( -2.989 18.252 2.261) 18.633 2.021 ( -6.365 9.767 1.653) 11.775 2.237 ( 8.572 6.635 2.321) 11.086 2.530 ( -2.084 1.957 1.648) 3.299 2.662 ( 3.036 -12.361 -3.143) 13.111 2.707 ( 7.097 0.861 -2.204) 7.481 3.035 ( -2.652 14.069 -1.963) 14.450 3.075 ( -0.024 -1.145 2.250) 2.525 3.229 ( -2.918 6.049 -2.422) 7.140 3.295 ( -4.390 2.600 -6.238) 8.059 3.523 ( 1.448 -0.720 -0.074) 1.619 3.669 ( 2.219 -6.997 4.261) 8.488 3.736 ( -5.147 0.269 -2.091) 5.562 3.984 ( 0.680 -0.933 2.109) 2.405 4.014 ( -5.220 6.637 -1.321) 8.546 4.144 ( 1.683 -3.641 -5.597) 6.886 4.235 ( -5.768 0.846 10.112) 11.672 4.330 ( -1.281 5.874 2.954) 6.698 4.448 ( 0.321 -0.985 -0.000) 1.036 4.502 ( -0.670 3.082 1.447) 3.470 4.522 ( -1.876 1.210 1.253) 2.560 4.645 ( -3.689 1.478 -4.584) 6.067 4.876 ( -1.272 -1.456 3.089) 3.644 4.915 ( 0.813 5.531 -2.232) 6.020 4.968 ( 3.505 -4.781 0.578) 5.957 5.106 ( 6.854 2.396 1.574) 7.430 5.296 ( 2.462 -1.518 1.834) 3.425 5.411 ( -1.455 -0.152 -3.695) 3.974 5.720 ( 12.104 -5.671 -4.586) 14.131 5.779 ( -0.722 -0.037 -2.822) 2.913 5.940 ( 0.856 -4.852 2.177) 5.387 6.061 ( 2.242 -8.693 4.216) 9.918 6.390 ( -5.572 -5.644 0.023) 7.931 7.281 ( -0.735 -1.968 -1.516) 2.590 7.442 ( 0.895 5.770 -0.318) 5.847 7.580 ( -2.387 -4.662 3.977) 6.576 7.719 ( -0.685 3.012 -1.771) 3.560 7.751 ( 7.757 -3.142 -1.040) 8.433 7.960 ( 1.256 -8.539 2.195) 8.906 8.239 ( -0.366 11.519 -2.063) 11.708 8.402 ( -5.120 -7.265 -3.030) 9.390 8.497 ( 3.847 -4.875 1.645) 6.425 8.700 ( 0.180 5.148 0.225) 5.156 8.809 ( -7.243 -1.298 1.030) 7.430 8.825 ( -2.284 2.402 -0.339) 3.332 9.164 ( 0.687 -4.815 -0.330) 4.875 9.369 ( 4.617 -5.021 0.738) 6.861 9.827 ( 2.994 -5.033 -0.330) 5.865 10.022 ( -2.611 -3.877 -0.386) 4.690 10.099 ( 3.944 -0.246 -0.784) 4.029 10.425 ( -1.380 0.462 0.890) 1.706 10.802 ( -0.928 -0.363 0.573) 1.149 10.900 ( 6.274 2.649 -1.357) 6.944 11.191 ( -1.252 4.998 -0.329) 5.163 11.291 ( -8.458 4.645 0.502) 9.662 11.815 ( 1.015 -2.578 -1.386) 3.098 11.882 ( 1.248 -2.223 1.513) 2.964 12.657 ( 1.893 -1.399 2.609) 3.514 12.786 ( 3.152 -3.035 -2.760) 5.174 13.027 ( -6.645 -1.097 -0.626) 6.764 13.189 ( -2.780 -2.160 2.126) 4.113 13.575 ( 1.214 1.083 0.668) 1.759 13.636 ( 0.118 0.651 1.839) 1.954 13.690 ( 3.350 1.281 -3.560) 5.053 13.978 ( 2.282 -0.522 0.574) 2.410 14.541 ( 5.537 6.609 -0.289) 8.627 14.669 ( 10.139 5.219 0.530) 11.415 14.806 ( 2.693 -1.836 -0.903) 3.382 15.120 ( -7.829 3.042 -0.685) 8.427 15.346 ( -8.519 5.044 0.225) 9.903 15.423 ( -8.974 4.052 0.598) 9.864 15.544 ( -0.578 6.718 1.912) 7.009 15.647 ( -4.224 4.232 -1.642) 6.201 16.461 ( 0.876 2.050 -1.548) 2.714 16.636 ( 1.334 -1.486 1.225) 2.343 16.821 ( 1.420 -0.579 -0.891) 1.773 16.875 ( -1.574 0.817 -0.654) 1.890 16.984 ( -2.649 -0.094 0.464) 2.691 17.071 ( 0.832 0.941 2.904) 3.164 17.111 ( -0.870 0.350 0.716) 1.179 17.157 ( 0.195 -2.142 -1.894) 2.866 19.655 ( 0.152 2.464 0.113) 2.471 19.890 ( -0.743 3.309 -0.140) 3.394 21.223 ( 1.344 -5.092 0.640) 5.306 21.409 ( -0.366 -3.409 -0.821) 3.525 22.884 ( 0.063 -3.606 0.461) 3.636 23.257 ( 0.957 -1.012 -0.102) 1.396 27.773 ( -1.161 2.491 0.635) 2.821 27.917 ( 0.268 -3.612 -0.701) 3.689 29.397 ( -1.414 3.376 -2.532) 4.451 29.608 ( -0.878 2.092 0.869) 2.429 29.690 ( 3.327 -0.138 1.338) 3.589 29.861 ( -2.276 0.128 0.240) 2.292 30.906 ( -0.521 2.371 0.135) 2.431 31.000 ( 0.547 0.780 -0.281) 0.993 31.449 ( -0.118 -0.635 -0.435) 0.779 31.488 ( 4.009 2.660 -1.277) 4.978 31.753 ( -0.706 -2.574 0.658) 2.749 31.797 ( -1.470 -3.171 2.101) 4.078 32.026 ( 1.649 -2.789 -2.817) 4.294 32.189 ( 3.316 0.688 2.029) 3.948 32.387 ( -0.236 3.134 0.377) 3.165 32.440 ( -5.350 3.185 -0.918) 6.293 32.541 ( 9.795 2.955 2.121) 10.449 33.024 ( -8.745 -3.328 -0.197) 9.359 34.392 ( -0.697 2.597 -0.813) 2.809 34.553 ( 0.812 -2.765 -1.050) 3.067 34.929 ( 2.413 2.469 3.052) 4.608 35.256 ( -12.208 -4.224 -2.978) 13.257 35.645 ( 3.294 2.667 -0.168) 4.241 36.009 ( -2.317 6.498 -2.403) 7.305 36.317 ( 19.860 -6.974 1.994) 21.143 37.053 ( -12.628 -5.481 0.083) 13.767 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -14.041 18.838 -1.859) 23.569 1.289 ( -2.446 24.082 -0.431) 24.210 1.777 ( -5.004 14.619 1.328) 15.509 2.152 ( 6.909 16.068 5.541) 18.347 2.400 ( -4.545 7.795 -2.282) 9.307 2.697 ( -2.226 6.670 -0.488) 7.048 2.758 ( 0.971 10.862 -0.397) 10.913 2.875 ( 0.732 -5.625 -0.998) 5.759 3.061 ( -4.119 -1.019 -1.991) 4.687 3.153 ( 3.290 -3.962 -0.385) 5.164 3.264 ( 0.053 0.448 -2.805) 2.841 3.546 ( 1.802 1.646 2.475) 3.476 3.633 ( -5.589 -0.287 -2.934) 6.319 3.792 ( 0.962 -1.260 0.286) 1.611 3.885 ( -1.942 5.230 0.516) 5.602 3.960 ( -1.559 1.276 -1.994) 2.835 4.150 ( -2.927 4.593 5.581) 7.798 4.205 ( -0.696 -0.578 0.319) 0.959 4.262 ( 0.212 4.239 1.181) 4.405 4.375 ( 0.114 6.060 0.109) 6.062 4.500 ( 5.295 -1.365 -1.117) 5.581 4.518 ( 0.133 0.814 3.228) 3.332 4.646 ( -4.136 -5.371 -4.376) 8.068 4.833 ( 1.708 4.582 -1.473) 5.107 4.890 ( -2.309 -2.403 5.535) 6.461 4.999 ( 3.116 6.104 -0.228) 6.857 5.165 ( -0.690 -5.392 0.478) 5.457 5.265 ( 0.382 7.051 -0.444) 7.075 5.411 ( -0.878 -4.018 -2.328) 4.726 5.782 ( 1.070 -2.155 -2.479) 3.454 5.927 ( 11.584 -4.792 -2.585) 12.799 6.045 ( -1.357 -5.847 3.323) 6.861 6.291 ( 4.753 -12.207 2.863) 13.409 6.447 ( -3.185 -6.693 -0.291) 7.418 7.307 ( -0.256 -1.852 -0.355) 1.903 7.366 ( 0.283 3.259 -0.898) 3.392 7.613 ( -0.457 -0.026 4.802) 4.823 7.671 ( -1.634 0.711 -0.874) 1.985 7.906 ( 8.536 -5.973 -4.710) 11.434 8.039 ( -2.138 9.415 2.105) 9.882 8.147 ( 3.319 -8.978 1.094) 9.634 8.437 ( -7.281 -4.700 -4.028) 9.557 8.539 ( 5.788 5.017 -0.193) 7.662 8.678 ( 0.587 -1.425 1.060) 1.870 8.767 ( -2.740 0.622 -0.273) 2.823 8.820 ( -5.435 -6.662 0.242) 8.602 9.267 ( 0.799 -6.579 -0.139) 6.629 9.510 ( 3.040 -6.786 0.595) 7.460 9.948 ( 5.262 -4.519 -1.367) 7.070 10.044 ( -3.409 -2.617 -0.158) 4.301 10.143 ( 2.072 -0.093 1.414) 2.510 10.409 ( -0.939 -0.099 -0.088) 0.948 10.802 ( -0.094 0.172 1.221) 1.237 10.919 ( 8.501 2.474 -2.710) 9.259 11.069 ( -2.885 6.905 -2.612) 7.927 11.127 ( -10.643 4.156 3.552) 11.966 11.884 ( 1.750 -4.161 -0.509) 4.542 11.953 ( 1.680 -4.038 0.519) 4.404 12.725 ( 2.387 -3.105 2.277) 4.530 12.854 ( 1.790 -3.191 -2.409) 4.381 12.981 ( -6.478 -1.922 -0.304) 6.764 13.220 ( -0.413 -2.253 1.029) 2.511 13.579 ( 3.361 0.970 -1.618) 3.854 13.628 ( -2.712 0.072 5.233) 5.894 13.676 ( 1.804 2.165 -3.063) 4.163 14.020 ( 3.328 -0.493 -0.388) 3.386 14.480 ( 5.461 7.169 -0.230) 9.015 14.671 ( 10.058 6.823 1.966) 12.312 14.839 ( -1.006 0.760 -0.277) 1.291 14.938 ( -10.455 3.993 -1.820) 11.339 15.115 ( -18.400 5.862 -1.544) 19.372 15.327 ( -0.798 3.146 2.243) 3.946 15.417 ( -3.044 6.761 1.784) 7.627 15.539 ( -3.041 3.664 -1.930) 5.138 16.455 ( 0.979 -0.904 -0.927) 1.624 16.660 ( 0.896 0.047 -0.164) 0.912 16.796 ( -0.996 2.370 0.133) 2.574 16.890 ( 1.858 -1.295 -1.443) 2.685 16.960 ( -2.312 -0.001 1.512) 2.763 17.053 ( 0.013 2.044 1.503) 2.537 17.076 ( -0.692 2.914 0.194) 3.001 17.204 ( 0.800 -2.475 -0.449) 2.639 19.618 ( -0.122 1.897 0.081) 1.902 19.831 ( -0.959 2.446 -0.172) 2.633 21.331 ( 1.266 -5.559 0.408) 5.716 21.468 ( 0.083 -3.869 -0.481) 3.900 22.956 ( 1.700 -3.916 0.429) 4.290 23.275 ( 1.070 0.109 0.023) 1.075 27.724 ( -1.509 2.124 1.281) 2.904 27.988 ( 0.186 -4.601 -1.110) 4.737 29.310 ( -1.508 4.456 -2.045) 5.129 29.553 ( -1.004 3.397 1.086) 3.705 29.721 ( 1.412 -0.441 -0.153) 1.487 29.861 ( -1.136 -1.951 0.415) 2.295 30.853 ( -0.724 3.363 0.579) 3.489 30.995 ( 0.026 -0.169 -0.548) 0.574 31.428 ( 3.147 4.307 -0.842) 5.400 31.472 ( -1.461 0.207 -1.343) 1.996 31.802 ( 0.871 -2.522 2.419) 3.601 31.857 ( 0.124 -3.755 1.592) 4.081 32.083 ( 3.653 -1.606 -1.774) 4.367 32.189 ( -0.018 1.172 0.408) 1.241 32.314 ( -3.749 4.354 1.390) 5.911 32.335 ( -2.835 2.991 -1.210) 4.295 32.574 ( 11.822 7.593 2.269) 14.232 33.031 ( -9.606 -8.609 0.353) 12.904 34.340 ( -0.489 2.487 -0.359) 2.560 34.613 ( 1.596 -3.462 -2.320) 4.463 34.834 ( 1.233 10.247 1.751) 10.468 35.257 ( -6.410 -6.024 -1.676) 8.955 35.644 ( 2.150 0.873 -0.333) 2.344 35.879 ( -4.736 4.007 -0.875) 6.265 36.652 ( 20.313 -7.215 -1.178) 21.589 37.080 ( -14.883 -15.224 0.669) 21.300 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 22.956 0.000) 22.956 0.866 ( -0.000 24.982 0.000) 24.982 1.368 ( -0.000 32.962 0.000) 32.962 1.958 ( -0.000 8.416 0.000) 8.416 2.197 ( -0.000 12.402 0.000) 12.402 2.517 ( -0.000 8.534 0.000) 8.534 2.697 ( -0.000 0.542 0.000) 0.542 2.903 ( 0.000 -2.161 -0.000) 2.161 3.142 ( 0.000 -3.981 -0.000) 3.981 3.177 ( -0.000 4.503 0.000) 4.503 3.270 ( 0.000 -2.714 -0.000) 2.714 3.516 ( -0.000 3.238 0.000) 3.238 3.624 ( 0.000 -2.827 -0.000) 2.827 3.782 ( -0.000 5.629 0.000) 5.629 3.794 ( -0.000 0.939 0.000) 0.939 3.941 ( 0.000 -0.794 -0.000) 0.794 4.083 ( -0.000 3.814 0.000) 3.814 4.173 ( -0.000 4.811 0.000) 4.811 4.207 ( 0.000 -0.305 -0.000) 0.305 4.328 ( -0.000 0.206 0.000) 0.206 4.472 ( -0.000 3.660 0.000) 3.660 4.533 ( -0.000 1.580 0.000) 1.580 4.718 ( 0.000 -5.131 -0.000) 5.131 4.785 ( -0.000 2.400 0.000) 2.400 4.875 ( -0.000 8.722 0.000) 8.722 4.971 ( 0.000 -5.463 -0.000) 5.463 5.110 ( -0.000 9.221 0.000) 9.221 5.226 ( 0.000 -2.247 -0.000) 2.247 5.495 ( 0.000 -5.405 -0.000) 5.405 5.843 ( 0.000 -4.645 -0.000) 4.645 6.063 ( 0.000 -3.394 -0.000) 3.394 6.111 ( 0.000 -4.092 -0.000) 4.092 6.516 ( 0.000 -10.275 -0.000) 10.275 6.539 ( 0.000 -5.246 -0.000) 5.246 7.333 ( 0.000 -1.445 -0.000) 1.445 7.345 ( 0.000 -1.092 -0.000) 1.092 7.614 ( -0.000 1.290 0.000) 1.290 7.643 ( -0.000 1.795 0.000) 1.795 7.891 ( -0.000 5.590 0.000) 5.590 8.061 ( 0.000 -5.946 -0.000) 5.946 8.301 ( 0.000 -5.129 -0.000) 5.129 8.424 ( 0.000 -1.328 -0.000) 1.328 8.522 ( 0.000 -0.829 -0.000) 0.829 8.703 ( 0.000 -0.697 -0.000) 0.697 8.764 ( 0.000 -2.524 -0.000) 2.524 8.890 ( 0.000 -3.130 -0.000) 3.130 9.396 ( 0.000 -8.497 -0.000) 8.497 9.635 ( 0.000 -5.946 -0.000) 5.946 10.032 ( 0.000 -0.001 -0.000) 0.001 10.063 ( 0.000 -3.924 -0.000) 3.924 10.131 ( -0.000 2.204 0.000) 2.204 10.419 ( 0.000 -1.237 -0.000) 1.237 10.799 ( -0.000 0.545 0.000) 0.545 10.913 ( -0.000 7.135 0.000) 7.135 10.963 ( -0.000 0.472 0.000) 0.472 10.992 ( -0.000 4.251 0.000) 4.251 11.966 ( 0.000 -4.376 -0.000) 4.376 12.034 ( 0.000 -4.093 -0.000) 4.093 12.800 ( 0.000 -3.633 -0.000) 3.633 12.915 ( 0.000 -3.665 -0.000) 3.665 12.988 ( 0.000 -2.680 -0.000) 2.680 13.249 ( 0.000 -1.192 -0.000) 1.192 13.599 ( -0.000 0.721 0.000) 0.721 13.602 ( -0.000 0.009 0.000) 0.009 13.640 ( -0.000 2.458 0.000) 2.458 14.024 ( -0.000 2.162 0.000) 2.162 14.387 ( -0.000 6.796 0.000) 6.796 14.652 ( -0.000 5.761 0.000) 5.761 14.750 ( -0.000 6.871 0.000) 6.871 14.787 ( -0.000 1.196 0.000) 1.196 14.964 ( -0.000 1.575 0.000) 1.575 15.286 ( -0.000 6.013 0.000) 6.013 15.296 ( -0.000 1.401 0.000) 1.401 15.469 ( -0.000 2.554 0.000) 2.554 16.504 ( 0.000 -4.310 -0.000) 4.310 16.657 ( -0.000 0.543 0.000) 0.543 16.748 ( -0.000 2.622 0.000) 2.622 16.918 ( 0.000 -0.977 -0.000) 0.977 16.955 ( 0.000 -0.464 -0.000) 0.464 17.006 ( -0.000 4.896 0.000) 4.896 17.023 ( -0.000 1.740 0.000) 1.740 17.234 ( 0.000 -0.564 -0.000) 0.564 19.592 ( -0.000 1.172 0.000) 1.172 19.798 ( -0.000 1.024 0.000) 1.024 21.418 ( 0.000 -4.113 -0.000) 4.113 21.527 ( 0.000 -3.099 -0.000) 3.099 23.037 ( 0.000 -4.217 -0.000) 4.217 23.269 ( -0.000 1.308 0.000) 1.308 27.686 ( -0.000 1.544 0.000) 1.544 28.060 ( 0.000 -4.094 -0.000) 4.094 29.223 ( -0.000 4.279 0.000) 4.279 29.496 ( -0.000 2.928 0.000) 2.928 29.733 ( 0.000 -0.398 -0.000) 0.398 29.897 ( 0.000 -2.574 -0.000) 2.574 30.791 ( -0.000 3.483 0.000) 3.483 31.009 ( 0.000 -1.711 -0.000) 1.711 31.343 ( -0.000 6.691 0.000) 6.691 31.491 ( 0.000 -3.307 -0.000) 3.307 31.836 ( -0.000 0.105 0.000) 0.105 31.924 ( 0.000 -3.540 -0.000) 3.540 32.128 ( 0.000 -0.970 -0.000) 0.970 32.172 ( -0.000 0.501 0.000) 0.501 32.219 ( -0.000 3.573 0.000) 3.573 32.271 ( -0.000 3.077 0.000) 3.077 32.504 ( -0.000 7.986 0.000) 7.986 33.128 ( 0.000 -8.064 -0.000) 8.064 34.306 ( -0.000 1.209 0.000) 1.209 34.666 ( -0.000 10.280 0.000) 10.280 34.676 ( 0.000 -3.219 -0.000) 3.219 35.303 ( 0.000 -3.506 -0.000) 3.506 35.641 ( -0.000 0.650 0.000) 0.650 35.804 ( -0.000 1.758 0.000) 1.758 36.816 ( 0.000 -2.241 -0.000) 2.241 37.336 ( 0.000 -21.430 -0.000) 21.430 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 15.770 -0.000 3.635) 16.184 0.921 ( 21.344 -0.000 2.265) 21.464 1.934 ( 10.793 -0.000 -1.444) 10.890 2.022 ( 12.228 -0.000 0.947) 12.264 2.094 ( 35.765 -0.000 6.012) 36.266 2.879 ( 1.088 -0.000 4.584) 4.712 2.930 ( -0.550 0.000 -4.768) 4.799 2.979 ( -3.008 0.000 -2.192) 3.722 2.998 ( 12.965 -0.000 -2.208) 13.151 3.331 ( 1.360 -0.000 0.263) 1.385 3.370 ( 6.213 -0.000 5.271) 8.148 3.430 ( -1.377 0.000 8.553) 8.663 3.631 ( -4.351 0.000 -6.470) 7.796 3.682 ( -2.133 0.000 -8.886) 9.138 3.778 ( 1.431 -0.000 2.582) 2.952 3.970 ( 0.101 -0.000 -10.265) 10.266 4.054 ( 2.383 -0.000 -3.369) 4.127 4.079 ( 1.330 -0.000 10.865) 10.946 4.197 ( -0.982 0.000 1.822) 2.070 4.332 ( 1.136 -0.000 -2.159) 2.440 4.424 ( -1.699 0.000 -0.337) 1.732 4.492 ( 10.084 -0.000 1.729) 10.231 4.722 ( 6.541 -0.000 -7.762) 10.151 4.730 ( -2.937 0.000 1.436) 3.270 4.877 ( -3.961 0.000 2.192) 4.527 5.054 ( -3.592 0.000 -0.272) 3.602 5.265 ( 1.548 -0.000 -3.114) 3.478 5.344 ( -0.687 0.000 -6.053) 6.092 5.606 ( -0.967 0.000 -0.997) 1.389 5.674 ( -4.873 0.000 4.453) 6.601 5.785 ( -6.987 0.000 3.489) 7.809 5.830 ( -4.517 0.000 -1.793) 4.859 6.052 ( -7.749 0.000 -0.758) 7.786 6.277 ( -15.608 0.000 -0.041) 15.608 7.181 ( -9.728 0.000 -9.596) 13.664 7.418 ( 1.284 -0.000 1.094) 1.687 7.592 ( 2.232 -0.000 -0.139) 2.237 7.621 ( 0.630 -0.000 11.578) 11.595 7.818 ( -4.621 0.000 2.032) 5.049 7.858 ( -1.405 0.000 5.261) 5.446 8.212 ( -4.793 0.000 1.391) 4.991 8.337 ( -2.695 0.000 -2.750) 3.850 8.737 ( 2.355 -0.000 0.992) 2.555 8.794 ( 3.230 -0.000 1.330) 3.493 8.895 ( 0.439 -0.000 3.332) 3.360 8.990 ( 7.167 -0.000 3.557) 8.001 9.370 ( -6.748 0.000 -1.303) 6.873 9.581 ( -6.640 0.000 -1.183) 6.745 9.896 ( -9.660 0.000 -3.411) 10.245 9.898 ( -5.884 0.000 5.079) 7.773 10.113 ( 0.779 -0.000 -4.313) 4.383 10.484 ( 5.493 -0.000 0.191) 5.496 10.762 ( -0.967 0.000 2.326) 2.519 10.779 ( 0.003 -0.000 0.466) 0.466 11.181 ( 10.235 -0.000 4.337) 11.116 11.269 ( 9.224 -0.000 -4.470) 10.250 11.924 ( -5.535 0.000 1.557) 5.750 11.932 ( -6.473 0.000 -0.971) 6.545 12.827 ( -4.962 0.000 0.191) 4.965 12.932 ( 1.673 -0.000 0.573) 1.768 12.997 ( -4.013 0.000 1.684) 4.352 13.166 ( -3.180 0.000 -3.795) 4.951 13.579 ( 4.738 -0.000 -3.233) 5.736 13.638 ( 0.838 -0.000 3.734) 3.827 13.775 ( -3.397 0.000 -6.000) 6.895 14.146 ( -2.938 0.000 9.943) 10.368 14.603 ( 15.061 -0.000 1.956) 15.188 14.607 ( 14.673 -0.000 -3.540) 15.094 14.810 ( -0.070 0.000 -5.209) 5.210 14.948 ( 0.835 -0.000 1.581) 1.788 15.339 ( 18.351 -0.000 -4.709) 18.945 15.570 ( 11.667 -0.000 -2.287) 11.889 15.634 ( 6.936 -0.000 5.300) 8.729 16.194 ( -9.099 0.000 0.128) 9.100 16.444 ( -9.092 0.000 3.034) 9.585 16.628 ( -1.232 0.000 -0.864) 1.505 16.715 ( 0.937 -0.000 -2.187) 2.380 16.816 ( 1.020 -0.000 -0.412) 1.100 16.955 ( -1.821 0.000 1.447) 2.326 17.030 ( 3.685 -0.000 -10.981) 11.583 17.078 ( 4.970 -0.000 -5.365) 7.313 17.099 ( -3.692 0.000 1.073) 3.845 19.749 ( 9.947 -0.000 -3.750) 10.631 19.888 ( 8.658 -0.000 2.491) 9.010 21.402 ( -8.121 0.000 0.363) 8.129 21.479 ( -5.589 0.000 -0.604) 5.621 22.729 ( -8.821 0.000 0.808) 8.858 23.084 ( -4.959 0.000 -2.158) 5.408 27.800 ( 1.734 -0.000 -12.831) 12.948 28.135 ( -4.085 0.000 8.292) 9.244 29.570 ( 10.599 -0.000 -5.121) 11.771 29.643 ( -0.127 0.000 6.941) 6.942 29.771 ( 0.255 -0.000 1.581) 1.602 29.849 ( -4.364 0.000 -2.485) 5.022 30.932 ( 6.537 -0.000 -6.430) 9.170 31.008 ( 0.292 -0.000 0.545) 0.619 31.117 ( -1.006 0.000 3.911) 4.038 31.163 ( 0.243 -0.000 0.191) 0.309 31.736 ( -3.559 0.000 -1.405) 3.826 31.885 ( 4.132 -0.000 0.384) 4.150 32.029 ( -6.475 0.000 0.059) 6.475 32.054 ( 1.839 -0.000 -0.915) 2.054 32.272 ( 3.955 -0.000 0.959) 4.070 32.310 ( 8.275 -0.000 0.214) 8.277 32.515 ( 5.732 -0.000 -1.868) 6.029 33.307 ( -1.596 0.000 -9.732) 9.862 34.338 ( 2.579 -0.000 -3.261) 4.158 34.358 ( -2.756 0.000 -1.670) 3.222 34.658 ( -8.341 0.000 13.993) 16.291 35.385 ( -6.658 0.000 4.477) 8.023 35.885 ( 7.680 -0.000 -0.343) 7.688 36.013 ( 12.665 -0.000 -7.371) 14.654 37.036 ( -12.511 0.000 18.848) 22.623 37.526 ( -8.448 0.000 -2.237) 8.739 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 14.068 -11.599 6.760) 19.446 1.205 ( 13.680 -16.387 -2.266) 21.467 2.006 ( 6.996 0.258 1.634) 7.189 2.187 ( 6.458 -9.613 -2.855) 11.927 2.409 ( 29.280 5.866 7.656) 30.828 2.761 ( 0.531 6.516 -3.167) 7.264 2.907 ( -2.108 3.759 -2.602) 5.035 2.979 ( -1.775 -1.440 -4.539) 5.082 3.135 ( 10.571 -1.154 3.922) 11.335 3.309 ( 3.766 5.208 2.317) 6.831 3.410 ( -5.176 -0.059 4.256) 6.701 3.439 ( 2.083 -0.638 6.300) 6.666 3.590 ( -2.654 -0.393 -3.050) 4.062 3.657 ( -2.880 -3.695 -2.284) 5.212 3.857 ( -0.174 -7.063 -1.144) 7.157 3.963 ( -0.850 -3.484 -10.615) 11.205 4.073 ( 2.528 -0.021 -2.756) 3.740 4.176 ( 9.079 -2.226 6.126) 11.177 4.237 ( 0.584 -4.181 3.651) 5.581 4.285 ( -1.124 1.952 -6.689) 7.058 4.469 ( 8.606 -0.491 1.676) 8.781 4.572 ( 4.170 1.361 0.682) 4.439 4.679 ( -0.084 1.724 0.095) 1.729 4.820 ( -1.127 -3.347 -2.128) 4.123 4.862 ( 1.381 -3.705 1.061) 4.094 5.022 ( -6.124 1.323 2.514) 6.751 5.056 ( 4.863 10.480 -6.076) 13.054 5.425 ( -6.638 0.203 -2.695) 7.167 5.538 ( 2.832 1.778 3.855) 5.103 5.645 ( -2.248 0.074 2.052) 3.044 5.714 ( -6.087 3.788 1.613) 7.349 5.866 ( -6.762 -3.686 -2.197) 8.009 5.970 ( -7.081 -3.369 -3.803) 8.715 6.202 ( -13.361 -6.444 0.855) 14.859 7.088 ( -9.125 -3.355 -8.618) 12.992 7.435 ( 0.979 -0.187 -1.695) 1.966 7.511 ( 0.322 5.580 5.138) 7.592 7.759 ( 0.527 -4.613 4.796) 6.675 7.783 ( -3.178 -1.196 3.166) 4.643 7.862 ( -1.585 -1.363 4.333) 4.811 8.182 ( -3.491 -0.295 0.741) 3.581 8.263 ( -1.933 4.461 -2.753) 5.587 8.777 ( -0.370 -2.217 -1.604) 2.762 8.825 ( 5.391 1.352 0.825) 5.619 8.885 ( -0.071 2.076 3.189) 3.805 9.059 ( 5.467 1.058 4.787) 7.343 9.277 ( -5.132 3.106 -1.976) 6.316 9.486 ( -7.284 2.876 -0.405) 7.842 9.779 ( -8.569 1.658 -2.647) 9.121 9.866 ( -5.417 -0.950 4.448) 7.073 10.115 ( -1.011 -1.345 -4.800) 5.086 10.517 ( 3.800 1.786 0.608) 4.243 10.763 ( -0.325 0.140 2.094) 2.123 10.806 ( 2.089 -2.163 -0.230) 3.015 11.294 ( 9.589 -0.301 4.059) 10.417 11.354 ( 8.711 -1.391 -4.025) 9.696 11.857 ( -6.113 1.453 -1.261) 6.408 11.873 ( -4.081 0.552 1.306) 4.320 12.774 ( -5.295 0.886 1.368) 5.540 12.846 ( 0.149 6.947 0.383) 6.959 13.029 ( -3.997 -3.099 1.643) 5.318 13.144 ( -1.755 -2.096 -4.966) 5.669 13.613 ( 5.733 0.622 -4.090) 7.070 13.649 ( 0.668 0.887 3.992) 4.144 13.717 ( -2.554 1.342 -3.278) 4.367 14.106 ( -4.475 2.600 7.747) 9.316 14.699 ( 11.311 2.519 -0.321) 11.593 14.751 ( 11.216 0.693 0.826) 11.268 14.795 ( 5.234 1.573 -6.282) 8.327 14.988 ( 0.455 -3.653 1.954) 4.168 15.498 ( 16.224 0.635 -2.373) 16.409 15.663 ( 10.910 1.015 -2.597) 11.260 15.726 ( 7.446 -1.114 4.156) 8.600 15.996 ( -4.362 11.627 0.305) 12.422 16.370 ( -6.019 -0.563 2.067) 6.389 16.639 ( -1.518 -1.877 2.265) 3.310 16.731 ( -1.301 -1.255 -1.230) 2.186 16.825 ( 1.261 -0.585 -1.265) 1.879 16.960 ( -2.314 -2.405 0.536) 3.380 17.028 ( 1.014 0.090 -2.385) 2.594 17.061 ( -2.169 0.631 -2.152) 3.119 17.118 ( 3.289 -1.052 -4.448) 5.631 19.790 ( 10.458 4.567 -2.191) 11.620 19.990 ( 8.317 -0.335 1.763) 8.509 21.296 ( -9.168 2.565 1.103) 9.584 21.420 ( -6.602 -0.036 -1.267) 6.723 22.677 ( -7.491 -2.715 0.611) 7.991 23.064 ( -4.593 -3.642 -1.930) 6.172 27.772 ( 0.702 0.725 -6.946) 7.019 28.099 ( -4.231 2.065 6.468) 8.000 29.560 ( 2.464 7.359 3.393) 8.470 29.640 ( 6.040 2.191 -2.134) 6.770 29.783 ( 1.641 0.262 -0.284) 1.686 29.849 ( -2.111 -3.531 -0.716) 4.175 30.924 ( 5.771 2.075 -1.939) 6.432 31.082 ( 0.210 2.467 2.800) 3.738 31.145 ( -0.652 -7.965 -2.349) 8.330 31.233 ( -1.847 -7.990 0.419) 8.211 31.705 ( -1.982 -0.370 -0.181) 2.024 31.871 ( 0.662 4.470 -1.086) 4.648 31.966 ( -5.302 -0.275 -0.920) 5.389 32.091 ( 1.327 -1.406 0.435) 1.981 32.336 ( 5.841 -1.501 1.200) 6.149 32.389 ( 7.630 -0.410 -1.469) 7.781 32.571 ( 4.335 -0.770 0.603) 4.444 33.243 ( -3.612 1.690 -7.108) 8.151 34.339 ( 1.738 -1.044 -2.214) 3.003 34.398 ( -0.944 -5.090 -2.604) 5.795 34.611 ( -7.069 0.940 10.603) 12.778 35.343 ( -9.291 -2.496 2.947) 10.061 35.945 ( 10.015 3.094 1.281) 10.560 36.098 ( 12.684 2.164 -7.325) 14.806 36.817 ( -7.192 15.447 11.628) 20.629 37.438 ( -9.229 1.760 -1.120) 9.462 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 14.056 -12.016 4.041) 18.929 1.609 ( 2.762 -19.995 0.542) 20.192 2.073 ( 3.309 -1.883 2.185) 4.390 2.363 ( 6.176 -0.702 -4.394) 7.612 2.473 ( 6.027 3.193 0.680) 6.855 2.738 ( 12.623 2.627 -4.150) 13.545 2.829 ( 4.983 5.498 0.286) 7.425 2.954 ( -6.229 -1.395 -3.741) 7.398 3.185 ( -0.087 4.043 2.765) 4.899 3.267 ( 7.591 5.125 3.106) 9.671 3.343 ( -6.753 0.279 5.770) 8.887 3.499 ( 1.980 -0.984 5.089) 5.548 3.599 ( -2.954 -2.616 -2.600) 4.726 3.718 ( -0.510 -5.054 2.076) 5.488 3.943 ( -3.376 -7.612 -3.496) 9.032 4.018 ( 0.365 -2.996 -4.455) 5.381 4.078 ( 0.397 -1.297 -3.678) 3.920 4.229 ( -1.943 -1.155 -4.477) 5.016 4.314 ( -0.042 -3.779 3.727) 5.308 4.366 ( 11.477 -0.962 5.226) 12.647 4.503 ( -1.687 2.581 -3.079) 4.357 4.586 ( 7.309 -1.122 -1.900) 7.634 4.666 ( -2.378 -1.199 -0.733) 2.762 4.846 ( -0.721 -0.278 4.660) 4.724 4.922 ( 2.344 2.134 0.801) 3.269 4.958 ( 5.339 0.529 0.619) 5.401 5.032 ( 0.224 -1.700 -5.895) 6.139 5.292 ( -4.187 4.507 -0.581) 6.179 5.484 ( 0.628 7.597 3.394) 8.344 5.639 ( 0.180 0.196 -1.945) 1.963 5.691 ( -2.849 -4.826 2.281) 6.051 5.833 ( -4.375 -1.816 2.469) 5.341 5.961 ( -6.096 -2.143 -6.842) 9.411 6.195 ( -11.392 -5.779 1.624) 12.877 7.086 ( -5.722 -7.613 -6.900) 11.761 7.394 ( -0.037 3.864 0.438) 3.889 7.506 ( 0.527 -2.351 2.036) 3.154 7.734 ( -3.736 1.285 3.960) 5.594 7.809 ( 1.251 1.263 -2.248) 2.866 7.968 ( -0.510 -8.878 7.268) 11.485 8.105 ( -0.359 7.803 -2.355) 8.158 8.206 ( -4.085 -2.374 0.268) 4.733 8.748 ( 1.734 6.110 -0.865) 6.410 8.852 ( 3.664 2.302 -0.615) 4.370 8.876 ( -0.841 -2.393 0.702) 2.632 9.047 ( -1.537 4.003 3.566) 5.576 9.185 ( -2.029 4.341 -1.134) 4.924 9.375 ( -3.230 3.184 1.103) 4.668 9.678 ( -7.287 -0.107 -2.837) 7.821 9.868 ( -2.008 -2.051 4.639) 5.455 10.101 ( -2.410 -0.730 -5.314) 5.881 10.504 ( 1.111 2.630 1.695) 3.320 10.764 ( -1.245 -0.675 0.701) 1.580 10.877 ( 5.457 -1.708 -0.217) 5.722 11.369 ( 7.187 2.182 1.727) 7.707 11.441 ( 5.851 -0.737 -1.809) 6.169 11.779 ( -4.475 0.760 -1.791) 4.880 11.841 ( -2.853 -0.159 1.746) 3.349 12.705 ( -6.039 1.573 2.705) 6.801 12.762 ( 4.668 4.988 -1.289) 6.952 13.017 ( -5.150 -1.400 -0.294) 5.345 13.154 ( -3.222 -2.074 -2.311) 4.475 13.642 ( 0.339 1.586 4.390) 4.680 13.646 ( 4.905 1.249 -0.898) 5.140 13.681 ( 0.485 -0.049 -5.175) 5.198 14.040 ( -4.084 2.464 5.036) 6.936 14.734 ( 3.807 1.620 -0.608) 4.182 14.771 ( 7.132 3.217 -2.773) 8.301 14.842 ( 13.064 4.596 -2.738) 14.117 15.073 ( 0.277 -4.211 3.482) 5.471 15.575 ( 7.812 3.642 0.450) 8.631 15.723 ( 8.057 2.009 -2.797) 8.762 15.790 ( -2.113 9.216 -0.469) 9.467 15.811 ( 5.738 0.828 3.055) 6.553 16.377 ( -1.440 -3.914 1.897) 4.582 16.660 ( 0.219 0.328 2.403) 2.435 16.720 ( -2.690 -1.105 -0.588) 2.967 16.865 ( 1.013 -3.293 -1.277) 3.675 16.967 ( -2.929 -0.485 -0.273) 2.982 17.020 ( -2.823 -0.516 -1.073) 3.064 17.046 ( -0.400 -1.321 0.702) 1.549 17.150 ( 2.944 -0.521 -4.088) 5.064 19.797 ( 8.355 4.894 -0.889) 9.723 20.045 ( 6.251 2.526 0.970) 6.811 21.172 ( -8.060 2.112 1.259) 8.427 21.357 ( -5.813 -0.235 -1.481) 6.003 22.680 ( -5.435 -4.624 0.467) 7.151 23.099 ( -2.834 -5.138 -1.242) 5.998 27.760 ( 0.328 -0.460 -2.981) 3.034 28.028 ( -3.106 3.829 3.563) 6.083 29.495 ( 0.848 3.267 2.038) 3.943 29.637 ( 2.410 1.859 -1.044) 3.217 29.774 ( 2.947 2.934 -0.399) 4.178 29.900 ( 0.951 -2.160 -0.482) 2.409 30.949 ( 4.437 0.825 -1.216) 4.674 31.061 ( 0.996 1.735 2.167) 2.949 31.223 ( -1.163 -4.265 1.426) 4.645 31.377 ( -3.003 -11.248 -2.748) 11.962 31.708 ( 1.814 1.190 1.328) 2.544 31.784 ( -2.919 2.296 -1.822) 4.137 31.925 ( -3.792 -0.143 -2.275) 4.425 32.128 ( 2.381 -1.069 1.861) 3.205 32.416 ( 5.203 -0.912 0.479) 5.304 32.455 ( 5.793 -0.565 -2.602) 6.375 32.606 ( 1.437 0.742 2.616) 3.076 33.151 ( -4.551 2.491 -4.770) 7.048 34.385 ( 3.170 -1.885 -2.479) 4.444 34.492 ( -1.376 -8.543 -1.543) 8.790 34.560 ( -5.634 0.754 7.130) 9.119 35.300 ( -10.599 -2.613 1.631) 11.038 35.958 ( 7.304 6.801 1.427) 10.082 36.147 ( 13.668 3.790 -4.954) 15.024 36.548 ( -0.486 14.718 5.941) 15.879 37.277 ( -10.155 5.832 -0.530) 11.723 ======================= Grid point 23 (17/95) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 11.140 -7.521 7.204) 15.250 1.859 ( -2.196 -8.500 -0.182) 8.781 2.121 ( -0.957 -1.335 -3.033) 3.449 2.322 ( 10.296 5.223 2.728) 11.863 2.516 ( -1.644 -1.785 -7.787) 8.157 2.694 ( 3.661 13.674 0.571) 14.167 2.807 ( 4.594 3.217 -8.581) 10.251 2.967 ( -3.464 -7.289 2.757) 8.528 3.138 ( -0.500 0.170 3.277) 3.319 3.275 ( 4.512 0.915 1.568) 4.864 3.369 ( 2.228 -4.036 4.722) 6.599 3.491 ( -2.649 3.348 2.849) 5.132 3.561 ( -3.959 1.003 -5.184) 6.600 3.795 ( 1.332 -1.231 3.606) 4.036 3.984 ( -0.364 3.628 -1.649) 4.001 4.041 ( -2.066 -6.658 -1.726) 7.182 4.140 ( -1.925 -5.579 0.329) 5.911 4.203 ( -3.856 1.303 -1.980) 4.526 4.347 ( -4.183 -2.538 0.295) 4.901 4.422 ( -2.276 -0.055 5.264) 5.735 4.482 ( 2.579 -1.944 -0.927) 3.360 4.624 ( 4.752 5.972 -0.103) 7.633 4.694 ( -1.085 -2.099 -3.345) 4.096 4.812 ( -0.038 -0.171 1.019) 1.034 4.948 ( 1.918 1.268 0.138) 2.304 4.996 ( 3.083 -1.740 1.593) 3.883 5.044 ( 1.403 -0.293 -4.001) 4.250 5.267 ( 6.778 -0.045 1.231) 6.890 5.438 ( 3.817 1.883 0.867) 4.343 5.632 ( -1.090 -1.047 -2.742) 3.131 5.739 ( 0.272 -1.993 0.053) 2.012 5.865 ( -2.489 -4.263 2.698) 5.625 5.897 ( -3.998 0.763 -3.059) 5.091 6.189 ( -10.321 -5.677 1.540) 11.880 7.170 ( -2.377 -7.436 -4.182) 8.856 7.368 ( -0.021 -1.674 0.862) 1.883 7.577 ( 1.842 -3.127 3.061) 4.748 7.683 ( -1.296 1.948 -1.585) 2.826 7.799 ( 0.800 0.007 0.542) 0.966 7.948 ( -0.789 8.774 -1.516) 8.939 8.140 ( 0.569 -8.907 3.239) 9.495 8.232 ( -4.606 -5.881 1.047) 7.543 8.621 ( 1.269 10.229 -1.086) 10.364 8.833 ( 1.702 2.645 -0.813) 3.249 8.902 ( -0.579 1.176 0.352) 1.357 8.965 ( -1.518 4.060 1.096) 4.472 9.069 ( -4.820 2.516 -0.686) 5.480 9.340 ( 2.355 2.134 2.044) 3.779 9.650 ( -4.251 -4.321 -1.972) 6.375 9.916 ( 1.057 -2.367 3.939) 4.715 10.077 ( -1.847 -1.141 -5.197) 5.632 10.470 ( -0.186 2.393 1.958) 3.098 10.767 ( -1.673 -1.322 -0.124) 2.136 10.950 ( 6.321 -0.120 -0.011) 6.322 11.365 ( 3.837 5.029 1.158) 6.431 11.442 ( -0.050 3.710 -1.561) 4.025 11.748 ( -2.319 -1.443 -1.977) 3.371 11.835 ( -1.744 -1.094 2.072) 2.921 12.649 ( -2.647 0.581 2.373) 3.602 12.759 ( 7.162 1.961 -1.855) 7.654 12.992 ( -4.453 -1.186 -1.073) 4.732 13.129 ( -6.621 -1.341 0.701) 6.792 13.620 ( -0.742 1.585 5.034) 5.330 13.667 ( 3.163 0.922 -2.984) 4.445 13.699 ( 4.711 -0.306 -3.802) 6.061 13.982 ( -4.088 1.090 3.204) 5.307 14.739 ( 2.788 0.937 0.116) 2.943 14.772 ( 7.518 4.158 -3.311) 9.207 14.872 ( 13.164 5.660 -1.612) 14.420 15.124 ( -3.306 -2.039 3.348) 5.128 15.538 ( 1.811 6.269 0.690) 6.562 15.616 ( -4.604 7.564 -0.179) 8.857 15.735 ( 5.049 3.971 -2.766) 6.994 15.804 ( 0.368 4.686 2.435) 5.293 16.466 ( 2.168 -4.889 0.715) 5.396 16.621 ( -1.596 3.167 1.408) 3.816 16.747 ( -0.175 -3.257 -0.096) 3.263 16.919 ( -1.295 0.332 -0.818) 1.567 16.943 ( -0.478 -2.868 -0.347) 2.928 17.005 ( -3.307 -1.516 -0.041) 3.638 17.076 ( -0.100 -1.872 1.169) 2.210 17.161 ( 1.338 0.576 -2.599) 2.980 19.773 ( 4.253 5.019 -0.253) 6.583 20.031 ( 3.146 4.642 0.337) 5.618 21.108 ( -4.151 -1.362 0.979) 4.477 21.323 ( -3.448 -1.670 -1.157) 4.002 22.725 ( -3.304 -5.534 0.364) 6.456 23.163 ( -0.951 -4.713 -0.594) 4.845 27.776 ( 0.220 -1.651 -1.104) 1.998 27.944 ( -1.700 4.149 1.438) 4.708 29.466 ( -0.392 1.337 -0.254) 1.416 29.630 ( 0.703 0.510 -0.193) 0.889 29.756 ( 4.604 3.375 1.378) 5.873 29.907 ( -1.052 1.200 -0.811) 1.790 30.962 ( 2.373 1.339 -0.951) 2.886 31.048 ( 0.987 1.695 1.475) 2.454 31.303 ( 0.187 -5.566 2.349) 6.044 31.509 ( -3.761 -8.968 -3.237) 10.249 31.666 ( 3.544 4.741 -0.380) 5.932 31.775 ( -1.410 -0.930 1.692) 2.391 31.899 ( -3.199 -2.777 -3.382) 5.421 32.191 ( 4.673 -1.498 2.651) 5.578 32.453 ( 2.553 0.999 -0.254) 2.753 32.498 ( 2.919 -0.460 -3.584) 4.645 32.586 ( -0.557 2.584 3.594) 4.461 33.055 ( -4.487 2.762 -2.391) 5.786 34.431 ( 2.697 -0.876 -2.838) 4.012 34.511 ( -3.676 0.681 4.420) 5.789 34.660 ( -0.493 -12.105 -0.231) 12.118 35.233 ( -10.235 -0.747 0.409) 10.271 35.866 ( 3.629 9.421 0.354) 10.102 36.233 ( 16.378 1.613 -2.981) 16.725 36.349 ( 1.454 12.295 3.581) 12.888 37.074 ( -11.698 5.427 -0.216) 12.897 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -2.401 12.820 -0.447) 13.050 1.937 ( 3.437 7.960 4.416) 9.730 2.125 ( -0.933 5.910 0.071) 5.983 2.411 ( 2.754 -9.664 -2.335) 10.317 2.434 ( 3.284 7.776 0.576) 8.461 2.586 ( 0.996 1.136 -0.124) 1.516 2.761 ( 0.835 -0.379 -5.442) 5.519 3.065 ( 0.865 -1.130 2.621) 2.982 3.132 ( -1.370 -2.604 -2.677) 3.978 3.251 ( -4.177 6.946 1.223) 8.197 3.376 ( 2.305 7.326 -0.846) 7.726 3.499 ( -2.118 -1.066 -1.879) 3.026 3.575 ( 4.361 -9.939 4.314) 11.680 3.754 ( -2.555 6.558 -0.551) 7.059 3.941 ( -2.555 -1.267 1.212) 3.099 4.079 ( -1.134 0.211 1.181) 1.651 4.093 ( -2.257 2.161 -4.684) 5.630 4.210 ( -0.813 -1.431 3.812) 4.152 4.393 ( 0.215 -6.092 -3.971) 7.276 4.414 ( -4.086 0.267 4.612) 6.168 4.503 ( 1.106 6.818 1.682) 7.109 4.550 ( 2.418 -0.014 3.305) 4.095 4.665 ( -3.578 2.427 -5.086) 6.675 4.869 ( 1.229 -3.078 1.187) 3.520 4.888 ( 0.105 0.927 -0.134) 0.943 5.008 ( 0.362 3.864 -2.286) 4.504 5.155 ( 2.648 -8.972 3.272) 9.910 5.310 ( 3.288 5.244 -1.499) 6.368 5.455 ( 5.991 2.382 -0.189) 6.450 5.642 ( -4.823 -5.071 -2.734) 7.513 5.798 ( 6.373 -2.409 -1.689) 7.019 5.869 ( -1.172 -2.794 0.166) 3.035 5.968 ( 2.035 -6.813 2.983) 7.711 6.203 ( -9.208 -7.004 0.239) 11.571 7.229 ( -0.862 -3.086 -1.189) 3.417 7.460 ( 0.659 -7.286 -0.781) 7.358 7.560 ( -0.667 5.997 2.808) 6.655 7.724 ( 2.951 -5.596 -2.589) 6.835 7.794 ( 0.218 6.291 -0.280) 6.301 7.860 ( 0.088 -4.449 1.922) 4.847 8.238 ( -3.285 -5.535 -1.605) 6.633 8.371 ( 0.805 -10.319 3.627) 10.967 8.441 ( 0.188 10.787 -2.187) 11.008 8.782 ( -1.445 4.624 0.501) 4.871 8.805 ( -1.627 5.690 -0.551) 5.944 8.877 ( -0.914 4.919 0.339) 5.015 9.087 ( -0.113 -4.942 -0.515) 4.970 9.352 ( 2.160 -0.918 1.179) 2.626 9.726 ( -0.714 -7.586 -0.780) 7.659 9.966 ( 0.246 -1.571 1.407) 2.123 10.093 ( 0.720 -2.847 -2.475) 3.840 10.435 ( -0.746 1.817 1.126) 2.264 10.777 ( -0.986 -1.458 -0.039) 1.761 10.995 ( 5.554 1.397 -0.288) 5.734 11.287 ( -0.624 6.474 1.688) 6.720 11.326 ( -3.005 7.106 -1.760) 7.913 11.767 ( -0.457 -2.936 -1.180) 3.197 11.855 ( -0.334 -1.937 1.257) 2.333 12.650 ( -0.150 -1.362 1.772) 2.240 12.806 ( 7.584 0.470 -2.500) 8.000 12.947 ( -7.314 0.061 0.184) 7.316 13.118 ( -3.366 -3.506 1.158) 4.997 13.607 ( 0.484 1.019 1.920) 2.227 13.661 ( 0.553 1.263 -0.170) 1.389 13.730 ( 3.926 1.039 -3.134) 5.130 13.961 ( -2.107 -1.832 1.575) 3.206 14.736 ( 8.433 6.891 -0.077) 10.890 14.779 ( 1.322 -1.510 -1.397) 2.445 14.894 ( 11.885 5.805 -1.023) 13.266 15.082 ( -8.557 1.766 2.060) 8.977 15.385 ( -6.575 9.595 -0.855) 11.663 15.471 ( -1.031 6.225 1.001) 6.389 15.674 ( 1.384 6.169 -1.571) 6.515 15.697 ( -2.156 6.848 1.316) 7.299 16.513 ( 1.670 3.120 -1.158) 3.723 16.603 ( -0.888 -3.627 1.886) 4.183 16.803 ( 0.929 -2.758 -0.505) 2.954 16.877 ( -1.396 1.552 -0.424) 2.130 16.964 ( -1.291 -0.006 -0.101) 1.295 17.049 ( -0.600 -5.178 1.629) 5.461 17.104 ( 0.804 -0.696 0.091) 1.068 17.142 ( -0.523 1.431 -1.406) 2.073 19.716 ( 0.965 4.395 0.023) 4.500 19.963 ( 0.647 5.294 0.019) 5.333 21.144 ( -0.550 -4.923 0.465) 4.976 21.342 ( -1.082 -3.356 -0.603) 3.578 22.798 ( -1.202 -5.632 0.237) 5.764 23.225 ( 0.058 -3.281 -0.183) 3.287 27.797 ( -0.088 0.025 -0.265) 0.280 27.886 ( -0.467 0.850 0.315) 1.020 29.432 ( -0.476 2.229 -1.015) 2.495 29.626 ( -0.149 0.581 0.196) 0.631 29.757 ( 4.701 2.770 1.537) 5.669 29.851 ( -3.269 1.759 -0.609) 3.762 30.943 ( 0.452 2.202 -0.428) 2.288 31.029 ( 0.540 1.766 0.474) 1.907 31.405 ( 0.834 -4.369 1.098) 4.581 31.555 ( -0.545 -0.600 -1.042) 1.320 31.681 ( 2.214 -2.853 -1.606) 3.952 31.755 ( -2.470 0.183 1.755) 3.035 31.954 ( -0.190 -5.761 -1.603) 5.983 32.250 ( 3.841 1.186 1.787) 4.400 32.435 ( 0.917 2.721 -1.199) 3.111 32.463 ( -3.257 3.575 -0.101) 4.837 32.613 ( 5.203 -3.838 1.467) 6.630 32.951 ( -5.591 4.025 -1.008) 6.963 34.427 ( 0.239 2.213 -0.969) 2.427 34.511 ( -0.672 -2.285 0.947) 2.563 34.871 ( 1.859 -11.909 0.738) 12.076 35.135 ( -7.881 2.168 -0.664) 8.200 35.758 ( 2.527 6.715 0.088) 7.175 36.145 ( -0.182 12.052 -1.023) 12.097 36.413 ( 16.010 -4.161 1.135) 16.581 36.894 ( -12.930 2.057 -0.094) 13.093 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.000 19.382 0.000) 19.382 1.677 ( -0.000 22.660 0.000) 22.660 1.952 ( -0.000 10.909 0.000) 10.909 2.405 ( -0.000 0.186 0.000) 0.186 2.470 ( -0.000 11.773 0.000) 11.773 2.675 ( 0.000 -16.267 -0.000) 16.267 2.780 ( -0.000 2.965 0.000) 2.965 3.001 ( -0.000 13.600 0.000) 13.600 3.091 ( 0.000 -1.941 -0.000) 1.941 3.172 ( -0.000 12.042 0.000) 12.042 3.223 ( 0.000 -2.155 -0.000) 2.155 3.554 ( 0.000 -3.929 -0.000) 3.929 3.626 ( -0.000 4.915 0.000) 4.915 3.740 ( 0.000 -5.664 -0.000) 5.664 3.932 ( -0.000 1.267 0.000) 1.267 4.009 ( -0.000 4.303 0.000) 4.303 4.148 ( 0.000 -5.376 -0.000) 5.376 4.203 ( -0.000 2.345 0.000) 2.345 4.326 ( -0.000 4.754 0.000) 4.754 4.489 ( -0.000 0.215 0.000) 0.215 4.497 ( 0.000 -4.469 -0.000) 4.469 4.538 ( -0.000 5.814 0.000) 5.814 4.543 ( -0.000 1.207 0.000) 1.207 4.859 ( 0.000 -0.015 -0.000) 0.015 4.926 ( -0.000 5.460 0.000) 5.460 5.020 ( 0.000 -9.687 -0.000) 9.687 5.166 ( -0.000 9.688 0.000) 9.688 5.318 ( 0.000 -6.469 -0.000) 6.469 5.399 ( -0.000 6.900 0.000) 6.900 5.714 ( 0.000 -5.516 -0.000) 5.516 5.916 ( 0.000 -6.534 -0.000) 6.534 5.927 ( 0.000 -4.195 -0.000) 4.195 6.135 ( 0.000 -9.924 -0.000) 9.924 6.280 ( 0.000 -8.890 -0.000) 8.890 7.268 ( 0.000 -2.455 -0.000) 2.455 7.451 ( -0.000 6.379 0.000) 6.379 7.569 ( 0.000 -4.969 -0.000) 4.969 7.703 ( -0.000 3.986 0.000) 3.986 7.836 ( 0.000 -5.975 -0.000) 5.975 7.998 ( 0.000 -9.987 -0.000) 9.987 8.219 ( -0.000 11.178 0.000) 11.178 8.320 ( 0.000 -4.187 -0.000) 4.187 8.579 ( 0.000 -9.950 -0.000) 9.950 8.689 ( -0.000 2.859 0.000) 2.859 8.713 ( -0.000 4.622 0.000) 4.622 8.800 ( -0.000 3.714 0.000) 3.714 9.172 ( 0.000 -5.361 -0.000) 5.361 9.420 ( 0.000 -5.409 -0.000) 5.409 9.858 ( 0.000 -7.970 -0.000) 7.970 9.992 ( 0.000 -1.823 -0.000) 1.823 10.142 ( 0.000 -1.959 -0.000) 1.959 10.408 ( -0.000 0.937 0.000) 0.937 10.795 ( 0.000 -1.048 -0.000) 1.048 11.002 ( -0.000 1.595 0.000) 1.595 11.163 ( -0.000 6.857 0.000) 6.857 11.179 ( -0.000 7.869 0.000) 7.869 11.823 ( 0.000 -3.887 -0.000) 3.887 11.899 ( 0.000 -3.215 -0.000) 3.215 12.689 ( 0.000 -2.780 -0.000) 2.780 12.845 ( -0.000 0.414 0.000) 0.414 12.904 ( 0.000 -2.060 -0.000) 2.060 13.170 ( 0.000 -3.590 -0.000) 3.590 13.604 ( -0.000 0.302 0.000) 0.302 13.638 ( -0.000 1.572 0.000) 1.572 13.716 ( -0.000 1.976 0.000) 1.976 14.002 ( 0.000 -2.981 -0.000) 2.981 14.658 ( -0.000 8.437 0.000) 8.437 14.818 ( 0.000 -1.820 -0.000) 1.820 14.866 ( -0.000 6.456 0.000) 6.456 14.955 ( -0.000 5.260 0.000) 5.260 15.156 ( -0.000 10.980 0.000) 10.980 15.385 ( -0.000 4.044 0.000) 4.044 15.546 ( -0.000 8.877 0.000) 8.877 15.591 ( -0.000 4.738 0.000) 4.738 16.468 ( -0.000 2.051 0.000) 2.051 16.654 ( 0.000 -1.661 -0.000) 1.661 16.823 ( -0.000 1.236 0.000) 1.236 16.868 ( 0.000 -1.713 -0.000) 1.713 16.953 ( -0.000 0.250 0.000) 0.250 17.095 ( -0.000 2.533 0.000) 2.533 17.103 ( -0.000 0.346 0.000) 0.346 17.146 ( 0.000 -4.234 -0.000) 4.234 19.658 ( -0.000 3.023 0.000) 3.023 19.884 ( -0.000 4.298 0.000) 4.298 21.239 ( 0.000 -6.131 -0.000) 6.131 21.400 ( 0.000 -4.113 -0.000) 4.113 22.884 ( 0.000 -5.210 -0.000) 5.210 23.267 ( 0.000 -1.608 -0.000) 1.608 27.763 ( -0.000 2.880 0.000) 2.880 27.917 ( 0.000 -3.686 -0.000) 3.686 29.375 ( -0.000 4.032 0.000) 4.032 29.602 ( -0.000 2.409 0.000) 2.409 29.740 ( -0.000 1.857 0.000) 1.857 29.828 ( 0.000 -1.041 -0.000) 1.041 30.902 ( -0.000 2.773 0.000) 2.773 31.006 ( -0.000 1.303 0.000) 1.303 31.446 ( 0.000 -0.755 -0.000) 0.755 31.531 ( -0.000 3.849 0.000) 3.849 31.743 ( 0.000 -4.210 -0.000) 4.210 31.786 ( 0.000 -4.304 -0.000) 4.304 32.044 ( 0.000 -4.686 -0.000) 4.686 32.229 ( -0.000 2.927 0.000) 2.927 32.365 ( -0.000 4.784 0.000) 4.784 32.387 ( -0.000 3.772 0.000) 3.772 32.794 ( 0.000 -10.649 -0.000) 10.649 32.797 ( -0.000 8.475 0.000) 8.475 34.382 ( -0.000 2.841 0.000) 2.841 34.558 ( 0.000 -3.357 -0.000) 3.357 34.999 ( -0.000 7.821 0.000) 7.821 35.085 ( 0.000 -10.485 -0.000) 10.485 35.691 ( -0.000 3.223 0.000) 3.223 35.959 ( -0.000 8.893 0.000) 8.893 36.679 ( 0.000 -14.306 -0.000) 14.306 36.776 ( -0.000 0.790 0.000) 0.790 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 9.569 -0.000 2.224) 9.824 1.290 ( 16.391 -0.000 0.383) 16.396 2.093 ( 3.416 -0.000 4.516) 5.662 2.127 ( 4.717 -0.000 -2.686) 5.428 2.719 ( 15.171 -0.000 9.536) 17.919 2.810 ( -0.678 0.000 -12.111) 12.130 2.856 ( -0.660 0.000 1.353) 1.506 2.986 ( 1.570 -0.000 2.651) 3.081 3.253 ( 4.643 -0.000 2.368) 5.212 3.367 ( 0.132 -0.000 1.152) 1.160 3.409 ( 5.897 -0.000 -0.016) 5.897 3.441 ( -1.222 0.000 7.566) 7.664 3.573 ( -3.832 0.000 -3.299) 5.056 3.585 ( 1.233 -0.000 -4.128) 4.309 3.786 ( -0.451 0.000 0.878) 0.987 3.873 ( -5.503 0.000 -9.507) 10.985 4.082 ( 0.692 -0.000 -2.561) 2.653 4.223 ( 2.650 -0.000 -0.738) 2.751 4.265 ( 9.412 -0.000 4.845) 10.586 4.304 ( 6.022 -0.000 -3.166) 6.804 4.539 ( 6.231 -0.000 1.473) 6.402 4.607 ( -2.949 0.000 -2.020) 3.574 4.715 ( 0.714 -0.000 3.230) 3.308 4.779 ( 3.105 -0.000 -1.189) 3.325 4.829 ( 2.631 -0.000 -1.716) 3.142 5.012 ( -0.785 0.000 3.064) 3.163 5.260 ( -0.494 0.000 -4.095) 4.124 5.283 ( -2.629 0.000 -0.800) 2.748 5.569 ( -3.176 0.000 -0.541) 3.221 5.578 ( -0.968 0.000 0.363) 1.033 5.754 ( -3.177 0.000 -1.239) 3.410 5.786 ( 0.628 -0.000 1.604) 1.722 5.909 ( -6.471 0.000 0.606) 6.499 5.977 ( -14.806 0.000 0.124) 14.807 6.945 ( -9.309 0.000 -6.798) 11.526 7.433 ( -0.102 0.000 0.174) 0.201 7.622 ( 1.008 -0.000 -0.375) 1.075 7.679 ( -1.058 0.000 9.152) 9.213 7.741 ( -4.798 0.000 2.033) 5.211 7.857 ( -1.156 0.000 2.691) 2.929 8.156 ( -1.746 0.000 0.878) 1.954 8.292 ( 0.391 -0.000 -3.729) 3.750 8.740 ( -0.648 0.000 -2.264) 2.355 8.901 ( 6.775 -0.000 -0.300) 6.782 8.920 ( 0.828 -0.000 3.844) 3.932 9.116 ( 0.683 -0.000 5.658) 5.699 9.261 ( -1.114 0.000 -3.233) 3.420 9.431 ( -8.526 0.000 -0.270) 8.530 9.704 ( -8.182 0.000 -2.213) 8.476 9.826 ( -4.616 0.000 5.445) 7.138 10.077 ( -1.583 0.000 -5.210) 5.445 10.571 ( 2.484 -0.000 0.768) 2.600 10.776 ( -0.342 0.000 0.046) 0.345 10.800 ( 3.897 -0.000 1.174) 4.070 11.395 ( 9.365 -0.000 3.989) 10.180 11.418 ( 9.376 -0.000 -4.345) 10.334 11.816 ( -4.969 0.000 -1.534) 5.201 11.827 ( -5.823 0.000 1.640) 6.049 12.737 ( -5.523 0.000 2.823) 6.203 12.931 ( -2.802 0.000 -0.610) 2.868 12.943 ( -1.820 0.000 1.559) 2.396 13.096 ( -0.638 0.000 -5.245) 5.284 13.668 ( 7.093 -0.000 -5.102) 8.737 13.672 ( 2.084 -0.000 -3.335) 3.932 13.698 ( -3.608 0.000 4.319) 5.628 14.089 ( -7.545 0.000 8.792) 11.586 14.751 ( 0.497 -0.000 -2.504) 2.553 14.880 ( 11.608 -0.000 -4.722) 12.532 14.902 ( 13.266 -0.000 3.109) 13.626 14.960 ( 0.385 -0.000 0.147) 0.412 15.656 ( 14.983 -0.000 -3.239) 15.329 15.771 ( 10.533 -0.000 -1.680) 10.666 15.789 ( 6.429 -0.000 3.086) 7.132 16.034 ( -7.891 0.000 2.100) 8.166 16.306 ( -6.423 0.000 2.491) 6.889 16.591 ( -2.354 0.000 0.380) 2.384 16.727 ( 0.967 -0.000 0.321) 1.018 16.835 ( 1.565 -0.000 -1.690) 2.303 16.909 ( -3.593 0.000 2.058) 4.141 17.026 ( 0.069 -0.000 -2.411) 2.412 17.034 ( -3.443 0.000 -0.532) 3.484 17.136 ( 4.227 -0.000 -5.537) 6.966 19.938 ( 11.901 -0.000 -4.193) 12.618 20.072 ( 8.384 -0.000 3.271) 9.000 21.226 ( -10.680 0.000 1.936) 10.854 21.349 ( -6.993 0.000 -1.706) 7.198 22.595 ( -5.508 0.000 0.740) 5.558 22.980 ( -4.293 0.000 -2.024) 4.747 27.761 ( -0.250 0.000 -5.389) 5.395 28.092 ( -4.401 0.000 5.967) 7.415 29.685 ( 1.058 -0.000 3.968) 4.106 29.723 ( 2.425 -0.000 0.439) 2.465 29.759 ( 2.021 -0.000 -7.007) 7.293 29.778 ( -0.433 0.000 1.465) 1.528 31.017 ( 0.324 -0.000 0.087) 0.336 31.040 ( 7.683 -0.000 -3.829) 8.585 31.120 ( -0.919 0.000 3.917) 4.023 31.169 ( 0.274 -0.000 0.136) 0.306 31.665 ( -2.907 0.000 -1.125) 3.117 31.882 ( -7.612 0.000 -0.024) 7.612 31.950 ( 1.516 -0.000 -0.255) 1.537 32.095 ( 2.534 -0.000 -0.016) 2.534 32.394 ( 7.617 -0.000 2.241) 7.939 32.444 ( 6.384 -0.000 -4.479) 7.798 32.606 ( 3.407 -0.000 3.041) 4.567 33.196 ( -5.306 0.000 -5.967) 7.985 34.310 ( -1.304 0.000 -0.974) 1.628 34.375 ( 3.505 -0.000 -4.100) 5.394 34.581 ( -6.771 0.000 9.620) 11.765 35.245 ( -8.288 0.000 1.425) 8.409 36.069 ( 9.737 -0.000 1.883) 9.917 36.222 ( 13.587 -0.000 -8.054) 15.794 36.889 ( -11.926 0.000 11.780) 16.763 37.364 ( -6.898 0.000 -2.396) 7.302 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.351 -14.410 1.853) 15.166 1.493 ( 12.065 -7.744 0.008) 14.337 2.100 ( 1.344 0.638 4.427) 4.670 2.236 ( 1.194 -7.785 -4.035) 8.850 2.671 ( -1.842 6.163 0.894) 6.494 2.829 ( -1.254 1.087 -5.472) 5.718 2.895 ( 11.811 1.686 2.179) 12.128 2.984 ( 2.101 2.652 1.564) 3.727 3.254 ( -2.378 1.561 3.491) 4.503 3.355 ( 1.243 3.107 -0.669) 3.413 3.398 ( 2.957 4.543 0.477) 5.441 3.483 ( 0.878 -1.754 4.724) 5.115 3.586 ( 1.718 -0.378 1.559) 2.350 3.612 ( -1.428 -4.736 -0.096) 4.948 3.802 ( -3.086 -3.691 -1.841) 5.151 3.876 ( -1.397 -7.988 -6.028) 10.104 4.068 ( -2.561 -0.194 -3.750) 4.545 4.237 ( 3.326 0.620 -4.177) 5.376 4.318 ( 3.883 1.456 3.936) 5.718 4.432 ( 7.153 -3.161 -1.798) 8.024 4.510 ( -4.408 3.040 -0.298) 5.362 4.601 ( 3.808 -1.246 -0.166) 4.010 4.696 ( 1.547 3.390 0.509) 3.761 4.846 ( 2.539 -1.778 7.087) 7.735 4.933 ( 7.343 -5.499 -3.626) 9.865 4.990 ( -0.055 2.074 0.535) 2.143 5.126 ( 4.222 7.367 -1.359) 8.600 5.279 ( -7.007 0.481 0.535) 7.044 5.576 ( -6.483 1.605 -1.934) 6.953 5.605 ( -1.096 -1.315 -0.694) 1.847 5.639 ( 3.555 1.440 1.224) 4.026 5.794 ( -2.859 0.672 2.528) 3.875 5.849 ( -3.260 -3.239 -3.746) 5.928 5.982 ( -9.410 -7.890 1.055) 12.326 6.897 ( -6.301 -5.523 -4.731) 9.623 7.439 ( 0.236 -0.527 -0.882) 1.054 7.525 ( -1.078 5.853 3.020) 6.673 7.709 ( -3.807 -0.547 1.699) 4.204 7.800 ( -0.258 -5.489 2.050) 5.865 7.858 ( -0.869 -2.666 3.490) 4.477 8.148 ( -0.879 -0.061 0.532) 1.030 8.240 ( 0.947 5.812 -2.787) 6.515 8.751 ( -0.538 -2.723 -2.941) 4.044 8.895 ( -0.537 3.384 2.170) 4.056 8.958 ( 8.195 2.837 0.350) 8.680 9.085 ( -3.918 2.634 2.923) 5.553 9.240 ( -0.543 3.593 -0.665) 3.694 9.358 ( -4.275 -0.933 -0.130) 4.378 9.613 ( -6.586 1.430 -1.857) 6.990 9.830 ( -1.909 -2.710 5.568) 6.480 10.049 ( -2.456 -0.418 -5.285) 5.842 10.564 ( 0.829 2.506 1.158) 2.882 10.757 ( -0.707 1.012 0.025) 1.235 10.883 ( 4.830 -3.356 0.259) 5.887 11.475 ( 7.405 1.439 2.088) 7.827 11.497 ( 8.338 -0.023 -2.955) 8.847 11.748 ( -5.076 1.292 -0.317) 5.248 11.794 ( -4.989 -1.307 0.929) 5.240 12.685 ( -4.643 1.142 2.579) 5.433 12.870 ( 1.838 3.287 -0.249) 3.774 12.945 ( -4.239 -1.535 -0.447) 4.530 13.092 ( -1.414 -0.871 -3.078) 3.498 13.665 ( -0.909 0.395 -2.881) 3.046 13.682 ( 0.475 1.061 3.544) 3.730 13.718 ( 7.379 0.652 -4.158) 8.495 14.030 ( -7.366 1.171 6.934) 10.184 14.742 ( -0.072 0.215 -2.108) 2.120 14.916 ( 7.544 3.457 -1.128) 8.375 14.985 ( 6.893 0.726 -4.842) 8.455 15.038 ( 4.650 -2.375 5.409) 7.518 15.726 ( 8.445 4.009 -1.467) 9.463 15.813 ( 4.970 2.543 -1.743) 5.849 15.874 ( 4.765 0.776 -0.218) 4.832 15.916 ( -2.067 5.776 3.674) 7.151 16.296 ( -2.484 -3.567 1.585) 4.627 16.609 ( -2.119 -3.950 0.770) 4.548 16.725 ( 0.345 1.677 0.648) 1.830 16.836 ( 0.463 -0.360 -0.814) 1.003 16.917 ( -2.147 -2.587 1.825) 3.825 16.993 ( -3.014 0.645 -1.840) 3.589 17.024 ( -0.531 -0.633 -0.643) 1.047 17.161 ( 2.859 -0.407 -3.566) 4.589 19.978 ( 9.779 5.917 -2.297) 11.659 20.145 ( 6.229 1.411 1.847) 6.649 21.122 ( -9.152 1.210 1.825) 9.410 21.287 ( -5.715 -0.655 -1.697) 5.998 22.575 ( -3.648 -2.566 0.565) 4.496 22.982 ( -2.796 -4.644 -1.374) 5.593 27.747 ( -0.299 -0.192 -2.771) 2.794 28.054 ( -3.148 1.749 3.578) 5.077 29.584 ( -0.616 6.515 0.735) 6.585 29.708 ( 1.852 4.313 -0.701) 4.746 29.791 ( -0.299 -3.252 0.805) 3.364 29.865 ( 3.353 -3.606 -1.578) 5.171 31.005 ( 2.795 1.224 -0.393) 3.077 31.104 ( 0.501 1.681 2.195) 2.809 31.155 ( 2.623 -4.476 -1.467) 5.391 31.209 ( -0.701 -5.133 -0.121) 5.182 31.665 ( -1.638 -3.011 -0.324) 3.443 31.799 ( -5.953 1.549 -0.314) 6.159 31.932 ( 0.675 2.897 -0.742) 3.066 32.129 ( 1.907 -1.246 0.742) 2.396 32.471 ( 6.562 0.301 1.908) 6.840 32.487 ( 4.867 -0.584 -5.047) 7.035 32.638 ( 1.347 0.509 4.004) 4.255 33.119 ( -5.468 0.968 -4.242) 6.987 34.341 ( -0.100 -4.757 -0.702) 4.809 34.406 ( 3.032 -1.218 -3.822) 5.028 34.542 ( -5.488 0.588 7.293) 9.146 35.188 ( -6.879 -1.173 0.601) 7.004 36.123 ( 6.813 4.388 1.450) 8.233 36.307 ( 12.978 1.937 -6.613) 14.694 36.735 ( -7.452 8.459 8.364) 14.037 37.268 ( -7.179 3.894 -1.515) 8.307 ======================= Grid point 32 (22/95) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.056 -15.823 1.004) 15.855 1.757 ( 6.880 -12.808 1.033) 14.576 2.116 ( 0.339 0.671 2.179) 2.305 2.372 ( -0.200 -9.509 -5.263) 10.870 2.562 ( 6.363 9.447 3.170) 11.823 2.751 ( -9.120 0.552 -5.926) 10.891 2.936 ( 4.193 7.263 -0.403) 8.396 2.992 ( 8.769 1.118 1.217) 8.923 3.157 ( -4.729 5.393 4.468) 8.451 3.295 ( 0.280 -0.499 0.121) 0.585 3.409 ( 3.699 2.169 0.922) 4.386 3.488 ( -2.566 0.946 0.608) 2.802 3.574 ( 0.363 2.232 -0.456) 2.306 3.730 ( -0.230 -8.378 2.150) 8.652 3.879 ( -1.009 -7.697 -1.246) 7.863 3.989 ( -0.736 -3.849 1.673) 4.261 4.039 ( -1.957 -3.336 -5.394) 6.637 4.237 ( 3.946 3.019 -1.224) 5.117 4.308 ( -2.789 1.803 2.547) 4.185 4.388 ( -4.779 0.338 -2.487) 5.398 4.535 ( 3.565 2.359 3.434) 5.483 4.634 ( 0.181 0.271 -2.412) 2.434 4.694 ( 3.493 -3.302 -1.527) 5.044 4.887 ( 1.805 1.764 4.904) 5.516 4.937 ( -0.588 4.075 -1.295) 4.316 5.039 ( 3.019 -0.528 -4.663) 5.580 5.087 ( 2.525 3.509 3.058) 5.296 5.271 ( 2.729 -4.902 0.241) 5.616 5.459 ( -4.311 1.090 -0.728) 4.506 5.627 ( 1.982 1.036 1.649) 2.779 5.698 ( 0.392 -4.456 -2.747) 5.249 5.790 ( -1.907 -2.025 3.296) 4.313 5.850 ( -2.567 -1.028 -3.179) 4.213 6.021 ( -6.302 -5.316 1.024) 8.309 6.981 ( -2.150 -10.114 -2.599) 10.661 7.396 ( -0.049 4.145 0.312) 4.157 7.524 ( 0.492 -4.444 1.103) 4.605 7.687 ( -2.221 0.533 0.993) 2.491 7.807 ( -0.016 0.798 -0.758) 1.101 7.997 ( 0.051 -9.871 3.331) 10.419 8.104 ( 0.675 9.182 -1.225) 9.288 8.149 ( -1.654 -0.388 -0.121) 1.703 8.775 ( 2.591 4.631 -2.845) 6.021 8.823 ( -3.287 -0.547 1.834) 3.804 8.968 ( 5.711 4.228 0.260) 7.110 9.011 ( -0.938 3.309 0.300) 3.452 9.109 ( -5.986 6.478 0.746) 8.852 9.375 ( 1.191 -0.568 0.165) 1.329 9.551 ( -3.837 -1.438 -1.263) 4.288 9.905 ( 1.822 -3.841 5.651) 7.072 10.014 ( -2.919 -0.492 -5.530) 6.272 10.523 ( 0.227 3.195 1.008) 3.358 10.739 ( -0.967 -0.127 -0.254) 1.008 10.977 ( 3.662 -2.624 0.115) 4.506 11.482 ( 2.867 4.521 1.500) 5.559 11.524 ( 4.417 3.984 -2.538) 6.467 11.698 ( -3.338 -0.834 -0.117) 3.442 11.788 ( -2.689 -2.348 0.920) 3.686 12.641 ( -1.835 0.745 1.412) 2.432 12.856 ( 3.694 1.867 -0.403) 4.158 12.944 ( 0.089 -1.657 -1.006) 1.941 13.052 ( -6.079 0.811 -0.427) 6.148 13.642 ( -1.205 0.863 2.254) 2.697 13.683 ( 1.106 0.391 -1.330) 1.774 13.763 ( 7.019 1.000 -3.495) 7.905 13.958 ( -6.272 1.302 4.094) 7.602 14.737 ( 0.152 -0.324 -0.960) 1.024 14.923 ( 7.014 3.885 -1.119) 8.096 15.012 ( 3.617 0.245 -4.015) 5.409 15.091 ( 0.104 0.585 4.957) 4.993 15.687 ( 3.481 7.445 -0.293) 8.224 15.716 ( -2.321 7.841 0.093) 8.178 15.825 ( 2.221 3.962 -1.241) 4.709 15.903 ( 2.295 3.861 1.631) 4.779 16.377 ( 0.198 -6.606 0.680) 6.644 16.669 ( -0.253 -1.679 1.184) 2.070 16.681 ( -1.093 0.778 -0.415) 1.404 16.870 ( 0.155 -3.544 -0.443) 3.575 16.927 ( -1.075 0.752 1.208) 1.783 16.964 ( -1.708 -0.934 -1.636) 2.543 17.040 ( -0.494 -2.023 0.428) 2.126 17.177 ( 1.283 0.177 -1.639) 2.088 19.925 ( 4.464 7.850 -0.649) 9.054 20.141 ( 2.802 4.517 0.560) 5.345 21.051 ( -4.358 -0.554 0.918) 4.488 21.261 ( -2.797 -1.613 -0.920) 3.358 22.612 ( -1.909 -4.768 0.281) 5.143 23.057 ( -0.986 -6.363 -0.546) 6.462 27.750 ( -0.092 -1.097 -0.888) 1.414 27.997 ( -1.350 3.338 1.243) 3.809 29.498 ( -0.364 3.386 0.034) 3.405 29.661 ( 0.692 2.503 -0.331) 2.618 29.826 ( 1.614 -0.129 1.399) 2.140 29.911 ( 0.553 0.222 -1.270) 1.403 31.007 ( 1.814 1.458 -0.299) 2.347 31.088 ( 0.679 1.665 0.978) 2.047 31.225 ( 0.213 -4.353 1.257) 4.536 31.325 ( -0.905 -8.688 -2.000) 8.961 31.713 ( -2.293 -1.759 -0.167) 2.895 31.746 ( 0.556 -1.445 0.779) 1.733 31.872 ( -0.917 3.714 -1.469) 4.098 32.184 ( 1.851 -3.175 1.106) 3.838 32.501 ( 2.749 1.691 0.560) 3.276 32.516 ( 2.311 0.546 -3.434) 4.175 32.631 ( -0.102 2.034 2.853) 3.505 33.049 ( -3.137 1.383 -1.825) 3.884 34.430 ( 3.014 -2.241 -3.088) 4.862 34.475 ( -0.030 -8.673 -0.533) 8.689 34.502 ( -3.900 0.940 4.799) 6.255 35.152 ( -4.559 -0.720 0.129) 4.617 36.050 ( 2.288 9.135 0.229) 9.420 36.380 ( 11.081 1.178 -3.788) 11.770 36.555 ( -2.406 10.134 4.848) 11.489 37.093 ( -6.917 8.035 -0.672) 10.623 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 -6.680 -0.000) 6.680 2.033 ( 0.000 -14.635 -0.000) 14.635 2.062 ( -0.000 5.531 0.000) 5.531 2.396 ( -0.000 7.433 0.000) 7.433 2.578 ( 0.000 -4.634 -0.000) 4.634 2.673 ( 0.000 -2.256 -0.000) 2.256 2.722 ( -0.000 17.705 0.000) 17.705 3.045 ( 0.000 -1.481 -0.000) 1.481 3.104 ( -0.000 0.053 0.000) 0.053 3.333 ( -0.000 2.533 0.000) 2.533 3.436 ( 0.000 -7.151 -0.000) 7.151 3.461 ( 0.000 -0.399 -0.000) 0.399 3.508 ( -0.000 5.474 0.000) 5.474 3.809 ( 0.000 -0.502 -0.000) 0.502 3.959 ( -0.000 4.173 0.000) 4.173 4.012 ( 0.000 -6.745 -0.000) 6.745 4.101 ( 0.000 -2.167 -0.000) 2.167 4.222 ( -0.000 2.600 0.000) 2.600 4.266 ( 0.000 -4.310 -0.000) 4.310 4.381 ( 0.000 -1.499 -0.000) 1.499 4.539 ( 0.000 -1.521 -0.000) 1.521 4.633 ( 0.000 -0.135 -0.000) 0.135 4.719 ( -0.000 12.501 0.000) 12.501 4.795 ( 0.000 -5.123 -0.000) 5.123 4.973 ( -0.000 2.402 0.000) 2.402 5.028 ( 0.000 -2.948 -0.000) 2.948 5.048 ( -0.000 1.122 0.000) 1.122 5.409 ( -0.000 2.676 0.000) 2.676 5.445 ( 0.000 -9.814 -0.000) 9.814 5.582 ( -0.000 4.609 0.000) 4.609 5.797 ( 0.000 -3.065 -0.000) 3.065 5.818 ( 0.000 -2.228 -0.000) 2.228 5.866 ( 0.000 -5.839 -0.000) 5.839 6.060 ( 0.000 -4.089 -0.000) 4.089 7.134 ( 0.000 -8.380 -0.000) 8.380 7.370 ( 0.000 -1.984 -0.000) 1.984 7.628 ( 0.000 -6.476 -0.000) 6.476 7.645 ( -0.000 3.489 0.000) 3.489 7.808 ( 0.000 -1.443 -0.000) 1.443 7.938 ( -0.000 9.937 0.000) 9.937 8.159 ( 0.000 -2.253 -0.000) 2.253 8.183 ( 0.000 -11.544 -0.000) 11.544 8.630 ( -0.000 10.865 0.000) 10.865 8.845 ( -0.000 0.349 0.000) 0.349 8.893 ( -0.000 7.366 0.000) 7.366 8.962 ( -0.000 5.800 0.000) 5.800 9.010 ( 0.000 -2.594 -0.000) 2.594 9.374 ( -0.000 1.284 0.000) 1.284 9.598 ( 0.000 -6.211 -0.000) 6.211 9.969 ( -0.000 0.669 0.000) 0.669 10.019 ( 0.000 -5.051 -0.000) 5.051 10.474 ( -0.000 2.886 0.000) 2.886 10.747 ( 0.000 -1.326 -0.000) 1.326 11.026 ( 0.000 -0.828 -0.000) 0.828 11.396 ( -0.000 6.827 0.000) 6.827 11.440 ( -0.000 7.175 0.000) 7.175 11.714 ( 0.000 -2.563 -0.000) 2.563 11.820 ( 0.000 -2.332 -0.000) 2.332 12.634 ( 0.000 -0.464 -0.000) 0.464 12.865 ( 0.000 -0.184 -0.000) 0.184 12.937 ( -0.000 4.392 0.000) 4.392 13.029 ( 0.000 -4.504 -0.000) 4.504 13.627 ( -0.000 0.835 0.000) 0.835 13.679 ( -0.000 0.588 0.000) 0.588 13.776 ( -0.000 1.661 0.000) 1.661 13.920 ( 0.000 -0.713 -0.000) 0.713 14.751 ( 0.000 -1.353 -0.000) 1.353 14.886 ( -0.000 5.294 0.000) 5.294 15.035 ( 0.000 -0.717 -0.000) 0.717 15.050 ( -0.000 4.216 0.000) 4.216 15.530 ( -0.000 10.697 0.000) 10.697 15.592 ( -0.000 7.795 0.000) 7.795 15.757 ( -0.000 4.927 0.000) 4.927 15.822 ( -0.000 6.981 0.000) 6.981 16.500 ( 0.000 -7.109 -0.000) 7.109 16.597 ( -0.000 4.875 0.000) 4.875 16.748 ( 0.000 -4.206 -0.000) 4.206 16.898 ( -0.000 1.760 0.000) 1.760 16.943 ( 0.000 -4.067 -0.000) 4.067 16.968 ( 0.000 -1.623 -0.000) 1.623 17.078 ( 0.000 -2.429 -0.000) 2.429 17.167 ( -0.000 1.390 0.000) 1.390 19.817 ( -0.000 6.917 0.000) 6.917 20.064 ( -0.000 5.942 0.000) 5.942 21.068 ( 0.000 -3.425 -0.000) 3.425 21.283 ( 0.000 -2.712 -0.000) 2.712 22.693 ( 0.000 -5.936 -0.000) 5.936 23.152 ( 0.000 -5.366 -0.000) 5.366 27.774 ( 0.000 -1.854 -0.000) 1.854 27.931 ( -0.000 3.876 0.000) 3.876 29.458 ( -0.000 1.665 0.000) 1.665 29.636 ( -0.000 0.952 0.000) 0.952 29.836 ( -0.000 0.762 0.000) 0.762 29.866 ( -0.000 4.056 0.000) 4.056 30.983 ( -0.000 2.270 0.000) 2.270 31.063 ( -0.000 1.847 0.000) 1.847 31.322 ( 0.000 -6.186 -0.000) 6.186 31.454 ( 0.000 -7.839 -0.000) 7.839 31.694 ( -0.000 0.924 0.000) 0.924 31.788 ( -0.000 4.221 0.000) 4.221 31.843 ( 0.000 -6.500 -0.000) 6.500 32.260 ( 0.000 -3.288 -0.000) 3.288 32.477 ( -0.000 2.095 0.000) 2.095 32.494 ( -0.000 2.403 0.000) 2.403 32.604 ( -0.000 0.936 0.000) 0.936 32.996 ( -0.000 3.252 0.000) 3.252 34.463 ( -0.000 1.825 0.000) 1.825 34.473 ( 0.000 -1.875 -0.000) 1.875 34.661 ( 0.000 -12.958 -0.000) 12.958 35.128 ( -0.000 0.824 0.000) 0.824 35.902 ( -0.000 9.254 0.000) 9.254 36.361 ( -0.000 12.815 0.000) 12.815 36.442 ( 0.000 -1.773 -0.000) 1.773 36.914 ( -0.000 7.666 0.000) 7.666 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.177 -0.000 0.649) 3.242 1.516 ( 6.656 -0.000 -0.321) 6.663 2.121 ( -1.042 0.000 2.563) 2.767 2.168 ( 1.158 -0.000 -1.412) 1.826 2.650 ( -3.880 0.000 -2.078) 4.401 2.862 ( -0.519 0.000 0.939) 1.073 3.003 ( 6.833 -0.000 0.578) 6.857 3.023 ( 0.522 -0.000 1.928) 1.998 3.263 ( 1.620 -0.000 -1.364) 2.118 3.338 ( -2.137 0.000 1.165) 2.434 3.479 ( 1.494 -0.000 3.135) 3.473 3.517 ( -1.892 0.000 0.043) 1.893 3.562 ( 0.340 -0.000 0.600) 0.690 3.636 ( 7.490 -0.000 3.550) 8.289 3.699 ( -5.743 0.000 -6.255) 8.492 3.789 ( 0.206 -0.000 -1.028) 1.049 4.021 ( -3.750 0.000 -3.342) 5.024 4.258 ( 2.645 -0.000 -2.661) 3.752 4.360 ( -0.056 0.000 -2.596) 2.597 4.478 ( -4.120 0.000 0.393) 4.139 4.509 ( 9.023 -0.000 3.468) 9.667 4.624 ( 3.749 -0.000 -0.933) 3.863 4.746 ( -1.388 0.000 2.225) 2.622 4.874 ( 2.031 -0.000 4.744) 5.160 4.948 ( 10.106 -0.000 -7.733) 12.725 5.015 ( 1.483 -0.000 5.610) 5.803 5.196 ( -8.477 0.000 0.848) 8.519 5.207 ( -1.849 0.000 -2.468) 3.084 5.574 ( 2.230 -0.000 -0.762) 2.356 5.587 ( 1.310 -0.000 -0.202) 1.325 5.682 ( -3.773 0.000 0.257) 3.782 5.778 ( -5.106 0.000 -0.351) 5.118 5.784 ( 0.200 -0.000 -1.176) 1.193 5.834 ( -2.498 0.000 1.118) 2.737 6.786 ( -4.045 0.000 -2.200) 4.604 7.422 ( -0.679 0.000 -0.033) 0.680 7.629 ( 0.127 -0.000 -0.295) 0.321 7.675 ( -2.495 0.000 0.960) 2.673 7.690 ( -0.995 0.000 3.175) 3.327 7.854 ( -0.320 0.000 1.151) 1.194 8.146 ( -0.031 0.000 0.178) 0.180 8.296 ( 1.008 -0.000 -1.707) 1.983 8.714 ( -0.475 0.000 -1.497) 1.571 8.927 ( -0.038 0.000 0.925) 0.926 9.075 ( 9.797 -0.000 0.188) 9.799 9.079 ( -2.921 0.000 1.368) 3.225 9.261 ( -9.584 0.000 0.424) 9.593 9.299 ( 2.765 -0.000 -0.609) 2.831 9.581 ( -3.566 0.000 -0.442) 3.593 9.790 ( -1.782 0.000 2.986) 3.478 10.016 ( -1.422 0.000 -3.124) 3.432 10.592 ( 0.030 -0.000 0.649) 0.649 10.772 ( -0.105 0.000 0.031) 0.109 10.882 ( 2.976 -0.000 0.054) 2.976 11.557 ( 5.278 -0.000 2.104) 5.682 11.572 ( 9.100 -0.000 -3.651) 9.805 11.715 ( -7.476 0.000 2.595) 7.914 11.729 ( -3.261 0.000 -1.185) 3.470 12.665 ( -2.861 0.000 1.648) 3.301 12.894 ( -0.780 0.000 -0.618) 0.995 12.898 ( -2.063 0.000 0.094) 2.065 13.084 ( 0.690 -0.000 -1.754) 1.885 13.657 ( 0.100 -0.000 -2.884) 2.886 13.704 ( -0.378 0.000 3.656) 3.675 13.774 ( 6.086 -0.000 -4.503) 7.570 13.991 ( -6.186 0.000 5.657) 8.382 14.737 ( -0.114 0.000 -1.294) 1.299 14.967 ( 0.234 -0.000 0.095) 0.253 15.029 ( 4.823 -0.000 -1.498) 5.051 15.095 ( 5.252 -0.000 1.144) 5.375 15.814 ( 3.934 -0.000 -2.000) 4.413 15.878 ( 1.531 -0.000 -1.637) 2.241 15.919 ( 4.226 -0.000 0.146) 4.229 15.950 ( -1.917 0.000 3.730) 4.194 16.251 ( -0.648 0.000 0.698) 0.952 16.554 ( -1.351 0.000 0.142) 1.358 16.748 ( 0.571 -0.000 0.585) 0.817 16.851 ( 0.682 -0.000 -0.649) 0.941 16.869 ( -1.538 0.000 2.557) 2.984 16.968 ( -2.247 0.000 -1.853) 2.913 17.013 ( -0.276 0.000 -0.622) 0.680 17.170 ( 1.510 -0.000 -1.876) 2.408 20.111 ( 6.649 -0.000 -2.189) 7.000 20.209 ( 3.729 -0.000 1.738) 4.114 21.060 ( -6.255 0.000 1.387) 6.407 21.231 ( -3.520 0.000 -1.142) 3.700 22.532 ( -1.661 0.000 0.335) 1.694 22.914 ( -1.653 0.000 -0.831) 1.850 27.735 ( -0.286 0.000 -1.498) 1.525 28.052 ( -1.859 0.000 2.071) 2.782 29.669 ( -1.885 0.000 -0.793) 2.045 29.718 ( 0.667 -0.000 1.171) 1.348 29.775 ( -0.390 0.000 0.780) 0.872 29.842 ( 3.401 -0.000 -1.834) 3.864 31.020 ( 0.073 -0.000 -0.062) 0.095 31.127 ( -0.241 0.000 1.726) 1.743 31.152 ( 4.371 -0.000 -1.267) 4.551 31.174 ( 0.251 -0.000 -0.006) 0.251 31.622 ( -1.060 0.000 -0.440) 1.147 31.752 ( -4.639 0.000 -0.108) 4.640 31.967 ( 0.395 -0.000 -0.144) 0.421 32.135 ( 1.199 -0.000 0.324) 1.242 32.500 ( 2.299 -0.000 -3.551) 4.230 32.544 ( 5.354 -0.000 1.747) 5.632 32.665 ( 0.804 -0.000 2.776) 2.890 33.066 ( -4.318 0.000 -2.718) 5.102 34.295 ( -0.126 0.000 -0.220) 0.254 34.418 ( 2.891 -0.000 -3.360) 4.433 34.518 ( -3.917 0.000 5.056) 6.396 35.133 ( -3.402 0.000 0.159) 3.405 36.222 ( 4.415 -0.000 1.191) 4.573 36.410 ( 9.284 -0.000 -5.805) 10.949 36.738 ( -8.493 0.000 6.619) 10.768 37.256 ( -2.948 0.000 -1.152) 3.165 ======================= Grid point 41 (25/95) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 -12.387 -0.000) 12.387 1.613 ( 0.000 -7.795 -0.000) 7.795 2.125 ( 0.000 -0.453 -0.000) 0.453 2.224 ( 0.000 -6.233 -0.000) 6.233 2.642 ( 0.000 -1.320 -0.000) 1.320 2.790 ( -0.000 7.552 0.000) 7.552 3.011 ( -0.000 1.565 0.000) 1.565 3.046 ( 0.000 -0.364 -0.000) 0.364 3.215 ( -0.000 4.277 0.000) 4.277 3.358 ( -0.000 2.028 0.000) 2.028 3.437 ( -0.000 3.531 0.000) 3.531 3.543 ( -0.000 5.060 0.000) 5.060 3.559 ( 0.000 -5.315 -0.000) 5.315 3.597 ( 0.000 -4.195 -0.000) 4.195 3.797 ( 0.000 -2.084 -0.000) 2.084 3.855 ( 0.000 -10.804 -0.000) 10.804 3.995 ( 0.000 -0.013 -0.000) 0.013 4.269 ( 0.000 -0.237 -0.000) 0.237 4.355 ( 0.000 -0.261 -0.000) 0.261 4.396 ( -0.000 6.318 0.000) 6.318 4.580 ( 0.000 -0.797 -0.000) 0.797 4.660 ( 0.000 -1.461 -0.000) 1.461 4.688 ( -0.000 4.427 0.000) 4.427 4.886 ( -0.000 0.206 0.000) 0.206 4.993 ( 0.000 -1.333 -0.000) 1.333 5.074 ( -0.000 2.558 0.000) 2.558 5.123 ( 0.000 -0.897 -0.000) 0.897 5.209 ( 0.000 -2.346 -0.000) 2.346 5.486 ( -0.000 6.426 0.000) 6.426 5.608 ( 0.000 -2.455 -0.000) 2.455 5.680 ( -0.000 0.587 0.000) 0.587 5.764 ( 0.000 -1.076 -0.000) 1.076 5.809 ( 0.000 -2.044 -0.000) 2.044 5.894 ( 0.000 -6.602 -0.000) 6.602 6.821 ( 0.000 -6.629 -0.000) 6.629 7.438 ( 0.000 -1.651 -0.000) 1.651 7.520 ( -0.000 6.256 0.000) 6.256 7.673 ( 0.000 -0.754 -0.000) 0.754 7.800 ( 0.000 -4.699 -0.000) 4.699 7.862 ( 0.000 -3.766 -0.000) 3.766 8.143 ( -0.000 0.375 0.000) 0.375 8.245 ( -0.000 6.230 0.000) 6.230 8.736 ( 0.000 -3.132 -0.000) 3.132 8.894 ( -0.000 4.204 0.000) 4.204 9.046 ( -0.000 2.327 0.000) 2.327 9.106 ( -0.000 5.055 0.000) 5.055 9.148 ( -0.000 3.555 0.000) 3.555 9.349 ( 0.000 -2.980 -0.000) 2.980 9.538 ( -0.000 1.976 0.000) 1.976 9.836 ( 0.000 -5.083 -0.000) 5.083 10.000 ( -0.000 0.593 0.000) 0.593 10.574 ( -0.000 2.248 0.000) 2.248 10.749 ( -0.000 1.691 0.000) 1.691 10.937 ( 0.000 -3.752 -0.000) 3.752 11.565 ( -0.000 2.808 0.000) 2.808 11.613 ( -0.000 2.780 0.000) 2.780 11.661 ( 0.000 -0.600 -0.000) 0.600 11.730 ( 0.000 -2.354 -0.000) 2.354 12.647 ( -0.000 0.691 0.000) 0.691 12.881 ( -0.000 0.647 0.000) 0.647 12.908 ( 0.000 -2.188 -0.000) 2.188 13.065 ( -0.000 2.367 0.000) 2.367 13.649 ( -0.000 0.490 0.000) 0.490 13.698 ( -0.000 0.852 0.000) 0.852 13.803 ( 0.000 -0.126 -0.000) 0.126 13.953 ( -0.000 1.466 0.000) 1.466 14.734 ( -0.000 0.023 0.000) 0.023 14.981 ( 0.000 -1.429 -0.000) 1.429 15.023 ( -0.000 2.869 0.000) 2.869 15.123 ( -0.000 0.300 0.000) 0.300 15.799 ( -0.000 3.613 0.000) 3.613 15.826 ( -0.000 6.068 0.000) 6.068 15.897 ( -0.000 3.431 0.000) 3.431 15.957 ( -0.000 0.749 0.000) 0.749 16.285 ( 0.000 -4.136 -0.000) 4.136 16.588 ( 0.000 -4.320 -0.000) 4.320 16.732 ( -0.000 2.468 0.000) 2.468 16.836 ( 0.000 -0.318 -0.000) 0.318 16.912 ( 0.000 -3.126 -0.000) 3.126 16.945 ( -0.000 0.928 0.000) 0.928 17.016 ( 0.000 -0.631 -0.000) 0.631 17.178 ( 0.000 -0.353 -0.000) 0.353 20.077 ( -0.000 6.757 0.000) 6.757 20.215 ( -0.000 2.189 0.000) 2.189 21.027 ( -0.000 0.303 0.000) 0.303 21.222 ( 0.000 -1.068 -0.000) 1.068 22.543 ( 0.000 -2.373 -0.000) 2.373 22.951 ( 0.000 -5.105 -0.000) 5.105 27.735 ( 0.000 -0.443 -0.000) 0.443 28.033 ( -0.000 1.604 0.000) 1.604 29.574 ( -0.000 5.906 0.000) 5.906 29.721 ( -0.000 4.167 0.000) 4.167 29.793 ( 0.000 -4.229 -0.000) 4.229 29.898 ( 0.000 -2.637 -0.000) 2.637 31.026 ( 0.000 -0.193 -0.000) 0.193 31.117 ( -0.000 1.167 0.000) 1.167 31.180 ( 0.000 -1.498 -0.000) 1.498 31.212 ( 0.000 -4.344 -0.000) 4.344 31.647 ( 0.000 -3.374 -0.000) 3.374 31.731 ( 0.000 -0.248 -0.000) 0.248 31.937 ( -0.000 3.504 0.000) 3.504 32.153 ( 0.000 -1.495 -0.000) 1.495 32.513 ( 0.000 -0.659 -0.000) 0.659 32.559 ( -0.000 1.769 0.000) 1.769 32.663 ( -0.000 1.172 0.000) 1.172 33.040 ( -0.000 0.148 0.000) 0.148 34.339 ( 0.000 -5.244 -0.000) 5.244 34.434 ( 0.000 -0.758 -0.000) 0.758 34.501 ( -0.000 0.553 0.000) 0.553 35.121 ( 0.000 -0.509 -0.000) 0.509 36.194 ( -0.000 5.996 0.000) 5.996 36.444 ( -0.000 0.676 0.000) 0.676 36.663 ( -0.000 4.773 0.000) 4.773 37.188 ( -0.000 6.072 0.000) 6.072 ======================= Grid point 83 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 12.575 -0.000 28.762) 31.391 0.621 ( -3.314 0.000 30.348) 30.528 1.276 ( -14.996 0.000 57.631) 59.550 1.629 ( -11.523 0.000 -20.046) 23.122 1.734 ( 2.700 -0.000 -18.764) 18.958 2.593 ( 11.491 -0.000 14.981) 18.880 2.637 ( 1.100 -0.000 -6.963) 7.050 2.983 ( -3.576 0.000 2.059) 4.126 3.070 ( -3.098 0.000 6.393) 7.104 3.270 ( -1.816 0.000 6.204) 6.464 3.333 ( -6.497 0.000 -1.363) 6.639 3.437 ( -0.730 0.000 1.713) 1.862 3.617 ( 3.366 -0.000 -16.806) 17.140 3.646 ( -3.774 0.000 4.333) 5.746 3.658 ( 4.923 -0.000 -8.726) 10.019 3.844 ( 6.696 -0.000 -6.911) 9.623 3.942 ( -3.912 0.000 -2.734) 4.773 4.109 ( 5.064 -0.000 3.642) 6.237 4.208 ( 3.942 -0.000 -3.629) 5.358 4.356 ( -1.461 0.000 -5.124) 5.328 4.486 ( -3.028 0.000 6.187) 6.888 4.559 ( -3.973 0.000 -0.692) 4.033 4.635 ( 1.213 -0.000 -4.729) 4.882 4.754 ( 11.551 -0.000 -2.376) 11.793 4.769 ( 4.642 -0.000 -9.223) 10.325 4.878 ( 0.410 -0.000 -10.183) 10.191 5.068 ( -14.251 0.000 14.538) 20.358 5.347 ( 3.669 -0.000 6.597) 7.549 5.425 ( -0.386 0.000 3.845) 3.864 5.661 ( 4.166 -0.000 -7.269) 8.379 6.024 ( -0.159 0.000 1.941) 1.947 6.088 ( 2.855 -0.000 -1.878) 3.417 6.287 ( -3.849 0.000 6.532) 7.582 6.562 ( 0.600 -0.000 -4.576) 4.615 7.362 ( 5.965 -0.000 0.358) 5.976 7.405 ( -6.296 0.000 -2.472) 6.764 7.570 ( -0.002 0.000 4.158) 4.158 7.718 ( -0.227 0.000 -2.550) 2.560 8.041 ( -2.675 0.000 4.025) 4.833 8.301 ( 0.813 -0.000 -6.451) 6.502 8.458 ( -5.123 0.000 5.946) 7.849 8.555 ( 6.295 -0.000 7.718) 9.960 8.660 ( -6.365 0.000 0.365) 6.376 8.804 ( 3.988 -0.000 -5.311) 6.642 8.887 ( -0.599 0.000 5.662) 5.694 9.214 ( 4.993 -0.000 -5.397) 7.352 9.557 ( -0.911 0.000 1.333) 1.615 9.677 ( 0.959 -0.000 -3.763) 3.884 10.006 ( 1.426 -0.000 0.184) 1.438 10.101 ( -1.294 0.000 -2.493) 2.809 10.149 ( -5.908 0.000 4.862) 7.651 10.351 ( 1.293 -0.000 -3.569) 3.796 10.739 ( -2.484 0.000 -0.622) 2.561 10.834 ( 6.985 -0.000 -4.678) 8.407 10.882 ( 8.076 -0.000 4.349) 9.172 10.988 ( -7.412 0.000 0.251) 7.416 12.077 ( 1.619 -0.000 2.068) 2.626 12.142 ( 0.452 -0.000 -0.635) 0.779 12.878 ( -0.850 0.000 -0.026) 0.851 12.924 ( -0.184 0.000 -3.080) 3.085 13.143 ( -0.032 0.000 6.331) 6.331 13.408 ( 6.939 -0.000 -5.798) 9.043 13.537 ( -2.133 0.000 2.584) 3.351 13.608 ( 6.620 -0.000 0.581) 6.645 13.878 ( -55.054 0.000 1.038) 55.064 13.939 ( 8.558 -0.000 -1.345) 8.663 14.270 ( 0.258 -0.000 0.545) 0.603 14.304 ( -0.746 0.000 -0.783) 1.082 14.721 ( 19.324 -0.000 0.509) 19.331 14.796 ( 1.877 -0.000 -2.864) 3.424 15.117 ( -0.633 0.000 2.414) 2.496 15.169 ( -2.885 0.000 4.117) 5.027 15.269 ( -3.440 0.000 -0.881) 3.551 15.397 ( 6.090 -0.000 -2.783) 6.695 16.601 ( 3.906 -0.000 -2.039) 4.406 16.625 ( -2.773 0.000 -2.051) 3.449 16.729 ( 2.186 -0.000 2.443) 3.279 16.781 ( -6.437 0.000 2.497) 6.905 16.922 ( 3.115 -0.000 -0.740) 3.202 16.962 ( 0.460 -0.000 -0.926) 1.034 17.225 ( 0.507 -0.000 3.576) 3.612 17.413 ( -15.619 0.000 -3.805) 16.076 19.593 ( -1.763 0.000 1.748) 2.483 19.672 ( 1.443 -0.000 -1.319) 1.955 21.502 ( -1.814 0.000 1.020) 2.081 21.565 ( 0.769 -0.000 -1.444) 1.636 22.999 ( -0.204 0.000 3.536) 3.542 23.175 ( 0.106 -0.000 -3.290) 3.291 28.105 ( -46.001 0.000 0.644) 46.005 28.133 ( 8.459 -0.000 -0.425) 8.470 29.395 ( -6.257 0.000 2.505) 6.740 29.554 ( 21.563 -0.000 -4.119) 21.953 29.782 ( 0.091 -0.000 3.285) 3.286 29.923 ( 0.029 -0.000 -2.600) 2.600 30.813 ( -13.624 0.000 4.109) 14.231 31.002 ( 2.381 -0.000 -1.070) 2.611 31.068 ( 1.970 -0.000 -1.864) 2.712 31.136 ( 0.636 -0.000 -2.219) 2.308 31.785 ( -0.066 0.000 1.828) 1.829 31.834 ( -2.021 0.000 0.616) 2.113 32.008 ( 1.597 -0.000 1.537) 2.217 32.132 ( 0.368 -0.000 -2.471) 2.498 32.203 ( -1.997 0.000 1.107) 2.283 32.220 ( 0.399 -0.000 0.240) 0.465 32.293 ( 25.742 -0.000 0.618) 25.750 32.340 ( -2.870 0.000 -1.171) 3.100 34.324 ( 0.601 -0.000 1.471) 1.589 34.424 ( -0.799 0.000 -2.491) 2.616 35.395 ( 4.564 -0.000 3.207) 5.578 35.522 ( -18.656 0.000 -1.595) 18.724 35.783 ( 2.677 -0.000 0.416) 2.709 35.834 ( -1.264 0.000 -1.318) 1.826 37.712 ( 21.898 -0.000 0.728) 21.911 37.748 ( -1.552 0.000 -0.668) 1.690 ======================= Grid point 84 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 9.900 -16.384 21.306) 28.643 0.998 ( 21.545 -11.250 23.467) 33.785 1.426 ( -4.465 -10.174 43.007) 44.419 1.558 ( 1.534 -5.050 -18.465) 19.204 1.812 ( 5.009 -11.565 -13.463) 18.441 2.638 ( 3.657 0.560 -3.350) 4.990 2.744 ( 9.437 2.273 9.542) 13.612 2.941 ( 1.100 0.846 0.436) 1.455 3.126 ( -0.897 -5.281 5.411) 7.613 3.265 ( -5.497 -0.133 4.268) 6.961 3.320 ( 1.728 -3.655 -2.964) 5.013 3.465 ( 3.487 -0.006 1.836) 3.941 3.533 ( 1.734 2.669 -13.245) 13.622 3.671 ( 0.777 -2.361 -4.147) 4.835 3.722 ( 2.238 -2.804 1.337) 3.828 3.881 ( -0.552 -1.908 -4.821) 5.214 3.960 ( 1.297 -5.079 -5.646) 7.704 4.120 ( 2.468 3.949 2.022) 5.077 4.273 ( -0.073 -3.200 -1.294) 3.452 4.322 ( 2.613 -0.444 -4.610) 5.318 4.454 ( -3.348 1.175 2.834) 4.541 4.518 ( -3.357 1.724 0.971) 3.897 4.607 ( -2.252 -1.979 -5.529) 6.289 4.758 ( 3.948 2.098 -1.866) 4.844 4.794 ( 3.414 -0.194 -6.294) 7.163 4.927 ( -0.427 -1.743 5.742) 6.016 5.081 ( -1.326 -5.429 -5.147) 7.597 5.380 ( 3.797 3.028 6.432) 8.059 5.486 ( 2.820 -1.617 -2.838) 4.315 5.773 ( 1.573 -8.895 -14.676) 17.233 5.962 ( -4.635 3.436 2.377) 6.240 6.077 ( -3.126 0.851 -2.026) 3.821 6.262 ( -6.744 -0.266 4.460) 8.090 6.531 ( -2.165 0.850 -4.046) 4.667 7.321 ( -5.324 1.499 -2.884) 6.238 7.428 ( 4.589 -0.312 0.980) 4.703 7.536 ( -1.118 4.066 4.601) 6.241 7.696 ( -0.032 1.124 -2.339) 2.595 7.994 ( -3.817 2.284 5.672) 7.208 8.244 ( -1.614 3.909 -4.430) 6.125 8.427 ( -6.655 -0.554 7.090) 9.740 8.539 ( -13.367 2.326 9.078) 16.325 8.662 ( 5.267 -1.187 4.858) 7.263 8.836 ( 2.886 -0.256 -4.068) 4.994 8.866 ( 1.428 4.018 4.797) 6.418 8.945 ( -8.973 11.568 5.305) 15.572 9.504 ( -4.063 4.748 0.648) 6.283 9.622 ( -1.211 3.578 -4.367) 5.774 10.029 ( 0.953 -0.220 -0.087) 0.982 10.088 ( -3.374 -1.121 -2.528) 4.363 10.121 ( -5.416 -0.906 4.896) 7.357 10.363 ( 1.871 -0.718 -3.478) 4.015 10.750 ( 1.336 -0.651 -1.363) 2.017 10.884 ( -2.033 -2.992 -2.242) 4.256 10.957 ( 5.813 0.296 -0.964) 5.900 10.992 ( 8.039 -2.144 2.991) 8.841 12.050 ( -3.003 3.487 1.853) 4.961 12.084 ( -3.655 3.279 -0.455) 4.931 12.805 ( -5.333 3.548 -0.823) 6.458 12.900 ( -0.377 0.595 -2.288) 2.394 13.148 ( -0.925 0.958 6.081) 6.225 13.366 ( -3.760 4.634 0.545) 5.993 13.529 ( 0.594 -0.589 -0.945) 1.262 13.573 ( -7.248 -0.947 3.382) 8.055 13.709 ( 1.876 -1.146 3.903) 4.480 14.049 ( 8.339 0.408 1.762) 8.533 14.301 ( -0.693 -3.282 0.429) 3.382 14.382 ( 4.617 -6.720 -0.829) 8.195 14.820 ( 5.998 -0.239 0.425) 6.017 14.880 ( 3.176 -2.855 -4.133) 5.943 15.099 ( 11.335 3.818 2.108) 12.145 15.242 ( 13.253 2.662 -2.244) 13.702 15.270 ( 7.167 0.644 -3.374) 7.947 15.476 ( 7.822 -1.740 -0.529) 8.031 16.566 ( -3.372 1.988 -0.526) 3.950 16.644 ( 2.807 -1.621 -2.591) 4.150 16.733 ( -2.120 -0.690 1.044) 2.462 16.766 ( -1.840 -1.350 0.105) 2.285 16.948 ( 1.626 -0.536 -0.740) 1.865 16.970 ( 1.978 0.068 0.363) 2.013 17.196 ( -8.887 3.585 6.421) 11.535 17.248 ( -2.969 0.204 2.743) 4.047 19.590 ( 1.014 0.027 1.392) 1.722 19.724 ( 3.876 -2.050 -3.273) 5.471 21.475 ( -1.341 2.328 0.925) 2.842 21.551 ( -0.138 1.504 -1.416) 2.070 23.017 ( -5.576 -1.803 1.298) 6.002 23.161 ( -2.087 -1.931 -4.208) 5.079 27.788 ( -13.704 2.250 9.896) 17.052 28.178 ( 6.962 4.394 2.661) 8.652 29.363 ( -0.589 -0.676 1.774) 1.988 29.542 ( 5.752 8.786 3.695) 11.132 29.762 ( 1.470 1.269 1.767) 2.626 29.895 ( -0.059 1.928 -3.369) 3.882 30.769 ( -1.336 -1.846 2.824) 3.629 31.011 ( 3.311 3.025 -4.036) 6.033 31.248 ( 1.059 -9.080 0.948) 9.191 31.324 ( -9.276 -20.856 -9.798) 24.840 31.731 ( 0.803 4.106 2.948) 5.118 31.845 ( -1.559 0.348 -3.279) 3.647 32.094 ( -0.787 -7.356 0.355) 7.407 32.130 ( -1.738 -1.877 -2.133) 3.331 32.182 ( -0.857 0.243 0.505) 1.024 32.224 ( 0.297 -0.230 -0.143) 0.402 32.351 ( 2.614 -2.063 -1.343) 3.590 32.639 ( 27.213 -7.300 -16.486) 32.644 34.332 ( -0.334 -0.648 2.855) 2.947 34.455 ( -1.745 -5.645 -3.807) 7.029 35.277 ( -17.740 7.991 9.907) 21.833 35.451 ( 7.325 1.557 5.013) 9.011 35.750 ( -3.021 4.159 1.939) 5.494 35.821 ( 3.063 -1.417 0.648) 3.436 37.347 ( -10.339 31.331 12.515) 35.287 37.625 ( 3.888 14.153 -1.591) 14.763 ======================= Grid point 85 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 17.465 -16.482 12.637) 27.136 1.391 ( 7.232 -12.019 24.062) 27.852 1.684 ( 0.172 -13.925 8.657) 16.397 1.722 ( 16.455 -5.647 -4.565) 17.986 2.109 ( 4.838 -18.595 -4.455) 19.724 2.651 ( 0.870 1.754 -5.004) 5.373 2.733 ( -2.592 -0.288 4.503) 5.203 2.992 ( 7.199 1.872 3.634) 8.279 3.179 ( -2.723 -0.146 1.645) 3.185 3.227 ( -2.515 0.057 7.003) 7.441 3.396 ( 3.404 -1.109 2.196) 4.200 3.517 ( 5.440 -0.554 -1.770) 5.748 3.557 ( 7.474 -6.895 -15.973) 18.935 3.738 ( 1.954 -3.587 -2.824) 4.966 3.762 ( -0.154 -0.837 4.072) 4.160 3.919 ( -2.443 -7.811 -4.209) 9.203 4.016 ( 0.716 -0.882 -2.114) 2.400 4.095 ( 3.941 2.850 2.189) 5.333 4.254 ( -2.743 -0.627 -2.755) 3.938 4.357 ( -1.526 0.949 -3.265) 3.727 4.454 ( 1.499 -1.764 1.016) 2.528 4.484 ( -2.064 -2.379 1.493) 3.486 4.660 ( 0.327 -7.286 -4.218) 8.425 4.767 ( 0.769 0.252 -0.294) 0.861 4.808 ( 2.317 -0.888 -4.344) 5.003 4.963 ( -0.770 -0.212 7.567) 7.609 5.134 ( -1.056 -4.461 -6.480) 7.937 5.317 ( 2.370 9.661 0.268) 9.952 5.500 ( 1.511 1.096 -0.010) 1.866 5.804 ( -5.021 -0.253 -4.316) 6.626 5.893 ( -2.874 0.212 -6.090) 6.737 6.004 ( -5.135 1.507 -0.357) 5.364 6.162 ( -9.417 3.915 -1.088) 10.256 6.489 ( -1.515 0.830 -2.097) 2.716 7.257 ( -4.581 -0.946 -2.949) 5.529 7.420 ( -0.388 3.410 -0.368) 3.452 7.511 ( 1.452 0.435 5.664) 5.863 7.679 ( 1.876 0.831 -3.496) 4.054 7.941 ( -4.461 2.165 5.333) 7.282 8.144 ( -2.120 4.238 -0.928) 4.828 8.364 ( -11.328 1.331 12.972) 17.273 8.444 ( -8.338 -2.388 4.414) 9.732 8.714 ( 3.629 1.999 2.512) 4.846 8.743 ( 0.221 8.598 2.559) 8.973 8.844 ( 4.564 2.734 1.812) 5.620 8.875 ( 4.127 0.966 -4.227) 5.986 9.373 ( -4.567 5.854 1.660) 7.608 9.520 ( -2.133 5.157 -3.776) 6.739 9.961 ( -7.320 2.876 -0.993) 7.928 10.080 ( -3.991 -0.131 1.264) 4.189 10.107 ( -0.989 -0.858 0.426) 1.377 10.394 ( 3.108 -0.843 -1.803) 3.690 10.761 ( 0.794 -0.220 -1.535) 1.742 10.884 ( -5.232 -2.198 1.827) 5.962 11.045 ( 9.925 -1.429 -4.130) 10.845 11.147 ( 9.411 -4.752 3.603) 11.142 11.950 ( -3.884 4.014 0.927) 5.662 11.976 ( -5.102 4.403 -0.691) 6.774 12.695 ( -3.593 3.838 -1.811) 5.560 12.883 ( -0.267 0.984 -1.557) 1.861 13.138 ( 0.958 2.032 4.711) 5.219 13.260 ( -4.684 3.497 0.282) 5.852 13.528 ( -1.293 -1.241 -0.803) 1.964 13.585 ( 1.176 -1.282 0.973) 1.993 13.756 ( 0.732 -1.189 5.099) 5.287 14.052 ( 0.868 3.587 1.376) 3.939 14.367 ( 2.213 -3.313 0.200) 3.989 14.527 ( 2.278 -4.217 0.488) 4.818 14.838 ( -3.638 -0.477 1.481) 3.957 15.037 ( 16.643 -5.602 2.856) 17.791 15.138 ( -1.821 -3.156 -2.712) 4.542 15.330 ( 9.027 -0.946 -2.531) 9.423 15.366 ( 23.102 4.157 -4.030) 23.817 15.584 ( 7.808 -2.101 0.927) 8.139 16.511 ( -3.345 0.651 1.789) 3.849 16.681 ( 1.031 -0.411 0.058) 1.112 16.742 ( -2.452 -3.176 -6.386) 7.542 16.781 ( 2.103 -1.230 1.449) 2.835 16.969 ( 1.130 -0.752 -1.626) 2.118 16.985 ( 1.274 0.496 1.476) 2.012 17.121 ( -4.363 -0.106 3.851) 5.820 17.226 ( -2.855 0.616 1.659) 3.359 19.613 ( 1.715 -0.705 1.539) 2.409 19.782 ( 5.211 -1.080 -3.612) 6.431 21.400 ( -3.038 4.380 1.152) 5.454 21.506 ( -1.147 2.647 -1.676) 3.336 22.971 ( -6.805 -0.216 2.633) 7.300 23.170 ( -2.074 -2.606 -5.243) 6.211 27.739 ( -2.723 -0.894 5.171) 5.912 28.129 ( 3.061 7.586 2.073) 8.439 29.413 ( 2.714 -2.878 1.869) 4.375 29.497 ( 1.791 1.992 2.157) 3.439 29.737 ( -0.675 3.072 -0.001) 3.146 29.868 ( 2.149 1.006 -2.203) 3.238 30.812 ( 0.345 -2.815 1.468) 3.193 31.001 ( 2.640 0.641 -2.102) 3.435 31.375 ( -4.682 -6.959 2.486) 8.748 31.493 ( -3.271 -11.059 -2.046) 11.713 31.676 ( -0.542 4.102 1.055) 4.270 31.802 ( 0.330 1.978 -3.544) 4.072 32.122 ( -6.758 -1.733 -3.432) 7.775 32.130 ( -2.824 -1.367 0.797) 3.237 32.243 ( 1.590 -1.679 -1.319) 2.662 32.262 ( 4.688 -5.146 0.670) 6.993 32.431 ( 5.407 -2.499 0.374) 5.968 32.871 ( 15.415 -2.729 -16.787) 22.953 34.367 ( -0.827 -2.961 5.038) 5.902 34.538 ( -2.198 -8.058 -5.626) 10.071 35.028 ( -12.449 8.485 13.875) 20.481 35.507 ( 9.651 3.402 4.756) 11.284 35.677 ( -0.712 3.131 1.136) 3.406 35.899 ( 2.701 -3.954 1.581) 5.043 36.776 ( -15.848 25.046 2.574) 29.750 37.418 ( 6.528 14.939 -1.093) 16.340 ======================= Grid point 86 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 4.121 -10.124 18.916) 21.847 1.788 ( 16.469 -10.889 8.831) 21.629 1.894 ( 6.560 -3.955 6.380) 9.969 1.970 ( 6.326 -11.618 -3.022) 13.570 2.392 ( 1.595 -12.356 -7.172) 14.375 2.551 ( -6.769 2.258 -6.109) 9.394 2.761 ( -4.325 -2.061 3.858) 6.152 3.007 ( 3.144 1.151 4.454) 5.572 3.157 ( -0.807 0.878 2.591) 2.853 3.264 ( 1.524 -2.785 5.001) 5.924 3.435 ( 2.180 -0.319 -0.021) 2.204 3.593 ( 3.413 -1.969 2.226) 4.526 3.634 ( -1.315 0.898 -8.877) 9.019 3.765 ( 9.524 0.417 -6.052) 11.292 3.800 ( -4.736 -1.043 0.755) 4.908 4.023 ( 0.133 -2.045 -3.821) 4.336 4.103 ( 7.275 -9.536 -1.394) 12.074 4.141 ( 4.147 -4.159 3.487) 6.830 4.227 ( 2.557 0.917 -2.059) 3.409 4.345 ( 0.799 -3.305 -1.699) 3.801 4.509 ( -0.594 -2.848 2.260) 3.684 4.542 ( 2.466 -2.927 2.940) 4.826 4.737 ( 0.173 1.811 -4.986) 5.308 4.802 ( 0.687 -7.691 -0.840) 7.767 4.835 ( -0.812 -1.308 -3.268) 3.612 4.940 ( -1.323 4.084 7.013) 8.223 5.100 ( -3.885 6.149 -2.903) 7.832 5.227 ( 1.451 -0.489 -1.784) 2.351 5.477 ( -1.127 1.430 -2.679) 3.240 5.684 ( -12.332 3.415 -1.687) 12.907 5.840 ( 0.214 2.472 -3.034) 3.919 5.963 ( -2.842 0.599 -3.614) 4.637 5.995 ( -4.262 4.288 0.972) 6.123 6.459 ( -0.922 1.217 -0.796) 1.722 7.246 ( -3.478 -2.910 -3.886) 5.972 7.381 ( 0.449 0.342 0.056) 0.567 7.534 ( 0.739 -0.153 3.151) 3.241 7.685 ( 1.151 -0.703 -3.386) 3.645 7.841 ( -3.984 5.901 3.181) 7.798 8.056 ( -2.756 4.534 1.328) 5.469 8.320 ( -6.337 -3.019 11.520) 13.490 8.448 ( -5.505 -4.263 2.272) 7.324 8.596 ( -0.685 8.597 -0.677) 8.651 8.705 ( 3.805 3.444 -0.728) 5.184 8.868 ( 3.668 0.513 1.354) 3.944 8.888 ( 6.994 2.525 -1.026) 7.506 9.240 ( -4.716 5.121 1.118) 7.051 9.400 ( -2.971 5.455 -1.328) 6.352 9.842 ( -6.261 2.681 -0.749) 6.852 10.041 ( -5.842 -1.144 0.849) 6.013 10.096 ( -0.184 1.870 -0.938) 2.100 10.425 ( 2.755 0.372 -0.778) 2.887 10.778 ( 1.521 -1.299 -1.253) 2.360 10.877 ( -3.634 -1.157 2.702) 4.674 11.141 ( 7.206 -1.243 -3.592) 8.147 11.320 ( 7.725 -4.447 2.670) 9.305 11.859 ( -4.113 2.874 -1.814) 5.335 11.874 ( -1.913 2.476 1.349) 3.407 12.610 ( -1.796 2.413 -2.004) 3.615 12.839 ( -2.534 2.423 -0.394) 3.528 13.124 ( 1.038 2.072 2.023) 3.077 13.178 ( -1.364 1.991 -2.166) 3.243 13.554 ( 0.636 -2.025 -0.381) 2.157 13.622 ( 1.316 -1.263 2.003) 2.709 13.781 ( -2.212 -0.278 6.984) 7.331 13.996 ( -0.761 2.854 0.847) 3.073 14.441 ( 2.332 -2.737 0.220) 3.602 14.572 ( -0.047 -0.879 0.201) 0.903 14.807 ( -4.056 0.051 1.589) 4.356 15.122 ( 0.185 -0.412 -3.318) 3.349 15.343 ( 14.797 -6.275 2.185) 16.220 15.418 ( 5.645 -2.290 -3.063) 6.819 15.501 ( 14.316 0.997 -1.621) 14.442 15.691 ( 6.149 -2.255 1.615) 6.745 16.498 ( -2.496 -1.459 3.446) 4.498 16.671 ( -0.673 1.781 0.832) 2.078 16.742 ( -1.916 -1.505 -5.398) 5.923 16.856 ( 3.842 -3.047 0.215) 4.908 16.984 ( 0.719 -0.389 -3.144) 3.249 16.994 ( 1.774 -0.138 0.898) 1.993 17.112 ( -1.676 -0.592 1.976) 2.658 17.190 ( -2.997 0.482 0.574) 3.090 19.650 ( 1.739 -1.027 1.870) 2.753 19.837 ( 4.733 -0.944 -3.536) 5.983 21.293 ( -3.583 4.657 1.770) 6.136 21.439 ( -1.841 2.729 -2.112) 3.911 22.931 ( -4.789 -0.528 4.004) 6.265 23.175 ( -1.240 -1.814 -5.383) 5.814 27.762 ( -0.414 -1.867 2.814) 3.402 28.021 ( 0.448 7.158 0.396) 7.183 29.480 ( 1.211 0.008 4.273) 4.441 29.523 ( 2.092 -3.651 -3.541) 5.499 29.671 ( -1.016 2.817 0.304) 3.009 29.880 ( 2.865 0.481 -0.283) 2.919 30.869 ( 0.647 -2.873 0.812) 3.055 31.014 ( 1.645 0.293 -0.423) 1.724 31.429 ( -5.390 -5.394 2.174) 7.929 31.569 ( -0.005 5.682 3.023) 6.436 31.639 ( -3.026 -7.480 -2.188) 8.361 31.780 ( 2.114 1.281 -1.652) 2.973 32.061 ( -6.770 -0.442 -4.039) 7.896 32.123 ( -1.440 0.349 2.437) 2.852 32.302 ( 2.489 -3.227 -1.637) 4.392 32.373 ( 2.775 -3.513 -1.221) 4.641 32.517 ( 5.327 -0.908 1.949) 5.744 32.961 ( 8.067 -0.543 -11.322) 13.912 34.436 ( -1.356 -4.179 6.674) 7.991 34.640 ( -1.844 -7.572 -4.945) 9.229 34.849 ( -7.081 5.418 10.632) 13.876 35.535 ( 8.872 5.395 1.499) 10.491 35.637 ( 2.218 2.866 0.942) 3.744 35.991 ( -3.321 -5.204 3.290) 6.996 36.271 ( -9.278 18.709 -5.750) 21.661 37.265 ( 4.940 9.827 -0.514) 11.011 ======================= Grid point 87 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 1.327 -3.097 13.452) 13.867 1.957 ( 4.676 3.031 11.691) 12.951 2.089 ( 4.065 -7.420 1.446) 8.583 2.143 ( 2.158 -6.586 -0.084) 6.931 2.452 ( -0.919 0.173 -7.630) 7.687 2.522 ( -2.690 -5.940 -9.827) 11.793 2.710 ( -6.822 3.019 10.465) 12.851 3.053 ( 3.362 -0.419 1.933) 3.901 3.181 ( -1.485 -4.085 3.551) 5.613 3.373 ( 1.103 -4.972 0.921) 5.175 3.379 ( -1.535 6.935 -1.049) 7.180 3.538 ( -2.248 1.334 -2.837) 3.858 3.664 ( -0.750 4.735 -0.442) 4.815 3.718 ( -0.714 0.028 2.799) 2.889 3.794 ( 3.735 0.366 -4.385) 5.771 4.058 ( 1.570 -2.732 -8.306) 8.884 4.219 ( 3.389 -3.179 1.226) 4.806 4.294 ( 4.278 -3.355 -1.658) 5.684 4.363 ( 7.059 -3.457 2.564) 8.268 4.446 ( 4.844 -5.443 1.449) 7.429 4.516 ( -2.696 2.106 5.703) 6.650 4.624 ( 2.934 -0.672 1.789) 3.502 4.701 ( 0.086 -0.519 -7.447) 7.466 4.798 ( -1.182 -0.730 -5.074) 5.261 4.838 ( -3.027 2.117 3.597) 5.156 4.974 ( 1.596 -7.711 0.383) 7.884 4.993 ( 0.595 3.026 0.604) 3.142 5.187 ( -5.466 5.739 0.091) 7.926 5.428 ( -0.159 2.244 -5.217) 5.681 5.526 ( -8.722 -0.198 -2.104) 8.974 5.816 ( 1.544 1.063 1.280) 2.270 5.873 ( -0.214 2.662 -5.428) 6.050 5.994 ( -0.053 -1.320 1.640) 2.106 6.428 ( -0.249 1.220 -0.248) 1.270 7.245 ( -1.225 -0.938 -4.286) 4.555 7.423 ( 1.432 -3.555 0.204) 3.837 7.543 ( 1.004 1.376 0.492) 1.773 7.679 ( -3.430 -0.377 0.866) 3.557 7.750 ( 1.150 2.390 -1.395) 2.997 7.964 ( -2.915 2.850 3.273) 5.228 8.384 ( -2.593 -5.643 5.750) 8.464 8.439 ( -0.620 8.313 2.794) 8.792 8.482 ( -2.614 -1.741 1.255) 3.382 8.693 ( 2.362 0.533 -3.314) 4.104 8.896 ( 3.278 0.445 1.259) 3.539 8.904 ( 1.886 1.620 1.564) 2.937 9.150 ( -0.976 1.614 -0.172) 1.894 9.286 ( -2.782 3.982 0.504) 4.883 9.768 ( -2.210 0.901 -0.415) 2.422 10.025 ( -4.327 -2.889 -0.246) 5.209 10.050 ( 0.217 2.603 -1.194) 2.872 10.430 ( 1.863 1.064 -0.552) 2.215 10.821 ( 1.647 -1.758 0.232) 2.420 10.862 ( -2.540 0.394 1.919) 3.207 11.193 ( 3.083 -0.128 -2.761) 4.140 11.428 ( 2.535 -1.584 1.623) 3.401 11.795 ( -2.345 0.510 -1.783) 2.990 11.850 ( 0.857 0.541 1.147) 1.531 12.575 ( 0.547 0.262 -2.438) 2.512 12.771 ( -2.417 2.173 0.832) 3.354 13.100 ( -0.652 0.919 0.070) 1.129 13.161 ( 2.374 0.223 -3.251) 4.032 13.590 ( 0.807 -1.202 0.036) 1.449 13.660 ( 0.748 -1.203 2.298) 2.700 13.759 ( -4.557 1.125 8.066) 9.332 13.963 ( 0.139 1.225 1.092) 1.647 14.490 ( 0.588 -1.045 0.248) 1.224 14.582 ( 0.365 -0.761 -0.362) 0.918 14.778 ( -3.680 -0.545 2.866) 4.696 15.118 ( 2.588 0.933 -6.283) 6.859 15.470 ( 3.081 -0.092 -0.096) 3.083 15.519 ( 4.597 -2.858 -0.649) 5.452 15.579 ( 4.219 -0.170 -0.909) 4.319 15.770 ( 2.291 -0.943 2.110) 3.255 16.506 ( -2.483 0.086 2.548) 3.559 16.646 ( 0.865 0.566 3.228) 3.390 16.725 ( -0.516 0.305 -4.958) 4.994 16.934 ( 2.059 -2.341 0.949) 3.259 16.972 ( -0.976 0.260 -2.542) 2.735 17.030 ( 3.088 -0.601 -1.460) 3.468 17.117 ( -0.125 -0.924 0.633) 1.128 17.162 ( -2.257 0.101 0.229) 2.271 19.682 ( 0.503 -0.477 2.072) 2.185 19.875 ( 2.483 -0.470 -3.426) 4.258 21.213 ( -1.559 2.158 2.369) 3.563 21.383 ( -1.134 1.096 -2.531) 2.982 22.918 ( -2.231 -0.337 4.711) 5.224 23.178 ( 0.392 -0.816 -5.380) 5.456 27.803 ( -0.042 -2.412 1.668) 2.933 27.922 ( -0.280 4.503 -0.184) 4.516 29.465 ( -1.695 1.583 -0.624) 2.402 29.587 ( 1.583 -1.910 -2.139) 3.276 29.655 ( 0.861 -0.367 3.212) 3.346 29.895 ( 1.376 0.238 0.172) 1.407 30.916 ( -0.067 -2.004 0.355) 2.036 31.012 ( 0.612 1.219 0.389) 1.418 31.466 ( 1.095 6.420 0.674) 6.547 31.474 ( -4.274 -4.624 1.586) 6.493 31.725 ( -1.885 -5.146 0.631) 5.517 31.789 ( 2.674 -0.023 -0.175) 2.680 31.997 ( -4.561 -0.003 -3.858) 5.974 32.115 ( 1.321 0.965 2.157) 2.707 32.369 ( 1.540 -2.605 -1.409) 3.338 32.419 ( 0.997 -0.502 -1.899) 2.203 32.558 ( 2.052 1.029 1.502) 2.743 33.001 ( 3.462 -1.374 -7.317) 8.211 34.500 ( -2.627 -2.626 7.321) 8.209 34.643 ( -3.186 3.051 4.425) 6.248 34.854 ( 0.564 -6.129 1.475) 6.329 35.479 ( 3.438 8.280 -5.214) 10.372 35.624 ( 2.254 1.790 0.850) 3.002 35.903 ( -10.045 1.871 -1.344) 10.306 36.123 ( 4.384 0.466 -0.178) 4.412 37.185 ( 1.784 3.459 -0.348) 3.908 ======================= Grid point 88 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -6.966 6.745 14.690) 17.602 1.918 ( -6.244 5.358 9.465) 12.542 2.099 ( -0.775 4.926 0.784) 5.048 2.222 ( -3.502 1.783 1.032) 4.063 2.442 ( 0.979 -0.593 -10.765) 10.826 2.568 ( -0.005 -7.170 -6.545) 9.708 2.712 ( 1.023 -5.861 12.725) 14.047 3.078 ( -2.382 10.826 0.561) 11.099 3.130 ( 0.757 3.697 3.780) 5.341 3.247 ( -1.456 0.588 1.199) 1.975 3.311 ( -7.190 8.002 -7.384) 13.048 3.545 ( -1.122 4.041 3.596) 5.524 3.634 ( 3.833 -7.005 2.862) 8.482 3.744 ( 1.182 0.061 -5.378) 5.507 3.853 ( 3.746 -3.893 -4.095) 6.779 4.103 ( 1.033 -2.000 -2.288) 3.209 4.201 ( -7.838 5.128 2.582) 9.716 4.304 ( -0.687 -2.530 -3.465) 4.345 4.409 ( -0.262 2.869 0.472) 2.920 4.452 ( -1.333 2.597 1.848) 3.455 4.546 ( -1.897 3.873 2.426) 4.948 4.617 ( -0.096 -2.580 3.160) 4.080 4.706 ( 1.352 1.698 -0.827) 2.323 4.778 ( -0.809 1.767 -5.261) 5.608 4.860 ( 5.009 1.001 0.142) 5.110 4.951 ( -2.865 -5.664 -0.514) 6.368 5.030 ( 0.331 5.207 -1.056) 5.324 5.202 ( 8.689 -7.630 -0.147) 11.565 5.381 ( 2.636 2.727 -2.045) 4.309 5.494 ( -2.278 -2.352 -3.400) 4.720 5.786 ( -1.578 2.799 -1.242) 3.445 5.894 ( 4.348 -3.359 -0.203) 5.498 6.039 ( 1.901 -3.677 -1.708) 4.478 6.425 ( 1.419 -0.254 -0.182) 1.453 7.235 ( 0.413 0.047 -4.064) 4.085 7.454 ( -1.736 1.793 1.735) 3.040 7.546 ( 5.899 -0.860 -1.731) 6.208 7.697 ( -2.137 -3.367 0.295) 3.999 7.728 ( -0.141 0.749 -0.335) 0.833 7.965 ( 1.081 -3.370 1.964) 4.048 8.310 ( -0.864 7.074 7.190) 10.123 8.464 ( -0.962 -3.915 0.761) 4.103 8.485 ( 0.652 0.846 2.632) 2.840 8.708 ( -1.853 -2.577 -2.200) 3.862 8.867 ( -2.299 1.895 0.868) 3.103 8.915 ( -0.853 0.200 1.735) 1.944 9.165 ( 0.131 -3.312 -0.383) 3.337 9.271 ( 4.484 -1.935 0.529) 4.912 9.768 ( 2.418 -0.647 -0.535) 2.560 10.027 ( 1.582 0.522 -0.838) 1.865 10.057 ( -1.166 -4.216 -0.483) 4.401 10.428 ( 0.946 0.688 -0.652) 1.338 10.819 ( -0.965 2.729 0.352) 2.916 10.859 ( -0.248 -1.156 1.885) 2.225 11.182 ( -1.437 1.601 -2.709) 3.460 11.433 ( -3.333 0.802 1.567) 3.769 11.783 ( -0.020 -1.068 -1.351) 1.722 11.866 ( 1.831 -0.457 0.696) 2.011 12.595 ( 2.655 -1.604 -2.913) 4.256 12.749 ( 0.771 -0.339 1.345) 1.587 13.087 ( -0.773 -0.013 -0.291) 0.826 13.186 ( 2.445 -1.500 -3.492) 4.520 13.597 ( -0.085 0.954 0.105) 0.964 13.673 ( -1.906 0.618 3.546) 4.074 13.739 ( -2.989 -1.644 7.084) 7.863 13.955 ( 0.740 0.833 1.248) 1.673 14.485 ( -0.622 1.401 0.120) 1.537 14.602 ( -0.296 -1.176 0.006) 1.213 14.781 ( -1.712 -2.013 3.243) 4.183 15.098 ( 2.878 2.632 -6.772) 7.815 15.451 ( -2.310 2.606 -0.181) 3.488 15.559 ( -1.837 -0.686 -0.964) 2.185 15.581 ( -4.836 -0.972 -0.829) 5.002 15.754 ( -4.410 2.411 2.354) 5.550 16.461 ( -1.238 2.832 1.965) 3.663 16.664 ( -0.100 1.262 3.059) 3.310 16.722 ( 3.371 -1.287 -3.828) 5.261 16.924 ( -2.865 1.349 -0.124) 3.169 16.992 ( 0.698 -1.300 -0.911) 1.733 17.046 ( 0.896 0.036 -2.708) 2.853 17.143 ( 1.261 0.464 0.975) 1.660 17.151 ( -0.645 -1.877 0.210) 1.996 19.680 ( -1.527 0.776 2.048) 2.669 19.874 ( -0.619 0.519 -3.406) 3.500 21.220 ( 1.851 -1.987 2.596) 3.757 21.376 ( 0.612 -1.494 -2.755) 3.193 22.923 ( 0.301 0.222 4.779) 4.794 23.179 ( 2.265 0.286 -5.474) 5.930 27.837 ( -1.469 -1.178 3.150) 3.670 27.884 ( 0.964 -0.603 -1.643) 1.998 29.410 ( -2.114 2.405 -0.291) 3.216 29.600 ( 0.794 0.702 -2.001) 2.264 29.691 ( 0.175 -1.736 2.831) 3.326 29.896 ( -1.220 -0.178 0.081) 1.235 30.934 ( -1.115 -0.771 0.431) 1.422 30.988 ( 0.012 2.034 0.274) 2.053 31.389 ( 3.346 5.507 0.982) 6.518 31.507 ( -3.231 -2.828 0.682) 4.347 31.776 ( 0.780 -1.566 1.656) 2.409 31.827 ( 0.507 -2.464 0.294) 2.533 31.964 ( -0.523 -0.270 -3.596) 3.644 32.135 ( 4.792 0.755 1.427) 5.057 32.396 ( -0.741 0.334 -0.647) 1.038 32.403 ( 0.962 1.901 -2.932) 3.624 32.533 ( -2.710 1.728 1.190) 3.427 33.030 ( -0.376 -2.474 -7.546) 7.950 34.472 ( -3.630 3.806 5.092) 7.320 34.634 ( 0.457 -1.552 7.542) 7.714 34.927 ( 2.509 2.488 3.419) 4.917 35.362 ( -3.519 0.220 -7.634) 8.409 35.628 ( -2.007 -1.884 0.740) 2.851 35.898 ( 4.920 -2.804 -1.113) 5.772 36.153 ( 0.713 -1.294 -0.287) 1.505 37.185 ( -1.472 -3.461 -0.348) 3.777 ======================= Grid point 89 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -11.638 15.060 19.162) 27.008 1.651 ( -23.813 11.358 3.834) 26.660 1.983 ( -4.613 9.571 8.988) 13.916 2.102 ( 0.906 7.824 0.595) 7.899 2.390 ( -3.879 2.397 -9.912) 10.911 2.712 ( 3.838 2.673 1.182) 4.824 2.756 ( -4.779 6.905 -3.495) 9.096 2.900 ( -0.768 -4.163 8.581) 9.569 3.078 ( -1.957 -0.121 -5.871) 6.190 3.179 ( -2.982 -0.963 3.438) 4.652 3.235 ( 0.420 1.868 2.555) 3.193 3.524 ( 4.057 2.448 2.995) 5.606 3.698 ( 3.064 2.574 -6.377) 7.528 3.722 ( -4.398 -1.006 -2.938) 5.384 3.890 ( -3.783 -0.508 -4.434) 5.851 4.025 ( -5.974 3.754 1.427) 7.198 4.122 ( -2.002 4.317 0.873) 4.838 4.284 ( -0.767 3.277 0.072) 3.367 4.357 ( 0.178 7.040 -0.098) 7.043 4.385 ( 0.954 -2.901 -5.422) 6.223 4.485 ( -3.656 4.347 2.610) 6.251 4.526 ( -4.610 3.951 3.965) 7.251 4.707 ( -2.980 -0.071 2.098) 3.645 4.762 ( 3.208 -1.751 -4.370) 5.696 4.875 ( 6.749 2.892 -2.098) 7.636 4.998 ( 2.863 -0.751 0.489) 3.000 5.121 ( -1.901 -10.642 -2.979) 11.214 5.224 ( 1.392 7.375 -0.191) 7.508 5.383 ( -2.001 -1.392 -2.902) 3.790 5.609 ( 14.302 -3.717 -2.469) 14.982 5.757 ( 1.860 -1.027 1.976) 2.902 6.011 ( 5.619 -4.296 -0.935) 7.134 6.140 ( 4.766 -5.394 -6.321) 9.579 6.452 ( 1.768 -0.979 -0.749) 2.155 7.235 ( 1.220 -0.700 -4.274) 4.500 7.425 ( -0.001 0.980 5.096) 5.189 7.588 ( 1.213 -0.432 -7.055) 7.172 7.700 ( -3.049 -0.257 -1.668) 3.485 7.763 ( 4.318 -2.100 5.341) 7.182 8.081 ( 4.179 -5.867 1.867) 7.441 8.252 ( -0.121 2.069 12.355) 12.528 8.454 ( 4.027 4.714 3.686) 7.213 8.532 ( -2.334 -4.959 -0.879) 5.550 8.721 ( -4.622 -2.686 1.348) 5.514 8.823 ( -3.316 -0.129 -0.377) 3.340 8.894 ( -1.997 0.173 -1.194) 2.333 9.256 ( 1.683 -6.013 1.139) 6.347 9.401 ( 6.712 -6.003 -1.261) 9.093 9.820 ( 5.557 -1.056 -1.059) 5.754 10.053 ( 2.055 -1.222 0.406) 2.425 10.133 ( 1.470 -4.340 -0.125) 4.584 10.415 ( -0.798 0.996 -1.095) 1.681 10.767 ( 1.117 2.849 -1.314) 3.331 10.867 ( -0.953 0.394 3.047) 3.216 11.097 ( -5.308 3.578 -2.928) 7.039 11.356 ( -7.951 2.410 1.897) 8.522 11.826 ( 2.889 -2.861 -0.608) 4.111 11.910 ( 3.102 -2.051 0.100) 3.720 12.658 ( 4.137 -2.950 -2.881) 5.841 12.794 ( 2.275 -2.335 0.663) 3.326 13.080 ( -1.400 -0.287 0.762) 1.619 13.233 ( 1.698 -2.664 -2.211) 3.856 13.566 ( -0.201 2.003 -0.199) 2.022 13.639 ( -2.441 1.676 3.345) 4.467 13.793 ( -2.463 -5.004 7.179) 9.091 13.953 ( 1.677 1.121 0.124) 2.021 14.440 ( -1.413 2.824 0.101) 3.159 14.604 ( -1.064 0.384 0.686) 1.323 14.827 ( 0.308 -2.855 3.146) 4.260 15.037 ( -0.912 4.218 -4.716) 6.393 15.353 ( -6.964 3.412 0.075) 7.755 15.487 ( -9.925 1.472 -1.277) 10.115 15.532 ( -10.566 -1.723 -2.745) 11.052 15.640 ( -8.245 3.918 2.721) 9.525 16.430 ( 1.501 1.267 2.057) 2.844 16.639 ( 1.464 1.944 -1.153) 2.693 16.772 ( 2.936 -0.799 -0.394) 3.069 16.870 ( -2.300 1.760 0.327) 2.915 16.987 ( -2.242 0.074 -3.129) 3.850 17.033 ( -0.556 1.168 -1.356) 1.874 17.158 ( 1.835 -1.016 0.544) 2.167 17.185 ( 0.249 -1.302 2.411) 2.751 19.647 ( -2.531 1.282 1.830) 3.376 19.831 ( -2.754 1.178 -3.533) 4.632 21.312 ( 3.391 -4.545 2.390) 6.154 21.422 ( 1.879 -3.257 -2.731) 4.647 22.945 ( 3.012 0.453 4.164) 5.159 23.180 ( 3.878 1.291 -5.682) 6.999 27.857 ( -2.519 -3.101 5.770) 7.018 27.929 ( 1.093 -3.451 -2.388) 4.337 29.343 ( -2.540 3.394 1.355) 4.451 29.581 ( 0.141 1.099 -1.614) 1.958 29.719 ( -1.641 -1.436 1.724) 2.779 29.882 ( -1.940 -0.432 -0.726) 2.116 30.921 ( -2.800 1.045 2.705) 4.031 30.957 ( 0.771 1.198 -2.395) 2.787 31.344 ( 4.655 5.293 0.886) 7.104 31.515 ( -2.587 -1.633 1.591) 3.449 31.807 ( 2.623 0.377 1.036) 2.846 31.876 ( -0.388 -3.301 0.003) 3.323 31.973 ( 3.431 -0.104 -2.965) 4.536 32.179 ( 5.229 0.528 0.885) 5.330 32.334 ( 0.120 4.757 -2.074) 5.191 32.369 ( 1.488 3.860 -1.800) 4.512 32.471 ( -7.371 0.223 1.223) 7.475 33.012 ( -4.808 -1.071 -13.288) 14.171 34.387 ( -1.998 4.027 3.304) 5.578 34.686 ( 4.215 2.744 4.242) 6.580 34.876 ( 0.249 2.283 9.384) 9.660 35.367 ( -4.052 -4.617 -0.531) 6.166 35.646 ( -3.944 -3.171 0.845) 5.131 35.979 ( -4.348 -2.735 2.654) 5.782 36.251 ( 13.693 -6.372 -5.364) 16.027 37.269 ( -4.180 -10.023 -0.503) 10.871 ======================= Grid point 90 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -26.272 15.995 7.153) 31.579 1.282 ( -15.360 18.483 17.797) 29.905 1.720 ( -15.040 15.297 21.748) 30.548 1.966 ( -1.695 8.872 0.030) 9.033 2.175 ( -6.153 13.758 -9.493) 17.811 2.526 ( -1.923 2.986 -2.302) 4.232 2.792 ( -10.875 2.993 3.811) 11.905 2.864 ( 0.505 -5.822 -3.098) 6.614 3.194 ( -1.741 -0.458 3.335) 3.790 3.222 ( 2.782 0.525 6.214) 6.829 3.242 ( 4.910 -8.017 0.473) 9.413 3.496 ( 1.459 5.080 1.225) 5.426 3.640 ( -1.003 2.865 -7.480) 8.072 3.680 ( -1.377 -0.391 -5.857) 6.029 3.824 ( -3.992 3.395 -0.694) 5.286 3.910 ( -0.819 4.357 -3.454) 5.620 4.022 ( -0.124 4.667 -1.969) 5.067 4.193 ( -1.559 4.619 -2.226) 5.359 4.260 ( -1.348 4.467 0.545) 4.698 4.360 ( -3.785 1.810 -0.120) 4.197 4.463 ( 0.327 -4.332 0.674) 4.397 4.508 ( 3.567 1.610 -0.602) 3.960 4.663 ( -0.569 2.459 1.724) 3.057 4.833 ( 0.292 2.347 -2.047) 3.129 4.857 ( 3.753 -1.644 -2.792) 4.958 5.001 ( -3.271 5.446 -8.302) 10.453 5.122 ( 1.461 1.091 6.375) 6.631 5.225 ( -2.499 -5.564 1.756) 6.347 5.399 ( 0.419 -2.340 -5.055) 5.586 5.782 ( 10.340 -3.927 0.788) 11.088 5.869 ( 9.150 -3.439 1.531) 9.894 6.075 ( 2.305 1.015 -11.871) 12.135 6.252 ( 7.808 -1.845 -2.991) 8.563 6.487 ( 2.892 -1.380 -2.482) 4.053 7.260 ( 1.797 -1.961 -3.613) 4.487 7.449 ( -0.015 -1.548 7.115) 7.281 7.551 ( -3.139 1.154 -6.947) 7.710 7.680 ( -1.016 -1.367 -1.463) 2.245 7.872 ( 4.590 -3.107 7.258) 9.133 8.220 ( 5.176 -3.871 3.221) 7.221 8.308 ( 3.656 -2.470 12.851) 13.588 8.437 ( 3.965 3.192 7.468) 9.038 8.598 ( -1.761 -5.682 0.561) 5.975 8.718 ( -3.099 -0.718 4.408) 5.436 8.816 ( -3.492 -3.158 -0.848) 4.784 8.865 ( 0.172 1.885 -3.162) 3.685 9.387 ( 2.100 -6.930 1.350) 7.366 9.553 ( 5.050 -5.591 -3.195) 8.184 9.894 ( 6.679 -1.084 -0.915) 6.828 10.091 ( 1.378 -0.883 0.558) 1.730 10.204 ( 0.800 -1.644 2.112) 2.793 10.374 ( -1.361 1.329 -2.905) 3.473 10.754 ( 4.536 1.245 -2.539) 5.345 10.849 ( -0.117 2.061 3.562) 4.117 10.964 ( -7.630 3.655 -2.316) 8.772 11.226 ( -10.383 2.956 1.320) 10.876 11.923 ( 4.869 -4.002 0.346) 6.313 11.990 ( 4.141 -3.271 -0.144) 5.279 12.746 ( 4.400 -3.427 -2.620) 6.162 12.855 ( 1.605 -2.612 -1.102) 3.258 13.085 ( -0.652 -1.097 4.373) 4.556 13.286 ( 1.029 -2.389 -0.140) 2.605 13.542 ( 0.866 0.967 -0.827) 1.539 13.597 ( -1.452 1.810 1.583) 2.809 13.889 ( -5.084 -8.132 6.835) 11.777 13.948 ( 2.526 1.579 -0.240) 2.988 14.369 ( -1.937 3.874 0.123) 4.333 14.571 ( 0.146 3.392 0.976) 3.533 14.878 ( -0.828 -1.417 2.442) 2.943 14.923 ( -7.156 3.120 0.408) 7.817 15.208 ( -16.348 1.011 -2.129) 16.517 15.348 ( -13.696 0.080 -2.083) 13.853 15.431 ( -6.810 0.971 -5.767) 8.976 15.513 ( -11.059 1.566 2.612) 11.471 16.465 ( 3.805 -1.867 1.034) 4.363 16.627 ( 2.410 1.404 -1.567) 3.199 16.771 ( -1.533 1.679 -0.101) 2.276 16.854 ( 2.327 0.346 1.133) 2.611 16.940 ( -3.186 0.963 -4.588) 5.668 16.994 ( -1.351 1.831 -0.086) 2.277 17.201 ( 2.988 0.140 -0.283) 3.005 17.225 ( -2.275 -4.945 6.485) 8.466 19.610 ( -2.503 0.666 1.610) 3.050 19.774 ( -2.686 1.206 -3.822) 4.825 21.422 ( 2.114 -4.354 1.780) 5.157 21.491 ( 1.944 -3.274 -2.378) 4.489 22.990 ( 5.493 0.325 2.521) 6.052 23.175 ( 4.622 2.194 -5.713) 7.669 27.938 ( -1.776 -7.096 4.949) 8.832 28.005 ( -3.170 -7.731 2.838) 8.825 29.262 ( -2.098 3.926 2.858) 5.290 29.555 ( -2.461 0.886 0.352) 2.639 29.720 ( -1.496 -0.514 1.187) 1.978 29.882 ( -0.396 -1.600 -2.321) 2.847 30.867 ( -3.908 2.046 3.558) 5.667 30.954 ( 1.469 -0.471 -4.289) 4.559 31.291 ( 4.051 6.544 -0.067) 7.696 31.540 ( -0.866 -2.569 3.808) 4.674 31.810 ( 3.406 2.891 -2.040) 4.911 31.926 ( -1.130 -3.602 -1.479) 4.054 32.007 ( 6.998 1.366 -1.100) 7.215 32.200 ( -2.037 0.265 0.782) 2.198 32.249 ( 7.281 7.464 -3.729) 11.074 32.308 ( 3.240 5.372 0.077) 6.274 32.389 ( -9.937 -0.045 -1.470) 10.046 32.857 ( -11.242 6.252 -23.049) 26.396 34.330 ( -0.445 2.415 2.617) 3.589 34.603 ( 3.195 8.931 -3.199) 10.010 35.021 ( 4.629 -10.486 20.540) 23.522 35.410 ( -2.853 -3.872 6.397) 8.003 35.658 ( -4.574 -2.741 0.373) 5.346 35.930 ( -10.184 -0.310 2.749) 10.553 36.553 ( 19.076 -10.208 1.323) 21.676 37.434 ( -4.256 -14.861 -0.912) 15.485 ======================= Grid point 91 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -22.705 12.900 16.535) 30.909 0.851 ( -12.815 21.608 19.242) 31.644 1.399 ( -19.069 12.743 47.423) 52.678 1.799 ( -6.686 3.472 -12.541) 14.630 1.879 ( -6.247 9.347 -15.179) 18.889 2.504 ( 3.500 1.681 6.269) 7.374 2.679 ( -6.453 0.463 -2.163) 6.822 2.949 ( -1.560 -4.869 1.823) 5.428 3.137 ( -3.091 4.856 6.180) 8.445 3.275 ( 1.018 -1.769 7.315) 7.595 3.353 ( 0.351 0.561 -1.436) 1.581 3.449 ( -1.310 -0.454 4.227) 4.448 3.591 ( -0.063 -1.329 -12.254) 12.326 3.653 ( 2.324 0.691 -9.369) 9.678 3.732 ( -2.315 3.571 -0.666) 4.308 3.840 ( 5.157 4.357 -7.473) 10.071 3.978 ( -0.353 1.341 1.890) 2.344 4.131 ( -3.534 0.954 -5.134) 6.306 4.192 ( 2.676 2.460 -1.408) 3.898 4.338 ( -0.419 -1.780 -2.072) 2.764 4.503 ( -1.935 0.302 4.922) 5.298 4.542 ( 0.803 -3.987 -1.035) 4.196 4.639 ( 1.413 1.452 -1.446) 2.489 4.740 ( -1.825 5.945 0.551) 6.244 4.820 ( 1.635 6.082 -10.322) 12.092 4.910 ( -1.324 -1.576 -4.358) 4.820 5.147 ( -6.174 -1.140 9.063) 11.025 5.291 ( 0.891 -2.236 5.046) 5.591 5.432 ( 4.134 -0.418 -5.141) 6.610 5.850 ( 2.556 13.059 -17.115) 21.679 5.956 ( 3.222 -2.794 2.020) 4.719 6.032 ( 8.183 -0.643 -2.730) 8.650 6.299 ( 1.119 1.134 4.077) 4.377 6.539 ( 4.005 -1.479 -4.233) 6.012 7.307 ( 3.798 -1.255 -1.973) 4.460 7.468 ( -5.367 0.070 -1.871) 5.684 7.522 ( -0.161 -2.973 5.043) 5.856 7.707 ( 0.754 -1.749 -2.660) 3.272 7.989 ( 1.822 -4.490 6.160) 7.838 8.283 ( 0.652 -2.067 -4.440) 4.940 8.457 ( -0.090 -1.446 12.103) 12.189 8.480 ( 6.844 -1.329 7.010) 9.887 8.675 ( -0.219 -2.323 -1.705) 2.890 8.798 ( 13.762 0.064 7.406) 15.628 8.833 ( 1.363 -6.372 5.870) 8.770 8.855 ( -0.993 -4.308 3.907) 5.900 9.518 ( 2.505 -5.020 0.727) 5.657 9.644 ( 2.183 -2.610 -4.610) 5.730 9.970 ( 5.161 -0.936 -0.034) 5.245 10.108 ( 0.955 0.051 -0.640) 1.151 10.196 ( -3.368 1.300 4.181) 5.524 10.355 ( 1.834 0.262 -4.777) 5.124 10.785 ( 5.862 0.656 -3.196) 6.709 10.820 ( 0.751 4.305 0.355) 4.384 10.844 ( -5.659 0.278 2.287) 6.110 11.087 ( -10.377 1.764 0.492) 10.537 12.025 ( 4.010 -2.364 1.061) 4.774 12.084 ( 3.818 -3.070 0.595) 4.935 12.831 ( 3.848 -2.586 -0.725) 4.693 12.902 ( 1.630 -2.098 -3.305) 4.240 13.121 ( 0.573 -0.495 6.762) 6.804 13.338 ( 2.502 -2.457 0.256) 3.516 13.541 ( -1.020 -0.479 1.228) 1.666 13.572 ( 2.242 1.435 -0.036) 2.662 13.918 ( 2.148 1.625 -4.330) 5.099 14.027 ( -14.472 -14.414 7.651) 21.812 14.291 ( -0.145 3.565 0.171) 3.572 14.502 ( 1.552 7.288 -1.237) 7.553 14.770 ( -20.893 3.028 -4.962) 21.687 14.831 ( -4.853 2.194 0.488) 5.348 15.075 ( -17.322 -8.671 1.454) 19.426 15.244 ( -6.692 0.173 -2.488) 7.141 15.357 ( -8.188 0.645 -1.247) 8.307 15.394 ( -2.990 2.465 -1.670) 4.220 16.551 ( 4.655 -2.501 -1.043) 5.386 16.628 ( 1.653 0.196 -1.144) 2.020 16.727 ( -1.590 1.117 0.626) 2.041 16.850 ( -2.969 2.338 1.549) 4.084 16.901 ( 2.083 0.191 -2.382) 3.170 16.963 ( -1.018 0.147 -0.291) 1.069 17.214 ( 1.847 0.877 2.027) 2.879 17.353 ( -5.735 -12.669 4.787) 14.707 19.592 ( -2.486 -0.835 1.895) 3.236 19.719 ( -1.059 2.189 -4.126) 4.790 21.494 ( -0.715 -2.790 0.796) 2.989 21.544 ( 1.459 -1.784 -1.776) 2.909 23.027 ( 4.906 3.024 -0.292) 5.771 23.167 ( 4.023 1.456 -3.912) 5.797 28.044 ( 6.271 -2.654 -3.552) 7.680 28.193 ( -25.949 -26.956 9.469) 38.595 29.238 ( 7.005 -0.052 9.500) 11.804 29.500 ( -4.392 2.032 1.573) 5.089 29.732 ( 0.225 -1.493 1.707) 2.279 29.908 ( 0.547 -1.874 -2.724) 3.351 30.818 ( -5.291 -0.642 4.307) 6.852 30.979 ( 2.755 -2.103 -5.613) 6.597 31.206 ( 2.527 6.968 -1.154) 7.501 31.543 ( 0.924 11.147 -7.368) 13.394 31.753 ( -0.463 2.741 -4.974) 5.698 31.942 ( -3.931 -0.598 -6.454) 7.580 32.064 ( 14.856 4.730 2.261) 15.754 32.102 ( 1.474 9.882 -7.366) 12.414 32.223 ( 1.832 1.798 -0.189) 2.573 32.250 ( -5.162 4.898 -8.208) 10.864 32.262 ( -3.275 2.687 3.163) 5.287 32.477 ( -14.503 10.572 -7.937) 19.624 34.314 ( 0.571 0.509 1.899) 2.048 34.485 ( 0.941 6.021 -2.935) 6.764 35.310 ( 5.825 -6.555 3.945) 9.616 35.558 ( -4.133 -16.474 12.218) 20.923 35.652 ( 1.365 0.185 2.705) 3.036 35.847 ( -7.282 0.155 1.826) 7.509 37.010 ( 24.519 -22.024 24.960) 41.343 37.645 ( -1.530 -12.578 -0.881) 12.701 ======================= Grid point 93 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 7.583 -0.000 23.833) 25.010 1.220 ( 10.488 -0.000 34.374) 35.939 1.543 ( 25.051 -0.000 27.946) 37.531 1.545 ( 14.937 -0.000 -14.776) 21.010 1.741 ( 9.131 -0.000 -9.567) 13.225 2.711 ( 10.931 -0.000 -5.816) 12.382 2.910 ( -3.761 0.000 -3.101) 4.875 2.916 ( 8.376 -0.000 10.127) 13.142 3.101 ( -1.246 0.000 8.497) 8.588 3.213 ( 1.182 -0.000 -10.383) 10.450 3.310 ( 4.674 -0.000 5.338) 7.096 3.514 ( 4.268 -0.000 4.446) 6.163 3.535 ( -1.126 0.000 -18.974) 19.008 3.633 ( -1.891 0.000 7.326) 7.566 3.731 ( 5.519 -0.000 -3.068) 6.315 3.836 ( -3.594 0.000 -6.479) 7.409 3.912 ( 3.948 -0.000 -5.184) 6.516 4.192 ( -5.469 0.000 -4.581) 7.134 4.216 ( 1.602 -0.000 3.157) 3.540 4.303 ( 5.258 -0.000 -5.760) 7.799 4.438 ( -5.065 0.000 5.940) 7.807 4.517 ( 1.585 -0.000 -4.648) 4.911 4.566 ( -6.719 0.000 -2.411) 7.139 4.820 ( 3.892 -0.000 -6.082) 7.221 4.885 ( 5.749 -0.000 -10.809) 12.242 4.900 ( -7.528 0.000 14.414) 16.262 4.998 ( 12.570 -0.000 -14.314) 19.049 5.410 ( -3.539 0.000 2.262) 4.200 5.482 ( 6.157 -0.000 3.905) 7.291 5.710 ( 4.056 -0.000 -4.109) 5.773 5.951 ( -7.592 0.000 0.975) 7.654 6.007 ( -9.347 0.000 -1.356) 9.444 6.212 ( -7.690 0.000 6.187) 9.870 6.472 ( -7.547 0.000 -4.024) 8.552 7.250 ( -8.308 0.000 -4.193) 9.306 7.484 ( 4.195 -0.000 4.096) 5.863 7.585 ( -0.011 0.000 2.581) 2.581 7.698 ( 0.762 -0.000 -0.960) 1.226 7.990 ( -4.714 0.000 7.167) 8.579 8.248 ( -6.039 0.000 -2.886) 6.693 8.373 ( -6.993 0.000 5.312) 8.782 8.423 ( -17.862 0.000 11.220) 21.093 8.710 ( 4.396 -0.000 3.724) 5.761 8.815 ( -1.198 0.000 -4.064) 4.237 8.933 ( 2.652 -0.000 5.154) 5.796 8.938 ( -8.682 0.000 5.252) 10.147 9.497 ( -5.827 0.000 1.237) 5.957 9.624 ( -3.130 0.000 -3.882) 4.987 10.005 ( -6.826 0.000 -3.540) 7.690 10.048 ( 2.509 -0.000 -0.095) 2.511 10.085 ( -5.027 0.000 5.477) 7.434 10.372 ( 3.361 -0.000 -3.088) 4.565 10.767 ( 2.547 -0.000 -1.784) 3.110 10.825 ( -3.108 0.000 -0.677) 3.181 11.030 ( 9.232 -0.000 -3.403) 9.840 11.063 ( 8.961 -0.000 3.970) 9.801 12.050 ( -5.198 0.000 1.377) 5.377 12.051 ( -7.135 0.000 -1.183) 7.232 12.810 ( -0.670 0.000 -2.856) 2.934 12.864 ( -3.189 0.000 -2.538) 4.075 13.144 ( -3.636 0.000 5.536) 6.623 13.326 ( -9.921 0.000 1.746) 10.073 13.521 ( -0.395 0.000 0.431) 0.585 13.564 ( 3.690 -0.000 -0.759) 3.767 13.766 ( 4.825 -0.000 0.698) 4.875 14.208 ( 13.491 -0.000 8.406) 15.896 14.328 ( 7.370 -0.000 -0.613) 7.395 14.352 ( 6.909 -0.000 -2.545) 7.363 14.823 ( -3.508 0.000 0.138) 3.511 14.933 ( 14.643 -0.000 -0.534) 14.653 15.074 ( -6.013 0.000 2.326) 6.447 15.349 ( 9.328 -0.000 -1.334) 9.423 15.540 ( 9.020 -0.000 0.494) 9.034 15.632 ( 39.815 -0.000 -27.099) 48.162 16.529 ( -5.394 0.000 -2.055) 5.772 16.624 ( -4.000 0.000 -2.200) 4.565 16.680 ( -1.563 0.000 3.092) 3.464 16.790 ( 2.597 -0.000 1.502) 3.000 16.965 ( 1.400 -0.000 -0.399) 1.456 16.974 ( 0.628 -0.000 -0.836) 1.045 17.143 ( -11.432 0.000 5.312) 12.606 17.223 ( -3.452 0.000 5.429) 6.434 19.618 ( 3.107 -0.000 1.277) 3.359 19.749 ( 7.185 -0.000 -0.302) 7.191 21.487 ( -1.620 0.000 0.210) 1.633 21.546 ( -2.344 0.000 -1.136) 2.605 22.935 ( -8.153 0.000 3.690) 8.949 23.094 ( -4.568 0.000 -4.941) 6.729 27.729 ( -5.805 0.000 7.427) 9.427 28.291 ( 3.771 -0.000 8.288) 9.106 29.351 ( 2.745 -0.000 -2.983) 4.053 29.716 ( 2.133 -0.000 -0.916) 2.322 29.794 ( 0.800 -0.000 2.489) 2.614 29.880 ( -2.900 0.000 -3.235) 4.345 30.763 ( 2.215 -0.000 0.816) 2.360 31.024 ( -0.010 0.000 1.715) 1.715 31.118 ( 3.583 -0.000 -1.433) 3.859 31.138 ( 0.804 -0.000 -2.042) 2.195 31.804 ( -2.357 0.000 1.354) 2.718 31.831 ( 3.401 -0.000 2.325) 4.120 32.016 ( -1.238 0.000 -1.302) 1.797 32.088 ( -2.739 0.000 -3.233) 4.237 32.204 ( 4.220 -0.000 1.447) 4.461 32.229 ( 1.304 -0.000 0.155) 1.313 32.369 ( 5.625 -0.000 -2.205) 6.042 32.782 ( 23.412 -0.000 -17.658) 29.325 34.332 ( -0.752 0.000 2.025) 2.160 34.375 ( -2.378 0.000 -2.680) 3.583 35.206 ( -16.933 0.000 10.906) 20.141 35.523 ( 2.753 -0.000 7.041) 7.560 35.778 ( -0.669 0.000 -3.351) 3.417 35.809 ( 2.842 -0.000 0.141) 2.845 37.620 ( -18.221 0.000 7.859) 19.844 37.624 ( -8.886 0.000 -5.404) 10.400 ======================= Grid point 94 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 7.617 -17.284 17.697) 25.883 1.418 ( 1.185 -7.350 33.054) 33.882 1.683 ( 21.212 -0.834 -8.373) 22.820 1.844 ( 17.876 -8.022 -13.643) 23.875 1.999 ( 24.887 -3.329 20.450) 32.383 2.732 ( 2.479 7.178 -7.023) 10.344 2.783 ( 3.343 6.042 0.733) 6.944 3.038 ( -1.214 -4.142 3.174) 5.358 3.154 ( -0.597 -4.662 9.841) 10.906 3.223 ( 4.607 1.663 -3.829) 6.217 3.410 ( 4.629 -2.300 0.210) 5.174 3.476 ( 2.753 -3.004 -19.457) 19.879 3.569 ( 4.312 -0.580 4.599) 6.331 3.652 ( -1.749 -2.882 5.584) 6.522 3.788 ( -1.550 -2.377 -3.858) 4.789 3.797 ( 1.569 -0.813 -3.076) 3.548 3.972 ( 2.122 -3.507 -4.350) 5.977 4.131 ( -1.290 0.412 -2.502) 2.845 4.250 ( 3.150 -1.533 0.868) 3.609 4.348 ( 3.190 0.013 -4.666) 5.652 4.396 ( -8.554 1.356 3.494) 9.339 4.502 ( 3.658 -0.653 0.045) 3.716 4.550 ( 0.788 -3.613 -5.978) 7.030 4.805 ( 1.085 0.635 -3.123) 3.367 4.862 ( 6.300 5.319 -3.665) 9.023 4.935 ( -3.410 -4.801 9.467) 11.149 5.053 ( 2.623 -0.165 -8.189) 8.600 5.427 ( -1.018 -0.414 -3.430) 3.602 5.533 ( 3.802 1.236 1.182) 4.169 5.748 ( -1.348 -1.270 -2.535) 3.139 5.825 ( -7.733 1.432 -2.651) 8.299 5.943 ( -7.810 -1.610 -0.670) 8.002 6.117 ( -10.893 2.806 3.353) 11.737 6.409 ( -8.767 -3.372 -2.377) 9.690 7.165 ( -8.226 -1.119 -3.330) 8.944 7.492 ( -0.469 3.922 3.522) 5.292 7.562 ( 1.097 2.110 4.563) 5.145 7.714 ( 4.024 1.100 -2.703) 4.971 7.955 ( -4.243 1.416 8.620) 9.711 8.152 ( -7.703 0.788 2.750) 8.217 8.295 ( -10.613 1.165 5.949) 12.223 8.344 ( -8.230 -1.778 5.061) 9.824 8.755 ( 2.403 -0.686 0.641) 2.580 8.804 ( -4.441 -0.859 -2.272) 5.062 8.880 ( 1.732 3.107 -0.489) 3.591 8.967 ( 6.573 1.870 2.827) 7.395 9.405 ( -6.967 3.799 1.588) 8.093 9.554 ( -3.543 2.915 -3.523) 5.785 9.909 ( -8.953 1.314 -2.862) 9.491 10.045 ( -5.671 0.558 5.208) 7.720 10.083 ( 0.870 -1.505 -0.578) 1.832 10.408 ( 4.417 -0.708 -2.593) 5.171 10.773 ( 1.454 0.519 -1.262) 1.994 10.825 ( -1.530 -1.725 1.079) 2.546 11.113 ( 9.438 -0.548 -3.779) 10.181 11.186 ( 9.723 -2.542 4.276) 10.922 11.958 ( -6.326 2.184 -1.045) 6.774 11.977 ( -6.100 2.454 0.319) 6.583 12.742 ( -0.072 5.028 -3.670) 6.225 12.861 ( -1.457 -1.237 -2.223) 2.932 13.135 ( -4.139 -1.719 4.401) 6.282 13.231 ( -8.394 1.157 0.451) 8.485 13.518 ( 0.671 0.194 -0.758) 1.031 13.597 ( 2.872 -0.261 -0.331) 2.903 13.795 ( 2.519 0.762 3.393) 4.294 14.193 ( 4.075 8.435 2.951) 9.822 14.440 ( 13.313 1.578 -0.673) 13.423 14.499 ( 7.810 -5.173 0.654) 9.391 14.794 ( -3.974 -0.594 1.126) 4.173 15.049 ( -4.147 -2.298 2.433) 5.329 15.139 ( 20.296 -4.073 1.655) 20.766 15.428 ( 10.992 1.623 -1.489) 11.211 15.637 ( 8.791 -0.723 1.214) 8.904 15.744 ( 24.708 12.179 -14.625) 31.189 16.475 ( -4.661 -0.084 -1.271) 4.832 16.619 ( -3.768 -5.264 -6.082) 8.883 16.697 ( 1.371 -0.232 2.652) 2.995 16.807 ( 2.198 0.498 1.478) 2.695 16.966 ( 1.190 -0.229 -1.625) 2.027 16.990 ( -1.181 -0.743 1.578) 2.107 17.079 ( -4.549 -0.742 2.958) 5.477 17.199 ( -5.121 0.018 4.163) 6.600 19.650 ( 4.570 0.908 1.749) 4.977 19.831 ( 8.567 -0.073 -1.309) 8.667 21.435 ( -3.913 3.113 1.003) 5.100 21.505 ( -4.105 0.856 -1.625) 4.497 22.877 ( -9.479 -1.869 3.303) 10.210 23.068 ( -4.069 -3.547 -6.084) 8.133 27.722 ( -0.962 -0.564 4.149) 4.296 28.275 ( -1.189 5.870 7.488) 9.589 29.404 ( 6.765 -1.545 -3.862) 7.941 29.619 ( 0.745 8.030 2.946) 8.585 29.788 ( -0.174 2.550 1.061) 2.768 29.874 ( -0.017 -1.427 -1.670) 2.197 30.800 ( 3.424 -0.923 0.248) 3.554 31.051 ( 2.747 3.006 -2.470) 4.763 31.159 ( -3.677 -11.456 -2.399) 12.268 31.282 ( -0.618 -9.828 2.167) 10.083 31.769 ( -1.001 2.463 4.354) 5.102 31.824 ( 1.154 3.388 -1.735) 3.978 32.018 ( -3.505 -1.022 -3.147) 4.820 32.081 ( -1.355 -3.061 -1.516) 3.675 32.249 ( 3.015 -0.171 -0.432) 3.051 32.269 ( 5.776 -1.592 1.320) 6.135 32.454 ( 8.137 -2.328 0.275) 8.468 32.927 ( 13.900 -1.331 -16.860) 21.891 34.333 ( -1.068 -1.292 2.692) 3.171 34.395 ( -2.093 -5.025 -3.182) 6.306 35.047 ( -14.021 4.532 12.798) 19.517 35.541 ( -5.675 -2.082 3.052) 6.772 35.781 ( 8.598 2.949 0.794) 9.124 35.866 ( 4.431 -1.892 -0.599) 4.855 37.126 ( -12.512 27.764 3.074) 30.608 37.578 ( -7.618 3.304 -1.306) 8.406 ======================= Grid point 95 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.529 -15.509 18.022) 24.037 1.694 ( 3.791 -14.943 16.113) 22.300 1.906 ( 18.418 -4.137 -3.297) 19.162 2.117 ( 16.308 -8.620 -10.433) 21.192 2.229 ( 12.368 3.361 12.184) 17.683 2.574 ( -2.484 6.561 -4.961) 8.592 2.745 ( 2.549 2.966 0.598) 3.957 3.062 ( -3.137 -0.710 1.840) 3.705 3.209 ( 3.546 4.071 1.470) 5.596 3.248 ( 1.728 -1.957 7.734) 8.163 3.445 ( 2.570 -2.549 -6.555) 7.488 3.516 ( -3.820 -1.757 -7.665) 8.742 3.658 ( 7.719 -1.357 -2.740) 8.302 3.725 ( -2.275 -4.384 7.606) 9.069 3.811 ( 0.726 -0.998 -3.007) 3.251 3.902 ( 2.367 -12.735 -5.137) 13.935 3.996 ( 1.422 -0.244 -0.707) 1.606 4.176 ( 6.169 -2.553 -0.289) 6.683 4.250 ( -2.708 0.368 -0.375) 2.759 4.337 ( 4.574 -0.448 -2.286) 5.133 4.427 ( 0.111 -4.417 2.372) 5.015 4.544 ( 4.156 -1.422 -1.676) 4.702 4.654 ( 0.059 -6.538 -2.320) 6.938 4.800 ( 1.987 3.509 -2.344) 4.664 4.825 ( 2.598 -0.262 -2.010) 3.295 5.001 ( -0.544 -0.780 8.386) 8.439 5.043 ( -4.150 -1.270 -4.908) 6.552 5.329 ( -0.329 7.269 -2.081) 7.568 5.504 ( 0.146 4.560 -2.072) 5.011 5.647 ( -7.098 3.745 -2.397) 8.376 5.827 ( -2.993 -3.152 -0.737) 4.408 5.906 ( -4.037 -0.988 -2.403) 4.801 5.980 ( -8.486 1.070 -0.376) 8.562 6.391 ( -7.947 -3.856 -0.688) 8.860 7.129 ( -6.083 -3.882 -2.365) 7.594 7.418 ( -0.572 3.706 2.530) 4.524 7.558 ( -0.102 0.941 3.557) 3.681 7.705 ( 2.675 2.463 -3.785) 5.249 7.912 ( -1.925 3.339 6.598) 7.641 8.087 ( -3.613 2.873 -1.508) 4.856 8.226 ( -9.041 -3.206 10.670) 14.348 8.329 ( -6.357 -3.540 3.361) 8.015 8.715 ( -1.276 5.759 -2.270) 6.320 8.777 ( 2.135 1.768 -0.946) 2.928 8.875 ( 0.903 -0.931 -1.879) 2.283 9.005 ( 7.634 2.785 0.167) 8.127 9.268 ( -7.148 4.661 1.519) 8.668 9.450 ( -3.799 4.456 -1.916) 6.161 9.795 ( -8.557 0.984 -2.133) 8.874 9.998 ( -4.443 0.730 4.835) 6.607 10.092 ( -1.588 -0.174 -1.942) 2.514 10.451 ( 3.450 -0.216 -1.518) 3.775 10.787 ( 2.935 -0.092 -1.389) 3.249 10.840 ( -1.635 -1.335 2.975) 3.648 11.196 ( 8.324 -0.241 -3.733) 9.125 11.336 ( 8.023 -3.395 3.489) 9.385 11.849 ( -6.155 2.694 -1.811) 6.959 11.900 ( -2.104 1.984 0.858) 3.016 12.653 ( 0.826 4.546 -3.132) 5.582 12.833 ( -3.697 1.242 -0.708) 3.964 13.130 ( -4.836 0.009 1.635) 5.105 13.152 ( -4.234 -0.978 -1.589) 4.627 13.533 ( 1.498 -1.044 -0.773) 1.983 13.628 ( 1.938 -0.752 1.067) 2.337 13.810 ( 0.376 1.143 6.651) 6.759 14.096 ( 2.660 7.052 1.067) 7.611 14.520 ( 12.165 2.784 -0.806) 12.506 14.598 ( 5.965 0.482 -0.516) 6.007 14.772 ( -3.518 -0.322 1.745) 3.940 15.072 ( -0.751 -3.034 -1.721) 3.568 15.409 ( 15.198 -4.352 5.200) 16.642 15.496 ( 11.123 2.009 -2.479) 11.572 15.691 ( 10.459 6.810 -4.145) 13.150 15.744 ( 8.094 1.254 1.611) 8.347 16.451 ( -3.172 -1.817 1.262) 3.867 16.653 ( -0.517 -3.031 -9.711) 10.186 16.714 ( 0.466 0.388 4.667) 4.706 16.846 ( 2.100 -2.232 1.397) 3.368 16.970 ( -0.291 -0.160 -2.863) 2.883 17.003 ( 1.432 -0.978 0.990) 1.997 17.084 ( -1.607 -1.515 1.840) 2.875 17.152 ( -5.796 -0.044 1.531) 5.995 19.685 ( 4.778 0.934 2.343) 5.403 19.892 ( 8.052 1.436 -2.712) 8.617 21.331 ( -5.387 4.176 2.009) 7.106 21.435 ( -5.107 1.431 -2.318) 5.788 22.848 ( -7.657 -3.202 4.170) 9.288 23.086 ( -2.841 -4.414 -6.247) 8.160 27.743 ( -0.005 -1.157 2.685) 2.924 28.147 ( -2.808 7.960 3.028) 8.967 29.489 ( 6.035 -2.208 -2.932) 7.064 29.534 ( -0.009 3.800 1.095) 3.955 29.733 ( 0.880 3.839 1.064) 4.080 29.902 ( 1.563 -0.789 0.581) 1.845 30.853 ( 3.437 -1.308 0.236) 3.686 31.040 ( 2.408 0.955 -1.060) 2.800 31.275 ( -3.994 -7.867 -1.750) 8.995 31.439 ( -3.914 -10.505 2.698) 11.531 31.704 ( 1.786 7.233 2.344) 7.811 31.791 ( -1.028 -0.584 -0.629) 1.339 31.975 ( -5.140 -0.424 -3.318) 6.132 32.113 ( 0.059 -1.397 0.188) 1.411 32.297 ( 4.819 -1.285 -1.179) 5.125 32.357 ( 4.338 -2.493 -0.185) 5.006 32.565 ( 6.945 -1.047 2.510) 7.458 32.990 ( 6.405 -0.056 -12.556) 14.095 34.376 ( -0.894 -3.535 4.112) 5.496 34.474 ( -1.297 -7.902 -4.214) 9.049 34.887 ( -10.318 4.838 11.748) 16.367 35.509 ( -9.730 -2.760 -1.562) 10.234 35.828 ( 12.672 4.676 2.977) 13.832 35.927 ( 2.134 -0.405 1.475) 2.626 36.596 ( -2.697 25.617 -2.478) 25.878 37.415 ( -5.333 7.548 -1.147) 9.313 ======================= Grid point 96 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 2.691 -10.622 14.143) 17.891 1.991 ( 2.852 -9.379 10.225) 14.165 2.094 ( 8.267 -2.747 1.285) 8.806 2.193 ( 6.199 8.918 4.480) 11.749 2.364 ( 4.877 -9.814 -12.044) 16.284 2.494 ( 7.421 4.683 -2.244) 9.057 2.727 ( -1.429 2.742 4.802) 5.711 3.077 ( -0.551 -4.761 1.161) 4.932 3.150 ( 0.541 4.739 2.622) 5.443 3.308 ( 0.677 -2.846 5.724) 6.428 3.432 ( -3.309 3.211 -6.770) 8.191 3.497 ( -1.147 -1.995 -5.026) 5.528 3.697 ( -6.468 2.688 5.886) 9.149 3.737 ( 4.512 0.155 0.479) 4.540 3.851 ( 3.560 -0.604 -3.016) 4.705 3.976 ( 0.934 -3.609 -9.959) 10.634 4.145 ( -0.568 -7.569 2.634) 8.035 4.263 ( 2.480 -5.007 -1.439) 5.770 4.359 ( 3.405 -3.441 -1.245) 4.999 4.407 ( 7.068 -5.489 1.602) 9.092 4.518 ( 2.066 -5.140 3.485) 6.545 4.587 ( -2.011 -0.762 4.329) 4.834 4.664 ( -2.729 0.650 -3.647) 4.601 4.784 ( -0.645 1.504 -6.289) 6.499 4.867 ( 5.519 -1.914 -1.380) 6.002 4.964 ( -0.123 4.291 6.116) 7.472 5.008 ( -2.321 -0.937 -3.244) 4.097 5.259 ( 2.056 4.411 3.558) 6.028 5.411 ( -3.012 2.409 -4.446) 5.886 5.521 ( -0.499 3.896 -5.082) 6.423 5.821 ( -2.771 -0.601 1.843) 3.381 5.877 ( -2.487 0.311 -5.252) 5.819 5.947 ( -2.810 -2.498 1.147) 3.931 6.373 ( -7.474 -3.094 -0.212) 8.092 7.163 ( -2.421 -5.348 -2.583) 6.413 7.390 ( -0.538 -0.304 1.812) 1.915 7.560 ( 1.003 -0.648 0.564) 1.321 7.670 ( -0.665 1.798 -1.833) 2.653 7.842 ( 1.511 5.964 1.622) 6.362 7.983 ( -4.792 3.498 1.778) 6.194 8.279 ( -4.323 -5.758 8.424) 11.082 8.362 ( -5.222 -6.042 2.621) 8.405 8.588 ( 0.064 8.228 -0.364) 8.236 8.750 ( 2.724 3.014 -3.596) 5.425 8.904 ( 0.760 -1.583 0.236) 1.772 8.995 ( 2.839 5.140 0.121) 5.873 9.148 ( -5.589 2.357 0.004) 6.065 9.339 ( -1.913 4.298 -0.409) 4.722 9.724 ( -5.511 -1.460 -1.331) 5.855 9.975 ( -1.539 -0.144 3.890) 4.185 10.057 ( -2.373 0.615 -2.813) 3.732 10.463 ( 1.495 1.060 -1.005) 2.091 10.815 ( 1.161 -0.917 0.080) 1.482 10.862 ( 1.433 -0.396 2.525) 2.931 11.242 ( 5.674 1.673 -3.176) 6.714 11.437 ( 2.825 -0.871 2.024) 3.582 11.769 ( -3.358 0.621 -1.474) 3.720 11.873 ( 0.200 0.661 0.789) 1.049 12.601 ( 2.664 2.494 -2.968) 4.704 12.766 ( -4.372 1.281 0.673) 4.605 13.078 ( -5.061 -0.290 -0.281) 5.077 13.149 ( -1.241 -1.330 -2.978) 3.490 13.569 ( 1.208 -1.609 -0.417) 2.055 13.662 ( 1.391 -0.832 1.606) 2.282 13.792 ( -2.067 2.669 8.898) 9.517 14.033 ( 3.162 4.192 1.074) 5.359 14.573 ( 9.938 3.579 -0.496) 10.574 14.623 ( 6.193 2.232 -1.389) 6.728 14.749 ( -2.697 -0.010 2.248) 3.511 15.112 ( 1.842 -1.743 -4.230) 4.932 15.528 ( 5.675 1.807 1.110) 6.058 15.561 ( 6.825 1.416 -0.505) 6.988 15.646 ( 2.361 4.609 -1.269) 5.331 15.805 ( 4.302 0.600 2.317) 4.923 16.478 ( -0.946 -2.502 2.534) 3.684 16.658 ( 1.101 -0.736 -5.473) 5.631 16.719 ( -0.248 0.562 2.854) 2.919 16.912 ( 1.222 -2.965 1.144) 3.405 16.956 ( -1.153 0.240 -2.427) 2.697 17.043 ( 2.867 -0.557 -1.937) 3.504 17.083 ( -3.573 -1.118 1.933) 4.214 17.126 ( -2.413 -1.707 -0.232) 2.965 19.715 ( 3.593 1.405 2.582) 4.642 19.918 ( 5.720 2.316 -3.425) 7.058 21.229 ( -4.628 2.437 2.672) 5.874 21.364 ( -4.243 0.493 -2.801) 5.108 22.859 ( -5.342 -3.759 5.062) 8.264 23.121 ( -0.781 -3.831 -6.003) 7.163 27.774 ( 0.113 -1.713 1.862) 2.532 28.005 ( -2.251 6.432 0.426) 6.828 29.480 ( -1.152 2.259 -0.585) 2.603 29.566 ( 3.507 -2.284 -2.606) 4.930 29.702 ( 2.871 2.674 2.707) 4.767 29.918 ( 0.726 0.650 0.733) 1.220 30.902 ( 2.511 -0.897 0.227) 2.676 31.043 ( 1.544 1.135 0.022) 1.916 31.354 ( -2.506 -6.164 -0.045) 6.654 31.558 ( -4.569 -6.696 -0.095) 8.107 31.611 ( 2.350 4.809 2.479) 5.898 31.807 ( 0.656 -0.792 1.404) 1.740 31.928 ( -4.849 -1.193 -3.259) 5.963 32.139 ( 2.277 -0.633 0.560) 2.429 32.360 ( 4.121 -1.165 -1.241) 4.459 32.419 ( 2.555 -1.152 -1.591) 3.223 32.614 ( 3.056 1.869 2.255) 4.233 32.995 ( 1.767 0.241 -7.964) 8.161 34.444 ( -1.199 -3.956 5.224) 6.661 34.596 ( -0.395 -7.413 -2.967) 7.995 34.777 ( -6.527 0.822 9.443) 11.509 35.433 ( -12.722 -1.415 -4.651) 13.619 35.837 ( 5.912 10.370 5.106) 12.983 35.918 ( 7.312 2.540 -2.459) 8.122 36.283 ( 6.391 12.761 -2.565) 14.501 37.244 ( -6.231 5.859 -0.753) 8.586 ======================= Grid point 97 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -6.186 5.531 7.837) 11.414 2.076 ( 1.843 4.612 15.603) 16.375 2.125 ( -0.323 -0.303 -0.281) 0.524 2.249 ( 8.249 0.522 0.430) 8.277 2.436 ( 0.159 -3.258 -8.108) 8.740 2.516 ( 9.155 3.699 -4.279) 10.761 2.680 ( -2.027 -1.795 9.432) 9.813 3.131 ( 1.409 1.953 4.531) 5.131 3.149 ( -2.794 -4.761 0.476) 5.541 3.320 ( -0.889 5.514 -4.268) 7.029 3.381 ( -4.571 7.875 2.849) 9.541 3.467 ( 1.401 -8.074 -4.824) 9.509 3.623 ( -3.148 0.110 9.316) 9.834 3.754 ( 2.451 1.104 -6.299) 6.848 3.864 ( 3.568 1.800 -2.801) 4.880 4.037 ( 0.695 -4.834 -7.921) 9.305 4.199 ( -11.923 5.225 -0.430) 13.024 4.243 ( 1.405 -3.791 0.431) 4.066 4.405 ( -4.642 -3.422 -0.782) 5.820 4.493 ( 1.906 4.248 3.046) 5.564 4.575 ( -4.585 -0.007 0.381) 4.601 4.591 ( 2.542 -1.137 6.270) 6.861 4.698 ( -1.538 -2.842 -1.142) 3.428 4.753 ( -0.880 -2.885 -6.311) 6.995 4.850 ( 3.305 1.366 -1.257) 3.790 4.972 ( 1.597 3.227 -1.583) 3.933 5.133 ( 9.981 -9.730 1.231) 13.993 5.179 ( 3.816 6.876 1.427) 7.993 5.361 ( -1.964 -0.250 -3.559) 4.073 5.523 ( 8.051 0.211 -1.174) 8.139 5.796 ( -4.493 1.815 -0.569) 4.879 5.855 ( 0.440 -3.025 -2.203) 3.768 5.983 ( -0.658 -3.547 -0.423) 3.632 6.362 ( -6.726 -3.951 -0.638) 7.826 7.212 ( -0.015 -2.269 -2.525) 3.395 7.423 ( -0.850 -3.239 -0.731) 3.428 7.599 ( 3.611 0.898 0.023) 3.721 7.648 ( -0.133 -2.172 1.398) 2.586 7.765 ( 1.341 4.516 -1.690) 5.005 7.929 ( -2.359 -0.899 3.109) 4.005 8.348 ( -4.533 -5.378 4.373) 8.282 8.427 ( -2.229 -0.561 -0.233) 2.310 8.467 ( 0.021 2.560 6.134) 6.647 8.717 ( 2.492 2.604 -4.061) 5.430 8.895 ( -2.750 3.550 0.636) 4.535 8.924 ( -2.406 2.923 1.697) 4.149 9.097 ( -2.593 -2.655 -0.657) 3.769 9.302 ( 2.939 0.625 -0.068) 3.006 9.738 ( -0.939 -4.034 -0.447) 4.166 9.984 ( -0.766 -0.659 0.583) 1.166 10.046 ( 1.216 -1.662 -0.370) 2.093 10.446 ( -0.061 1.227 -1.206) 1.721 10.830 ( -1.599 -0.613 2.179) 2.771 10.883 ( 4.083 1.612 0.274) 4.398 11.226 ( 2.488 3.916 -2.910) 5.476 11.426 ( -3.425 2.008 1.560) 4.266 11.755 ( -0.722 -1.411 -0.966) 1.856 11.877 ( 0.620 -0.263 0.555) 0.873 12.605 ( 4.640 0.234 -3.280) 5.687 12.735 ( -2.154 -0.926 1.573) 2.823 13.046 ( -4.777 -1.392 -0.337) 4.987 13.153 ( -1.254 -1.865 -3.824) 4.435 13.599 ( 1.122 -0.673 -0.589) 1.435 13.684 ( 0.462 -0.064 1.211) 1.297 13.750 ( -1.970 2.568 9.748) 10.271 14.015 ( 2.926 2.423 2.475) 4.534 14.575 ( 5.895 4.669 -0.593) 7.543 14.652 ( 9.212 3.043 -0.528) 9.716 14.748 ( -0.658 -1.466 1.850) 2.451 15.125 ( 1.205 0.632 -5.671) 5.832 15.495 ( -2.584 4.494 1.952) 5.539 15.544 ( -2.687 3.361 -1.772) 4.654 15.586 ( 1.349 3.264 -1.692) 3.917 15.784 ( -2.157 4.083 2.258) 5.140 16.496 ( 0.225 1.035 2.078) 2.332 16.685 ( -0.216 -0.698 4.655) 4.712 16.718 ( 2.896 -0.798 -4.722) 5.597 16.917 ( -2.525 1.144 0.109) 2.775 16.967 ( -0.107 -1.590 -1.156) 1.969 17.039 ( -0.909 -0.591 -4.113) 4.253 17.105 ( -0.384 -2.192 1.286) 2.571 17.142 ( -0.124 -1.347 0.438) 1.421 19.713 ( 1.257 2.484 2.440) 3.702 19.902 ( 2.417 3.127 -3.607) 5.351 21.198 ( -1.720 -1.628 2.797) 3.665 21.336 ( -1.789 -1.719 -2.934) 3.842 22.894 ( -3.265 -3.493 5.348) 7.174 23.160 ( 1.222 -2.611 -5.808) 6.484 27.808 ( -0.235 -1.757 1.369) 2.240 27.907 ( -1.114 3.204 -0.133) 3.395 29.435 ( -0.677 2.086 -0.142) 2.197 29.607 ( 1.395 -0.593 -1.865) 2.404 29.706 ( 2.608 1.210 2.283) 3.672 29.896 ( -1.558 1.530 0.077) 2.185 30.927 ( 1.009 0.039 0.481) 1.118 31.028 ( 0.722 2.034 0.327) 2.183 31.430 ( -0.832 -4.387 0.596) 4.505 31.521 ( 3.380 5.072 1.182) 6.209 31.671 ( -3.489 -6.851 0.321) 7.695 31.815 ( -0.704 0.240 1.128) 1.351 31.931 ( -0.388 -3.264 -1.608) 3.660 32.184 ( 4.706 -0.380 0.475) 4.745 32.395 ( 1.635 0.062 -1.259) 2.064 32.435 ( 1.731 0.588 -3.157) 3.648 32.581 ( 0.195 4.135 1.431) 4.380 32.973 ( -2.243 -0.042 -5.932) 6.342 34.493 ( -2.071 -0.538 6.696) 7.030 34.627 ( -1.522 -0.543 5.602) 5.830 34.859 ( -0.867 -9.849 2.008) 10.089 35.283 ( -13.013 2.073 -7.297) 15.063 35.710 ( 4.310 8.540 2.067) 9.787 35.970 ( 10.507 2.497 -4.389) 11.657 36.217 ( 7.368 4.121 1.723) 8.616 37.112 ( -8.878 0.928 -0.538) 8.942 ======================= Grid point 98 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -13.428 13.412 6.271) 19.988 1.904 ( -4.607 16.970 14.755) 22.955 2.038 ( -7.497 7.333 2.810) 10.857 2.276 ( 8.354 3.167 0.997) 8.990 2.440 ( 2.825 7.422 -6.895) 10.517 2.592 ( 4.283 -9.995 -3.887) 11.548 2.847 ( 4.462 -7.667 11.737) 14.713 3.032 ( -2.147 11.124 3.186) 11.769 3.106 ( -5.482 11.723 -3.998) 13.545 3.201 ( 1.489 5.353 3.886) 6.780 3.247 ( -0.864 -2.280 1.889) 3.084 3.546 ( 0.058 -2.346 -0.453) 2.390 3.688 ( -5.255 4.236 -2.573) 7.223 3.720 ( 2.581 -4.859 2.740) 6.146 3.834 ( 0.351 2.190 -12.323) 12.521 4.015 ( -5.016 0.443 2.216) 5.501 4.104 ( -4.501 -2.573 -3.069) 6.025 4.315 ( 2.044 -3.159 -3.650) 5.242 4.365 ( -1.749 7.772 0.916) 8.019 4.400 ( -4.619 -1.338 -1.903) 5.172 4.524 ( -0.994 2.287 1.461) 2.890 4.592 ( -2.463 4.956 4.215) 6.956 4.664 ( -3.498 -0.310 3.780) 5.160 4.772 ( 1.173 1.276 -6.916) 7.129 4.930 ( 1.311 -8.117 -3.687) 9.011 4.975 ( 4.473 0.006 2.813) 5.284 5.082 ( 4.793 7.521 -3.365) 9.532 5.316 ( -1.863 -3.504 -0.076) 3.970 5.359 ( 4.242 4.141 -0.860) 5.990 5.662 ( 12.958 -6.240 -0.447) 14.389 5.753 ( 0.897 -0.534 0.950) 1.411 5.937 ( 0.642 -6.248 -3.603) 7.241 6.064 ( 2.915 -6.052 -1.824) 6.961 6.372 ( -6.671 -5.182 -1.453) 8.571 7.233 ( 1.410 -0.587 -2.152) 2.639 7.437 ( -0.728 -0.135 -0.824) 1.108 7.595 ( -0.223 1.339 -0.198) 1.372 7.676 ( 0.203 1.358 -1.858) 2.310 7.778 ( 4.867 -3.289 1.977) 6.198 7.998 ( 0.875 -7.243 1.517) 7.451 8.336 ( -0.938 5.273 7.571) 9.274 8.408 ( -4.642 -6.011 3.403) 8.322 8.531 ( 2.896 -1.484 1.675) 3.660 8.687 ( 0.830 1.610 -1.494) 2.348 8.815 ( -4.795 0.807 -0.390) 4.878 8.833 ( -6.597 1.897 1.109) 6.953 9.174 ( 1.359 -5.539 1.099) 5.808 9.364 ( 3.811 -4.158 -1.206) 5.768 9.824 ( 3.453 -4.412 0.095) 5.604 9.995 ( -1.623 -2.649 -1.197) 3.329 10.121 ( 4.420 -2.863 1.948) 5.615 10.416 ( -1.735 1.053 -1.575) 2.569 10.820 ( 0.248 1.052 0.726) 1.303 10.887 ( 2.884 2.032 0.375) 3.548 11.145 ( 0.063 6.117 -2.721) 6.695 11.330 ( -8.121 3.305 1.998) 8.993 11.796 ( 1.757 -3.175 -0.275) 3.639 11.899 ( 0.808 -1.733 -0.007) 1.912 12.657 ( 5.966 -1.405 -3.332) 6.977 12.755 ( -1.780 -2.756 1.195) 3.491 13.025 ( -5.429 -1.892 0.910) 5.821 13.176 ( -0.807 -3.535 -3.140) 4.796 13.598 ( 0.570 1.514 -0.324) 1.649 13.677 ( 0.246 1.709 1.030) 2.011 13.751 ( -0.153 -0.639 9.262) 9.286 14.016 ( 2.984 1.689 2.455) 4.217 14.539 ( 5.526 5.915 0.013) 8.095 14.681 ( 9.372 4.089 0.341) 10.231 14.794 ( 1.198 -2.872 1.271) 3.361 15.067 ( -3.661 3.722 -4.739) 7.051 15.342 ( -12.546 5.987 -0.324) 13.905 15.423 ( -6.596 4.066 -0.636) 7.775 15.528 ( 0.866 4.694 -2.595) 5.433 15.662 ( -6.084 5.909 2.179) 8.757 16.478 ( 0.990 2.143 3.230) 4.000 16.678 ( 0.307 1.286 1.496) 1.996 16.779 ( 3.620 -1.985 -1.978) 4.578 16.875 ( -2.094 1.030 0.663) 2.426 16.955 ( -2.585 0.114 -3.176) 4.097 17.031 ( -0.271 0.132 -3.667) 3.680 17.146 ( 0.345 -2.085 0.471) 2.165 17.166 ( -0.238 -1.481 1.985) 2.488 19.676 ( -0.388 2.933 2.009) 3.576 19.846 ( 0.066 3.434 -3.774) 5.103 21.259 ( 0.460 -4.871 2.549) 5.517 21.368 ( 0.533 -3.644 -2.747) 4.595 22.941 ( -1.302 -3.084 4.910) 5.943 23.194 ( 2.542 -1.232 -5.659) 6.325 27.819 ( -2.276 -0.236 3.356) 4.062 27.893 ( 0.988 -1.711 -1.672) 2.589 29.393 ( -0.194 3.101 2.153) 3.780 29.603 ( 0.225 1.289 -1.453) 1.955 29.713 ( 1.396 0.743 0.822) 1.782 29.854 ( -2.890 0.314 -0.952) 3.059 30.924 ( -0.515 0.919 1.392) 1.746 30.994 ( 0.515 2.505 -0.341) 2.580 31.468 ( 0.893 0.248 2.302) 2.482 31.495 ( 3.594 3.105 1.667) 5.034 31.742 ( -3.138 -5.842 -2.178) 6.980 31.818 ( -1.284 -1.940 -0.002) 2.327 31.999 ( 4.049 -2.590 0.474) 4.830 32.221 ( 2.469 0.997 0.960) 2.831 32.374 ( -1.459 2.019 -0.894) 2.647 32.422 ( -0.393 1.580 -3.287) 3.668 32.523 ( 6.475 4.789 -1.489) 8.190 32.909 ( -7.500 0.247 -7.961) 10.940 34.452 ( -1.810 4.070 6.111) 7.562 34.702 ( 0.660 -5.412 11.478) 12.707 34.944 ( -0.564 3.156 -2.071) 3.816 35.171 ( -9.571 -7.395 -3.649) 12.634 35.661 ( 4.109 3.432 1.639) 5.599 35.956 ( -1.260 3.131 -2.287) 4.077 36.328 ( 18.658 -2.943 -0.865) 18.908 37.048 ( -12.676 -5.747 -0.476) 13.926 ======================= Grid point 99 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -12.775 18.537 8.441) 24.043 1.588 ( -5.671 20.478 19.232) 28.660 1.814 ( -10.271 9.164 2.672) 14.022 2.195 ( -2.689 17.698 -1.411) 17.956 2.310 ( 3.218 6.097 -2.491) 7.331 2.679 ( 0.919 10.543 -5.761) 12.049 2.784 ( -1.816 3.546 5.925) 7.140 2.864 ( 1.641 4.925 3.466) 6.242 3.113 ( 1.102 -4.928 4.968) 7.084 3.198 ( 2.034 -4.431 3.215) 5.839 3.278 ( 1.964 0.281 2.850) 3.473 3.542 ( -4.709 3.497 -3.213) 6.688 3.598 ( -0.100 -1.794 -3.773) 4.179 3.743 ( 4.951 5.062 -7.016) 9.968 3.800 ( -2.030 -1.538 0.281) 2.562 3.972 ( -1.752 3.274 -0.207) 3.719 4.055 ( -3.014 0.912 -3.994) 5.086 4.215 ( -5.821 5.084 -0.795) 7.769 4.330 ( -1.758 2.150 -4.547) 5.328 4.397 ( 0.946 -0.726 0.173) 1.205 4.428 ( -0.215 5.787 1.549) 5.995 4.595 ( 6.274 0.235 1.378) 6.428 4.644 ( -4.414 -0.382 2.479) 5.077 4.766 ( -0.100 -3.255 -3.305) 4.639 4.959 ( 1.046 6.481 -1.679) 6.776 5.011 ( -2.133 2.168 0.006) 3.041 5.085 ( 2.284 -8.354 -3.029) 9.175 5.246 ( -0.238 6.573 -1.314) 6.707 5.366 ( 3.287 -1.675 -0.131) 3.692 5.820 ( 4.664 -2.027 3.763) 6.327 5.873 ( 7.970 -5.896 -2.928) 10.337 6.019 ( 0.129 -4.139 -7.228) 8.331 6.220 ( 4.585 -7.319 -2.359) 8.953 6.406 ( -3.931 -6.424 -3.134) 8.157 7.250 ( 2.138 -0.459 -1.515) 2.660 7.442 ( -1.008 -1.398 2.680) 3.187 7.539 ( -1.750 3.028 -4.580) 5.763 7.654 ( -0.317 0.051 -1.352) 1.389 7.889 ( 5.008 -2.459 3.321) 6.493 8.147 ( -0.313 -8.392 -1.440) 8.520 8.323 ( -0.289 -1.715 14.268) 14.373 8.476 ( -1.893 -3.769 7.250) 8.387 8.558 ( 4.292 1.825 2.499) 5.291 8.683 ( -1.026 -1.344 -0.904) 1.917 8.763 ( -2.119 1.058 -0.251) 2.382 8.801 ( -5.908 -5.183 -1.767) 8.056 9.287 ( 0.761 -6.340 2.042) 6.704 9.480 ( 2.432 -6.229 -3.351) 7.480 9.930 ( 6.331 -2.386 -0.174) 6.768 10.035 ( -2.512 -4.466 -0.099) 5.125 10.203 ( 1.786 -1.372 3.185) 3.901 10.371 ( -1.586 1.028 -2.887) 3.450 10.819 ( 2.294 0.624 -0.589) 2.449 10.874 ( 2.140 2.238 -0.650) 3.164 11.028 ( 1.236 7.322 -0.774) 7.466 11.186 ( -10.430 3.831 1.657) 11.234 11.886 ( 2.681 -4.697 0.659) 5.449 11.955 ( 1.055 -3.906 -0.397) 4.065 12.734 ( 4.868 -2.308 -2.354) 5.880 12.788 ( -2.562 -3.824 -1.275) 4.776 13.029 ( -3.656 -3.487 4.511) 6.773 13.230 ( -0.284 -4.111 -1.721) 4.466 13.573 ( 0.416 1.973 0.749) 2.151 13.646 ( 0.859 2.346 -0.622) 2.575 13.792 ( -2.338 -1.541 9.722) 10.118 14.026 ( 3.730 1.724 0.321) 4.122 14.485 ( 5.860 7.434 0.639) 9.487 14.691 ( 7.735 5.057 -0.968) 9.292 14.853 ( -0.433 -2.151 3.272) 3.940 14.914 ( -7.606 5.970 -0.359) 9.676 15.074 ( -17.399 6.914 -2.331) 18.867 15.303 ( -4.590 2.968 -4.308) 6.960 15.447 ( -0.137 5.156 0.202) 5.162 15.514 ( -4.562 5.169 0.347) 6.904 16.479 ( 1.550 -0.007 3.517) 3.844 16.666 ( 1.382 1.385 -0.043) 1.957 16.794 ( -0.333 1.814 -0.477) 1.904 16.877 ( 2.700 -0.896 0.768) 2.946 16.909 ( -3.016 0.742 -4.934) 5.830 17.006 ( -0.966 1.156 -2.015) 2.516 17.170 ( -1.914 -1.516 3.310) 4.113 17.206 ( 1.117 -1.833 0.483) 2.201 19.630 ( -0.732 2.429 1.390) 2.892 19.782 ( 0.068 2.720 -4.163) 4.974 21.357 ( 0.063 -5.329 2.018) 5.699 21.438 ( 1.535 -4.127 -2.219) 4.931 22.998 ( -0.015 -2.895 3.582) 4.606 23.214 ( 2.796 0.115 -5.398) 6.080 27.816 ( -5.058 -2.089 6.456) 8.463 27.947 ( 2.563 -3.387 -2.844) 5.111 29.340 ( 0.557 4.195 4.639) 6.279 29.564 ( -1.550 2.289 -0.564) 2.821 29.717 ( 0.894 0.163 0.231) 0.938 29.837 ( -1.540 -1.618 -2.593) 3.422 30.888 ( -2.251 2.619 2.614) 4.331 30.966 ( 1.478 1.297 -2.085) 2.866 31.448 ( 4.420 6.498 2.736) 8.321 31.501 ( -0.500 -1.839 4.028) 4.456 31.788 ( -2.704 -3.749 -3.819) 5.996 31.844 ( -1.397 -2.655 -3.238) 4.414 32.084 ( 6.089 -1.243 1.743) 6.454 32.204 ( -0.900 1.599 1.068) 2.123 32.308 ( -3.645 2.612 -1.233) 4.651 32.346 ( -3.242 3.794 0.988) 5.087 32.542 ( 15.614 6.308 -6.212) 17.949 32.768 ( -11.073 2.279 -15.120) 18.879 34.388 ( -0.616 3.836 5.443) 6.688 34.774 ( 2.374 9.344 -5.236) 10.971 34.904 ( -2.818 -10.660 17.960) 21.075 35.251 ( -5.752 -8.223 1.326) 10.122 35.668 ( 3.692 1.205 2.832) 4.806 35.870 ( -5.298 2.166 -0.017) 5.723 36.622 ( 23.137 -7.153 -1.277) 24.251 37.075 ( -15.324 -14.898 -1.107) 21.401 ======================= Grid point 100 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 2.854 17.344 15.826) 23.652 1.243 ( -1.676 23.203 19.638) 30.445 1.587 ( -6.977 10.833 15.353) 20.044 1.814 ( -10.031 15.855 -6.074) 19.720 2.079 ( 1.103 18.924 -6.291) 19.973 2.612 ( 8.256 0.921 -3.627) 9.065 2.686 ( -2.755 5.313 10.432) 12.027 2.900 ( 2.243 -2.063 0.782) 3.146 3.201 ( -0.674 0.817 5.219) 5.325 3.253 ( -2.112 -3.569 3.034) 5.138 3.326 ( 2.597 -0.830 0.998) 2.903 3.465 ( -0.215 1.639 -3.816) 4.158 3.566 ( 0.380 2.926 -9.959) 10.387 3.689 ( 3.358 3.163 -3.267) 5.653 3.772 ( -1.938 2.582 1.772) 3.683 3.938 ( 4.685 3.396 -5.067) 7.691 4.003 ( -0.749 1.717 1.025) 2.136 4.101 ( -4.275 0.587 -4.485) 6.224 4.292 ( 2.844 1.698 -1.044) 3.473 4.325 ( 0.449 4.107 3.490) 5.408 4.449 ( -1.373 -2.408 -1.889) 3.355 4.567 ( -2.194 3.428 0.973) 4.184 4.655 ( 2.022 -0.277 -3.329) 3.905 4.805 ( 0.108 -0.610 -6.382) 6.412 4.825 ( -5.743 6.616 -0.994) 8.817 4.935 ( 1.002 2.373 1.399) 2.931 5.158 ( 0.679 2.511 -1.826) 3.179 5.255 ( 1.809 -6.182 5.829) 8.687 5.437 ( 4.797 -2.236 -1.836) 5.602 5.887 ( 0.585 -1.364 -2.935) 3.289 5.957 ( 0.243 -0.673 -10.414) 10.438 6.051 ( 2.015 -2.154 -2.119) 3.632 6.302 ( -2.979 -1.935 -0.958) 3.679 6.494 ( 1.573 -5.101 -4.228) 6.810 7.292 ( 1.590 -2.675 -0.097) 3.113 7.453 ( -1.916 2.445 -5.777) 6.559 7.476 ( -1.253 -2.263 6.330) 6.838 7.671 ( 0.688 -1.912 -1.956) 2.821 7.960 ( 0.691 -1.740 4.805) 5.157 8.218 ( -3.133 -4.169 -5.355) 7.475 8.436 ( -3.533 -3.792 15.664) 16.499 8.547 ( 0.992 -0.829 9.370) 9.459 8.590 ( -0.199 -4.459 5.797) 7.316 8.731 ( 0.373 -5.838 2.666) 6.429 8.772 ( 0.551 -3.714 0.924) 3.867 8.842 ( 1.571 -2.675 -4.720) 5.648 9.410 ( -0.487 -7.493 1.569) 7.671 9.575 ( -0.199 -5.102 -5.131) 7.238 10.007 ( 4.288 -0.507 -0.088) 4.319 10.086 ( -1.053 -3.391 -0.271) 3.561 10.187 ( -5.474 1.531 4.497) 7.248 10.362 ( 2.306 -0.085 -4.323) 4.900 10.794 ( -4.463 1.498 -0.138) 4.709 10.882 ( 9.305 2.032 -4.598) 10.577 10.958 ( 6.156 5.415 3.471) 8.903 11.032 ( -9.457 3.094 0.961) 9.996 11.987 ( 0.360 -4.860 1.638) 5.141 12.032 ( -0.335 -4.675 -0.303) 4.697 12.788 ( -3.433 -3.831 -0.296) 5.153 12.849 ( 3.589 -3.528 -3.570) 6.170 13.092 ( -0.991 -3.972 6.989) 8.100 13.294 ( 0.029 -4.215 0.066) 4.216 13.545 ( 0.053 1.710 0.531) 1.791 13.618 ( -0.118 1.285 -1.175) 1.745 13.782 ( -9.394 0.309 9.727) 13.526 14.023 ( 3.535 2.395 -1.024) 4.391 14.404 ( 2.240 7.247 1.652) 7.763 14.558 ( -11.986 8.567 -5.886) 15.865 14.788 ( 4.976 4.330 1.919) 6.870 14.871 ( 9.929 3.579 4.364) 11.420 14.932 ( -2.951 -1.156 0.375) 3.191 15.235 ( -0.286 0.058 -5.652) 5.660 15.325 ( -6.726 5.147 3.324) 9.098 15.455 ( 5.091 2.944 -1.641) 6.106 16.526 ( 0.916 -2.737 2.363) 3.730 16.657 ( 1.648 1.442 -1.084) 2.443 16.750 ( -0.314 2.232 0.366) 2.284 16.843 ( -3.482 1.734 -4.620) 6.039 16.928 ( 3.514 -0.705 0.786) 3.669 16.970 ( -0.590 1.481 -0.799) 1.783 17.187 ( -5.038 -2.876 6.143) 8.449 17.240 ( 0.666 -1.044 0.536) 1.349 19.595 ( -0.258 1.395 0.955) 1.710 19.740 ( 1.679 1.781 -4.577) 5.190 21.434 ( -1.302 -3.962 1.411) 4.403 21.509 ( 1.247 -3.224 -1.611) 3.813 23.044 ( -1.341 -1.936 1.419) 2.750 23.207 ( 1.431 1.544 -4.860) 5.296 27.821 ( -10.553 -4.199 9.351) 14.711 28.040 ( 5.192 -4.474 -1.985) 7.135 29.320 ( 3.567 1.575 7.748) 8.674 29.502 ( -2.611 2.175 -0.017) 3.398 29.730 ( 1.175 -0.580 0.390) 1.367 29.861 ( 0.215 -2.682 -3.389) 4.327 30.822 ( -2.542 3.038 2.841) 4.875 30.968 ( 2.360 -0.359 -3.388) 4.145 31.366 ( 2.557 8.091 2.756) 8.922 31.547 ( -1.250 -1.615 3.978) 4.472 31.761 ( -4.514 2.149 -7.576) 9.077 31.853 ( -2.985 -2.759 -6.067) 7.302 32.152 ( 2.842 -0.121 1.520) 3.225 32.178 ( 0.127 1.111 1.120) 1.582 32.214 ( -2.683 3.557 -0.997) 4.566 32.269 ( -0.566 3.830 -0.388) 3.891 32.474 ( -8.416 7.341 -3.137) 11.600 32.613 ( 18.676 9.412 -22.025) 30.372 34.348 ( -0.060 2.365 4.373) 4.972 34.602 ( -0.576 8.875 -5.626) 10.524 35.166 ( -6.990 -16.012 20.488) 26.926 35.327 ( 0.682 -4.433 1.835) 4.846 35.701 ( 0.834 -1.170 5.815) 5.990 35.811 ( 0.217 1.444 0.510) 1.547 36.936 ( 7.669 -12.936 10.520) 18.352 37.293 ( -2.470 -22.080 -4.343) 22.638 ======================= Grid point 103 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 7.837 -0.000 18.230) 19.843 1.448 ( -0.200 0.000 31.158) 31.159 1.831 ( 12.382 -0.000 -13.448) 18.280 1.895 ( 22.427 -0.000 -2.441) 22.560 2.350 ( 30.672 -0.000 17.199) 35.165 2.826 ( -2.800 0.000 -1.613) 3.231 2.897 ( 4.635 -0.000 -2.636) 5.332 3.028 ( 8.851 -0.000 -0.578) 8.870 3.067 ( -4.402 0.000 5.860) 7.329 3.269 ( 7.622 -0.000 -7.400) 10.623 3.365 ( -4.688 0.000 -11.921) 12.810 3.461 ( 5.357 -0.000 -1.074) 5.463 3.597 ( -0.687 0.000 7.015) 7.049 3.642 ( -1.223 0.000 6.166) 6.286 3.763 ( -1.021 0.000 -4.937) 5.041 3.764 ( 0.803 -0.000 -5.875) 5.929 3.967 ( 5.270 -0.000 -4.614) 7.005 4.145 ( 4.585 -0.000 -2.801) 5.373 4.229 ( 1.294 -0.000 2.573) 2.880 4.322 ( -12.416 0.000 2.749) 12.716 4.422 ( 8.821 -0.000 -7.983) 11.897 4.501 ( 2.999 -0.000 3.891) 4.913 4.541 ( 3.974 -0.000 -8.144) 9.062 4.824 ( 1.112 -0.000 -5.318) 5.433 4.847 ( -4.203 0.000 8.389) 9.383 4.964 ( 6.831 -0.000 -5.071) 8.508 5.137 ( 6.781 -0.000 -5.079) 8.472 5.331 ( -4.344 0.000 0.772) 4.412 5.586 ( 2.367 -0.000 1.856) 3.008 5.721 ( -4.472 0.000 -0.222) 4.477 5.799 ( -6.718 0.000 -1.134) 6.813 5.821 ( -4.871 0.000 -2.514) 5.482 6.062 ( -11.022 0.000 3.669) 11.617 6.244 ( -13.865 0.000 -2.950) 14.176 7.065 ( -8.762 0.000 -1.154) 8.837 7.529 ( -1.675 0.000 4.904) 5.182 7.609 ( 1.077 -0.000 1.951) 2.228 7.761 ( 4.391 -0.000 0.520) 4.422 7.944 ( -5.849 0.000 9.276) 10.966 8.054 ( -12.122 0.000 7.231) 14.115 8.246 ( -5.695 0.000 -2.180) 6.098 8.269 ( -6.333 0.000 3.901) 7.438 8.728 ( -1.729 0.000 -1.902) 2.570 8.798 ( 2.846 -0.000 -1.434) 3.187 8.917 ( 0.784 -0.000 -1.205) 1.437 9.046 ( 6.690 -0.000 -0.125) 6.691 9.370 ( -8.112 0.000 2.174) 8.399 9.527 ( -4.908 0.000 -3.344) 5.939 9.831 ( -8.781 0.000 -2.744) 9.199 10.003 ( -5.921 0.000 2.876) 6.583 10.082 ( -0.300 0.000 3.562) 3.574 10.443 ( 5.812 -0.000 -3.736) 6.909 10.789 ( 0.675 -0.000 -0.208) 0.706 10.806 ( 0.533 -0.000 1.594) 1.681 11.181 ( 8.797 -0.000 -3.946) 9.642 11.273 ( 10.147 -0.000 4.443) 11.077 11.905 ( -6.904 0.000 -1.662) 7.101 11.943 ( -5.626 0.000 0.363) 5.638 12.808 ( -1.312 0.000 -1.554) 2.034 12.822 ( 3.984 -0.000 -6.654) 7.755 13.070 ( -7.156 0.000 5.004) 8.732 13.158 ( -8.522 0.000 -0.640) 8.546 13.529 ( 1.770 -0.000 -1.794) 2.520 13.614 ( 1.024 -0.000 0.288) 1.064 13.827 ( 1.385 -0.000 3.785) 4.030 14.304 ( -2.906 0.000 3.476) 4.531 14.537 ( 14.824 -0.000 -2.906) 15.107 14.613 ( 15.521 -0.000 0.665) 15.535 14.756 ( -3.351 0.000 0.833) 3.453 15.005 ( -1.832 0.000 1.682) 2.487 15.311 ( 20.706 -0.000 4.528) 21.196 15.551 ( 11.497 -0.000 0.432) 11.505 15.716 ( 8.250 -0.000 2.287) 8.561 16.016 ( 13.783 -0.000 -16.316) 21.358 16.447 ( 1.347 -0.000 -7.134) 7.261 16.483 ( -8.055 0.000 0.768) 8.092 16.721 ( 2.193 -0.000 2.785) 3.545 16.819 ( -1.182 0.000 0.615) 1.332 16.969 ( -0.785 0.000 0.225) 0.817 16.977 ( 1.654 -0.000 -0.377) 1.697 17.041 ( -2.610 0.000 1.071) 2.821 17.160 ( -6.170 0.000 4.917) 7.889 19.723 ( 7.334 -0.000 0.757) 7.373 19.925 ( 10.523 -0.000 1.061) 10.576 21.420 ( -6.054 0.000 1.394) 6.212 21.455 ( -6.510 0.000 -1.658) 6.717 22.778 ( -9.460 0.000 3.857) 10.216 22.975 ( -4.033 0.000 -6.997) 8.076 27.724 ( 0.023 -0.000 2.884) 2.884 28.310 ( -6.618 0.000 8.514) 10.784 29.469 ( 10.730 -0.000 -4.893) 11.794 29.721 ( -0.930 0.000 1.961) 2.171 29.789 ( -4.176 0.000 -2.769) 5.010 29.836 ( 1.247 -0.000 3.069) 3.313 30.842 ( 6.248 -0.000 -1.850) 6.516 31.031 ( -0.268 0.000 1.808) 1.828 31.142 ( 0.877 -0.000 -2.017) 2.199 31.162 ( 1.300 -0.000 0.300) 1.335 31.744 ( -4.714 0.000 1.954) 5.103 31.914 ( 3.014 -0.000 2.082) 3.663 31.991 ( -5.256 0.000 -3.040) 6.072 32.018 ( 3.002 -0.000 -2.247) 3.750 32.290 ( 5.301 -0.000 0.732) 5.351 32.302 ( 4.329 -0.000 -1.145) 4.478 32.526 ( 10.033 -0.000 3.318) 10.567 32.984 ( 9.274 -0.000 -15.373) 17.953 34.320 ( -1.797 0.000 -1.766) 2.520 34.326 ( -0.612 0.000 1.248) 1.390 34.988 ( -13.857 0.000 13.055) 19.038 35.429 ( -11.301 0.000 -1.375) 11.385 35.909 ( 11.623 -0.000 3.593) 12.166 35.919 ( 9.201 -0.000 -2.331) 9.492 37.334 ( -16.749 0.000 9.702) 19.356 37.405 ( -8.277 0.000 -10.396) 13.288 ======================= Grid point 104 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 5.047 -14.323 14.417) 20.940 1.589 ( 1.675 -7.007 21.791) 22.951 1.963 ( 10.865 -6.231 -8.758) 15.284 2.092 ( 14.741 -1.301 0.550) 14.809 2.578 ( 17.885 5.132 8.807) 20.586 2.676 ( -0.658 10.658 -0.649) 10.698 2.913 ( 7.102 8.886 -2.477) 11.642 2.969 ( -4.919 -3.971 4.736) 7.899 3.225 ( 3.531 -6.926 0.750) 7.810 3.299 ( -2.371 0.726 -10.407) 10.698 3.360 ( 7.428 -0.425 -0.779) 7.481 3.509 ( 1.522 -0.020 -2.178) 2.657 3.638 ( -0.332 -6.777 3.382) 7.581 3.671 ( 1.254 -3.171 2.971) 4.523 3.734 ( 1.022 -1.803 -8.034) 8.297 3.796 ( -2.277 -1.732 3.797) 4.754 4.013 ( 2.814 -1.386 -2.793) 4.200 4.191 ( 2.287 -0.567 -3.559) 4.268 4.219 ( -0.095 -0.282 -0.288) 0.414 4.311 ( 2.408 -4.018 3.858) 6.069 4.434 ( 2.405 2.020 -9.738) 10.232 4.575 ( 5.796 -2.344 -5.679) 8.446 4.580 ( 4.843 -1.893 2.483) 5.763 4.806 ( 1.381 -0.282 0.596) 1.531 4.890 ( -1.463 -2.095 -0.040) 2.555 4.975 ( 5.133 4.122 -2.960) 7.218 5.077 ( 0.414 4.296 5.165) 6.731 5.366 ( -1.920 -0.248 -2.816) 3.417 5.601 ( 2.084 1.818 1.169) 3.002 5.633 ( -5.882 2.302 -1.277) 6.444 5.719 ( -5.001 -0.889 -1.731) 5.367 5.841 ( -2.149 -3.095 -1.457) 4.039 5.909 ( -10.860 2.878 0.008) 11.235 6.193 ( -12.336 -7.558 -1.181) 14.515 7.008 ( -7.133 -2.579 1.328) 7.700 7.490 ( -1.473 3.764 3.727) 5.498 7.584 ( -1.132 2.653 2.069) 3.550 7.774 ( 1.852 3.179 -2.132) 4.252 7.917 ( -5.809 -1.505 9.745) 11.444 8.028 ( -6.615 -4.987 3.584) 9.026 8.169 ( -3.171 2.801 -0.190) 4.236 8.240 ( -5.312 -1.461 2.812) 6.185 8.715 ( -2.295 -0.907 -4.234) 4.901 8.821 ( 4.772 1.247 -1.371) 5.120 8.900 ( 1.124 2.058 -1.501) 2.784 9.101 ( 6.899 0.739 -3.007) 7.562 9.269 ( -8.305 3.457 2.842) 9.434 9.452 ( -5.370 1.895 -2.429) 6.192 9.727 ( -8.173 1.540 -1.892) 8.529 9.968 ( -5.159 -1.376 2.760) 6.010 10.077 ( -1.893 0.839 3.174) 3.790 10.483 ( 4.659 0.376 -3.474) 5.823 10.799 ( 0.105 -0.431 0.299) 0.535 10.829 ( 2.115 -0.855 2.470) 3.362 11.259 ( 8.763 -0.469 -4.082) 9.679 11.388 ( 8.635 -1.171 3.909) 9.550 11.824 ( -5.780 1.689 -1.576) 6.224 11.892 ( -3.926 0.302 0.469) 3.966 12.747 ( 2.578 4.885 -3.809) 6.710 12.827 ( -1.352 1.742 -1.550) 2.695 13.049 ( -6.484 -3.345 1.762) 7.506 13.080 ( -6.506 -0.429 -1.724) 6.744 13.545 ( 3.139 0.045 -2.356) 3.925 13.626 ( -0.217 -0.999 1.206) 1.581 13.847 ( 0.667 0.686 5.951) 6.027 14.224 ( -2.308 5.544 2.636) 6.558 14.664 ( 12.227 1.050 -3.046) 12.645 14.706 ( 7.237 2.262 -1.364) 7.704 14.752 ( 2.457 -0.416 0.956) 2.670 15.029 ( 2.214 -2.235 0.484) 3.183 15.521 ( 15.454 -1.423 5.436) 16.444 15.638 ( 10.827 2.257 0.082) 11.060 15.794 ( 6.273 0.240 1.815) 6.535 15.948 ( 4.672 10.350 -4.946) 12.386 16.396 ( -3.612 -0.641 0.326) 3.683 16.549 ( 1.753 -6.206 -9.111) 11.162 16.746 ( 1.351 0.511 4.091) 4.338 16.815 ( -1.776 -1.748 0.881) 2.643 16.960 ( -0.752 0.038 -0.449) 0.877 17.008 ( 3.669 -1.023 -2.654) 4.642 17.043 ( -1.287 -1.721 1.624) 2.694 17.104 ( -6.945 0.705 3.115) 7.644 19.782 ( 8.343 2.167 1.312) 8.719 20.009 ( 9.866 2.226 -0.042) 10.115 21.333 ( -7.792 2.672 2.315) 8.556 21.380 ( -7.436 0.200 -2.328) 7.794 22.731 ( -7.895 -2.793 4.532) 9.522 22.960 ( -2.897 -4.334 -7.120) 8.824 27.737 ( 0.081 -0.539 2.445) 2.505 28.217 ( -7.326 4.513 4.411) 9.669 29.542 ( 8.533 1.061 -5.442) 10.176 29.618 ( -1.345 6.629 1.115) 6.855 29.783 ( 0.498 -0.027 0.882) 1.014 29.883 ( 0.072 -2.566 2.623) 3.670 30.894 ( 6.437 0.495 -0.863) 6.514 31.083 ( 1.761 0.693 -1.342) 2.320 31.115 ( -0.391 -5.588 -0.884) 5.671 31.265 ( -2.227 -7.396 2.064) 7.995 31.725 ( -3.932 -2.263 1.965) 4.944 31.853 ( -0.153 6.442 -1.295) 6.573 31.941 ( -2.389 1.024 -0.418) 2.633 32.082 ( 2.005 -2.778 -1.179) 3.623 32.334 ( 5.382 -0.198 -1.646) 5.631 32.368 ( 5.728 -1.431 0.301) 5.911 32.632 ( 7.387 -0.351 5.181) 9.030 33.006 ( 4.019 0.153 -12.312) 12.952 34.327 ( -0.515 -2.581 0.822) 2.757 34.355 ( -0.524 -3.909 -1.425) 4.194 34.878 ( -11.500 2.490 11.956) 16.774 35.339 ( -11.739 -2.794 -3.905) 12.683 35.995 ( 10.877 1.522 -3.116) 11.416 36.016 ( 10.414 2.006 5.967) 12.169 36.957 ( -6.522 21.384 0.120) 22.357 37.382 ( -10.743 -1.472 -3.101) 11.278 ======================= Grid point 105 (45/95) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 1.504 -14.269 10.719) 17.910 1.830 ( 2.492 -13.090 12.433) 18.225 2.158 ( 8.127 -6.590 -0.565) 10.479 2.194 ( 2.536 -1.792 -2.305) 3.867 2.483 ( 5.852 13.120 0.601) 14.379 2.648 ( 8.186 2.021 -0.548) 8.450 2.878 ( 8.880 6.559 5.736) 12.441 2.979 ( -3.951 -1.529 1.938) 4.658 3.228 ( -0.745 2.773 -5.873) 6.537 3.338 ( -3.867 -4.058 -2.935) 6.327 3.354 ( 3.617 3.654 4.844) 7.064 3.504 ( 3.658 0.790 -4.451) 5.816 3.684 ( -7.722 1.949 6.198) 10.092 3.767 ( 1.113 -6.377 -7.904) 10.217 3.797 ( 2.375 -0.694 7.068) 7.489 3.872 ( 1.431 -10.314 -7.259) 12.693 4.047 ( -0.648 -2.616 2.303) 3.544 4.200 ( 1.514 -3.058 0.029) 3.412 4.332 ( 0.474 -0.558 -6.716) 6.755 4.370 ( 3.391 -5.592 -3.487) 7.411 4.440 ( 3.657 -4.717 0.255) 5.974 4.624 ( -0.837 -1.666 -2.153) 2.848 4.641 ( 3.278 3.325 5.686) 7.357 4.843 ( 3.795 3.840 -1.504) 5.604 4.897 ( 4.066 -1.675 -1.800) 4.752 4.935 ( 1.433 -0.330 -5.951) 6.130 5.056 ( 0.227 2.511 6.479) 6.952 5.324 ( -0.417 1.304 3.920) 4.152 5.480 ( -1.012 8.016 -4.224) 9.117 5.572 ( 0.950 2.720 -3.020) 4.173 5.735 ( -6.718 -4.657 1.692) 8.347 5.821 ( -2.293 -1.402 -5.183) 5.839 5.881 ( -2.611 -2.910 1.483) 4.182 6.200 ( -11.147 -6.453 -0.739) 12.901 7.035 ( -3.343 -6.149 2.203) 7.337 7.422 ( -0.788 3.976 2.575) 4.802 7.548 ( -1.254 -0.593 -0.449) 1.458 7.702 ( -1.514 3.585 -2.501) 4.626 7.918 ( -2.741 0.365 7.469) 7.964 8.028 ( 0.148 4.248 -3.878) 5.754 8.152 ( -4.992 -5.881 8.087) 11.176 8.236 ( -5.250 -3.264 2.910) 6.833 8.680 ( 0.430 2.732 -4.379) 5.179 8.816 ( 2.544 3.144 -3.428) 5.302 8.892 ( 2.076 -0.034 0.822) 2.233 9.107 ( 1.689 5.323 -0.256) 5.590 9.138 ( -5.209 2.943 -1.107) 6.085 9.363 ( -3.734 2.056 -2.023) 4.718 9.640 ( -6.301 -0.525 -0.732) 6.365 9.970 ( -2.217 -2.349 2.034) 3.817 10.039 ( -2.311 2.002 2.307) 3.830 10.491 ( 1.683 1.313 -2.662) 3.412 10.801 ( -1.541 -0.599 2.162) 2.722 10.891 ( 5.044 -1.203 1.335) 5.355 11.322 ( 7.774 1.296 -3.924) 8.804 11.471 ( 4.132 0.377 2.665) 4.932 11.749 ( -3.402 1.189 -0.924) 3.720 11.865 ( -2.729 -0.580 0.408) 2.820 12.694 ( 5.645 4.567 -4.268) 8.423 12.755 ( -4.275 2.364 1.659) 5.159 13.008 ( -6.836 -0.874 -0.411) 6.904 13.078 ( -3.272 -3.200 -3.370) 5.683 13.573 ( 3.773 -0.263 -2.116) 4.333 13.650 ( -0.763 -1.747 1.496) 2.423 13.845 ( -0.656 2.102 8.746) 9.019 14.126 ( -1.445 4.525 2.507) 5.372 14.692 ( 2.903 1.213 -2.682) 4.134 14.740 ( 7.532 2.836 1.110) 8.124 14.785 ( 8.601 2.426 -2.593) 9.305 15.098 ( 3.961 -1.694 -1.506) 4.564 15.626 ( 5.357 2.865 4.402) 7.502 15.683 ( 8.868 3.368 -1.171) 9.558 15.760 ( 0.102 7.917 -1.979) 8.161 15.882 ( 5.077 2.462 2.630) 6.225 16.419 ( -1.378 -4.097 2.215) 4.858 16.618 ( 2.162 -3.213 -8.309) 9.167 16.746 ( -0.882 1.404 5.160) 5.420 16.855 ( -0.655 -3.997 0.579) 4.091 16.951 ( -0.228 0.438 -0.936) 1.058 17.030 ( -6.292 0.742 0.433) 6.350 17.059 ( 1.872 -2.522 -2.564) 4.055 17.073 ( 0.803 -1.274 1.357) 2.027 19.813 ( 6.927 3.591 2.348) 8.148 20.032 ( 7.483 4.355 -2.156) 8.922 21.220 ( -7.659 2.403 2.948) 8.551 21.307 ( -6.023 -0.312 -2.936) 6.708 22.743 ( -6.196 -4.764 5.558) 9.590 23.011 ( -0.898 -5.883 -6.768) 9.012 27.758 ( 0.082 -1.082 2.293) 2.537 28.076 ( -5.008 5.679 0.671) 7.601 29.517 ( -0.972 3.615 -0.961) 3.865 29.580 ( 4.352 0.602 -2.506) 5.058 29.790 ( 3.953 2.383 1.575) 4.877 29.920 ( -0.581 -1.045 1.816) 2.174 30.937 ( 4.922 0.738 0.060) 4.977 31.077 ( 1.867 1.170 -0.528) 2.266 31.227 ( -0.012 -7.287 -1.521) 7.444 31.368 ( -5.052 -8.458 2.576) 10.183 31.743 ( 0.059 5.693 -1.103) 5.799 31.759 ( -1.438 -4.120 2.063) 4.826 31.892 ( -2.210 2.185 -0.279) 3.120 32.135 ( 2.216 -2.157 -1.268) 3.342 32.388 ( 4.711 -0.682 -2.183) 5.237 32.436 ( 4.877 -0.047 0.460) 4.899 32.683 ( 2.725 1.859 4.156) 5.306 32.992 ( 0.738 0.506 -8.240) 8.288 34.383 ( -0.215 -3.680 2.282) 4.335 34.448 ( 0.461 -8.086 -2.525) 8.484 34.771 ( -8.663 2.559 10.783) 14.067 35.262 ( -11.447 -2.405 -5.352) 12.864 36.015 ( 4.700 6.088 2.420) 8.063 36.086 ( 12.901 3.408 0.454) 13.352 36.599 ( 3.094 18.338 -1.621) 18.668 37.242 ( -11.084 4.154 -2.166) 12.033 ======================= Grid point 106 (46/95) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -2.905 -6.387 5.648) 9.008 2.076 ( 2.346 -9.095 4.444) 10.391 2.173 ( -1.233 2.713 9.758) 10.202 2.347 ( 1.792 -3.768 -6.785) 7.965 2.389 ( 12.625 3.136 3.853) 13.567 2.675 ( 3.536 1.516 -0.987) 3.972 2.788 ( 4.114 14.108 7.133) 16.335 3.000 ( -3.873 -5.314 0.855) 6.631 3.200 ( 1.116 2.029 1.349) 2.680 3.311 ( -0.553 -4.661 -9.357) 10.468 3.389 ( 1.171 0.916 6.261) 6.435 3.490 ( 0.849 4.353 -0.099) 4.437 3.589 ( -7.431 -0.424 5.588) 9.308 3.807 ( 4.685 3.273 -4.070) 7.016 3.848 ( -0.899 -4.831 -6.833) 8.416 3.967 ( 2.413 -2.476 -7.612) 8.360 4.124 ( -6.420 -4.174 2.283) 7.991 4.229 ( -0.485 0.859 3.405) 3.545 4.294 ( -4.952 -2.282 -4.769) 7.244 4.464 ( -4.482 -5.442 2.491) 7.477 4.560 ( 1.922 -1.069 0.366) 2.229 4.620 ( 0.221 -0.849 0.018) 0.877 4.672 ( 6.874 -2.630 2.782) 7.868 4.726 ( -1.151 6.267 -5.908) 8.689 4.936 ( 1.966 4.679 -2.240) 5.548 4.984 ( 0.968 -3.435 -1.363) 3.820 5.089 ( 7.045 -2.711 5.473) 9.324 5.327 ( 3.055 0.622 3.457) 4.656 5.370 ( 2.647 4.415 -6.099) 7.981 5.587 ( 6.385 -0.391 -0.297) 6.403 5.735 ( -5.438 -2.842 -0.692) 6.175 5.812 ( -1.660 -0.791 -3.872) 4.287 5.914 ( -1.241 -3.417 1.170) 3.819 6.188 ( -11.137 -5.408 -1.486) 12.469 7.142 ( 0.674 -6.286 1.423) 6.480 7.375 ( -1.482 -0.047 0.274) 1.508 7.595 ( 3.161 -4.000 -1.384) 5.283 7.639 ( -2.232 1.076 -0.694) 2.573 7.884 ( 1.404 5.544 1.916) 6.032 7.923 ( -2.357 4.009 1.365) 4.846 8.237 ( -4.377 -4.807 5.884) 8.769 8.280 ( -5.019 -8.327 2.753) 10.105 8.602 ( 1.657 7.091 -0.143) 7.283 8.775 ( 2.500 2.706 -4.504) 5.819 8.916 ( -0.125 1.140 0.575) 1.283 8.986 ( -3.376 5.696 0.799) 6.670 9.055 ( -2.357 1.879 -0.481) 3.053 9.322 ( 0.258 0.368 -3.568) 3.596 9.640 ( -2.531 -4.599 1.013) 5.347 9.983 ( -3.298 -0.339 -3.095) 4.535 10.027 ( 2.937 -1.267 5.883) 6.697 10.460 ( -0.712 1.767 -2.770) 3.362 10.807 ( -1.857 -0.982 3.581) 4.151 10.951 ( 5.371 0.423 -0.233) 5.393 11.330 ( 5.901 4.475 -3.233) 8.081 11.452 ( -1.915 3.767 1.695) 4.553 11.724 ( -1.055 -0.932 -0.271) 1.433 11.859 ( -2.315 -1.311 0.170) 2.666 12.680 ( 6.785 2.859 -3.479) 8.143 12.708 ( -1.850 0.289 1.610) 2.469 12.969 ( -5.170 -1.498 -0.796) 5.441 13.078 ( -4.127 -2.601 -3.950) 6.277 13.609 ( 3.751 -0.279 -1.890) 4.210 13.668 ( -1.899 -1.288 0.950) 2.483 13.822 ( 0.074 3.019 10.384) 10.815 14.065 ( -2.370 1.958 3.798) 4.886 14.699 ( 4.074 0.904 -2.586) 4.909 14.752 ( 5.731 2.892 1.176) 6.526 14.823 ( 10.560 3.451 -2.633) 11.417 15.127 ( 0.864 0.543 -3.094) 3.258 15.568 ( -1.902 7.002 1.846) 7.487 15.615 ( -2.519 7.228 0.186) 7.657 15.685 ( 6.398 4.660 -1.865) 8.132 15.855 ( -0.451 5.049 2.010) 5.453 16.493 ( 0.981 -3.445 2.165) 4.185 16.663 ( 0.904 -1.864 -2.388) 3.162 16.722 ( -1.050 0.288 2.229) 2.480 16.919 ( -1.357 -0.000 1.179) 1.798 16.930 ( 0.026 -2.055 -0.771) 2.195 16.975 ( -3.877 -1.007 -3.338) 5.214 17.098 ( -0.932 -1.924 0.895) 2.317 17.111 ( 2.883 -0.948 -1.389) 3.337 19.801 ( 3.335 4.695 2.837) 6.419 19.997 ( 4.206 5.455 -3.379) 7.672 21.153 ( -4.854 -0.984 3.048) 5.815 21.273 ( -2.750 -1.940 -3.205) 4.647 22.794 ( -4.631 -5.415 6.113) 9.388 23.087 ( 1.021 -5.219 -6.400) 8.321 27.786 ( 0.136 -1.449 1.866) 2.367 27.955 ( -2.565 4.464 -0.573) 5.180 29.465 ( -0.061 2.014 0.293) 2.036 29.602 ( 1.538 -0.570 -2.130) 2.688 29.787 ( 4.643 3.247 1.154) 5.783 29.905 ( -2.595 1.555 0.585) 3.082 30.958 ( 2.760 1.278 0.563) 3.093 31.066 ( 0.669 1.677 -0.036) 1.806 31.346 ( 1.425 -6.289 0.425) 6.463 31.461 ( -5.167 -8.125 0.065) 9.629 31.673 ( 2.321 3.770 0.897) 4.517 31.828 ( -1.854 2.648 1.468) 3.550 31.843 ( -0.195 -5.852 0.293) 5.862 32.199 ( 3.516 -2.815 -2.379) 5.094 32.420 ( 3.010 0.611 -2.249) 3.807 32.456 ( 2.113 1.596 -0.193) 2.655 32.656 ( 0.160 3.579 2.985) 4.663 32.956 ( -1.148 1.532 -5.705) 6.017 34.454 ( -0.573 -4.018 4.341) 5.943 34.591 ( 0.691 -6.459 -0.763) 6.541 34.713 ( -5.485 -2.915 8.244) 10.322 35.166 ( -9.553 0.072 -6.776) 11.712 35.911 ( 1.949 9.804 3.975) 10.757 36.131 ( 11.291 5.334 -5.997) 13.853 36.421 ( 8.983 9.762 2.348) 13.472 37.050 ( -12.558 4.284 -1.682) 13.375 ======================= Grid point 107 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -4.415 10.276 3.889) 11.841 2.091 ( -2.443 8.266 -5.105) 10.017 2.140 ( -5.537 3.633 14.567) 16.002 2.385 ( 6.695 0.773 0.991) 6.811 2.501 ( 6.362 -0.439 3.575) 7.311 2.608 ( -0.577 9.332 0.570) 9.367 2.769 ( 6.122 -9.532 6.939) 13.285 3.097 ( -2.173 -4.074 -1.580) 4.880 3.143 ( -1.115 0.647 3.248) 3.494 3.264 ( -2.754 8.422 1.156) 8.936 3.392 ( 2.762 7.128 3.259) 8.310 3.464 ( 0.104 -4.287 -2.742) 5.090 3.612 ( -4.400 -5.580 3.329) 7.847 3.777 ( 3.399 5.168 -0.911) 6.252 3.856 ( 1.620 0.507 -11.407) 11.532 3.976 ( -7.945 2.626 0.904) 8.417 4.009 ( 0.749 -2.027 -7.756) 8.051 4.250 ( -4.232 -2.363 -8.707) 9.965 4.326 ( 1.158 -3.648 4.682) 6.047 4.484 ( -3.243 4.083 3.178) 6.106 4.516 ( -0.950 0.869 -0.325) 1.328 4.599 ( -6.073 0.783 0.274) 6.130 4.685 ( 3.977 0.596 3.630) 5.418 4.772 ( 3.481 -1.461 -4.197) 5.645 4.866 ( 0.362 2.197 -2.279) 3.186 5.017 ( 2.501 -0.824 -1.709) 3.139 5.205 ( -3.016 -4.505 3.486) 6.445 5.280 ( 5.831 7.932 -0.698) 9.869 5.451 ( 8.890 -0.846 -0.981) 8.984 5.624 ( -1.946 -4.396 0.811) 4.876 5.762 ( 3.993 -1.568 -1.550) 4.562 5.845 ( 1.833 -4.905 -2.135) 5.655 5.988 ( 1.629 -5.528 -0.212) 5.767 6.173 ( -10.928 -6.573 -2.653) 13.026 7.222 ( 1.607 -1.981 0.632) 2.628 7.399 ( -0.121 -2.804 -3.907) 4.811 7.612 ( -2.328 0.704 3.455) 4.225 7.709 ( 4.396 -3.545 -1.431) 5.826 7.789 ( 2.150 4.091 0.129) 4.623 7.900 ( -2.951 -2.708 1.778) 4.382 8.289 ( -2.971 -5.176 5.222) 7.930 8.385 ( -2.473 -5.087 -0.139) 5.658 8.511 ( 0.380 3.147 6.090) 6.866 8.745 ( 2.733 2.977 -3.942) 5.645 8.804 ( -4.986 6.364 0.380) 8.093 8.872 ( -1.834 5.018 -0.843) 5.408 9.101 ( 1.089 -5.212 1.844) 5.635 9.325 ( 0.325 -1.947 -3.693) 4.188 9.741 ( 0.937 -7.285 2.368) 7.717 9.957 ( -1.780 -0.674 -1.813) 2.629 10.115 ( 3.857 -3.133 3.979) 6.366 10.411 ( -1.946 1.467 -3.202) 4.024 10.814 ( -1.572 -0.595 3.450) 3.837 10.971 ( 4.571 2.345 -2.255) 5.611 11.272 ( 4.127 7.024 -1.848) 8.354 11.337 ( -6.194 5.488 1.791) 8.467 11.758 ( 1.260 -2.910 0.297) 3.185 11.863 ( -1.979 -1.838 -0.512) 2.749 12.691 ( -2.599 -1.161 2.128) 3.554 12.721 ( 8.242 1.071 -4.946) 9.671 12.946 ( -5.081 -1.559 0.795) 5.374 13.088 ( -2.199 -4.104 -3.699) 5.946 13.628 ( 1.775 1.113 -0.838) 2.257 13.665 ( -2.250 -0.876 0.237) 2.426 13.819 ( 2.387 2.280 10.270) 10.787 14.035 ( -3.437 -0.214 4.320) 5.525 14.716 ( 7.805 3.739 -1.423) 8.771 14.775 ( 4.113 0.201 1.381) 4.344 14.845 ( 7.886 3.727 -3.019) 9.229 15.072 ( -4.260 3.062 -3.361) 6.230 15.381 ( -6.198 10.324 0.577) 12.055 15.472 ( -3.115 7.210 -0.719) 7.887 15.642 ( 4.356 5.901 -1.100) 7.417 15.729 ( -4.235 7.322 1.309) 8.559 16.533 ( 1.805 1.534 2.938) 3.774 16.668 ( -3.791 -1.827 3.576) 5.522 16.767 ( 3.477 -2.820 -2.552) 5.153 16.874 ( -1.796 1.373 -0.188) 2.268 16.935 ( -0.904 0.776 -2.861) 3.099 16.999 ( -0.103 -2.849 -3.453) 4.478 17.120 ( -0.132 -1.317 0.911) 1.607 17.144 ( 0.643 -1.319 0.393) 1.519 19.744 ( 0.178 4.685 2.694) 5.408 19.921 ( 1.711 5.570 -3.891) 7.007 21.179 ( -1.903 -4.617 2.796) 5.723 21.302 ( 0.411 -3.693 -3.011) 4.783 22.864 ( -3.009 -5.163 5.893) 8.392 23.158 ( 2.024 -3.591 -6.057) 7.326 27.812 ( -0.154 -0.589 1.534) 1.650 27.885 ( -0.833 1.330 -0.465) 1.637 29.444 ( 0.878 1.777 2.141) 2.918 29.610 ( 0.023 -0.027 -1.823) 1.823 29.775 ( 3.628 3.405 0.181) 4.979 29.837 ( -4.004 1.899 -0.588) 4.470 30.952 ( 0.897 1.724 1.313) 2.345 31.036 ( -0.145 2.158 -0.175) 2.170 31.442 ( 0.089 -3.454 2.190) 4.090 31.541 ( -0.935 -5.028 -0.686) 5.160 31.666 ( 3.149 0.927 0.430) 3.310 31.776 ( -3.476 -0.007 0.228) 3.484 31.958 ( 2.301 -5.747 2.195) 6.568 32.254 ( 1.373 -0.556 -2.339) 2.769 32.405 ( 0.812 2.921 -1.255) 3.281 32.437 ( 0.635 1.354 -2.744) 3.125 32.619 ( 2.501 1.693 1.085) 3.209 32.875 ( -2.960 4.229 -5.407) 7.476 34.505 ( -0.791 0.547 7.592) 7.653 34.630 ( -3.319 -3.667 8.898) 10.180 34.864 ( 0.847 -12.626 -1.075) 12.700 35.044 ( -5.401 3.575 -8.041) 10.325 35.795 ( 1.890 7.126 3.531) 8.174 36.055 ( 3.200 8.861 -6.410) 11.395 36.471 ( 14.952 -0.208 3.088) 15.269 36.871 ( -14.306 1.164 -1.734) 14.458 ======================= Grid point 108 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -1.179 17.456 6.528) 18.674 1.893 ( 0.511 11.396 -5.401) 12.622 1.939 ( -8.726 15.995 21.596) 28.255 2.364 ( -3.210 7.197 -2.113) 8.159 2.429 ( 0.954 6.035 -2.221) 6.501 2.689 ( 6.821 -6.831 -1.434) 9.759 2.902 ( -5.709 5.688 5.891) 9.982 3.037 ( -1.970 5.140 2.905) 6.224 3.080 ( 4.082 1.646 3.966) 5.925 3.241 ( 0.813 2.533 5.289) 5.920 3.296 ( 4.183 3.904 6.154) 8.403 3.529 ( -0.298 -3.684 -4.320) 5.685 3.582 ( -1.035 2.496 -2.298) 3.547 3.750 ( -0.879 -2.401 0.721) 2.656 3.849 ( 7.110 3.256 -13.528) 15.626 3.961 ( -0.646 -2.552 -2.314) 3.505 3.999 ( -2.443 -0.283 -0.598) 2.531 4.248 ( -3.158 -4.253 -9.563) 10.932 4.297 ( -2.613 8.129 2.600) 8.925 4.412 ( 1.950 1.064 -1.924) 2.939 4.514 ( -1.070 1.855 2.232) 3.093 4.552 ( -3.607 -1.421 3.736) 5.384 4.703 ( 2.684 0.468 6.039) 6.625 4.753 ( 1.847 3.190 -6.589) 7.550 4.910 ( -0.321 -6.104 -4.788) 7.764 5.028 ( -0.927 2.130 2.809) 3.645 5.151 ( 1.158 6.716 -1.148) 6.911 5.256 ( -0.985 0.154 -4.080) 4.201 5.434 ( 2.478 3.226 3.389) 5.295 5.774 ( 1.961 -8.220 -1.344) 8.557 5.829 ( 3.242 -2.864 -2.372) 4.934 5.944 ( 0.583 -4.623 -0.278) 4.668 6.095 ( -6.494 -7.620 -0.638) 10.032 6.237 ( 3.138 -8.881 -3.991) 10.230 7.264 ( 2.081 -0.809 0.411) 2.270 7.409 ( -0.538 -0.698 -4.628) 4.711 7.572 ( -2.147 2.682 2.081) 4.016 7.685 ( 1.717 3.413 -1.804) 4.225 7.884 ( 2.937 -4.248 3.892) 6.467 7.961 ( -4.652 -9.009 -1.237) 10.214 8.359 ( -1.172 3.114 7.824) 8.502 8.402 ( 1.590 -7.164 6.178) 9.593 8.592 ( -2.231 -7.623 1.938) 8.176 8.671 ( -1.548 3.870 -1.655) 4.485 8.704 ( 1.225 3.760 -0.645) 4.007 8.790 ( 0.161 3.023 -1.382) 3.328 9.203 ( -0.175 -5.411 2.840) 6.114 9.380 ( -0.285 -5.552 -3.854) 6.765 9.885 ( 0.344 -7.494 2.416) 7.881 9.966 ( 0.823 -1.807 -1.539) 2.512 10.194 ( -0.378 -1.638 4.033) 4.370 10.367 ( -0.181 0.680 -3.650) 3.717 10.815 ( -1.487 0.001 1.919) 2.428 10.957 ( 3.790 2.487 -3.888) 5.971 11.179 ( -4.370 6.541 1.217) 7.960 11.191 ( 2.619 6.874 0.798) 7.400 11.834 ( 1.474 -3.908 0.983) 4.291 11.886 ( -1.542 -3.433 -1.122) 3.927 12.685 ( -4.745 -2.100 -0.022) 5.189 12.774 ( 6.928 -0.170 -4.618) 8.328 12.957 ( -1.462 -3.464 4.180) 5.622 13.144 ( -0.403 -4.755 -3.075) 5.677 13.613 ( 0.680 1.757 0.911) 2.093 13.647 ( -2.992 0.234 -0.349) 3.021 13.832 ( 0.368 2.169 10.115) 10.351 14.033 ( -2.196 -1.527 1.927) 3.297 14.674 ( -0.033 7.571 1.483) 7.715 14.808 ( -0.027 5.238 -3.560) 6.333 14.825 ( 2.675 -0.870 0.627) 2.882 14.957 ( -2.422 3.311 -1.174) 4.266 15.169 ( 4.093 11.460 1.442) 12.254 15.324 ( -2.219 5.973 -5.108) 8.166 15.555 ( -3.246 8.056 0.821) 8.724 15.591 ( 3.357 5.278 -0.228) 6.259 16.516 ( 0.299 2.024 4.722) 5.146 16.678 ( -1.651 -1.117 1.699) 2.619 16.818 ( 1.659 0.552 -0.734) 1.897 16.857 ( -0.919 -1.457 -2.920) 3.390 16.906 ( 1.128 1.059 -1.999) 2.528 17.007 ( 0.340 0.325 -3.959) 3.987 17.140 ( -1.546 -1.258 1.475) 2.480 17.180 ( 0.686 -2.052 1.057) 2.408 19.677 ( -0.820 3.606 2.042) 4.224 19.838 ( 1.425 4.437 -4.067) 6.185 21.262 ( -1.499 -5.861 2.154) 6.422 21.375 ( 1.750 -4.432 -2.309) 5.295 22.936 ( -1.971 -4.350 4.900) 6.842 23.205 ( 1.884 -1.774 -5.613) 6.181 27.798 ( -1.622 1.335 3.017) 3.676 27.904 ( 1.135 -3.070 -1.298) 3.520 29.424 ( 1.282 3.025 4.335) 5.439 29.589 ( -0.536 1.851 -1.660) 2.544 29.735 ( -1.698 1.743 0.002) 2.434 29.804 ( 0.864 -0.112 -2.178) 2.346 30.924 ( -0.655 2.597 1.989) 3.336 31.000 ( 0.380 1.759 -0.748) 1.949 31.486 ( -0.485 -1.768 3.658) 4.092 31.570 ( 0.430 2.426 3.683) 4.431 31.694 ( 1.335 -2.369 -3.889) 4.746 31.776 ( -2.366 -2.802 -1.914) 4.136 32.076 ( 1.940 -4.602 3.005) 5.828 32.225 ( -2.570 1.693 -0.818) 3.184 32.346 ( 0.836 4.346 -1.179) 4.580 32.397 ( 0.383 3.149 -1.049) 3.341 32.645 ( -4.180 -1.564 -7.766) 8.957 32.753 ( 6.934 6.554 -4.819) 10.690 34.470 ( -0.792 4.245 8.272) 9.331 34.741 ( -4.987 -9.268 13.239) 16.913 34.902 ( -1.653 6.466 -7.779) 10.249 35.081 ( 4.721 -10.430 -1.559) 11.554 35.728 ( -1.277 3.185 3.644) 5.005 35.928 ( 2.945 6.606 -3.253) 7.931 36.682 ( -2.081 -11.260 0.513) 11.462 36.752 ( 1.520 -0.565 -2.061) 2.622 ======================= Grid point 109 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 12.139 15.047 10.431) 21.967 1.638 ( -2.845 19.317 23.140) 30.278 1.739 ( 3.869 8.449 -2.107) 9.528 2.034 ( -8.020 18.792 -3.091) 20.664 2.371 ( 3.129 11.421 -2.999) 12.215 2.673 ( -0.900 4.494 -6.126) 7.651 2.798 ( -1.241 4.875 6.544) 8.254 2.941 ( 1.336 3.098 6.353) 7.194 3.157 ( -0.106 -4.042 3.596) 5.411 3.203 ( -0.689 0.282 4.280) 4.344 3.365 ( 4.556 -0.384 4.264) 6.252 3.503 ( 3.389 2.307 -3.566) 5.434 3.621 ( 6.058 1.311 -6.900) 9.275 3.735 ( -2.296 0.667 -5.757) 6.234 3.820 ( 2.890 3.283 -0.152) 4.376 3.985 ( 2.496 -0.995 -4.334) 5.099 4.015 ( 2.692 -1.082 1.138) 3.116 4.114 ( -3.120 8.692 -2.272) 9.510 4.273 ( -1.983 -1.664 -2.291) 3.457 4.394 ( -1.682 -0.220 -5.898) 6.138 4.453 ( 1.437 4.514 6.134) 7.750 4.558 ( -4.431 0.251 2.162) 4.937 4.705 ( 4.890 2.943 -5.194) 7.716 4.779 ( 2.820 -2.875 0.473) 4.055 4.896 ( -5.372 7.834 1.616) 9.636 4.958 ( -2.314 -0.110 -0.439) 2.358 5.148 ( 1.915 -6.395 -0.840) 6.729 5.212 ( 0.460 2.759 -5.210) 5.913 5.458 ( 3.056 -0.397 3.765) 4.866 5.855 ( -1.222 -1.622 -9.936) 10.141 5.882 ( -1.647 -3.772 0.539) 4.151 5.998 ( -2.398 -3.124 1.380) 4.173 6.147 ( -8.806 -8.602 -3.465) 12.789 6.417 ( 5.501 -6.199 -2.712) 8.720 7.284 ( 0.928 0.277 0.234) 0.996 7.405 ( -1.754 -1.559 -4.134) 4.754 7.511 ( -0.428 2.840 2.245) 3.645 7.665 ( 1.956 0.600 -1.960) 2.833 7.938 ( -4.446 -2.706 3.200) 6.110 8.073 ( -1.638 -7.018 -1.176) 7.302 8.363 ( -5.159 -2.376 15.860) 16.847 8.541 ( -3.901 -1.607 2.383) 4.846 8.593 ( 3.178 -0.349 7.183) 7.862 8.638 ( -1.683 -4.090 -2.990) 5.338 8.775 ( 4.984 -2.023 -0.212) 5.383 8.780 ( 4.489 -3.104 -3.106) 6.279 9.296 ( -1.798 -6.017 2.690) 6.831 9.458 ( -1.638 -5.914 -4.144) 7.405 9.960 ( -5.305 -4.634 -0.502) 7.062 10.043 ( 4.793 -2.909 0.306) 5.616 10.164 ( -6.466 1.146 2.765) 7.125 10.377 ( 3.068 -0.221 -2.422) 3.915 10.786 ( -1.972 1.374 -0.410) 2.438 10.952 ( -0.731 0.313 -0.660) 1.034 11.040 ( 0.872 5.601 -2.299) 6.117 11.144 ( 8.202 6.271 3.015) 10.756 11.904 ( -1.662 -4.219 1.275) 4.711 11.936 ( -2.280 -4.632 -0.999) 5.258 12.681 ( -4.505 -3.100 -1.373) 5.638 12.837 ( 4.004 -2.280 -2.454) 5.220 13.047 ( 2.638 -4.130 5.141) 7.102 13.210 ( -0.791 -4.714 -1.677) 5.066 13.581 ( -1.086 2.507 -0.190) 2.739 13.609 ( -2.637 0.737 1.264) 3.015 13.798 ( -3.203 3.096 8.220) 9.350 14.036 ( -2.308 -0.714 0.400) 2.448 14.494 ( -7.758 7.392 0.923) 10.755 14.632 ( -5.285 7.488 -1.313) 9.259 14.855 ( -0.426 -0.467 1.681) 1.796 14.968 ( 12.280 3.281 0.896) 12.742 15.137 ( 16.970 6.092 0.778) 18.047 15.229 ( 2.611 2.764 -6.799) 7.790 15.395 ( -2.432 6.939 0.078) 7.354 15.564 ( 6.295 3.781 0.218) 7.347 16.511 ( -0.851 -0.039 4.432) 4.513 16.680 ( -0.465 -0.040 1.067) 1.165 16.797 ( 1.691 2.811 -0.354) 3.300 16.824 ( -2.604 1.209 -6.612) 7.208 16.939 ( 2.655 -1.351 1.468) 3.321 16.988 ( 0.778 1.117 -2.931) 3.232 17.141 ( -2.718 -0.538 3.042) 4.114 17.218 ( -0.377 -1.772 0.547) 1.893 19.628 ( -0.117 2.260 1.346) 2.633 19.787 ( 2.774 2.664 -4.074) 5.603 21.343 ( -2.422 -5.317 1.489) 6.029 21.455 ( 1.016 -3.969 -1.706) 4.438 22.986 ( -3.099 -2.688 3.469) 5.372 23.215 ( 0.434 0.239 -5.177) 5.201 27.768 ( -2.828 1.012 4.651) 5.536 27.989 ( 2.735 -5.460 -1.123) 6.209 29.405 ( 2.536 2.587 6.236) 7.212 29.529 ( -0.994 3.455 -1.647) 3.954 29.713 ( -2.015 -1.347 -0.584) 2.494 29.829 ( 2.654 -1.281 -2.342) 3.764 30.867 ( -1.172 3.491 1.842) 4.118 30.987 ( 1.670 0.689 -1.281) 2.215 31.488 ( -2.239 3.898 4.871) 6.628 31.547 ( 0.662 -0.334 5.858) 5.905 31.714 ( -2.187 0.028 -5.977) 6.365 31.780 ( -1.106 -1.742 -5.568) 5.938 32.139 ( -2.082 -1.538 3.254) 4.158 32.182 ( -2.180 0.101 -0.457) 2.229 32.282 ( 1.749 4.058 -1.762) 4.757 32.347 ( 2.028 4.682 -1.508) 5.320 32.488 ( -7.185 5.265 -3.504) 9.571 32.808 ( 15.295 1.762 -12.903) 20.088 34.415 ( -0.630 4.050 7.051) 8.155 34.717 ( -2.379 8.013 -6.998) 10.901 34.920 ( -7.607 -10.434 15.758) 20.373 35.295 ( 10.144 -7.469 1.501) 12.687 35.678 ( -4.304 0.279 2.782) 5.133 35.898 ( 7.110 3.230 0.589) 7.832 36.655 ( -22.336 -12.500 -1.042) 25.617 37.056 ( 16.894 -13.569 -1.236) 21.704 ======================= Grid point 113 (50/95) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 3.380 -0.000 15.170) 15.542 1.611 ( 2.925 -0.000 18.241) 18.474 1.973 ( 8.621 -0.000 -8.720) 12.262 2.211 ( 6.573 -0.000 6.930) 9.552 2.670 ( -1.074 0.000 2.050) 2.314 2.898 ( -0.408 0.000 2.661) 2.693 2.903 ( 7.316 -0.000 6.375) 9.704 3.048 ( -0.026 0.000 2.532) 2.532 3.070 ( 0.785 -0.000 -20.668) 20.682 3.373 ( 4.908 -0.000 2.176) 5.369 3.432 ( 14.464 -0.000 0.064) 14.464 3.516 ( 2.315 -0.000 -3.473) 4.174 3.565 ( -3.060 0.000 3.049) 4.320 3.651 ( -1.454 0.000 1.114) 1.831 3.713 ( 0.858 -0.000 -6.857) 6.910 3.779 ( -4.107 0.000 10.979) 11.722 3.998 ( 0.190 -0.000 -4.360) 4.364 4.155 ( -1.626 0.000 -0.863) 1.841 4.226 ( 4.145 -0.000 -6.432) 7.652 4.378 ( 10.743 -0.000 6.022) 12.316 4.416 ( -2.126 0.000 -15.493) 15.638 4.592 ( 2.855 -0.000 3.071) 4.192 4.645 ( 11.833 -0.000 -3.510) 12.342 4.839 ( 2.291 -0.000 -3.182) 3.921 4.848 ( -0.611 0.000 7.602) 7.627 5.037 ( 2.577 -0.000 -2.266) 3.432 5.183 ( 0.088 -0.000 -1.408) 1.411 5.328 ( 1.634 -0.000 4.285) 4.585 5.578 ( -2.263 0.000 -0.157) 2.269 5.589 ( -5.815 0.000 1.939) 6.130 5.733 ( -0.605 0.000 -0.582) 0.840 5.790 ( 1.061 -0.000 -5.631) 5.730 5.862 ( -10.156 0.000 -0.088) 10.156 5.959 ( -13.562 0.000 -1.283) 13.622 6.927 ( -6.774 0.000 4.873) 8.345 7.498 ( -3.569 0.000 2.403) 4.302 7.634 ( 0.147 -0.000 1.927) 1.932 7.787 ( -2.848 0.000 0.696) 2.932 7.861 ( -7.829 0.000 8.025) 11.211 7.908 ( -5.847 0.000 1.011) 5.934 8.195 ( 2.439 -0.000 -3.218) 4.038 8.198 ( -3.027 0.000 3.012) 4.270 8.681 ( -0.675 0.000 -3.356) 3.424 8.876 ( 3.985 -0.000 -3.257) 5.147 8.933 ( 3.689 -0.000 -0.994) 3.820 9.149 ( 5.359 -0.000 -6.560) 8.470 9.236 ( -7.146 0.000 4.883) 8.655 9.404 ( -6.442 0.000 -2.096) 6.774 9.673 ( -6.457 0.000 -0.851) 6.513 9.891 ( -6.682 0.000 -0.618) 6.710 10.085 ( -1.974 0.000 7.072) 7.342 10.520 ( 4.115 -0.000 -4.981) 6.461 10.799 ( 0.058 -0.000 1.616) 1.617 10.847 ( 2.381 -0.000 2.469) 3.430 11.330 ( 9.661 -0.000 -3.769) 10.370 11.471 ( 8.084 -0.000 3.290) 8.728 11.784 ( -4.885 0.000 -1.478) 5.104 11.851 ( -4.767 0.000 0.678) 4.815 12.787 ( -1.498 0.000 1.376) 2.034 12.864 ( 4.347 -0.000 -7.956) 9.066 12.947 ( -7.389 0.000 2.894) 7.936 13.012 ( -5.365 0.000 -2.087) 5.757 13.574 ( 4.781 -0.000 -3.820) 6.120 13.609 ( -1.493 0.000 1.241) 1.941 13.878 ( 0.631 -0.000 6.675) 6.704 14.231 ( -6.406 0.000 3.763) 7.430 14.707 ( -0.757 0.000 -1.276) 1.484 14.812 ( 6.206 -0.000 -5.389) 8.219 14.813 ( 13.584 -0.000 -0.806) 13.608 15.053 ( 5.676 -0.000 2.667) 6.271 15.662 ( 11.763 -0.000 4.560) 12.616 15.762 ( 10.897 -0.000 0.129) 10.898 15.849 ( 3.291 -0.000 2.284) 4.006 16.041 ( -1.356 0.000 -1.894) 2.330 16.355 ( -6.091 0.000 2.432) 6.559 16.492 ( 5.500 -0.000 -9.139) 10.666 16.774 ( 0.956 -0.000 3.587) 3.712 16.785 ( -0.428 0.000 -1.237) 1.309 16.954 ( -1.172 0.000 2.820) 3.054 16.995 ( -0.155 0.000 -4.762) 4.764 17.052 ( -7.323 0.000 2.364) 7.695 17.055 ( 4.080 -0.000 0.717) 4.142 19.896 ( 10.477 -0.000 0.025) 10.477 20.124 ( 8.722 -0.000 1.648) 8.876 21.280 ( -9.759 0.000 3.090) 10.237 21.301 ( -7.460 0.000 -2.819) 7.974 22.651 ( -6.408 0.000 4.751) 7.977 22.877 ( -1.738 0.000 -7.124) 7.333 27.740 ( 0.048 -0.000 2.586) 2.587 28.186 ( -8.465 0.000 2.562) 8.844 29.606 ( 4.502 -0.000 -7.010) 8.331 29.709 ( -1.059 0.000 0.329) 1.109 29.753 ( 2.766 -0.000 2.127) 3.489 29.863 ( -0.735 0.000 4.489) 4.549 30.974 ( 8.728 -0.000 -2.393) 9.050 31.036 ( -0.306 0.000 1.786) 1.812 31.147 ( 0.849 -0.000 -2.096) 2.261 31.175 ( -0.349 0.000 1.213) 1.262 31.670 ( -3.836 0.000 1.703) 4.198 31.849 ( -6.567 0.000 -2.834) 7.152 31.972 ( 0.899 -0.000 2.201) 2.378 32.079 ( 3.713 -0.000 -1.522) 4.013 32.365 ( 4.311 -0.000 -2.907) 5.199 32.434 ( 8.439 -0.000 1.764) 8.622 32.709 ( 4.695 -0.000 7.094) 8.507 32.997 ( 1.121 -0.000 -11.160) 11.216 34.294 ( -0.318 0.000 -0.511) 0.602 34.328 ( 0.663 -0.000 -0.560) 0.867 34.823 ( -11.031 0.000 11.699) 16.080 35.205 ( -8.674 0.000 -5.747) 10.405 36.109 ( 12.110 -0.000 -3.412) 12.582 36.147 ( 9.272 -0.000 5.991) 11.039 37.094 ( -14.415 0.000 8.283) 16.626 37.222 ( -3.996 0.000 -11.788) 12.447 ======================= Grid point 114 (51/95) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.164 -11.535 12.347) 16.898 1.741 ( 3.704 -6.179 14.089) 15.824 2.066 ( 5.957 -5.377 -8.767) 11.885 2.243 ( -1.984 0.399 8.629) 8.863 2.658 ( -1.387 0.134 3.159) 3.453 2.764 ( 2.244 10.227 -1.727) 10.612 2.958 ( 4.908 2.513 0.510) 5.538 3.035 ( 0.509 -0.766 2.043) 2.240 3.139 ( 1.228 -4.802 -13.413) 14.299 3.400 ( 5.917 3.626 5.692) 8.976 3.460 ( -0.543 5.902 3.366) 6.816 3.531 ( 3.508 -0.257 -3.040) 4.648 3.625 ( -1.911 -7.090 0.888) 7.397 3.663 ( -6.778 3.635 0.296) 7.696 3.719 ( 3.875 -7.335 -6.259) 10.392 3.798 ( -0.487 -3.848 8.981) 9.783 3.999 ( -1.300 -1.944 -1.404) 2.727 4.205 ( 6.445 -2.029 0.753) 6.799 4.267 ( 1.134 -3.128 -7.075) 7.819 4.337 ( -1.088 1.418 -11.684) 11.820 4.473 ( 8.328 1.040 1.460) 8.518 4.618 ( 2.231 0.152 1.786) 2.862 4.747 ( 5.031 2.381 3.996) 6.852 4.854 ( -0.809 -1.240 -4.056) 4.318 4.890 ( 6.155 -3.454 -0.544) 7.079 5.025 ( 2.424 4.350 -3.367) 6.011 5.118 ( 1.462 3.641 3.556) 5.295 5.337 ( -3.852 0.386 4.941) 6.277 5.560 ( -2.392 3.370 0.605) 4.176 5.591 ( -5.214 -0.992 -0.526) 5.334 5.628 ( 1.763 1.787 -4.019) 4.738 5.769 ( -2.440 -0.401 -3.726) 4.472 5.822 ( -0.461 -2.703 1.297) 3.033 5.967 ( -9.628 -8.905 -1.160) 13.166 6.924 ( -4.059 -4.259 6.838) 9.021 7.479 ( -1.502 -0.593 1.645) 2.305 7.542 ( -3.022 6.375 -0.475) 7.071 7.742 ( -3.163 4.545 -1.285) 5.685 7.850 ( -4.976 -5.902 5.345) 9.390 7.940 ( -4.775 -6.839 2.285) 8.649 8.182 ( 2.372 3.292 0.138) 4.060 8.185 ( -1.127 0.960 1.393) 2.033 8.682 ( 1.290 -0.791 -3.351) 3.676 8.866 ( 0.756 2.022 -4.420) 4.919 8.963 ( 6.656 2.607 0.074) 7.149 9.132 ( -5.465 2.362 0.440) 5.969 9.193 ( 2.865 2.665 -2.524) 4.657 9.331 ( -5.714 0.271 -2.069) 6.083 9.598 ( -4.788 1.613 0.305) 5.061 9.866 ( -5.504 -4.205 -2.726) 7.444 10.078 ( -0.940 1.563 8.266) 8.465 10.522 ( 1.763 1.449 -4.755) 5.275 10.794 ( -0.960 0.609 3.044) 3.250 10.905 ( 3.595 -2.469 1.184) 4.519 11.409 ( 9.599 0.633 -3.496) 10.235 11.538 ( 4.988 1.176 2.483) 5.694 11.732 ( -3.417 0.664 -0.905) 3.597 11.813 ( -5.043 -0.857 0.541) 5.144 12.754 ( -3.849 1.678 3.590) 5.525 12.819 ( 4.358 4.468 -4.785) 7.864 12.927 ( -5.089 -1.489 -0.941) 5.385 12.991 ( -1.892 -2.246 -4.045) 4.999 13.609 ( 1.185 -0.712 -0.849) 1.622 13.613 ( 2.874 -0.535 -2.274) 3.703 13.892 ( -0.514 1.021 8.705) 8.779 14.155 ( -6.595 2.451 4.121) 8.154 14.699 ( 0.199 0.085 -1.162) 1.182 14.836 ( 4.464 0.473 -6.177) 7.635 14.907 ( 10.817 2.411 -0.607) 11.100 15.125 ( 4.972 -0.690 1.376) 5.205 15.732 ( 4.749 2.385 2.534) 5.888 15.812 ( 4.181 4.151 0.877) 5.956 15.864 ( 3.648 2.951 -0.715) 4.746 15.984 ( 1.583 4.076 2.215) 4.902 16.341 ( -2.867 -3.295 2.762) 5.168 16.549 ( 1.541 -4.222 -6.433) 7.848 16.772 ( -0.559 1.287 2.945) 3.263 16.805 ( 1.045 -1.753 -1.002) 2.274 16.956 ( -0.113 -0.129 1.121) 1.134 16.981 ( -6.385 0.452 0.781) 6.449 17.003 ( -0.741 -2.009 -1.343) 2.527 17.099 ( 4.402 -0.398 -1.090) 4.553 19.963 ( 9.436 3.830 0.839) 10.218 20.165 ( 5.677 3.600 0.008) 6.722 21.180 ( -9.489 1.540 3.504) 10.232 21.235 ( -5.005 -0.511 -3.107) 5.913 22.637 ( -5.046 -3.016 5.399) 7.982 22.892 ( 0.048 -4.849 -6.740) 8.303 27.753 ( 0.215 -0.497 2.971) 3.020 28.093 ( -6.256 2.696 -0.298) 6.819 29.573 ( -0.028 4.015 -2.449) 4.703 29.647 ( 2.227 3.707 -1.942) 4.740 29.836 ( 3.631 -1.779 1.538) 4.326 29.888 ( -1.352 -2.171 3.240) 4.128 31.007 ( 4.314 1.648 0.394) 4.635 31.113 ( 2.294 -0.299 -1.127) 2.574 31.123 ( 2.228 -3.879 -1.230) 4.639 31.226 ( -3.002 -4.698 1.470) 5.766 31.671 ( -2.326 -3.236 1.015) 4.113 31.773 ( -4.683 1.187 -2.034) 5.242 31.949 ( 0.726 3.585 2.316) 4.329 32.117 ( 1.950 -1.404 -1.905) 3.066 32.411 ( 5.089 -0.884 -2.196) 5.612 32.507 ( 6.383 0.970 1.540) 6.637 32.742 ( 0.403 1.461 6.110) 6.295 32.974 ( 0.106 -0.155 -8.389) 8.391 34.327 ( 0.325 -3.786 -0.220) 3.807 34.355 ( 0.960 -2.756 -1.169) 3.144 34.749 ( -9.025 1.137 10.905) 14.201 35.132 ( -6.097 -1.166 -6.237) 8.800 36.169 ( 7.248 4.842 0.966) 8.770 36.234 ( 9.746 0.976 1.196) 9.868 36.862 ( -5.310 12.365 3.023) 13.792 37.172 ( -7.355 0.708 -6.495) 9.838 ======================= Grid point 115 (52/95) ======================= q-point: ( 0.56 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.395 -12.741 8.294) 15.577 1.946 ( 2.184 -9.984 10.943) 14.973 2.151 ( -2.784 -2.623 -5.164) 6.427 2.293 ( 3.939 -5.882 3.808) 8.039 2.622 ( 6.975 9.515 2.153) 11.993 2.678 ( -1.781 -1.282 2.153) 3.074 2.957 ( 0.878 3.405 0.877) 3.624 3.032 ( -0.546 2.918 5.108) 5.908 3.178 ( 3.982 -3.688 -14.108) 15.116 3.295 ( -2.684 9.222 4.664) 10.677 3.438 ( -0.607 0.634 6.131) 6.193 3.528 ( -6.584 1.425 -0.992) 6.809 3.555 ( 2.573 1.530 -0.305) 3.009 3.716 ( -1.623 -6.633 -6.250) 9.257 3.863 ( 1.424 -5.247 3.605) 6.524 3.893 ( 3.314 -4.968 -4.337) 7.380 4.032 ( 0.199 -1.649 2.265) 2.809 4.226 ( -1.917 2.256 -7.160) 7.748 4.276 ( 2.399 1.284 -0.275) 2.735 4.357 ( -0.519 -4.443 1.500) 4.718 4.530 ( 1.399 -2.089 -4.958) 5.559 4.632 ( 2.355 0.761 2.269) 3.357 4.716 ( 1.778 1.652 4.768) 5.350 4.831 ( -1.071 3.846 -7.052) 8.104 4.944 ( 3.916 2.173 0.917) 4.571 5.005 ( 0.619 -0.626 -3.017) 3.143 5.150 ( 6.478 -0.275 3.411) 7.326 5.310 ( -3.078 -1.260 3.291) 4.679 5.446 ( -0.887 3.000 0.193) 3.135 5.621 ( -1.833 0.737 -3.181) 3.744 5.638 ( 3.233 -4.642 -1.340) 5.813 5.766 ( -1.111 -1.719 -4.076) 4.561 5.864 ( -0.510 -2.010 2.897) 3.563 6.004 ( -7.179 -5.258 -1.814) 9.082 7.035 ( 0.531 -8.277 7.039) 10.878 7.405 ( -1.941 5.234 0.076) 5.583 7.533 ( 0.309 -5.118 -0.964) 5.218 7.639 ( -2.345 3.287 -3.363) 5.255 7.898 ( -2.733 -1.848 5.933) 6.788 8.014 ( -1.321 -2.166 -1.528) 2.962 8.127 ( -1.037 1.182 3.830) 4.141 8.177 ( -2.541 -1.124 2.553) 3.773 8.697 ( 3.541 1.683 -3.533) 5.278 8.815 ( 0.039 2.312 -3.728) 4.387 8.973 ( 5.296 3.032 0.461) 6.120 9.023 ( -4.815 4.180 1.648) 6.586 9.111 ( -3.018 5.952 -0.423) 6.687 9.306 ( 0.448 -0.670 -5.962) 6.017 9.571 ( -1.315 -1.964 2.886) 3.730 9.885 ( -4.428 -4.413 -5.059) 8.042 10.079 ( 1.697 1.120 8.771) 9.004 10.480 ( -0.303 2.558 -4.835) 5.478 10.792 ( -1.245 -0.332 4.813) 4.983 10.978 ( 2.847 -1.959 -0.670) 3.520 11.455 ( 8.118 3.395 -2.872) 9.256 11.517 ( -0.777 4.487 1.336) 4.746 11.705 ( -1.107 -0.252 0.559) 1.266 11.795 ( -4.053 -2.296 -0.319) 4.669 12.697 ( -4.091 1.340 3.830) 5.762 12.806 ( 8.280 3.234 -4.874) 10.138 12.909 ( -1.516 -1.015 -1.549) 2.393 12.984 ( -4.357 -1.813 -3.953) 6.156 13.622 ( -2.226 -1.659 0.589) 2.838 13.650 ( 5.539 0.498 -3.551) 6.598 13.890 ( -0.623 1.544 10.295) 10.429 14.065 ( -6.828 2.077 4.829) 8.618 14.705 ( 1.327 -0.389 -1.270) 1.877 14.860 ( 6.046 0.173 -6.764) 9.074 14.941 ( 6.618 3.363 0.473) 7.438 15.148 ( 0.061 1.416 -0.346) 1.459 15.691 ( 0.933 7.106 0.736) 7.205 15.713 ( -1.481 6.703 -0.157) 6.867 15.831 ( 5.125 5.655 1.094) 7.710 15.939 ( -0.726 4.589 1.556) 4.900 16.415 ( -0.898 -6.135 2.954) 6.868 16.618 ( 1.411 -4.340 -5.173) 6.898 16.734 ( -2.635 2.565 4.387) 5.724 16.857 ( 0.795 -3.753 -0.682) 3.897 16.922 ( -3.681 0.578 -0.674) 3.786 16.957 ( 1.007 0.557 -1.305) 1.740 17.040 ( -0.969 -2.938 1.050) 3.267 17.138 ( 3.554 -0.052 -1.792) 3.981 19.944 ( 4.454 6.875 2.428) 8.544 20.121 ( 2.649 5.738 -2.381) 6.753 21.098 ( -6.188 -0.154 3.415) 7.069 21.214 ( -0.890 -1.535 -3.364) 3.804 22.681 ( -3.885 -5.135 6.173) 8.920 22.981 ( 1.745 -6.500 -6.484) 9.345 27.776 ( 0.367 -0.822 3.121) 3.248 27.992 ( -3.096 3.470 -1.867) 5.011 29.506 ( -0.052 3.051 0.725) 3.136 29.617 ( 1.578 1.511 -3.066) 3.765 29.872 ( 1.879 0.977 1.842) 2.807 29.901 ( -0.827 0.617 0.534) 1.162 31.013 ( 2.250 1.717 0.815) 2.946 31.094 ( -0.017 1.485 -0.611) 1.606 31.256 ( 1.638 -6.326 0.750) 6.577 31.289 ( -2.213 -7.332 -0.274) 7.663 31.707 ( -1.436 -0.673 -0.181) 1.596 31.746 ( -1.010 -3.499 -0.886) 3.748 31.897 ( 0.810 4.055 3.818) 5.627 32.155 ( 0.777 -2.806 -3.825) 4.807 32.463 ( 4.956 0.314 -1.185) 5.105 32.518 ( 1.685 2.647 0.682) 3.211 32.711 ( -2.195 2.684 4.852) 5.963 32.958 ( 1.295 0.715 -6.185) 6.359 34.394 ( 0.477 -3.730 0.491) 3.793 34.454 ( 1.091 -8.412 -1.526) 8.618 34.683 ( -7.140 1.238 10.790) 12.997 35.085 ( -2.919 -0.381 -6.615) 7.241 36.092 ( 1.021 9.088 3.750) 9.884 36.288 ( 8.880 3.559 -4.702) 10.660 36.664 ( 0.943 9.968 4.827) 11.115 37.023 ( -7.194 6.020 -5.382) 10.814 ======================= Grid point 116 (53/95) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.280 -5.391 4.248) 7.232 2.079 ( -9.176 -0.758 6.230) 11.117 2.154 ( 2.520 -2.893 0.666) 3.894 2.396 ( 0.447 -0.742 0.863) 1.223 2.609 ( 2.467 -1.884 4.686) 5.621 2.746 ( 8.914 -2.194 5.596) 10.751 2.802 ( -2.384 15.835 6.571) 17.309 2.983 ( -3.671 -3.159 -3.573) 6.018 3.176 ( -3.909 2.462 3.823) 5.996 3.270 ( 3.750 -5.284 -11.762) 13.428 3.405 ( -3.694 2.942 6.064) 7.686 3.481 ( -6.700 -2.694 2.256) 7.566 3.554 ( 4.660 2.740 2.348) 5.894 3.775 ( -2.094 -3.967 -5.788) 7.323 3.921 ( 8.506 2.134 -4.178) 9.714 3.967 ( -0.502 0.436 0.407) 0.780 4.010 ( 0.793 2.477 -6.328) 6.842 4.159 ( -3.163 -0.449 -8.735) 9.301 4.305 ( 3.269 -2.842 5.214) 6.778 4.415 ( -2.230 -3.879 4.367) 6.252 4.521 ( -2.397 -0.288 -1.222) 2.706 4.673 ( -1.710 10.323 -3.377) 10.995 4.694 ( 3.765 -3.212 -0.256) 4.956 4.784 ( 2.565 -2.848 3.120) 4.942 4.939 ( -0.516 2.419 -3.497) 4.283 4.979 ( -0.117 0.759 -2.530) 2.644 5.170 ( -1.676 0.699 7.886) 8.092 5.378 ( -1.550 -1.581 -1.784) 2.844 5.475 ( 8.073 -5.633 0.851) 9.881 5.549 ( -5.028 2.229 -2.697) 6.126 5.769 ( 1.583 -5.646 -2.653) 6.436 5.773 ( 2.856 -1.369 -2.180) 3.845 5.903 ( -2.321 -2.821 2.485) 4.418 6.018 ( -0.099 -3.784 -3.292) 5.017 7.198 ( 2.648 -5.127 5.139) 7.727 7.346 ( -0.740 -0.957 -2.283) 2.584 7.572 ( -3.994 -0.981 -1.040) 4.242 7.654 ( 3.453 -5.819 -1.047) 6.847 7.884 ( -2.542 2.076 3.433) 4.749 7.930 ( 1.951 8.507 -0.621) 8.750 8.205 ( -4.501 -9.567 3.283) 11.071 8.209 ( -0.814 -4.042 4.053) 5.782 8.634 ( 0.929 7.101 0.405) 7.173 8.794 ( 2.363 1.332 -5.053) 5.735 8.900 ( -0.949 6.619 0.717) 6.725 8.947 ( -0.127 5.894 -1.118) 6.001 9.044 ( -0.427 -2.474 3.246) 4.104 9.295 ( 0.161 0.200 -6.766) 6.771 9.652 ( 1.618 -5.572 5.047) 7.690 9.894 ( -3.295 -3.087 -4.783) 6.578 10.127 ( 2.878 -1.138 7.269) 7.900 10.416 ( -0.953 2.379 -5.258) 5.849 10.804 ( -0.951 -0.548 5.147) 5.263 11.007 ( 0.327 -0.122 -2.292) 2.319 11.399 ( -3.706 6.545 0.278) 7.527 11.427 ( 4.784 6.479 -0.922) 8.106 11.732 ( 1.660 -2.252 1.510) 3.179 11.804 ( -2.139 -2.233 -1.466) 3.422 12.656 ( -3.815 0.260 2.090) 4.357 12.833 ( 10.014 2.826 -5.817) 11.921 12.887 ( -4.658 -0.272 0.294) 4.675 12.995 ( 0.130 -3.966 -3.054) 5.007 13.621 ( -2.758 -0.996 0.282) 2.946 13.673 ( 3.690 1.216 -1.878) 4.316 13.894 ( -0.013 1.323 10.181) 10.266 13.994 ( -6.357 0.145 5.162) 8.190 14.727 ( 1.225 -1.040 -1.348) 2.098 14.905 ( 3.890 -0.361 -7.541) 8.493 14.919 ( 4.794 4.708 2.478) 7.162 15.072 ( -6.284 3.734 -1.786) 7.525 15.541 ( 0.977 10.089 1.126) 10.198 15.585 ( -1.182 8.415 -0.502) 8.512 15.779 ( 3.312 5.744 1.612) 6.823 15.818 ( -3.632 7.174 -0.378) 8.050 16.520 ( -0.794 -6.098 2.296) 6.564 16.640 ( -1.767 2.646 2.142) 3.835 16.720 ( -0.206 -3.745 -0.989) 3.879 16.886 ( 0.199 0.874 -1.924) 2.122 16.930 ( 0.627 -2.967 -1.469) 3.370 16.954 ( 1.616 0.200 -0.560) 1.722 17.079 ( -1.167 -2.625 0.745) 2.967 17.156 ( 2.246 0.476 -1.338) 2.657 19.850 ( -0.479 7.023 3.096) 7.690 20.024 ( 0.612 6.319 -3.638) 7.317 21.098 ( -2.181 -3.288 2.847) 4.865 21.249 ( 2.379 -2.769 -3.097) 4.788 22.762 ( -2.368 -5.878 6.334) 8.959 23.085 ( 2.488 -5.450 -6.255) 8.662 27.803 ( 0.355 -1.016 2.598) 2.812 27.914 ( -0.894 3.053 -1.685) 3.600 29.478 ( 0.314 1.100 1.992) 2.297 29.604 ( 0.578 0.300 -2.929) 3.000 29.834 ( -4.664 2.659 0.575) 5.399 29.875 ( 3.816 3.461 0.041) 5.152 30.998 ( 0.622 2.033 1.357) 2.522 31.059 ( -1.266 1.686 -0.658) 2.209 31.338 ( -4.467 -6.422 1.852) 8.039 31.444 ( 5.147 -7.642 -1.338) 9.310 31.706 ( 0.975 0.172 1.132) 1.504 31.762 ( -2.925 0.773 -1.448) 3.354 31.907 ( 2.488 -2.844 5.247) 6.466 32.195 ( -1.667 -3.456 -6.081) 7.191 32.468 ( 0.018 2.703 -0.505) 2.750 32.482 ( 3.602 2.801 -1.012) 4.674 32.653 ( -3.679 2.285 4.795) 6.461 32.930 ( 3.512 3.300 -6.006) 7.700 34.471 ( -0.051 -4.830 3.361) 5.884 34.602 ( -0.916 -2.576 5.052) 5.745 34.658 ( -3.914 -7.708 3.217) 9.224 35.055 ( 2.533 1.205 -7.024) 7.564 35.943 ( -1.356 9.303 3.985) 10.211 36.224 ( 3.427 8.761 -8.379) 12.598 36.572 ( -4.592 3.151 7.812) 9.594 36.861 ( 2.436 6.729 -4.989) 8.724 ======================= Grid point 117 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 2.565 10.561 3.872) 11.537 1.970 ( -7.177 2.787 2.892) 8.224 2.134 ( -1.265 6.346 5.727) 8.641 2.420 ( -9.119 -0.509 -0.858) 9.174 2.517 ( 1.067 12.094 4.933) 13.104 2.669 ( 2.131 -1.681 7.120) 7.620 2.887 ( -2.582 -0.310 4.689) 5.362 2.993 ( -1.962 -3.061 -4.552) 5.826 3.213 ( 3.962 -7.085 2.391) 8.462 3.264 ( -0.736 7.331 4.279) 8.520 3.371 ( -0.727 -3.193 -4.181) 5.311 3.502 ( -4.934 -3.332 4.381) 7.392 3.553 ( 4.507 2.590 2.169) 5.632 3.756 ( -2.734 1.385 -2.611) 4.027 3.864 ( 2.180 2.663 -8.190) 8.884 3.988 ( 9.102 -0.213 -5.936) 10.868 4.019 ( 3.987 2.420 -1.577) 4.923 4.154 ( 3.058 -2.188 -8.673) 9.453 4.392 ( 1.653 -0.845 5.506) 5.811 4.463 ( -0.099 4.413 0.723) 4.473 4.481 ( -5.090 1.176 1.590) 5.461 4.525 ( 0.099 -1.541 0.133) 1.549 4.734 ( 0.627 0.887 -3.912) 4.060 4.827 ( 2.350 2.112 3.908) 5.026 4.862 ( 0.729 1.500 -2.407) 2.928 5.017 ( 0.233 -4.335 -5.780) 7.229 5.135 ( -6.690 2.083 3.885) 8.012 5.333 ( -2.132 3.354 1.364) 4.201 5.467 ( -4.566 0.039 0.331) 4.578 5.660 ( 4.936 -6.671 -3.340) 8.946 5.807 ( -0.565 -2.986 -0.513) 3.082 5.876 ( 0.769 -5.258 -3.096) 6.150 5.889 ( -6.251 -1.572 1.745) 6.678 6.170 ( 10.259 -7.714 -2.350) 13.049 7.259 ( 0.829 -1.302 1.384) 2.073 7.387 ( 2.406 -1.577 -5.641) 6.332 7.565 ( -4.597 -1.935 3.408) 6.041 7.752 ( 1.259 0.352 -2.037) 2.420 7.827 ( -4.845 0.847 1.035) 5.026 7.856 ( 3.384 -0.998 3.189) 4.756 8.319 ( 1.663 -6.874 2.598) 7.535 8.333 ( -2.055 -8.035 2.942) 8.800 8.526 ( -2.171 5.232 4.867) 7.468 8.752 ( 1.660 4.113 -3.171) 5.453 8.804 ( 2.401 5.698 0.350) 6.193 8.856 ( 1.531 4.616 -1.684) 5.147 9.120 ( -0.675 -4.624 2.603) 5.349 9.288 ( -1.067 -2.746 -4.561) 5.430 9.774 ( -0.729 -5.782 3.673) 6.889 9.924 ( 0.860 -4.022 -2.311) 4.718 10.178 ( -1.242 -0.479 4.704) 4.888 10.371 ( 1.219 0.738 -4.495) 4.716 10.816 ( -0.419 0.097 3.463) 3.489 10.978 ( -2.727 1.032 -2.245) 3.680 11.251 ( -2.495 6.870 -1.202) 7.407 11.360 ( 4.799 6.464 1.154) 8.133 11.801 ( 2.062 -2.498 1.924) 3.768 11.818 ( -1.310 -2.326 -2.169) 3.440 12.625 ( -3.410 -0.351 -0.501) 3.464 12.806 ( -1.788 0.662 -2.627) 3.246 12.936 ( 6.942 -1.959 0.838) 7.262 13.067 ( 2.010 -3.839 -3.284) 5.437 13.610 ( -2.367 -0.495 0.595) 2.490 13.664 ( 1.147 2.285 0.147) 2.561 13.878 ( -4.735 1.489 9.687) 10.885 13.985 ( -1.617 -1.577 3.181) 3.901 14.715 ( -4.947 2.966 -1.722) 6.020 14.822 ( -4.658 3.127 2.097) 5.989 14.886 ( -7.690 5.930 -0.397) 9.719 14.998 ( 7.664 -0.978 -6.146) 9.872 15.405 ( 4.025 9.409 0.700) 10.258 15.447 ( 4.497 8.150 -0.708) 9.335 15.651 ( -3.669 7.969 -1.712) 8.939 15.724 ( 3.657 5.319 1.754) 6.689 16.577 ( -1.186 3.491 4.847) 6.090 16.602 ( -2.818 -4.846 1.424) 5.784 16.777 ( -1.113 -3.599 -3.096) 4.876 16.878 ( 2.998 1.671 -0.960) 3.564 16.940 ( 3.220 1.146 -1.999) 3.959 16.991 ( 0.390 -1.749 -1.991) 2.678 17.107 ( -0.912 -1.733 0.425) 2.004 17.167 ( 0.979 -0.475 0.128) 1.096 19.744 ( -1.865 4.986 2.704) 5.970 19.920 ( 0.600 5.242 -3.900) 6.561 21.162 ( -1.073 -4.842 2.156) 5.408 21.322 ( 2.992 -3.504 -2.385) 5.188 22.856 ( -1.135 -5.143 5.691) 7.755 23.164 ( 2.133 -3.370 -5.839) 7.071 27.822 ( 0.161 0.637 1.969) 2.076 27.874 ( 0.052 -0.077 -0.901) 0.905 29.476 ( 0.273 0.732 2.900) 3.003 29.598 ( 0.500 0.278 -2.651) 2.712 29.735 ( -4.915 3.045 0.133) 5.783 29.854 ( 3.391 2.967 -0.479) 4.531 30.968 ( -0.309 2.371 1.947) 3.084 31.019 ( -1.206 1.192 -0.792) 1.872 31.405 ( -3.785 -5.889 1.261) 7.113 31.584 ( 4.420 -1.806 0.917) 4.862 31.698 ( -4.099 -1.039 -1.038) 4.354 31.733 ( 3.031 0.798 1.090) 3.318 32.015 ( 1.334 -5.057 4.324) 6.786 32.182 ( -5.090 -1.037 -5.289) 7.413 32.420 ( 0.201 2.962 -1.811) 3.478 32.458 ( 3.277 3.189 -2.315) 5.125 32.590 ( -5.740 1.734 2.108) 6.356 32.898 ( 7.918 4.183 -5.582) 10.552 34.548 ( -0.354 1.778 9.783) 9.950 34.593 ( -5.165 -5.602 7.685) 10.822 34.824 ( -1.230 -9.134 -4.218) 10.135 35.077 ( 10.753 -0.365 -5.863) 12.253 35.792 ( -4.189 7.068 3.384) 8.886 36.075 ( 2.762 7.891 -6.615) 10.661 36.448 ( -18.754 0.088 3.386) 19.057 36.874 ( 15.045 1.305 -1.675) 15.194 ======================= Grid point 118 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 9.902 10.823 6.702) 16.127 1.870 ( -3.400 6.183 11.844) 13.786 1.982 ( 4.177 13.691 4.496) 15.004 2.203 ( -7.757 10.780 -0.762) 13.302 2.472 ( 2.448 1.282 -2.984) 4.067 2.687 ( -6.344 3.409 -6.603) 9.771 2.798 ( -7.582 -1.268 9.172) 11.968 3.016 ( -0.178 1.690 -0.132) 1.704 3.159 ( 0.929 4.391 6.444) 7.853 3.311 ( 2.463 6.073 4.953) 8.215 3.396 ( 2.255 -3.034 0.084) 3.781 3.569 ( 0.957 -7.801 -3.235) 8.499 3.573 ( 3.310 1.211 3.121) 4.708 3.737 ( 2.158 1.010 -1.938) 3.072 3.833 ( -0.707 -0.987 -11.977) 12.038 4.031 ( 7.632 2.823 2.565) 8.532 4.056 ( 5.895 -0.665 -4.259) 7.303 4.192 ( 4.173 0.319 -4.272) 5.980 4.286 ( 0.180 8.822 0.575) 8.843 4.412 ( -0.312 2.865 -0.845) 3.003 4.506 ( -0.585 -1.176 2.989) 3.265 4.552 ( 1.894 0.500 2.687) 3.325 4.722 ( 1.198 -1.528 -6.019) 6.324 4.806 ( 1.449 1.857 4.553) 5.126 4.893 ( 0.857 -2.701 -3.707) 4.666 4.985 ( -5.649 6.481 1.994) 8.826 5.051 ( -4.576 -2.311 -3.671) 6.305 5.268 ( -0.726 2.500 -0.276) 2.618 5.465 ( -1.056 -1.676 0.363) 2.014 5.751 ( -7.114 -4.042 -3.577) 8.930 5.795 ( -3.695 -2.826 -1.378) 4.851 5.920 ( -2.574 -7.039 -3.991) 8.491 5.957 ( 1.665 -1.965 2.341) 3.480 6.372 ( 6.784 -6.009 -1.408) 9.172 7.286 ( -0.480 -0.987 -1.147) 1.587 7.389 ( 2.014 1.425 -4.089) 4.775 7.547 ( -1.683 1.320 2.263) 3.114 7.711 ( 1.690 3.011 -1.922) 3.952 7.798 ( -7.482 -4.594 1.362) 8.885 7.973 ( 0.531 -6.080 3.417) 6.995 8.381 ( -1.487 2.399 8.304) 8.771 8.459 ( -0.491 -5.879 -0.078) 5.900 8.506 ( -2.801 -5.606 3.838) 7.348 8.675 ( 0.694 4.839 -2.064) 5.307 8.793 ( 6.887 -0.269 -0.314) 6.899 8.830 ( 3.930 1.600 0.303) 4.254 9.186 ( -2.765 -4.960 1.458) 5.862 9.339 ( -1.837 -5.235 -1.805) 5.834 9.834 ( -4.311 -4.244 0.199) 6.053 10.022 ( 3.185 -4.499 -0.085) 5.513 10.130 ( -6.227 1.868 1.316) 6.633 10.391 ( 2.897 -0.823 -1.693) 3.455 10.803 ( -0.109 1.774 0.538) 1.858 10.927 ( -4.655 0.541 0.793) 4.753 11.145 ( 3.009 4.658 -3.183) 6.394 11.323 ( 6.743 5.199 2.208) 8.796 11.837 ( -1.153 -2.472 -0.898) 2.871 11.854 ( -1.353 -2.372 0.602) 2.796 12.606 ( -2.503 -1.296 -1.848) 3.370 12.807 ( -1.084 -2.658 -0.445) 2.905 13.044 ( 6.224 -2.525 1.557) 6.895 13.134 ( 1.269 -3.483 -2.985) 4.759 13.589 ( -1.992 1.084 0.243) 2.281 13.634 ( 0.656 2.020 1.979) 2.904 13.824 ( -5.763 1.719 7.767) 9.823 13.994 ( -3.019 -0.779 1.698) 3.550 14.548 ( -6.116 6.796 0.126) 9.144 14.658 ( -8.786 4.976 -0.378) 10.104 14.829 ( -2.562 -0.476 2.343) 3.504 15.082 ( 6.783 -1.809 -5.195) 8.733 15.333 ( 9.036 6.582 -0.421) 11.187 15.411 ( 12.192 5.534 -0.381) 13.395 15.492 ( -1.100 7.044 -2.052) 7.419 15.689 ( 4.806 4.180 1.551) 6.556 16.532 ( -1.742 1.996 4.993) 5.652 16.643 ( -2.111 -2.775 1.430) 3.768 16.785 ( -2.432 -0.861 -5.141) 5.752 16.872 ( 3.572 2.777 -0.323) 4.536 16.961 ( 3.932 0.238 -0.262) 3.948 16.998 ( 0.430 0.104 -3.351) 3.380 17.120 ( -0.990 -0.610 1.057) 1.572 17.188 ( -0.550 -1.302 0.653) 1.557 19.673 ( -0.641 2.873 1.922) 3.516 19.850 ( 2.129 3.258 -3.675) 5.353 21.236 ( -2.087 -4.949 1.758) 5.652 21.395 ( 1.176 -3.449 -1.976) 4.145 22.928 ( -1.773 -2.895 4.658) 5.764 23.199 ( 0.763 -0.952 -5.358) 5.495 27.794 ( -0.448 2.352 2.333) 3.343 27.919 ( 0.827 -4.349 -0.675) 4.478 29.472 ( 0.563 1.192 3.656) 3.886 29.577 ( 0.723 2.585 -2.425) 3.617 29.667 ( -3.284 0.087 0.001) 3.285 29.850 ( 3.212 0.738 -0.675) 3.364 30.920 ( -0.722 3.211 1.308) 3.542 31.003 ( 0.324 0.122 -0.221) 0.411 31.473 ( -1.987 -5.156 1.738) 5.793 31.550 ( -4.406 3.688 3.997) 6.999 31.733 ( 3.072 -2.147 -3.480) 5.114 31.739 ( 0.498 2.090 -0.521) 2.211 32.094 ( -1.733 -2.575 3.038) 4.343 32.132 ( -4.949 -1.063 -3.067) 5.918 32.358 ( 0.779 4.121 -1.906) 4.607 32.428 ( 1.436 3.146 -4.069) 5.340 32.509 ( -1.341 2.580 2.138) 3.609 32.920 ( 9.702 1.639 -7.812) 12.563 34.499 ( -1.832 4.197 8.978) 10.078 34.692 ( -5.304 -6.368 7.244) 11.007 34.844 ( 0.034 2.528 -3.455) 4.281 35.272 ( 13.777 -8.634 -1.463) 16.324 35.666 ( -4.776 2.967 1.656) 5.862 36.022 ( 6.597 2.765 -2.156) 7.471 36.274 ( -23.335 -4.084 -0.958) 23.709 37.046 ( 12.990 -5.468 -0.476) 14.102 ======================= Grid point 123 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.114 0.000 13.641) 13.804 1.763 ( 2.360 -0.000 15.525) 15.703 2.055 ( 5.158 -0.000 -7.115) 8.788 2.214 ( -7.255 0.000 6.180) 9.530 2.633 ( -2.606 0.000 3.201) 4.128 2.865 ( -2.109 0.000 -1.833) 2.794 2.981 ( 1.100 -0.000 -2.873) 3.076 3.062 ( 0.111 -0.000 2.968) 2.970 3.101 ( 9.933 -0.000 -13.371) 16.657 3.421 ( -4.788 0.000 6.820) 8.333 3.521 ( 0.807 -0.000 -4.612) 4.683 3.544 ( -3.268 0.000 1.054) 3.434 3.600 ( 2.585 -0.000 -7.458) 7.893 3.664 ( 6.261 -0.000 4.978) 7.999 3.700 ( -9.237 0.000 16.065) 18.531 3.729 ( 3.238 -0.000 -5.257) 6.174 3.977 ( 1.587 -0.000 -0.430) 1.644 4.257 ( 7.206 -0.000 2.645) 7.676 4.258 ( 4.903 -0.000 -5.693) 7.514 4.310 ( 2.160 -0.000 -13.304) 13.478 4.550 ( 0.149 -0.000 -1.338) 1.346 4.661 ( 4.980 -0.000 5.381) 7.331 4.812 ( -2.726 0.000 -8.329) 8.764 4.847 ( -6.065 0.000 7.069) 9.315 4.867 ( 10.950 -0.000 -2.813) 11.306 5.072 ( 2.196 -0.000 -2.192) 3.103 5.179 ( 2.149 -0.000 0.615) 2.236 5.281 ( -9.304 0.000 7.140) 11.728 5.552 ( 0.334 -0.000 -2.360) 2.383 5.596 ( 3.464 -0.000 0.952) 3.592 5.713 ( -2.035 0.000 -7.246) 7.526 5.715 ( -2.072 0.000 1.755) 2.716 5.777 ( -4.575 0.000 0.743) 4.635 5.793 ( 0.624 -0.000 -0.733) 0.962 6.874 ( -2.783 0.000 9.788) 10.176 7.436 ( -2.263 0.000 -2.771) 3.578 7.637 ( -0.740 0.000 2.093) 2.220 7.708 ( -4.544 0.000 1.138) 4.684 7.767 ( -5.369 0.000 5.578) 7.742 7.835 ( -1.771 0.000 -2.835) 3.343 8.181 ( -1.138 0.000 2.990) 3.199 8.256 ( 4.065 -0.000 -1.805) 4.448 8.684 ( 2.321 -0.000 -1.048) 2.547 8.873 ( 0.163 -0.000 -5.318) 5.321 9.065 ( 8.655 -0.000 -1.042) 8.717 9.108 ( -4.355 0.000 1.006) 4.470 9.239 ( 3.839 -0.000 -4.151) 5.654 9.256 ( -8.494 0.000 -0.754) 8.528 9.585 ( -2.523 0.000 0.798) 2.646 9.761 ( -4.768 0.000 -4.056) 6.260 10.110 ( -0.329 0.000 9.836) 9.842 10.534 ( 0.959 -0.000 -5.803) 5.882 10.808 ( -0.614 0.000 3.153) 3.212 10.904 ( 1.746 -0.000 1.046) 2.035 11.500 ( 9.946 -0.000 -2.732) 10.314 11.595 ( 2.016 -0.000 1.572) 2.556 11.704 ( -1.691 0.000 -1.244) 2.100 11.756 ( -6.119 0.000 1.254) 6.246 12.732 ( -5.975 0.000 4.793) 7.660 12.877 ( 0.643 0.000 -2.684) 2.760 12.877 ( -0.061 0.000 -0.969) 0.971 12.964 ( 2.823 -0.000 -7.017) 7.563 13.585 ( -1.292 0.000 0.143) 1.300 13.660 ( 6.761 -0.000 -5.473) 8.699 13.915 ( -1.925 0.000 9.992) 10.176 14.115 ( -8.272 0.000 4.716) 9.522 14.703 ( 1.283 -0.000 -1.248) 1.790 14.846 ( 2.793 -0.000 -7.737) 8.226 15.020 ( 7.347 -0.000 0.824) 7.393 15.159 ( 2.096 -0.000 1.487) 2.569 15.796 ( 3.250 -0.000 0.890) 3.370 15.856 ( -1.102 0.000 -0.332) 1.151 15.949 ( 6.036 -0.000 1.623) 6.251 16.023 ( -2.173 0.000 2.572) 3.367 16.291 ( -2.557 0.000 3.344) 4.210 16.503 ( 0.719 -0.000 -4.934) 4.986 16.785 ( -1.007 0.000 2.016) 2.253 16.808 ( 3.109 -0.000 -2.828) 4.203 16.906 ( -7.266 0.000 1.846) 7.497 16.974 ( 1.125 -0.000 -3.629) 3.800 16.986 ( 0.759 -0.000 3.704) 3.781 17.131 ( 3.758 -0.000 -1.550) 4.065 20.090 ( 8.711 -0.000 0.231) 8.714 20.230 ( 1.036 -0.000 0.260) 1.068 21.116 ( -8.356 0.000 3.706) 9.141 21.192 ( -1.247 0.000 -2.658) 2.936 22.586 ( -3.525 0.000 4.950) 6.077 22.837 ( 1.554 -0.000 -6.128) 6.322 27.763 ( 0.780 -0.000 3.856) 3.934 28.055 ( -5.045 0.000 -2.029) 5.438 29.615 ( 1.841 -0.000 -3.217) 3.706 29.683 ( -1.266 0.000 -2.060) 2.418 29.853 ( 4.241 -0.000 1.779) 4.599 29.858 ( -2.433 0.000 4.417) 5.043 31.039 ( -0.376 0.000 1.889) 1.926 31.117 ( 6.515 -0.000 -1.891) 6.784 31.151 ( 0.958 -0.000 -2.190) 2.390 31.156 ( -2.583 0.000 1.075) 2.798 31.629 ( -1.110 0.000 1.198) 1.633 31.731 ( -3.532 0.000 -1.769) 3.950 31.991 ( -0.057 0.000 2.311) 2.312 32.117 ( 1.176 -0.000 -2.041) 2.355 32.451 ( 5.949 -0.000 -0.988) 6.031 32.566 ( 2.404 -0.000 0.418) 2.440 32.761 ( -3.197 0.000 6.365) 7.123 32.958 ( 2.563 -0.000 -7.076) 7.525 34.294 ( 0.243 -0.000 0.163) 0.293 34.343 ( 1.629 -0.000 -2.430) 2.925 34.706 ( -8.059 0.000 10.669) 13.371 35.070 ( -1.673 0.000 -6.252) 6.472 36.281 ( 0.845 -0.000 4.588) 4.665 36.321 ( 12.024 -0.000 -3.247) 12.455 36.876 ( -13.586 0.000 7.144) 15.350 37.140 ( 2.298 -0.000 -10.024) 10.284 ======================= Grid point 124 (57/95) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -5.025 -9.539 11.042) 15.433 1.861 ( -1.985 -5.395 17.641) 18.554 2.081 ( -0.535 -0.843 -6.271) 6.350 2.213 ( -1.175 -6.030 1.639) 6.358 2.637 ( -1.547 -0.937 0.853) 1.999 2.805 ( 2.967 4.449 0.986) 5.438 2.971 ( -2.323 0.790 -4.206) 4.870 3.061 ( 1.083 1.184 3.950) 4.264 3.152 ( 3.951 -0.809 -7.762) 8.747 3.403 ( -4.604 -1.792 3.041) 5.801 3.485 ( -3.711 10.443 0.765) 11.109 3.513 ( -1.204 2.396 -0.201) 2.689 3.561 ( -1.292 -4.858 -2.653) 5.684 3.603 ( -0.689 0.549 -1.979) 2.167 3.775 ( 1.679 -4.749 7.080) 8.689 3.848 ( 3.716 -5.938 0.374) 7.015 4.024 ( 3.432 -1.944 -0.369) 3.962 4.270 ( 3.808 3.169 -7.176) 8.720 4.317 ( 4.432 0.291 -4.267) 6.159 4.332 ( 2.651 -1.001 3.436) 4.454 4.503 ( -2.220 0.055 -4.791) 5.281 4.685 ( 0.705 2.116 -0.440) 2.273 4.748 ( -5.462 2.643 3.077) 6.803 4.806 ( -2.085 -2.689 -1.390) 3.675 4.943 ( -0.918 -2.053 -4.785) 5.287 5.064 ( 4.964 4.042 -2.420) 6.843 5.195 ( -0.909 0.552 4.776) 4.893 5.248 ( -2.899 -2.409 4.405) 5.797 5.518 ( 0.815 5.713 1.930) 6.085 5.591 ( 0.869 0.323 -1.411) 1.688 5.644 ( 2.915 0.113 -4.238) 5.145 5.716 ( -1.817 -0.426 -3.862) 4.289 5.839 ( 1.430 -4.214 2.138) 4.937 5.864 ( -0.400 -6.535 -0.600) 6.574 6.944 ( 1.086 -5.830 10.855) 12.370 7.433 ( -1.175 -1.583 -6.659) 6.945 7.519 ( -0.335 6.130 4.106) 7.386 7.683 ( -1.608 4.681 -1.140) 5.079 7.803 ( -2.434 -7.859 2.087) 8.488 7.882 ( -2.477 -6.059 2.678) 7.073 8.171 ( -1.231 0.737 2.361) 2.762 8.237 ( 2.309 5.430 -0.871) 5.965 8.721 ( 3.652 -1.213 -1.156) 4.018 8.840 ( -0.417 2.096 -5.210) 5.631 9.050 ( -3.116 2.947 0.833) 4.369 9.090 ( 3.285 3.985 -1.030) 5.267 9.153 ( -3.421 3.512 0.504) 4.929 9.283 ( 2.745 -1.801 -5.484) 6.391 9.569 ( 1.304 0.458 2.894) 3.207 9.756 ( -2.890 -4.144 -5.305) 7.326 10.133 ( 0.947 0.668 9.900) 9.968 10.504 ( 0.160 2.082 -6.263) 6.602 10.800 ( -0.832 0.687 4.494) 4.622 10.943 ( -0.401 -2.881 -0.289) 2.923 11.559 ( -4.317 2.562 -0.522) 5.047 11.571 ( 8.143 1.768 -2.131) 8.601 11.694 ( -3.426 0.093 1.726) 3.838 11.729 ( 0.231 -1.745 -0.216) 1.773 12.685 ( -4.434 0.929 3.643) 5.813 12.873 ( 1.003 0.518 -0.794) 1.380 12.897 ( 1.933 -1.575 -0.991) 2.683 12.961 ( 4.086 2.147 -8.005) 9.241 13.582 ( -1.338 -0.931 -0.610) 1.740 13.704 ( 6.395 0.506 -5.159) 8.232 13.918 ( -2.757 0.324 11.211) 11.549 14.036 ( -8.170 1.402 4.918) 9.638 14.716 ( 2.221 0.079 -1.207) 2.529 14.859 ( 2.679 -1.228 -8.109) 8.628 15.047 ( 2.751 2.592 2.257) 4.402 15.154 ( -3.213 0.959 -0.016) 3.353 15.795 ( 1.939 3.519 0.095) 4.019 15.807 ( 0.383 5.184 -0.993) 5.292 15.945 ( -0.287 3.765 3.280) 5.002 15.983 ( -3.706 2.237 1.583) 4.609 16.319 ( -1.865 -4.344 3.465) 5.861 16.536 ( 1.007 -4.167 -4.720) 6.376 16.769 ( -1.378 2.021 2.988) 3.862 16.823 ( 0.552 -1.103 -1.092) 1.647 16.873 ( -2.583 -1.974 -1.398) 3.539 16.979 ( 2.573 0.491 -2.269) 3.466 17.013 ( 0.620 -0.781 3.487) 3.627 17.160 ( 2.801 -0.260 -1.957) 3.427 20.098 ( 2.229 6.094 1.971) 6.782 20.195 ( -1.787 2.873 -1.808) 3.836 21.061 ( -3.497 0.418 3.085) 4.682 21.198 ( 2.988 -0.549 -2.261) 3.787 22.598 ( -2.282 -3.000 5.213) 6.433 22.887 ( 3.073 -4.887 -5.906) 8.259 27.787 ( 1.285 -0.056 4.703) 4.875 27.998 ( -2.421 1.409 -3.413) 4.416 29.572 ( 0.317 4.617 0.084) 4.629 29.653 ( 1.026 1.893 -3.957) 4.505 29.856 ( -2.744 -1.161 3.636) 4.701 29.913 ( 1.929 -1.679 0.911) 2.714 31.043 ( -0.248 0.202 1.541) 1.574 31.111 ( -1.580 1.438 -0.750) 2.264 31.173 ( -1.758 -2.790 -0.306) 3.312 31.201 ( 3.428 -4.587 -0.916) 5.799 31.654 ( 0.126 -2.790 0.806) 2.907 31.715 ( 0.550 -0.589 -1.415) 1.628 31.970 ( -0.167 2.818 2.995) 4.116 32.120 ( -0.102 -0.623 -2.965) 3.032 32.510 ( 5.251 -0.227 0.123) 5.257 32.548 ( -2.747 1.133 -1.102) 3.169 32.721 ( -5.907 1.284 5.262) 8.014 32.983 ( 6.017 0.415 -5.213) 7.972 34.333 ( 0.454 -4.041 -0.292) 4.077 34.369 ( 1.415 -2.450 -2.371) 3.692 34.664 ( -6.382 0.488 10.883) 12.626 35.057 ( 1.894 -0.343 -6.099) 6.395 36.228 ( -2.755 5.703 3.215) 7.103 36.402 ( 8.915 2.464 -3.693) 9.959 36.734 ( -11.976 3.843 6.610) 14.209 37.104 ( 5.218 5.484 -7.727) 10.817 ======================= Grid point 125 (58/95) ======================= q-point: (-0.33 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -5.035 -12.827 7.065) 15.486 1.954 ( -10.330 -5.365 15.024) 19.006 2.098 ( 0.517 -5.407 -1.449) 5.622 2.362 ( 3.817 -6.808 -5.014) 9.277 2.577 ( -6.781 2.427 6.049) 9.406 2.813 ( 0.997 -0.737 -3.663) 3.868 2.918 ( 2.812 2.568 -2.277) 4.437 3.026 ( -3.533 5.747 9.344) 11.525 3.194 ( 1.277 -3.384 0.056) 3.618 3.235 ( -3.233 10.922 -3.350) 11.873 3.397 ( -2.026 -0.556 -1.648) 2.670 3.447 ( -6.175 3.144 2.197) 7.269 3.613 ( 2.876 -0.766 0.897) 3.109 3.650 ( -0.399 -6.781 -5.760) 8.906 3.894 ( 0.391 -6.368 2.596) 6.888 3.982 ( 6.426 -4.135 1.299) 7.751 4.056 ( 1.379 1.381 -2.805) 3.417 4.187 ( 3.115 5.456 -6.218) 8.839 4.329 ( 3.522 1.647 -2.745) 4.759 4.371 ( -1.438 -1.882 5.029) 5.559 4.496 ( -0.735 -0.809 -1.980) 2.262 4.665 ( 0.638 -1.595 -5.384) 5.651 4.732 ( -1.968 -4.000 4.439) 6.291 4.785 ( -2.599 4.116 0.502) 4.893 4.926 ( -3.142 -0.259 -2.751) 4.184 4.998 ( -1.935 3.183 -4.701) 5.998 5.186 ( -3.082 -0.581 5.917) 6.697 5.298 ( -1.246 -2.443 2.716) 3.860 5.461 ( -0.216 3.810 0.002) 3.816 5.575 ( 3.806 1.208 -2.878) 4.923 5.706 ( 1.938 -2.508 -3.972) 5.082 5.715 ( -1.772 -4.725 -1.513) 5.268 5.918 ( 4.843 -0.980 2.953) 5.756 5.973 ( 5.427 -4.810 -2.576) 7.696 7.125 ( 3.386 -8.526 10.105) 13.648 7.359 ( -1.213 3.927 -4.390) 6.014 7.530 ( -0.518 -1.380 1.504) 2.106 7.618 ( 2.226 0.233 -4.048) 4.626 7.881 ( -2.215 -2.391 2.521) 4.120 7.982 ( -1.607 -6.136 3.943) 7.468 8.135 ( -0.350 6.078 2.099) 6.440 8.169 ( 0.547 -1.069 1.673) 2.059 8.736 ( 1.046 4.539 -4.385) 6.397 8.804 ( 1.889 -1.042 -2.853) 3.577 8.965 ( -2.599 3.899 0.600) 4.724 9.021 ( -4.931 2.102 2.176) 5.785 9.087 ( 6.238 5.984 -1.064) 8.710 9.299 ( 1.907 0.969 -6.051) 6.418 9.628 ( 4.221 -2.381 5.731) 7.505 9.788 ( -1.666 -4.136 -5.716) 7.250 10.166 ( 1.704 0.175 8.493) 8.664 10.441 ( 0.052 3.022 -6.557) 7.221 10.805 ( -0.893 -0.329 5.507) 5.589 10.968 ( -3.033 -2.053 -1.405) 3.922 11.447 ( -5.794 4.194 -1.722) 7.357 11.550 ( 0.411 4.590 0.105) 4.610 11.712 ( 2.034 -2.518 0.843) 3.345 11.770 ( 2.440 -1.031 -0.468) 2.690 12.643 ( -2.235 1.177 1.493) 2.934 12.847 ( -4.849 1.259 -1.020) 5.113 12.936 ( 4.920 0.006 -2.069) 5.337 12.976 ( 8.508 -0.069 -5.208) 9.975 13.582 ( -1.720 -1.021 -0.747) 2.135 13.728 ( 3.947 1.461 -2.373) 4.831 13.908 ( -6.054 0.742 10.420) 12.074 13.969 ( -3.077 0.383 4.740) 5.665 14.731 ( 1.854 0.212 -1.176) 2.206 14.883 ( 0.622 -1.486 -6.810) 6.998 15.013 ( -0.206 2.991 1.846) 3.521 15.059 ( -8.231 3.462 -1.338) 9.029 15.702 ( -1.725 7.632 0.972) 7.885 15.708 ( 1.936 7.450 -0.325) 7.704 15.872 ( -4.235 4.220 -0.139) 5.980 15.886 ( -2.417 4.569 2.539) 5.759 16.398 ( -2.849 -6.240 2.972) 7.476 16.612 ( 0.978 -4.864 -4.816) 6.914 16.717 ( -1.523 3.033 3.733) 5.045 16.871 ( 1.890 -3.217 -0.700) 3.796 16.896 ( 0.994 -1.671 -1.119) 2.243 16.989 ( 3.288 1.065 -1.347) 3.709 17.039 ( -0.429 -1.273 2.156) 2.540 17.177 ( 1.720 0.174 -1.981) 2.629 19.967 ( -4.194 8.086 3.242) 9.669 20.100 ( -2.823 4.812 -3.195) 6.429 21.065 ( 1.704 -0.847 2.228) 2.930 21.247 ( 5.445 -1.030 -2.181) 5.955 22.670 ( -0.663 -5.302 5.719) 7.826 22.999 ( 3.714 -6.082 -6.025) 9.332 27.811 ( 1.038 0.188 4.664) 4.782 27.948 ( 0.070 2.184 -3.411) 4.051 29.506 ( -1.207 2.637 0.770) 3.001 29.621 ( 1.184 1.790 -3.266) 3.908 29.836 ( -3.310 1.560 1.794) 4.075 29.937 ( 1.047 0.606 0.737) 1.416 31.026 ( -1.503 1.207 1.425) 2.397 31.066 ( -2.415 1.425 -1.113) 3.017 31.213 ( -2.094 -4.466 0.117) 4.934 31.351 ( 4.139 -8.943 0.284) 9.858 31.711 ( 0.964 -2.831 -0.090) 2.992 31.733 ( 1.316 0.584 -0.607) 1.563 31.937 ( 0.660 1.573 4.581) 4.889 32.119 ( -1.500 -1.396 -4.868) 5.281 32.481 ( -3.968 1.235 -1.197) 4.325 32.553 ( 3.673 1.401 -1.011) 4.059 32.648 ( -7.175 1.438 5.402) 9.095 33.011 ( 7.172 2.194 -5.298) 9.183 34.402 ( 0.234 -3.831 -0.838) 3.928 34.466 ( 1.125 -8.609 -1.214) 8.767 34.632 ( -4.450 1.048 11.578) 12.448 35.084 ( 6.181 -0.468 -6.215) 8.778 36.083 ( -4.360 8.311 3.241) 9.929 36.355 ( 1.714 7.910 -6.077) 10.121 36.564 ( -12.880 4.804 5.769) 14.908 37.049 ( 11.050 7.277 -4.458) 13.961 ======================= Grid point 126 (59/95) ======================= q-point: (-0.22 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -5.408 -7.866 6.074) 11.314 1.967 ( -5.637 -2.297 7.303) 9.507 2.201 ( 1.168 -1.057 2.324) 2.808 2.299 ( -9.107 2.421 1.565) 9.552 2.627 ( -4.427 -4.242 2.550) 6.640 2.764 ( -2.546 8.173 3.705) 9.327 2.823 ( -6.532 -0.471 -4.920) 8.191 2.985 ( 5.602 1.512 5.292) 7.854 3.090 ( -4.969 0.528 -2.880) 5.768 3.306 ( 4.555 -4.954 -2.719) 7.258 3.341 ( -7.257 1.889 6.166) 9.708 3.391 ( -1.595 -3.656 -0.964) 4.104 3.660 ( 4.819 1.853 2.379) 5.684 3.705 ( -1.740 -2.422 -4.057) 5.035 3.950 ( 0.537 4.983 -3.083) 5.884 4.015 ( 3.508 -1.523 -8.250) 9.093 4.091 ( 7.786 -0.772 1.702) 8.007 4.194 ( 9.940 -0.339 -4.536) 10.932 4.374 ( -0.256 -5.425 2.861) 6.139 4.388 ( -3.297 -1.450 4.910) 6.089 4.507 ( 0.984 -0.696 -0.309) 1.245 4.634 ( 0.498 9.751 -1.612) 9.896 4.710 ( -0.991 -2.123 -2.874) 3.708 4.804 ( -3.036 -4.317 4.153) 6.716 4.895 ( -0.615 0.982 -5.596) 5.715 4.946 ( -2.044 -2.652 -1.784) 3.794 5.170 ( -1.583 3.839 4.382) 6.038 5.281 ( -7.120 1.053 2.834) 7.735 5.369 ( -6.724 -1.466 -4.568) 8.260 5.639 ( 4.877 -2.153 -1.587) 5.563 5.721 ( -3.291 -3.120 -1.848) 4.896 5.802 ( 2.373 -3.275 -2.348) 4.677 5.959 ( 6.470 3.110 1.774) 7.395 6.143 ( 11.036 -6.686 -1.908) 13.044 7.256 ( 0.438 -0.207 0.658) 0.817 7.349 ( 2.109 -5.133 1.525) 5.755 7.506 ( -1.056 1.018 -2.104) 2.565 7.698 ( 1.190 -5.326 0.275) 5.464 7.846 ( -2.855 3.369 1.014) 4.531 7.964 ( 1.936 6.808 0.260) 7.083 8.163 ( -2.640 -7.960 6.907) 10.864 8.257 ( 3.261 -5.917 3.282) 7.511 8.623 ( -1.680 6.482 -1.207) 6.804 8.811 ( 1.524 2.350 -3.270) 4.306 8.895 ( 0.007 3.001 -0.174) 3.006 8.948 ( -0.446 3.958 0.041) 3.983 9.089 ( 4.418 0.264 1.193) 4.584 9.261 ( 0.093 1.891 -4.462) 4.847 9.715 ( 0.916 -2.532 3.007) 4.036 9.853 ( 2.712 -5.010 -1.633) 5.927 10.188 ( -0.622 1.094 4.746) 4.910 10.390 ( 1.688 1.451 -4.882) 5.366 10.818 ( -1.008 -0.640 4.427) 4.585 10.944 ( -4.668 -0.079 -1.024) 4.780 11.317 ( -4.126 4.740 -2.567) 6.788 11.476 ( 0.003 3.986 1.087) 4.132 11.776 ( 1.891 -1.862 -1.677) 3.139 11.804 ( 2.384 -0.709 1.548) 2.930 12.611 ( -0.551 1.318 -1.187) 1.858 12.768 ( -5.042 0.825 -0.396) 5.124 12.999 ( 7.031 -0.643 -0.441) 7.074 13.049 ( 6.743 -1.276 -4.826) 8.390 13.583 ( -1.129 -0.946 -0.047) 1.474 13.714 ( 0.609 2.306 0.620) 2.465 13.850 ( -7.685 0.634 8.761) 11.671 13.979 ( -0.095 -0.319 3.676) 3.691 14.716 ( -2.178 2.190 -2.033) 3.698 14.815 ( -9.711 3.634 -0.137) 10.370 14.904 ( -7.354 4.814 2.430) 9.119 15.010 ( 3.819 -1.695 -6.820) 7.999 15.544 ( -2.921 7.088 1.250) 7.767 15.622 ( 4.521 6.716 0.391) 8.105 15.730 ( -4.095 6.383 -2.765) 8.072 15.820 ( -0.852 3.261 3.094) 4.575 16.472 ( -4.284 -5.596 1.784) 7.270 16.646 ( -0.112 1.576 2.238) 2.739 16.700 ( 0.042 -2.504 -2.897) 3.829 16.926 ( 3.916 0.168 -0.312) 3.933 16.944 ( 0.492 -3.041 -0.513) 3.123 16.998 ( 3.782 1.442 -0.861) 4.138 17.066 ( -0.369 -2.300 0.588) 2.403 17.177 ( 0.745 0.496 -1.350) 1.620 19.810 ( -5.270 5.732 3.237) 8.432 19.985 ( -2.159 4.481 -3.778) 6.246 21.118 ( 2.903 -1.687 1.914) 3.865 21.312 ( 4.999 -1.317 -2.086) 5.575 22.781 ( 0.903 -5.600 5.632) 7.994 23.106 ( 3.263 -4.586 -5.908) 8.160 27.828 ( 0.370 -0.162 3.448) 3.472 27.905 ( 0.990 2.780 -2.146) 3.649 29.471 ( -2.272 -0.099 0.250) 2.288 29.603 ( 0.742 0.496 -2.334) 2.499 29.759 ( -3.220 3.975 1.542) 5.343 29.924 ( 0.965 2.157 0.426) 2.401 30.995 ( -1.836 0.950 2.104) 2.949 31.017 ( -2.285 1.232 -1.533) 3.015 31.278 ( -1.828 -5.525 0.205) 5.823 31.550 ( 5.266 -8.619 0.138) 10.102 31.685 ( -3.035 3.450 1.106) 4.726 31.762 ( 2.945 -0.691 0.509) 3.068 31.979 ( 2.131 -2.740 4.676) 5.823 32.101 ( -3.649 -0.891 -6.112) 7.174 32.435 ( -1.917 0.458 -1.737) 2.627 32.514 ( -2.486 2.695 -2.542) 4.461 32.590 ( -2.843 1.893 4.671) 5.787 33.016 ( 7.365 3.369 -5.636) 9.866 34.470 ( -2.124 -5.259 1.899) 5.981 34.597 ( -3.256 -0.484 7.922) 8.579 34.658 ( 3.507 -8.680 2.052) 9.584 35.157 ( 10.989 -0.776 -6.523) 12.802 35.900 ( -5.515 9.352 3.633) 11.449 36.169 ( -5.338 8.261 -7.031) 12.090 36.370 ( -11.935 5.827 3.653) 13.775 37.056 ( 13.163 4.934 -1.616) 14.150 ======================= Grid point 127 (60/95) ======================= q-point: (-0.11 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -5.030 -2.906 10.385) 11.899 1.921 ( 1.294 6.130 6.018) 8.687 2.148 ( -1.438 1.913 0.942) 2.572 2.258 ( -4.576 2.726 1.541) 5.545 2.517 ( -2.368 5.395 -3.128) 6.671 2.674 ( -5.153 3.218 6.034) 8.562 2.719 ( -9.070 1.691 -0.401) 9.235 3.041 ( 3.959 1.036 0.024) 4.093 3.173 ( -4.143 -14.791 -2.324) 15.535 3.268 ( -2.103 2.373 3.641) 4.828 3.399 ( 2.397 -2.830 -3.823) 5.327 3.503 ( 0.468 -4.939 10.369) 11.495 3.619 ( 1.094 2.672 -6.510) 7.122 3.714 ( 0.870 0.368 1.923) 2.142 3.843 ( -0.082 4.756 -6.211) 7.823 4.062 ( 4.715 -0.844 -7.722) 9.087 4.180 ( 9.524 1.275 2.381) 9.899 4.287 ( 9.691 0.583 -2.473) 10.019 4.375 ( -4.916 -0.010 0.274) 4.924 4.462 ( 0.611 -0.584 7.213) 7.263 4.502 ( 3.841 5.070 0.276) 6.367 4.553 ( 2.410 -3.226 0.671) 4.082 4.705 ( -0.197 -0.264 -4.935) 4.946 4.833 ( -3.342 -1.270 0.275) 3.586 4.856 ( -0.697 0.077 -1.897) 2.022 5.007 ( -0.587 0.067 0.819) 1.010 5.048 ( -0.058 4.529 -2.509) 5.178 5.188 ( -10.923 -1.309 1.466) 11.098 5.385 ( -2.342 -4.641 -2.553) 5.791 5.640 ( -7.843 0.674 -1.568) 8.026 5.760 ( 3.199 -2.197 -0.298) 3.892 5.845 ( 2.300 -1.102 -4.275) 4.978 5.982 ( 4.298 0.843 1.699) 4.698 6.338 ( 7.521 -5.352 -0.727) 9.260 7.255 ( -0.192 -0.940 -3.150) 3.293 7.442 ( 5.538 0.764 -2.679) 6.199 7.496 ( -4.110 -3.812 3.139) 6.424 7.744 ( -0.904 1.092 -1.688) 2.204 7.753 ( -3.296 2.953 0.754) 4.490 7.927 ( 1.819 -0.128 3.194) 3.678 8.297 ( -1.647 -8.462 4.423) 9.689 8.409 ( 3.592 -5.950 2.675) 7.448 8.501 ( -2.354 5.767 2.862) 6.855 8.750 ( -0.441 4.575 -2.998) 5.488 8.860 ( 2.877 1.877 0.498) 3.471 8.898 ( 1.455 2.371 0.620) 2.850 9.125 ( 1.954 -0.569 -0.584) 2.118 9.254 ( -1.147 -2.260 -0.195) 2.542 9.754 ( -0.963 -2.235 0.065) 2.434 9.969 ( 3.267 -4.738 0.622) 5.789 10.128 ( -4.127 3.565 -0.203) 5.457 10.400 ( 2.447 -0.550 -1.447) 2.895 10.829 ( -0.257 0.078 2.364) 2.379 10.892 ( -4.214 0.560 0.187) 4.255 11.216 ( -0.639 3.240 -2.768) 4.309 11.435 ( 1.891 2.556 1.349) 3.454 11.797 ( 0.151 -0.950 -2.500) 2.678 11.837 ( 0.590 -0.318 2.083) 2.188 12.584 ( 0.117 0.781 -2.497) 2.618 12.747 ( -1.954 -1.928 0.822) 2.866 13.068 ( 3.351 -1.261 0.350) 3.598 13.117 ( 6.176 -1.142 -4.331) 7.629 13.590 ( 0.001 -0.266 0.616) 0.671 13.679 ( -0.320 2.067 2.111) 2.971 13.796 ( -6.918 0.549 7.558) 10.260 13.974 ( -2.400 0.503 2.132) 3.249 14.587 ( -7.650 5.013 -0.415) 9.155 14.654 ( -6.601 4.240 -0.957) 7.903 14.817 ( -3.700 1.459 4.686) 6.147 15.070 ( 4.249 -2.807 -8.007) 9.489 15.462 ( 1.600 2.493 0.869) 3.087 15.575 ( 4.958 4.519 0.092) 6.709 15.588 ( -1.133 5.973 -2.629) 6.624 15.779 ( 0.443 2.299 2.367) 3.330 16.508 ( -4.530 -3.181 1.780) 5.815 16.630 ( 1.002 1.380 4.547) 4.856 16.727 ( -0.746 -2.075 -5.377) 5.811 16.944 ( 3.164 1.872 0.824) 3.768 16.974 ( -1.189 -1.468 -1.385) 2.342 17.012 ( 4.225 0.991 -1.691) 4.658 17.106 ( 0.995 -1.461 0.104) 1.771 17.171 ( -0.568 -0.049 -0.194) 0.602 19.711 ( -2.801 2.625 2.409) 4.532 19.902 ( -0.213 2.790 -3.575) 4.540 21.174 ( 1.162 -1.945 2.046) 3.053 21.364 ( 2.306 -1.325 -2.198) 3.451 22.884 ( 0.601 -3.448 5.050) 6.144 23.171 ( 1.983 -2.082 -5.494) 6.201 27.836 ( -0.197 1.332 2.539) 2.874 27.876 ( 0.742 -0.299 -1.297) 1.523 29.462 ( -2.399 -1.322 -0.398) 2.767 29.601 ( 0.590 0.187 -1.892) 1.991 29.678 ( -1.301 3.199 2.560) 4.299 29.897 ( 1.134 1.917 0.064) 2.228 30.958 ( -1.572 2.119 0.890) 2.784 30.994 ( -0.796 -0.738 -0.042) 1.087 31.361 ( -0.793 -5.942 0.352) 6.005 31.584 ( -5.102 3.705 1.712) 6.534 31.708 ( 5.010 -3.375 -0.061) 6.041 31.791 ( 2.361 0.980 1.213) 2.830 32.047 ( -3.546 -0.281 -3.486) 4.980 32.064 ( 0.265 -2.951 1.552) 3.345 32.407 ( -0.176 1.625 -1.835) 2.457 32.445 ( -2.661 1.138 -2.571) 3.871 32.548 ( -0.303 1.784 2.306) 2.931 33.011 ( 6.095 2.873 -6.189) 9.149 34.525 ( -5.254 -2.741 6.388) 8.714 34.596 ( -0.513 -0.858 7.474) 7.540 34.841 ( 4.038 -5.655 0.013) 6.949 35.284 ( 13.028 -3.578 -6.665) 15.065 35.704 ( -5.826 7.257 1.946) 9.507 36.002 ( -9.582 1.027 -5.225) 10.962 36.186 ( -5.933 6.285 2.631) 9.035 37.112 ( 9.156 1.001 -0.535) 9.226 ======================= Grid point 133 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -8.552 0.000 12.259) 14.947 1.825 ( -8.671 0.000 23.362) 24.920 2.088 ( 2.193 -0.000 -7.491) 7.805 2.105 ( -5.091 0.000 0.421) 5.108 2.630 ( 2.184 -0.000 -4.000) 4.558 2.844 ( -0.035 0.000 -0.683) 0.684 2.966 ( 0.097 -0.000 -1.886) 1.888 3.081 ( -2.481 0.000 8.608) 8.958 3.166 ( 3.924 -0.000 -9.513) 10.290 3.342 ( -4.250 0.000 2.001) 4.697 3.471 ( -2.024 0.000 -7.488) 7.757 3.489 ( -3.601 0.000 3.485) 5.011 3.591 ( 2.534 -0.000 -1.841) 3.132 3.661 ( -3.184 0.000 13.153) 13.533 3.699 ( -2.055 0.000 -9.640) 9.857 3.857 ( 7.615 -0.000 7.558) 10.729 4.040 ( 3.920 -0.000 -3.270) 5.105 4.309 ( -5.610 0.000 -1.236) 5.745 4.314 ( 2.527 -0.000 -5.810) 6.335 4.406 ( 10.691 -0.000 -3.708) 11.316 4.459 ( -3.229 0.000 2.505) 4.086 4.629 ( -7.397 0.000 -14.323) 16.121 4.718 ( -9.018 0.000 5.670) 10.652 4.761 ( -0.318 0.000 5.392) 5.401 4.912 ( -2.483 0.000 -5.188) 5.752 5.151 ( 7.021 -0.000 -3.553) 7.868 5.159 ( -7.310 0.000 7.606) 10.549 5.278 ( 4.858 -0.000 5.130) 7.065 5.546 ( 0.678 -0.000 -3.808) 3.868 5.637 ( -1.118 0.000 4.509) 4.646 5.690 ( 4.223 -0.000 -10.167) 11.009 5.709 ( 1.206 -0.000 1.637) 2.033 5.776 ( 3.714 -0.000 -0.390) 3.734 5.811 ( 1.402 -0.000 0.635) 1.539 6.952 ( 4.435 -0.000 12.618) 13.375 7.399 ( 1.482 -0.000 -8.357) 8.487 7.643 ( -0.043 0.000 2.546) 2.546 7.654 ( -2.787 0.000 5.289) 5.979 7.739 ( -0.683 0.000 4.473) 4.525 7.803 ( 0.221 -0.000 -3.432) 3.439 8.171 ( -1.546 0.000 2.366) 2.826 8.300 ( 1.452 -0.000 -1.544) 2.119 8.738 ( 2.718 -0.000 0.926) 2.871 8.838 ( -0.260 0.000 -6.921) 6.926 9.054 ( -1.671 0.000 -1.112) 2.007 9.066 ( -9.177 0.000 -0.202) 9.179 9.240 ( 9.054 -0.000 -1.495) 9.176 9.271 ( 1.546 -0.000 -2.280) 2.755 9.609 ( 4.532 -0.000 2.410) 5.133 9.696 ( 0.793 -0.000 -4.702) 4.768 10.175 ( 0.642 -0.000 10.133) 10.153 10.509 ( 0.588 -0.000 -6.998) 7.023 10.811 ( -1.080 0.000 3.542) 3.704 10.898 ( -3.158 0.000 0.510) 3.199 11.513 ( -7.992 0.000 -2.158) 8.278 11.626 ( -5.515 0.000 1.173) 5.638 11.669 ( 6.115 -0.000 -1.105) 6.214 11.752 ( 4.325 -0.000 0.999) 4.439 12.672 ( -1.682 0.000 2.396) 2.927 12.882 ( 0.550 -0.000 -1.305) 1.416 12.899 ( 2.105 -0.000 0.003) 2.105 13.014 ( 6.730 -0.000 -7.042) 9.741 13.563 ( -0.517 0.000 -2.084) 2.147 13.750 ( 5.480 -0.000 -5.757) 7.948 13.922 ( -3.812 0.000 12.971) 13.520 13.985 ( -7.401 0.000 3.846) 8.341 14.739 ( 2.938 -0.000 -0.908) 3.075 14.844 ( 1.418 -0.000 -7.603) 7.734 15.075 ( -2.760 0.000 2.920) 4.018 15.116 ( -6.645 0.000 -0.557) 6.668 15.843 ( 0.602 -0.000 1.097) 1.251 15.870 ( 3.872 -0.000 -2.243) 4.474 15.935 ( -8.550 0.000 1.912) 8.761 15.969 ( -4.932 0.000 3.954) 6.322 16.269 ( -2.524 0.000 2.976) 3.903 16.500 ( 2.078 -0.000 -4.765) 5.198 16.779 ( -2.214 0.000 3.418) 4.072 16.813 ( 0.098 -0.000 -2.527) 2.528 16.838 ( 1.217 -0.000 -1.383) 1.842 17.008 ( 3.621 -0.000 -1.281) 3.841 17.029 ( 1.025 -0.000 3.549) 3.694 17.174 ( 2.033 -0.000 -2.033) 2.875 20.165 ( -6.450 0.000 -2.478) 6.910 20.167 ( -2.583 0.000 2.966) 3.932 21.068 ( 2.564 -0.000 2.035) 3.274 21.234 ( 6.009 -0.000 -0.972) 6.087 22.573 ( -0.558 0.000 4.284) 4.320 22.864 ( 4.531 -0.000 -5.470) 7.103 27.823 ( 2.689 -0.000 6.593) 7.120 27.981 ( -0.865 0.000 -4.775) 4.852 29.637 ( -1.784 0.000 -4.170) 4.535 29.658 ( 3.688 -0.000 -0.843) 3.783 29.829 ( -2.751 0.000 3.261) 4.266 29.903 ( -0.407 0.000 2.707) 2.737 31.042 ( -0.670 0.000 2.006) 2.115 31.094 ( -3.459 0.000 -1.222) 3.668 31.145 ( 0.347 -0.000 -2.132) 2.160 31.173 ( -0.916 0.000 0.255) 0.951 31.645 ( 1.792 -0.000 1.700) 2.470 31.729 ( 4.595 -0.000 -2.286) 5.132 31.997 ( -0.900 0.000 2.587) 2.739 32.107 ( -0.642 0.000 -2.312) 2.400 32.499 ( -6.914 0.000 -2.427) 7.328 32.559 ( 4.591 -0.000 1.224) 4.751 32.675 ( -8.562 0.000 4.396) 9.624 33.046 ( 8.353 -0.000 -4.641) 9.556 34.302 ( 0.543 -0.000 0.402) 0.676 34.356 ( 1.433 -0.000 -3.908) 4.162 34.646 ( -4.694 0.000 11.554) 12.471 35.070 ( 4.868 -0.000 -5.719) 7.510 36.227 ( -7.556 0.000 1.387) 7.682 36.515 ( 9.439 -0.000 -0.844) 9.476 36.656 ( -13.038 0.000 4.248) 13.713 37.196 ( 7.985 -0.000 -6.367) 10.213 ======================= Grid point 134 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -9.784 -10.731 9.724) 17.477 1.817 ( -15.275 -3.513 25.467) 29.904 2.025 ( -1.163 -0.852 -4.752) 4.966 2.206 ( -0.749 -10.456 -4.059) 11.241 2.602 ( -3.694 3.713 -4.781) 7.091 2.806 ( -1.926 3.380 -2.528) 4.640 2.974 ( 2.654 -0.152 0.227) 2.668 3.062 ( -3.525 1.691 9.568) 10.335 3.167 ( 1.240 -0.684 -1.754) 2.254 3.337 ( -3.082 -0.981 -2.278) 3.956 3.407 ( -4.121 7.079 0.678) 8.219 3.452 ( -5.548 1.684 1.049) 5.892 3.532 ( 1.720 0.776 -5.925) 6.218 3.640 ( 3.568 -1.606 0.859) 4.006 3.794 ( 0.030 -6.922 2.801) 7.467 3.967 ( 5.453 -3.141 2.416) 6.740 4.070 ( 1.970 -1.574 -4.808) 5.429 4.219 ( -4.090 0.511 -4.272) 5.936 4.309 ( -7.425 -3.533 -1.013) 8.285 4.431 ( 1.104 4.945 -0.661) 5.110 4.483 ( 5.233 -0.167 0.746) 5.288 4.589 ( 1.599 -2.942 -12.785) 13.216 4.666 ( -5.452 -1.620 3.606) 6.734 4.751 ( -6.246 -0.435 7.092) 9.461 4.894 ( -0.440 -1.717 -4.438) 4.779 5.034 ( -7.225 5.094 -3.916) 9.669 5.180 ( 1.123 3.360 5.273) 6.352 5.323 ( 4.205 1.185 4.663) 6.390 5.586 ( -1.109 -2.651 -3.325) 4.395 5.613 ( -2.889 6.103 -0.910) 6.814 5.632 ( 6.953 2.448 2.632) 7.828 5.695 ( 3.343 -0.628 -6.130) 7.011 5.908 ( 4.097 -6.794 0.794) 7.973 5.935 ( 9.279 -6.875 -1.436) 11.637 7.086 ( 6.622 -4.709 12.387) 14.814 7.385 ( 0.941 1.333 -10.157) 10.288 7.557 ( 0.697 3.216 7.375) 8.076 7.676 ( 1.681 5.076 -2.681) 5.982 7.775 ( -2.248 -7.092 3.354) 8.161 7.885 ( 0.316 -6.294 4.929) 8.000 8.162 ( -0.495 0.080 1.653) 1.728 8.256 ( 0.610 5.441 -1.081) 5.581 8.776 ( 2.096 -0.393 -3.154) 3.808 8.794 ( -0.949 1.124 -4.416) 4.654 8.969 ( -7.182 1.620 1.981) 7.624 9.023 ( -1.328 1.450 -2.943) 3.540 9.233 ( 4.653 4.658 -0.576) 6.609 9.328 ( 5.721 0.334 -2.602) 6.294 9.676 ( 6.616 -0.140 3.505) 7.488 9.722 ( 2.986 -2.346 -3.949) 5.479 10.205 ( 0.410 0.161 8.857) 8.868 10.473 ( 0.683 2.395 -7.244) 7.660 10.805 ( -1.656 0.209 4.227) 4.545 10.887 ( -4.639 -2.676 -0.032) 5.355 11.413 ( -8.843 1.152 -2.919) 9.383 11.558 ( -7.157 0.665 2.020) 7.466 11.733 ( 6.650 -0.245 -1.285) 6.778 11.796 ( 4.043 0.015 0.873) 4.136 12.664 ( 1.258 1.322 0.620) 1.928 12.846 ( -1.823 2.938 -1.988) 3.989 12.947 ( 3.489 -2.051 -0.112) 4.048 13.060 ( 8.487 0.668 -5.033) 9.890 13.555 ( -0.627 -0.361 -2.467) 2.571 13.767 ( 1.012 0.660 -2.184) 2.496 13.900 ( -5.067 2.008 9.931) 11.328 13.955 ( -1.621 -1.100 4.023) 4.475 14.758 ( 2.193 0.758 -0.690) 2.421 14.838 ( -1.646 -1.144 -6.305) 6.616 15.019 ( -7.398 2.293 -1.615) 7.912 15.030 ( -6.660 1.109 2.898) 7.347 15.775 ( -7.330 5.358 3.216) 9.632 15.842 ( -1.360 4.395 -2.345) 5.164 15.862 ( -2.116 2.111 0.268) 3.001 15.906 ( -6.279 2.036 3.508) 7.476 16.296 ( -1.393 -4.183 2.151) 4.906 16.539 ( 2.118 -3.375 -5.443) 6.746 16.750 ( -1.590 1.619 2.970) 3.738 16.842 ( 2.090 -1.998 0.035) 2.892 16.870 ( 2.235 -2.494 -2.442) 4.144 17.033 ( 2.444 0.677 -0.022) 2.536 17.045 ( 1.680 0.318 2.519) 3.045 17.186 ( 1.453 0.054 -1.891) 2.385 20.033 ( -8.698 5.913 1.533) 10.629 20.106 ( -6.709 2.222 -0.658) 7.098 21.115 ( 7.255 0.723 1.221) 7.393 21.297 ( 7.240 -0.085 -0.823) 7.287 22.615 ( 1.423 -3.225 4.365) 5.611 22.935 ( 5.300 -4.286 -5.742) 8.912 27.860 ( 2.913 1.564 7.331) 8.042 27.965 ( 1.311 0.396 -4.642) 4.840 29.552 ( -2.166 4.758 -2.165) 5.658 29.664 ( 1.603 2.747 -2.134) 3.830 29.827 ( -1.669 -0.744 2.183) 2.847 29.920 ( -2.284 -1.979 2.546) 3.952 31.024 ( -2.859 0.999 1.039) 3.201 31.054 ( -2.589 0.849 -1.666) 3.193 31.155 ( 0.060 -1.774 -1.354) 2.232 31.231 ( 0.278 -8.111 1.525) 8.258 31.684 ( 2.037 -1.425 1.563) 2.937 31.777 ( 6.294 0.328 -2.515) 6.786 31.974 ( -1.385 1.744 3.047) 3.774 32.091 ( -0.869 0.139 -2.739) 2.877 32.428 ( -6.688 -0.537 -2.103) 7.032 32.575 ( -4.988 0.800 -2.029) 5.444 32.615 ( -2.475 -0.073 6.922) 7.351 33.097 ( 7.623 1.286 -6.227) 9.927 34.342 ( 0.653 -3.240 -0.684) 3.375 34.376 ( 1.044 -3.138 -2.770) 4.314 34.644 ( -2.311 0.310 13.017) 13.224 35.120 ( 7.636 -0.984 -5.726) 9.595 36.120 ( -8.952 3.380 0.853) 9.607 36.494 ( -9.740 5.893 11.683) 16.312 36.545 ( 1.780 5.550 -9.687) 11.305 37.233 ( 10.594 3.540 -4.234) 11.945 ======================= Grid point 135 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -8.963 -15.056 8.280) 19.380 1.816 ( -11.839 -6.952 16.280) 21.296 2.080 ( -3.321 -7.288 2.634) 8.431 2.370 ( -9.401 8.311 -3.906) 13.141 2.400 ( -8.070 -13.095 -1.808) 15.488 2.705 ( -3.887 3.059 -5.524) 7.415 2.945 ( -2.175 6.749 9.239) 11.646 3.043 ( 0.628 3.171 -1.019) 3.389 3.170 ( -3.422 8.065 -2.496) 9.109 3.234 ( -1.864 -4.806 7.352) 8.979 3.327 ( -3.181 3.741 -3.311) 5.923 3.351 ( -1.121 -0.124 -1.374) 1.777 3.606 ( 1.384 -6.404 -4.618) 8.015 3.715 ( 4.199 -1.502 1.476) 4.697 3.934 ( 2.555 -6.650 1.618) 7.306 4.016 ( 0.214 0.894 -7.311) 7.369 4.140 ( 4.466 -3.816 4.061) 7.141 4.217 ( -0.117 -2.075 -3.954) 4.467 4.280 ( -6.862 -3.250 -2.074) 7.870 4.371 ( 1.049 0.774 3.118) 3.380 4.499 ( -1.322 0.209 0.526) 1.438 4.639 ( 2.143 -3.310 -7.968) 8.890 4.698 ( -3.391 -3.149 4.380) 6.372 4.721 ( -4.527 -2.379 2.620) 5.746 4.875 ( -3.507 5.565 -6.236) 9.064 4.914 ( 3.154 0.127 -2.860) 4.259 5.159 ( -3.132 -2.336 4.427) 5.905 5.332 ( 4.278 3.865 2.296) 6.206 5.418 ( -2.572 12.092 -1.150) 12.415 5.597 ( -4.940 -2.500 -4.769) 7.307 5.673 ( 2.796 -2.203 0.670) 3.622 5.784 ( 7.986 -2.373 -1.972) 8.562 6.044 ( 6.466 -2.117 -0.902) 6.863 6.149 ( 12.950 -6.141 -0.872) 14.358 7.250 ( 3.656 -3.272 5.540) 7.400 7.326 ( 0.868 1.530 -3.135) 3.595 7.565 ( 3.391 3.186 2.605) 5.333 7.640 ( 1.401 -2.012 -2.348) 3.395 7.834 ( -3.605 -1.903 1.120) 4.228 8.006 ( -0.005 -4.583 8.522) 9.676 8.150 ( 0.800 5.010 3.624) 6.235 8.214 ( 3.289 -3.315 1.278) 4.841 8.690 ( -1.780 4.851 -5.697) 7.692 8.832 ( 1.868 -0.993 -2.748) 3.468 8.896 ( -5.055 0.497 2.797) 5.799 8.974 ( -1.347 1.938 -3.428) 4.161 9.201 ( 5.474 4.525 0.962) 7.167 9.328 ( 4.947 4.527 -2.799) 7.267 9.718 ( 2.906 0.063 -1.313) 3.190 9.827 ( 7.250 -3.485 2.489) 8.420 10.219 ( -0.449 1.174 5.117) 5.269 10.421 ( 1.301 2.090 -5.437) 5.969 10.795 ( -3.455 -0.782 3.156) 4.745 10.889 ( -3.504 -1.772 0.646) 3.979 11.303 ( -7.600 1.379 -3.258) 8.383 11.492 ( -5.320 0.669 1.948) 5.705 11.785 ( 3.988 0.019 -1.977) 4.452 11.830 ( 3.362 0.225 1.480) 3.680 12.651 ( 2.896 2.608 -2.242) 4.496 12.764 ( -2.014 3.021 -0.180) 3.635 13.016 ( 3.460 -2.042 -0.337) 4.032 13.118 ( 8.742 0.734 -4.422) 9.824 13.555 ( -0.460 -1.175 -1.160) 1.714 13.732 ( -4.399 1.117 2.342) 5.107 13.851 ( -2.096 2.824 8.043) 8.778 13.976 ( -0.333 -0.717 1.611) 1.795 14.724 ( -6.235 2.733 -1.782) 7.037 14.772 ( -6.845 2.109 -1.736) 7.369 14.917 ( -5.630 3.057 3.423) 7.263 14.981 ( -0.559 -1.545 -4.711) 4.989 15.597 ( -9.325 5.765 2.362) 11.215 15.729 ( -4.960 4.092 -1.559) 6.616 15.790 ( 0.670 6.403 -1.450) 6.600 15.823 ( -7.285 0.548 4.089) 8.372 16.365 ( -1.062 -4.289 1.409) 4.638 16.598 ( 0.758 -3.559 -5.125) 6.285 16.724 ( 0.615 1.773 2.399) 3.045 16.893 ( -0.727 -2.850 1.053) 3.124 16.946 ( 4.703 -2.670 -1.867) 5.721 17.031 ( -0.031 0.274 -0.272) 0.387 17.069 ( 3.671 0.733 1.755) 4.134 17.185 ( 0.463 0.537 -1.278) 1.461 19.845 ( -9.522 5.853 3.411) 11.686 19.998 ( -5.490 2.610 -3.199) 6.869 21.175 ( 7.687 1.446 1.446) 7.954 21.357 ( 6.385 0.499 -1.441) 6.564 22.725 ( 3.430 -5.249 4.761) 7.873 23.048 ( 4.955 -4.855 -6.020) 9.185 27.864 ( 1.464 2.268 4.813) 5.519 27.956 ( 2.342 2.213 -1.768) 3.675 29.454 ( -3.938 2.341 -1.421) 4.797 29.618 ( -0.406 2.014 -1.925) 2.816 29.801 ( -1.499 2.780 1.619) 3.549 29.930 ( -2.209 -0.973 1.628) 2.912 30.981 ( -3.337 0.353 0.824) 3.455 31.009 ( -2.503 1.034 -1.316) 3.011 31.200 ( 0.687 -3.539 -0.693) 3.671 31.430 ( 3.952 -11.157 1.858) 11.981 31.705 ( -0.845 1.026 0.693) 1.499 31.806 ( 4.825 1.459 -0.185) 5.044 31.974 ( 1.418 -1.510 2.282) 3.082 32.067 ( -0.929 0.871 -3.490) 3.716 32.389 ( -4.282 -1.638 -1.694) 4.887 32.483 ( -8.193 0.841 -0.523) 8.252 32.612 ( -1.496 1.228 3.549) 4.042 33.110 ( 5.904 2.344 -8.105) 10.298 34.383 ( -1.647 -3.286 -1.072) 3.829 34.490 ( 2.196 -8.005 -0.871) 8.346 34.669 ( 0.925 0.183 14.095) 14.126 35.216 ( 10.427 -2.179 -5.841) 12.149 35.964 ( -9.221 5.407 1.560) 10.803 36.277 ( -10.193 11.681 7.265) 17.120 36.393 ( -2.958 7.765 -7.898) 11.464 37.258 ( 11.445 5.436 -1.961) 12.821 ======================= Grid point 136 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -9.900 -10.209 15.199) 20.814 1.941 ( -0.912 -7.705 4.932) 9.194 2.073 ( -18.204 2.659 1.136) 18.432 2.177 ( -5.675 -7.489 4.992) 10.640 2.511 ( -2.997 0.118 -8.228) 8.758 2.691 ( -1.794 -3.106 -3.062) 4.716 2.810 ( 0.296 9.727 10.137) 14.052 2.889 ( -7.026 -1.678 -3.418) 7.991 3.125 ( 1.991 1.257 0.231) 2.366 3.249 ( -5.128 -2.506 5.657) 8.036 3.296 ( -3.882 -2.480 -9.206) 10.294 3.424 ( 3.257 -5.644 5.510) 8.533 3.680 ( 1.478 -0.605 -3.797) 4.119 3.750 ( 2.717 1.271 -0.431) 3.031 3.913 ( -0.256 4.248 -4.495) 6.190 4.078 ( 5.292 -2.508 -1.062) 5.951 4.184 ( -4.901 -2.751 0.447) 5.638 4.306 ( 2.817 -2.815 2.923) 4.940 4.335 ( -1.889 -8.905 0.363) 9.111 4.399 ( 1.086 -0.642 -2.295) 2.619 4.498 ( -1.333 -2.047 2.844) 3.749 4.652 ( -6.060 -1.727 3.605) 7.259 4.691 ( 3.545 3.150 0.226) 4.747 4.770 ( -0.704 -2.565 -8.520) 8.925 4.786 ( -0.553 -2.152 -0.708) 2.332 4.951 ( 1.544 -2.385 0.025) 2.842 5.154 ( -1.634 10.844 1.114) 11.023 5.226 ( -0.438 0.324 -1.413) 1.515 5.319 ( 5.168 1.950 -0.934) 5.602 5.565 ( -5.285 -0.760 -4.180) 6.781 5.742 ( 1.173 -3.096 -0.479) 3.346 5.872 ( 6.816 0.283 -0.179) 6.825 6.077 ( 5.560 3.814 -2.592) 7.223 6.343 ( 9.334 -3.762 -0.043) 10.064 7.246 ( 0.599 1.008 -4.812) 4.953 7.396 ( 0.055 -4.259 5.226) 6.742 7.539 ( 5.635 3.666 -3.460) 7.561 7.704 ( -0.704 -3.060 2.020) 3.734 7.785 ( -3.587 2.824 -0.887) 4.651 8.010 ( 2.754 4.903 0.631) 5.659 8.188 ( -0.594 -5.162 11.611) 12.721 8.352 ( 4.396 -6.404 3.580) 8.553 8.576 ( -1.802 5.175 -2.312) 5.947 8.797 ( -2.190 3.204 -0.689) 3.942 8.882 ( -1.772 0.361 -0.674) 1.930 8.921 ( -1.342 0.608 -1.596) 2.172 9.194 ( 4.671 3.185 0.850) 5.717 9.284 ( 4.804 4.754 -1.083) 6.845 9.743 ( 2.958 -0.266 -1.147) 3.184 9.953 ( 5.860 -2.801 2.215) 6.862 10.164 ( -2.417 4.414 -0.603) 5.068 10.411 ( 1.668 -0.042 -1.565) 2.288 10.794 ( -2.997 -2.208 1.079) 3.876 10.878 ( -2.023 0.228 1.868) 2.763 11.215 ( -5.037 0.678 -2.949) 5.875 11.451 ( -3.401 -0.069 1.656) 3.784 11.796 ( 1.514 0.665 -2.215) 2.764 11.856 ( 2.056 0.561 1.531) 2.625 12.617 ( 2.113 2.736 -3.228) 4.730 12.737 ( 1.656 0.716 1.047) 2.086 13.069 ( 1.972 -1.287 -0.553) 2.419 13.170 ( 6.764 0.796 -3.552) 7.681 13.575 ( -0.266 -1.518 0.253) 1.562 13.686 ( -4.082 0.136 3.570) 5.424 13.799 ( -2.752 3.518 7.101) 8.389 13.967 ( -2.112 0.625 0.670) 2.302 14.562 ( -10.678 3.213 -0.548) 11.164 14.670 ( -4.348 3.510 -1.276) 5.732 14.832 ( -3.798 2.763 5.699) 7.385 15.031 ( 3.461 -3.634 -7.211) 8.785 15.471 ( -5.423 1.061 0.194) 5.529 15.621 ( -5.054 2.418 -1.220) 5.734 15.675 ( -1.809 5.747 -0.386) 6.037 15.772 ( -6.175 -0.798 2.776) 6.818 16.419 ( -1.698 -3.452 1.441) 4.108 16.637 ( -0.404 -2.179 -1.375) 2.609 16.718 ( 2.575 1.205 -0.449) 2.878 16.921 ( -2.512 -2.178 0.148) 3.328 16.998 ( 2.647 0.777 -0.166) 2.764 17.038 ( 0.737 -0.972 -2.151) 2.473 17.104 ( 3.327 -0.554 1.563) 3.717 17.174 ( -0.058 0.702 -0.563) 0.902 19.714 ( -5.806 1.952 2.700) 6.694 19.911 ( -3.276 1.509 -3.545) 5.057 21.213 ( 5.233 1.973 2.108) 5.976 21.386 ( 3.687 1.188 -2.247) 4.478 22.854 ( 3.388 -3.973 4.770) 7.072 23.139 ( 3.732 -2.987 -5.751) 7.478 27.852 ( -0.133 1.251 3.828) 4.030 27.919 ( 1.291 3.448 -1.466) 3.963 29.406 ( -3.783 -1.262 -0.788) 4.065 29.593 ( -0.305 -0.151 -2.025) 2.054 29.736 ( -1.179 3.588 2.443) 4.498 29.917 ( -1.625 0.530 0.585) 1.807 30.962 ( -3.014 -0.164 2.785) 4.107 30.970 ( -0.905 0.029 -2.576) 2.731 31.279 ( 1.812 -4.696 0.054) 5.034 31.570 ( -3.025 -0.782 0.270) 3.136 31.712 ( 4.739 -2.816 2.523) 6.063 31.831 ( 3.278 0.705 1.369) 3.621 32.006 ( -1.910 0.574 -5.660) 6.001 32.060 ( 4.155 -1.464 2.511) 5.071 32.386 ( -2.076 -2.094 -2.383) 3.791 32.410 ( -5.107 -0.290 -0.249) 5.121 32.567 ( -3.360 1.809 1.684) 4.171 33.086 ( 3.218 2.899 -8.604) 9.632 34.424 ( -3.257 -4.377 1.984) 5.805 34.610 ( 0.958 -2.367 4.678) 5.330 34.772 ( 4.541 -6.367 7.841) 11.074 35.336 ( 9.596 -1.734 -6.234) 11.574 35.776 ( -9.035 7.376 2.565) 11.942 36.011 ( -5.272 10.354 0.446) 11.628 36.232 ( -4.133 5.049 -3.115) 7.230 37.245 ( 6.567 6.086 -0.740) 8.984 ======================= Grid point 143 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -14.239 0.000 11.711) 18.437 1.698 ( -20.846 0.000 33.269) 39.261 2.027 ( -3.187 0.000 -2.058) 3.794 2.034 ( -2.263 0.000 -10.810) 11.045 2.545 ( -13.614 0.000 -7.537) 15.561 2.846 ( 0.550 -0.000 0.435) 0.702 2.975 ( 0.845 -0.000 1.489) 1.712 3.086 ( -1.858 0.000 13.811) 13.935 3.166 ( -0.496 0.000 -4.316) 4.345 3.293 ( -1.317 0.000 -3.278) 3.533 3.391 ( -4.876 0.000 -1.250) 5.034 3.432 ( -4.315 0.000 5.292) 6.828 3.597 ( 2.499 -0.000 -18.596) 18.763 3.654 ( 2.291 -0.000 1.971) 3.022 3.727 ( 2.423 -0.000 11.171) 11.431 4.004 ( 4.805 -0.000 2.579) 5.454 4.015 ( -5.229 0.000 -13.015) 14.026 4.138 ( -10.863 0.000 -2.673) 11.187 4.162 ( -3.592 0.000 -3.563) 5.060 4.484 ( -0.628 0.000 11.420) 11.437 4.548 ( -0.112 0.000 -4.756) 4.757 4.603 ( 13.428 -0.000 -12.145) 18.106 4.606 ( -6.060 0.000 4.657) 7.643 4.716 ( -5.592 0.000 4.914) 7.445 4.838 ( -0.487 0.000 -5.787) 5.807 4.979 ( -9.402 0.000 -2.043) 9.622 5.335 ( -1.792 0.000 3.988) 4.372 5.342 ( 11.307 -0.000 2.611) 11.605 5.555 ( 1.277 -0.000 -1.666) 2.099 5.623 ( -3.345 0.000 3.835) 5.089 5.691 ( 0.763 -0.000 -7.154) 7.194 5.748 ( 2.307 -0.000 -2.519) 3.416 5.897 ( 7.899 -0.000 1.169) 7.985 5.944 ( 15.238 -0.000 -2.138) 15.387 7.166 ( 9.388 -0.000 13.367) 16.335 7.375 ( 1.659 -0.000 -12.109) 12.222 7.650 ( -1.224 0.000 3.155) 3.384 7.670 ( -1.023 0.000 12.169) 12.211 7.782 ( 2.096 -0.000 4.268) 4.755 7.806 ( 1.585 -0.000 -0.721) 1.741 8.164 ( 0.343 -0.000 1.520) 1.558 8.305 ( 0.799 -0.000 -2.112) 2.258 8.769 ( -0.571 0.000 0.723) 0.921 8.780 ( -1.219 0.000 -8.609) 8.695 8.922 ( -5.851 0.000 2.178) 6.243 9.005 ( -2.182 0.000 -4.896) 5.360 9.307 ( 3.255 -0.000 1.884) 3.761 9.407 ( 9.580 -0.000 -2.623) 9.933 9.728 ( 4.730 -0.000 -3.867) 6.109 9.766 ( 9.213 -0.000 3.782) 9.959 10.226 ( -1.152 0.000 8.361) 8.440 10.478 ( 0.244 -0.000 -7.778) 7.782 10.808 ( -5.790 0.000 1.166) 5.906 10.810 ( -1.100 0.000 3.065) 3.256 11.319 ( -10.279 0.000 -3.114) 10.741 11.492 ( -8.311 0.000 2.668) 8.729 11.789 ( 6.135 -0.000 -1.877) 6.416 11.843 ( 4.715 -0.000 1.025) 4.825 12.702 ( 3.865 -0.000 -0.268) 3.875 12.870 ( -0.043 0.000 -4.277) 4.278 12.948 ( 2.741 -0.000 0.958) 2.904 13.128 ( 7.500 -0.000 -2.229) 7.824 13.541 ( -0.014 0.000 -3.909) 3.909 13.752 ( -4.504 0.000 1.361) 4.705 13.930 ( 2.373 -0.000 -4.797) 5.352 13.938 ( -2.154 0.000 14.351) 14.512 14.772 ( -7.322 0.000 -5.517) 9.168 14.782 ( 0.488 -0.000 0.068) 0.493 14.972 ( -4.595 0.000 -2.496) 5.230 14.974 ( -8.364 0.000 4.124) 9.326 15.743 ( -11.194 0.000 -1.092) 11.247 15.757 ( -13.315 0.000 6.421) 14.782 15.841 ( -10.548 0.000 4.547) 11.486 15.963 ( 7.182 -0.000 -5.008) 8.756 16.271 ( 3.648 -0.000 -0.259) 3.657 16.518 ( 2.695 -0.000 -5.325) 5.968 16.761 ( -0.717 0.000 3.227) 3.306 16.842 ( -0.291 0.000 -0.206) 0.356 16.863 ( 4.546 -0.000 -2.296) 5.093 17.061 ( 0.997 -0.000 1.610) 1.894 17.066 ( 1.584 -0.000 0.149) 1.591 17.206 ( 3.386 -0.000 -0.113) 3.388 19.999 ( -8.402 0.000 -3.741) 9.197 20.047 ( -11.118 0.000 5.544) 12.423 21.211 ( 10.101 -0.000 0.526) 10.115 21.364 ( 7.170 -0.000 -0.258) 7.174 22.622 ( 3.686 -0.000 3.426) 5.032 22.937 ( 6.375 -0.000 -5.980) 8.741 27.952 ( 5.842 -0.000 11.920) 13.275 27.962 ( 2.050 -0.000 -6.573) 6.885 29.569 ( -2.571 0.000 -5.471) 6.045 29.722 ( 2.085 -0.000 0.134) 2.089 29.795 ( -2.157 0.000 1.261) 2.499 29.876 ( -3.615 0.000 4.086) 5.456 31.009 ( -2.281 0.000 -2.516) 3.396 31.056 ( -0.075 0.000 0.026) 0.079 31.115 ( -4.271 0.000 3.028) 5.236 31.143 ( -0.029 0.000 -1.962) 1.962 31.709 ( 3.421 -0.000 3.051) 4.584 31.839 ( 7.702 -0.000 -4.231) 8.787 31.979 ( -2.646 0.000 2.399) 3.572 32.077 ( -1.122 0.000 -1.823) 2.141 32.350 ( -6.422 0.000 -1.778) 6.664 32.495 ( -10.188 0.000 -0.487) 10.200 32.625 ( -0.941 0.000 5.736) 5.813 33.148 ( 5.399 -0.000 -10.160) 11.505 34.327 ( 1.917 -0.000 0.521) 1.987 34.345 ( -0.140 0.000 -4.324) 4.326 34.679 ( 0.594 -0.000 15.912) 15.923 35.168 ( 8.275 -0.000 -5.641) 10.015 36.055 ( -9.961 0.000 0.132) 9.962 36.416 ( -14.936 0.000 6.626) 16.339 36.674 ( 7.891 -0.000 -4.019) 8.856 37.343 ( 10.137 -0.000 -3.780) 10.819 ======================= Grid point 144 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -14.183 -13.720 10.383) 22.298 1.629 ( -21.017 -5.408 32.484) 39.066 1.968 ( -2.508 -2.386 -3.910) 5.222 2.108 ( -7.305 -10.235 -7.099) 14.440 2.292 ( -25.593 3.263 -2.564) 25.927 2.770 ( -1.716 7.010 -0.542) 7.238 3.042 ( 3.615 -2.759 3.684) 5.853 3.061 ( -3.592 4.000 4.813) 7.215 3.161 ( -3.892 -2.228 6.945) 8.267 3.235 ( -4.907 5.592 -6.093) 9.616 3.327 ( -4.246 0.837 -2.414) 4.956 3.382 ( -0.734 3.232 2.380) 4.080 3.556 ( 5.537 0.022 -10.921) 12.245 3.703 ( 1.697 -3.008 1.773) 3.882 3.852 ( 2.179 -6.217 3.669) 7.540 3.939 ( -8.489 -5.534 -13.712) 17.050 4.081 ( 3.186 -4.108 1.430) 5.392 4.099 ( -4.643 -1.853 -1.090) 5.117 4.177 ( 0.358 -4.377 -2.052) 4.847 4.439 ( -2.559 4.934 -0.072) 5.559 4.496 ( -3.775 1.080 4.625) 6.066 4.580 ( -3.889 -1.703 4.137) 5.928 4.662 ( -4.343 1.984 3.125) 5.707 4.707 ( 9.266 -1.525 -9.072) 13.057 4.889 ( -4.673 1.190 -3.583) 6.008 4.895 ( 5.204 -5.094 -6.715) 9.906 5.205 ( -2.591 9.250 6.913) 11.835 5.456 ( -3.236 4.486 -3.567) 6.582 5.492 ( 8.116 -1.084 0.664) 8.214 5.564 ( -4.111 3.727 -2.176) 5.961 5.694 ( 3.989 2.141 -0.120) 4.529 5.862 ( 10.775 -3.704 -2.169) 11.598 5.996 ( 6.739 -6.286 -1.962) 9.422 6.171 ( 14.605 -6.289 -0.747) 15.919 7.288 ( 6.046 0.258 5.940) 8.480 7.353 ( 2.100 0.576 -5.350) 5.776 7.612 ( -0.108 0.476 5.787) 5.807 7.707 ( 3.243 5.918 -2.477) 7.188 7.758 ( -2.551 -3.562 9.084) 10.085 7.942 ( 1.540 -6.911 10.705) 12.835 8.195 ( 3.410 -1.573 2.301) 4.404 8.268 ( 1.872 4.517 -1.721) 5.184 8.720 ( -1.347 2.812 -7.469) 8.094 8.787 ( -1.356 -3.703 -1.238) 4.133 8.874 ( -4.121 1.281 2.613) 5.044 8.963 ( -2.786 0.767 -4.369) 5.238 9.321 ( 5.001 3.375 2.455) 6.513 9.460 ( 8.493 3.378 -2.845) 9.572 9.758 ( 5.180 0.921 -3.154) 6.135 9.878 ( 9.114 -1.426 3.827) 9.988 10.235 ( -1.764 -0.121 6.104) 6.355 10.440 ( -0.514 1.369 -6.590) 6.751 10.758 ( -3.988 0.182 1.322) 4.205 10.830 ( -1.930 -2.384 2.025) 3.675 11.216 ( -9.800 -0.287 -2.891) 10.222 11.428 ( -8.014 -0.889 2.615) 8.476 11.830 ( 4.855 0.957 -2.040) 5.352 11.884 ( 4.923 0.828 0.864) 5.066 12.725 ( 5.007 2.271 -2.753) 6.148 12.816 ( 0.304 3.609 -1.685) 3.995 13.006 ( 2.719 -2.397 0.074) 3.625 13.191 ( 6.733 0.143 -1.373) 6.873 13.534 ( 0.151 -0.487 -3.073) 3.115 13.700 ( -6.368 0.554 3.386) 7.233 13.927 ( 2.313 2.769 5.203) 6.332 13.965 ( -0.075 -0.396 1.672) 1.720 14.653 ( -12.285 1.383 -3.168) 12.762 14.750 ( -6.398 0.984 -0.084) 6.473 14.914 ( -4.495 1.208 4.849) 6.722 14.943 ( 0.137 -0.795 -3.672) 3.760 15.573 ( -14.394 3.867 3.735) 15.365 15.664 ( -12.287 -1.094 -0.025) 12.336 15.743 ( -11.398 0.159 4.544) 12.272 15.932 ( 3.457 8.245 -6.158) 10.857 16.335 ( 5.004 -1.566 -0.705) 5.290 16.550 ( 2.513 -2.256 -5.394) 6.364 16.760 ( 0.671 0.970 2.691) 2.939 16.848 ( -1.447 -1.581 0.887) 2.319 16.925 ( 3.371 -3.032 -2.150) 5.018 17.045 ( -0.456 1.393 -0.414) 1.523 17.099 ( 1.971 -1.275 0.039) 2.348 17.227 ( 3.763 2.733 2.531) 5.295 19.851 ( -10.790 5.581 2.171) 12.340 19.953 ( -8.336 0.546 -0.748) 8.388 21.293 ( 9.578 1.863 0.829) 9.792 21.425 ( 6.203 0.438 -0.850) 6.276 22.708 ( 6.000 -3.479 3.526) 7.781 23.013 ( 6.381 -3.451 -6.456) 9.711 27.942 ( 2.939 2.728 -2.620) 4.790 28.033 ( 5.656 2.671 10.109) 11.887 29.470 ( -4.864 5.140 -4.208) 8.234 29.654 ( -2.236 4.240 -0.253) 4.800 29.809 ( -2.902 -0.702 1.738) 3.455 29.884 ( -0.967 -1.945 1.710) 2.764 30.962 ( -3.419 1.515 0.019) 3.740 31.003 ( -1.753 1.630 -2.136) 3.208 31.155 ( 0.884 -2.648 -1.400) 3.123 31.267 ( 2.883 -13.428 2.750) 14.006 31.734 ( 1.387 1.973 2.544) 3.506 31.875 ( 4.012 1.682 -2.315) 4.928 31.968 ( 1.248 -1.119 0.337) 1.709 32.066 ( -0.531 -0.105 -1.794) 1.874 32.309 ( -4.634 -1.693 -1.021) 5.038 32.400 ( -9.541 -0.298 -0.377) 9.553 32.615 ( -3.818 0.716 4.675) 6.078 33.142 ( 1.965 0.404 -15.039) 15.172 34.329 ( -0.985 -0.935 -2.205) 2.590 34.401 ( 2.746 -5.270 -0.794) 5.995 34.744 ( 3.800 0.864 19.113) 19.506 35.252 ( 8.758 -2.327 -5.242) 10.468 35.942 ( -9.161 2.814 0.481) 9.595 36.274 ( -14.352 2.294 6.050) 15.743 36.596 ( 3.597 14.065 -4.467) 15.190 37.421 ( 10.718 2.011 -2.287) 11.142 ======================= Grid point 145 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -14.077 -17.619 13.549) 26.309 1.698 ( -16.606 -13.641 18.057) 28.070 1.908 ( -23.136 0.682 3.237) 23.371 2.019 ( -5.053 -6.329 0.173) 8.101 2.320 ( -4.566 -15.182 -4.875) 16.587 2.630 ( -3.655 4.078 -3.040) 6.264 2.930 ( -7.096 8.772 5.841) 12.705 2.996 ( -5.577 6.445 -4.905) 9.834 3.110 ( 2.269 0.665 0.485) 2.414 3.195 ( -2.071 -1.065 6.307) 6.723 3.249 ( -3.453 2.708 -4.425) 6.232 3.410 ( 4.817 -3.254 2.887) 6.491 3.627 ( 3.504 -4.452 -6.219) 8.413 3.766 ( -0.350 -1.510 -0.241) 1.568 3.897 ( -3.614 -2.879 -4.682) 6.578 4.006 ( -2.509 -7.888 -2.309) 8.593 4.068 ( -6.239 -2.245 -1.634) 6.829 4.197 ( 1.720 -5.593 2.618) 6.411 4.260 ( -0.037 -5.273 -2.150) 5.695 4.389 ( 2.131 -0.667 -2.816) 3.593 4.472 ( -2.967 0.278 4.388) 5.304 4.557 ( -8.869 0.560 3.423) 9.523 4.641 ( 0.703 -4.199 3.230) 5.344 4.781 ( 7.052 -0.237 -7.817) 10.530 4.832 ( 0.537 2.124 -3.176) 3.858 4.989 ( 6.029 0.847 -3.963) 7.265 5.120 ( -3.502 -3.289 4.189) 6.375 5.324 ( -5.969 7.013 -2.285) 9.489 5.445 ( -0.059 5.165 -1.039) 5.269 5.555 ( 9.487 2.319 -3.292) 10.306 5.727 ( 4.247 -0.202 1.848) 4.636 5.978 ( 10.792 1.352 -0.329) 10.881 6.140 ( 6.584 -2.339 -7.336) 10.131 6.374 ( 9.796 -3.616 -0.247) 10.445 7.268 ( 0.860 2.426 -6.347) 6.850 7.389 ( 2.123 0.008 7.038) 7.351 7.620 ( 0.415 1.180 -7.105) 7.214 7.685 ( 3.888 -0.075 3.951) 5.544 7.774 ( -2.907 0.665 5.572) 6.320 8.081 ( 2.453 -1.596 11.391) 11.761 8.212 ( 2.671 3.187 5.301) 6.738 8.309 ( 5.155 -5.159 4.080) 8.357 8.630 ( -0.952 4.382 -4.847) 6.603 8.806 ( -6.155 1.393 3.274) 7.109 8.854 ( 1.717 -2.746 -3.542) 4.800 8.898 ( -3.773 1.515 -2.691) 4.876 9.309 ( 4.779 4.651 2.302) 7.055 9.443 ( 7.557 6.312 -2.409) 10.137 9.785 ( 5.453 0.823 -1.991) 5.864 9.992 ( 7.265 -1.325 2.802) 7.898 10.210 ( -1.828 2.885 1.134) 3.599 10.411 ( -0.314 -0.320 -2.959) 2.993 10.738 ( -1.844 -1.176 -0.121) 2.190 10.855 ( -1.769 -1.751 2.368) 3.436 11.134 ( -8.395 -1.279 -2.673) 8.903 11.386 ( -7.500 -1.907 2.216) 8.050 11.838 ( 3.827 2.126 -1.572) 4.652 11.909 ( 4.133 1.814 0.543) 4.546 12.691 ( 3.293 4.179 -3.861) 6.573 12.794 ( 3.912 1.994 0.405) 4.410 13.061 ( 1.674 -1.594 0.059) 2.312 13.235 ( 5.021 0.948 -1.426) 5.305 13.544 ( -0.290 -1.348 -1.092) 1.759 13.649 ( -4.947 -0.208 3.532) 6.082 13.886 ( -0.471 5.839 8.715) 10.501 13.957 ( -1.159 0.310 -2.448) 2.727 14.499 ( -10.950 1.921 -0.934) 11.156 14.655 ( -7.435 1.127 -0.140) 7.521 14.868 ( -1.522 2.652 4.709) 5.615 14.979 ( 1.433 -3.376 -3.992) 5.421 15.411 ( -10.913 1.083 1.582) 11.080 15.564 ( -9.914 -0.139 -1.262) 9.995 15.665 ( -11.108 -2.301 2.869) 11.701 15.744 ( -7.334 8.877 -3.620) 12.071 16.391 ( 3.087 -0.741 0.357) 3.195 16.596 ( 1.959 -2.185 -3.705) 4.727 16.761 ( 1.848 0.884 1.238) 2.394 16.861 ( -2.632 -2.010 0.446) 3.341 16.996 ( 0.531 -3.287 -1.527) 3.663 17.016 ( -0.920 0.611 -1.510) 1.871 17.140 ( 3.328 -0.366 -0.409) 3.373 17.204 ( 0.821 3.015 3.971) 5.054 19.692 ( -7.623 2.467 2.856) 8.506 19.874 ( -5.409 0.293 -3.208) 6.296 21.328 ( 6.632 3.624 1.775) 7.764 21.449 ( 4.143 2.233 -2.115) 5.160 22.848 ( 6.570 -3.871 3.897) 8.564 23.112 ( 5.432 -3.407 -6.267) 8.966 27.910 ( 1.732 3.574 0.933) 4.080 28.006 ( 0.920 6.343 5.367) 8.360 29.350 ( -5.884 0.432 -1.332) 6.049 29.589 ( -1.272 1.190 -1.261) 2.151 29.769 ( -3.586 1.760 2.309) 4.614 29.899 ( -0.971 -0.423 -0.143) 1.068 30.924 ( -3.810 -0.830 2.578) 4.674 30.965 ( -0.449 0.882 -3.502) 3.639 31.228 ( 2.735 -4.407 -0.801) 5.248 31.515 ( 2.649 -6.229 2.579) 7.243 31.715 ( 2.695 -1.304 1.619) 3.404 31.883 ( 3.057 1.104 1.173) 3.455 31.998 ( 0.753 0.814 -5.157) 5.275 32.087 ( 5.185 -1.961 0.626) 5.578 32.301 ( -4.860 -2.870 -1.629) 5.874 32.343 ( -5.001 -1.844 0.414) 5.346 32.553 ( -6.701 1.601 2.010) 7.177 33.094 ( -1.288 0.265 -16.453) 16.505 34.343 ( -1.811 -2.744 0.296) 3.301 34.542 ( 3.731 -7.770 -0.944) 8.671 34.816 ( 4.398 1.852 18.608) 19.210 35.363 ( 6.465 -2.447 -3.118) 7.583 35.794 ( -8.781 5.179 1.643) 10.326 36.111 ( -11.464 4.776 7.478) 14.497 36.350 ( 4.549 14.022 -7.967) 16.757 37.420 ( 5.777 7.907 -1.068) 9.851 ======================= Grid point 153 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -18.770 0.000 14.458) 23.693 1.448 ( -26.868 0.000 38.031) 46.564 1.883 ( -13.533 0.000 -10.542) 17.154 1.959 ( -3.110 0.000 0.929) 3.246 2.014 ( -29.214 0.000 -0.102) 29.214 2.809 ( -8.184 0.000 -0.913) 8.235 3.011 ( 0.208 -0.000 5.574) 5.578 3.062 ( -9.649 0.000 0.014) 9.649 3.142 ( -0.710 0.000 7.650) 7.682 3.257 ( 0.782 -0.000 -3.016) 3.115 3.262 ( -6.187 0.000 -2.193) 6.564 3.423 ( -0.795 0.000 6.559) 6.607 3.591 ( 7.065 -0.000 -18.708) 19.998 3.688 ( 2.661 -0.000 -4.680) 5.383 3.755 ( -6.192 0.000 -11.637) 13.182 3.814 ( -0.495 0.000 4.747) 4.773 4.086 ( 1.740 -0.000 -1.089) 2.053 4.088 ( 0.344 -0.000 0.758) 0.832 4.128 ( 2.616 -0.000 -0.552) 2.674 4.408 ( -6.819 0.000 -5.493) 8.756 4.521 ( 0.309 -0.000 7.421) 7.427 4.545 ( -5.982 0.000 11.616) 13.066 4.683 ( 1.189 -0.000 -2.334) 2.620 4.718 ( 3.285 -0.000 -9.634) 10.179 4.814 ( -5.306 0.000 1.304) 5.464 4.915 ( 10.299 -0.000 -13.802) 17.221 5.304 ( -2.757 0.000 2.869) 3.979 5.511 ( -4.929 0.000 -6.338) 8.029 5.518 ( -3.909 0.000 -7.947) 8.856 5.568 ( 4.301 -0.000 8.997) 9.972 5.727 ( 8.436 -0.000 -2.415) 8.775 5.804 ( 6.186 -0.000 -2.160) 6.552 6.087 ( 9.705 -0.000 3.151) 10.203 6.255 ( 16.782 -0.000 -2.119) 16.916 7.326 ( 0.448 -0.000 -10.753) 10.763 7.403 ( 7.079 -0.000 10.597) 12.744 7.620 ( -4.151 0.000 3.039) 5.145 7.713 ( -0.305 0.000 3.757) 3.770 7.858 ( 3.826 -0.000 4.863) 6.187 7.906 ( 5.435 -0.000 21.807) 22.474 8.228 ( 5.183 -0.000 3.203) 6.093 8.323 ( 2.414 -0.000 -3.437) 4.200 8.708 ( -5.783 0.000 -0.936) 5.858 8.714 ( -0.492 0.000 -6.260) 6.280 8.864 ( -2.080 0.000 1.718) 2.698 8.935 ( -2.435 0.000 -2.071) 3.197 9.409 ( 5.575 -0.000 2.426) 6.080 9.558 ( 7.770 -0.000 -3.342) 8.458 9.818 ( 6.511 -0.000 -2.648) 7.029 9.960 ( 8.388 -0.000 2.683) 8.807 10.224 ( -3.069 0.000 6.079) 6.810 10.416 ( -2.209 0.000 -6.552) 6.914 10.738 ( -1.509 0.000 0.312) 1.540 10.795 ( -2.110 0.000 1.810) 2.780 11.112 ( -9.754 0.000 -1.945) 9.946 11.343 ( -9.155 0.000 2.268) 9.431 11.887 ( 5.712 -0.000 -1.606) 5.934 11.944 ( 5.677 -0.000 0.197) 5.680 12.794 ( 6.180 -0.000 -2.601) 6.706 12.840 ( -0.036 0.000 -4.899) 4.899 13.014 ( 2.971 -0.000 3.037) 4.249 13.246 ( 5.113 -0.000 0.701) 5.160 13.524 ( 0.733 -0.000 -3.923) 3.991 13.654 ( -6.248 0.000 3.521) 7.171 13.954 ( 2.414 -0.000 -8.115) 8.467 14.013 ( 1.775 -0.000 13.306) 13.424 14.541 ( -11.408 0.000 -3.077) 11.815 14.665 ( -12.407 0.000 1.771) 12.533 14.918 ( -0.576 0.000 4.458) 4.495 14.924 ( -0.948 0.000 -2.423) 2.602 15.463 ( -19.698 0.000 8.055) 21.281 15.529 ( -9.214 0.000 -4.362) 10.194 15.645 ( -12.589 0.000 4.522) 13.376 16.028 ( 3.280 -0.000 -15.526) 15.869 16.387 ( 8.037 -0.000 -1.941) 8.268 16.542 ( 2.991 -0.000 -3.992) 4.988 16.784 ( 0.809 -0.000 3.924) 4.007 16.819 ( -2.309 0.000 -0.334) 2.333 16.916 ( 1.589 -0.000 -1.946) 2.513 17.045 ( -2.414 0.000 -2.469) 3.453 17.100 ( 2.907 -0.000 0.439) 2.940 17.335 ( 8.500 -0.000 4.860) 9.792 19.828 ( -7.168 0.000 -3.258) 7.874 19.857 ( -11.584 0.000 5.357) 12.763 21.403 ( 9.041 -0.000 0.401) 9.050 21.477 ( 4.886 -0.000 -0.765) 4.945 22.749 ( 7.552 -0.000 2.798) 8.054 23.025 ( 6.637 -0.000 -6.828) 9.522 27.976 ( 3.586 -0.000 -7.414) 8.235 28.205 ( 12.391 -0.000 21.030) 24.409 29.465 ( -5.137 0.000 -8.551) 9.975 29.674 ( -8.144 0.000 4.758) 9.432 29.764 ( -1.248 0.000 -0.123) 1.254 29.875 ( 2.126 -0.000 0.142) 2.130 30.968 ( 0.330 -0.000 -4.853) 4.865 31.058 ( 0.058 -0.000 0.125) 0.138 31.063 ( -3.156 0.000 5.463) 6.309 31.135 ( 0.361 -0.000 -2.345) 2.373 31.797 ( 3.238 -0.000 4.193) 5.298 31.889 ( -3.248 0.000 -0.546) 3.294 31.977 ( 5.140 -0.000 -3.811) 6.399 32.044 ( -1.483 0.000 -1.922) 2.428 32.260 ( -2.725 0.000 -0.023) 2.725 32.306 ( -8.500 0.000 -0.098) 8.500 32.590 ( -6.122 0.000 5.457) 8.201 33.066 ( -5.939 0.000 -25.638) 26.316 34.312 ( -0.700 0.000 -2.674) 2.764 34.377 ( 2.924 -0.000 0.017) 2.924 34.885 ( 10.077 -0.000 26.461) 28.315 35.285 ( 6.279 -0.000 -5.050) 8.058 35.895 ( -6.170 0.000 0.315) 6.178 36.164 ( -14.319 0.000 1.773) 14.429 36.773 ( 3.818 -0.000 1.861) 4.248 37.524 ( 10.413 -0.000 -1.888) 10.582 ======================= Grid point 154 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -17.680 -16.848 14.111) 28.205 1.344 ( -31.443 -7.571 20.773) 38.439 1.638 ( -31.872 -5.764 21.674) 38.972 1.898 ( -1.976 -3.265 -5.379) 6.596 2.035 ( -3.999 -10.270 -4.707) 11.984 2.645 ( -11.978 4.760 -2.253) 13.084 2.894 ( -12.954 1.783 -1.145) 13.126 3.022 ( -7.315 6.043 -2.758) 9.881 3.144 ( -0.802 -3.732 6.611) 7.634 3.192 ( 1.867 2.023 6.924) 7.452 3.306 ( 3.781 0.696 -2.482) 4.576 3.414 ( 0.905 0.617 5.093) 5.209 3.602 ( 5.574 -0.688 -11.759) 13.032 3.720 ( -3.348 -1.477 -4.208) 5.576 3.751 ( 1.770 -6.301 -8.382) 10.635 3.860 ( -2.398 -5.747 -1.784) 6.478 4.024 ( -4.445 2.141 -1.893) 5.284 4.138 ( 0.593 -2.785 -2.656) 3.894 4.191 ( 3.591 -2.848 1.825) 4.933 4.376 ( -0.911 -0.990 -2.883) 3.181 4.509 ( -0.721 0.964 -1.976) 2.314 4.521 ( -2.589 2.651 10.544) 11.176 4.630 ( -0.428 2.318 -0.990) 2.557 4.788 ( 5.061 -4.282 -7.873) 10.292 4.801 ( -3.802 -4.068 0.115) 5.569 4.972 ( 3.919 -1.433 -10.332) 11.142 5.184 ( -3.019 9.268 7.219) 12.130 5.322 ( -5.288 2.763 -1.558) 6.167 5.452 ( -3.729 0.781 -4.455) 5.862 5.738 ( 12.501 1.630 0.411) 12.614 5.824 ( 8.668 2.572 1.154) 9.114 5.956 ( 4.895 -13.375 -11.737) 18.455 6.173 ( 9.300 0.326 2.626) 9.669 6.416 ( 10.998 -2.247 -2.115) 11.422 7.292 ( 0.929 1.418 -7.224) 7.420 7.460 ( 2.647 2.506 7.669) 8.491 7.580 ( -4.174 -0.583 -0.952) 4.321 7.712 ( -0.303 0.830 -1.777) 1.985 7.861 ( 5.220 4.231 10.978) 12.871 8.125 ( 9.120 -3.672 24.270) 26.186 8.297 ( 2.671 2.001 -1.683) 3.738 8.318 ( 5.991 -1.304 5.600) 8.304 8.675 ( 0.564 2.280 -5.112) 5.626 8.712 ( -4.959 -5.348 0.894) 7.348 8.840 ( -0.944 0.837 0.704) 1.444 8.894 ( -2.800 1.930 -0.546) 3.444 9.435 ( 5.050 3.651 2.070) 6.566 9.586 ( 6.245 3.407 -3.490) 7.924 9.857 ( 6.529 1.569 -1.656) 6.916 10.045 ( 6.142 -0.930 1.421) 6.373 10.218 ( -2.456 -0.318 4.000) 4.704 10.381 ( -1.505 -0.338 -4.830) 5.070 10.728 ( 0.979 0.381 -1.051) 1.486 10.805 ( -1.702 -2.643 1.745) 3.595 11.024 ( -9.345 -0.722 -1.394) 9.476 11.275 ( -9.682 -1.821 1.624) 9.985 11.921 ( 5.912 2.046 -0.672) 6.292 11.986 ( 5.533 1.612 -0.087) 5.763 12.781 ( 3.110 3.930 -4.183) 6.528 12.854 ( 4.128 0.383 -1.977) 4.593 13.060 ( 2.146 -0.922 3.601) 4.292 13.286 ( 3.446 0.608 0.837) 3.598 13.527 ( 0.998 -0.482 -2.690) 2.910 13.610 ( -4.827 -0.120 3.126) 5.752 13.940 ( -0.630 0.079 -5.942) 5.976 14.024 ( 2.126 6.004 10.690) 12.443 14.420 ( -10.268 1.506 -1.234) 10.451 14.568 ( -9.439 -1.826 1.358) 9.709 14.900 ( -0.971 0.648 0.133) 1.175 14.929 ( -2.794 -1.190 2.816) 4.141 15.312 ( -13.813 0.076 4.588) 14.556 15.450 ( -7.634 -1.079 -4.815) 9.090 15.537 ( -12.571 -0.282 3.184) 12.971 15.813 ( -13.487 13.888 -16.617) 25.513 16.446 ( 6.669 1.241 -1.303) 6.908 16.581 ( 3.357 -1.562 -2.761) 4.619 16.780 ( -1.966 0.521 0.508) 2.097 16.821 ( 0.315 -1.289 1.959) 2.367 16.938 ( -0.855 -2.545 -2.024) 3.362 17.003 ( -2.471 0.653 -1.993) 3.241 17.150 ( 3.623 -1.639 0.069) 3.977 17.334 ( 3.327 8.954 6.238) 11.409 19.680 ( -8.214 4.308 2.838) 9.700 19.806 ( -5.916 -1.182 -2.273) 6.447 21.446 ( 5.412 3.058 0.929) 6.285 21.511 ( 3.682 1.157 -1.870) 4.289 22.871 ( 8.911 -3.588 2.652) 9.966 23.095 ( 6.122 -2.878 -6.465) 9.357 27.977 ( 4.033 1.867 -5.980) 7.451 28.245 ( 5.467 16.352 19.966) 26.380 29.304 ( -9.683 3.759 -5.095) 11.569 29.588 ( -5.080 1.246 2.088) 5.631 29.747 ( -3.142 0.267 1.871) 3.667 29.901 ( 1.539 0.243 -1.640) 2.262 30.894 ( -4.813 2.207 3.177) 6.175 30.974 ( 1.006 1.561 -5.351) 5.665 31.173 ( 1.904 -4.331 -1.839) 5.076 31.394 ( 9.466 -18.206 2.370) 20.656 31.747 ( -0.776 3.801 1.931) 4.333 31.914 ( 2.203 -1.712 1.511) 3.173 32.008 ( 0.401 0.926 -4.633) 4.741 32.065 ( 3.648 -5.278 -2.979) 7.074 32.228 ( -3.959 0.194 0.211) 3.969 32.269 ( -3.262 -2.116 0.832) 3.976 32.511 ( -9.397 2.220 2.205) 9.904 32.933 ( -12.331 -5.625 -29.347) 32.326 34.305 ( -0.451 -0.664 -0.159) 0.818 34.455 ( 3.132 -5.726 -1.338) 6.663 35.026 ( 12.263 6.978 26.278) 29.827 35.363 ( 5.149 -3.526 0.129) 6.242 35.807 ( -6.041 4.826 0.366) 7.741 36.036 ( -12.780 -0.062 0.973) 12.817 36.654 ( 4.744 15.885 5.787) 17.559 37.589 ( 7.280 4.703 -1.041) 8.729 ======================= Grid point 163 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -20.236 0.000 21.924) 29.836 0.968 ( -42.246 0.000 9.466) 43.294 1.368 ( -28.933 0.000 49.207) 57.083 1.820 ( -1.026 0.000 -15.790) 15.823 1.916 ( -4.738 0.000 -2.374) 5.299 2.536 ( -13.701 0.000 0.107) 13.702 2.782 ( -12.202 0.000 -5.619) 13.434 3.024 ( -2.616 0.000 5.935) 6.486 3.125 ( -3.265 0.000 2.173) 3.922 3.252 ( 0.383 -0.000 6.252) 6.264 3.308 ( 3.738 -0.000 2.005) 4.242 3.457 ( -0.609 0.000 9.786) 9.805 3.615 ( 4.099 -0.000 -11.969) 12.652 3.651 ( 4.346 -0.000 -18.170) 18.683 3.754 ( -6.090 0.000 -0.014) 6.090 3.757 ( 5.940 -0.000 -5.718) 8.244 3.995 ( -4.767 0.000 -0.582) 4.802 4.140 ( 4.377 -0.000 -1.980) 4.804 4.204 ( -1.712 0.000 -7.355) 7.552 4.345 ( 2.206 -0.000 -2.665) 3.459 4.498 ( -1.717 0.000 3.629) 4.015 4.609 ( 3.132 -0.000 5.020) 5.917 4.657 ( -4.787 0.000 -3.244) 5.782 4.661 ( -1.783 0.000 -2.756) 3.283 4.758 ( 1.901 -0.000 -8.340) 8.554 4.964 ( 0.115 -0.000 -10.453) 10.453 5.269 ( -6.648 0.000 4.636) 8.105 5.318 ( -7.883 0.000 -0.238) 7.886 5.421 ( -1.080 0.000 -2.468) 2.694 5.631 ( 1.920 -0.000 -1.242) 2.286 5.940 ( 7.049 -0.000 1.062) 7.128 5.945 ( 11.971 -0.000 -1.302) 12.042 6.252 ( 4.296 -0.000 5.167) 6.720 6.494 ( 9.444 -0.000 -3.666) 10.131 7.296 ( 2.135 -0.000 -5.466) 5.868 7.524 ( -1.846 0.000 2.999) 3.521 7.532 ( -2.593 0.000 3.518) 4.370 7.718 ( 1.072 -0.000 -2.385) 2.615 7.986 ( 5.065 -0.000 5.954) 7.817 8.314 ( 5.798 -0.000 -0.812) 5.855 8.374 ( 6.467 -0.000 6.638) 9.267 8.389 ( 24.464 -0.000 31.618) 39.977 8.573 ( -7.396 0.000 1.436) 7.534 8.703 ( 1.201 -0.000 -1.718) 2.096 8.857 ( 0.899 -0.000 3.248) 3.370 8.893 ( -2.284 0.000 2.484) 3.374 9.516 ( 3.925 -0.000 1.738) 4.292 9.649 ( 4.163 -0.000 -4.205) 5.917 9.932 ( 6.099 -0.000 -0.983) 6.177 10.085 ( 3.861 -0.000 -0.420) 3.884 10.196 ( -2.780 0.000 4.572) 5.351 10.358 ( 0.003 -0.000 -4.699) 4.699 10.749 ( 3.186 -0.000 -2.148) 3.842 10.769 ( -0.466 0.000 1.654) 1.718 10.928 ( -9.557 0.000 -0.652) 9.579 11.167 ( -10.313 0.000 0.788) 10.343 11.993 ( 5.685 -0.000 0.125) 5.687 12.057 ( 5.938 -0.000 0.472) 5.957 12.831 ( 1.908 -0.000 -2.288) 2.979 12.888 ( 5.484 -0.000 -4.276) 6.954 13.088 ( 1.848 -0.000 6.109) 6.382 13.327 ( 3.205 -0.000 1.092) 3.386 13.531 ( 2.155 -0.000 -2.164) 3.054 13.575 ( -3.927 0.000 3.144) 5.030 13.912 ( -1.062 0.000 -6.538) 6.624 14.154 ( 6.330 -0.000 9.680) 11.566 14.373 ( -5.169 0.000 -1.699) 5.441 14.438 ( -11.266 0.000 2.008) 11.443 14.857 ( -5.413 0.000 -0.330) 5.423 14.897 ( -7.165 0.000 1.346) 7.291 15.213 ( -7.980 0.000 3.427) 8.685 15.380 ( -2.264 0.000 -6.106) 6.512 15.432 ( -11.990 0.000 3.807) 12.580 15.717 ( -27.352 0.000 -38.702) 47.392 16.517 ( 6.480 -0.000 -2.216) 6.849 16.602 ( 4.323 -0.000 -0.222) 4.328 16.750 ( -3.883 0.000 -1.186) 4.060 16.827 ( 0.164 -0.000 5.263) 5.265 16.900 ( -0.696 0.000 -3.118) 3.195 16.984 ( -2.067 0.000 -1.531) 2.572 17.170 ( 3.491 -0.000 1.303) 3.726 17.532 ( 8.135 -0.000 -3.653) 8.918 19.686 ( -8.699 0.000 2.748) 9.122 19.706 ( -3.789 0.000 -2.195) 4.379 21.523 ( 2.797 -0.000 -1.248) 3.063 21.541 ( 2.663 -0.000 -1.410) 3.013 22.911 ( 6.835 -0.000 2.819) 7.393 23.112 ( 6.277 -0.000 -4.481) 7.712 28.020 ( 5.529 -0.000 -6.133) 8.257 28.684 ( 21.091 -0.000 12.125) 24.328 29.218 ( -13.304 0.000 -9.015) 16.071 29.527 ( -9.649 0.000 5.642) 11.177 29.757 ( 0.231 -0.000 1.534) 1.551 29.915 ( 2.062 -0.000 -1.905) 2.807 30.967 ( 2.407 -0.000 -4.534) 5.133 31.053 ( -2.673 0.000 1.345) 2.993 31.059 ( 0.133 -0.000 -0.399) 0.420 31.133 ( 0.940 -0.000 -1.953) 2.168 31.813 ( -3.621 0.000 1.014) 3.760 31.856 ( -0.102 0.000 3.501) 3.503 31.997 ( -1.280 0.000 -1.753) 2.171 32.042 ( 3.881 -0.000 -6.427) 7.507 32.213 ( -1.808 0.000 1.375) 2.271 32.230 ( -1.009 0.000 0.542) 1.146 32.468 ( -8.887 0.000 3.200) 9.445 32.538 ( -30.761 0.000 -28.982) 42.264 34.303 ( 0.585 -0.000 0.128) 0.598 34.423 ( 1.933 -0.000 -1.212) 2.281 35.336 ( 2.065 -0.000 -1.682) 2.663 35.407 ( 26.395 -0.000 25.711) 36.848 35.842 ( -0.234 0.000 -0.251) 0.344 35.889 ( -13.785 0.000 -6.738) 15.344 36.959 ( 16.407 -0.000 27.828) 32.304 37.691 ( 7.054 -0.000 -0.267) 7.059 ======================= Grid point 164 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -11.992 0.000 -25.649) 28.314 1.154 ( 11.992 -0.000 25.649) 28.314 1.219 ( 3.736 -0.000 -27.570) 27.822 1.219 ( -3.736 0.000 27.570) 27.822 2.273 ( 8.720 -0.000 -33.525) 34.641 2.273 ( -8.720 0.000 33.525) 34.641 2.912 ( -8.932 0.000 -13.245) 15.975 2.912 ( 8.932 -0.000 13.245) 15.975 3.176 ( 5.251 -0.000 -13.282) 14.282 3.176 ( -5.251 0.000 13.282) 14.282 3.402 ( 4.106 -0.000 -4.082) 5.790 3.402 ( -4.106 0.000 4.082) 5.790 3.445 ( 8.952 -0.000 -12.210) 15.141 3.445 ( -8.952 0.000 12.210) 15.141 3.797 ( 4.455 -0.000 -1.803) 4.806 3.797 ( -4.455 0.000 1.803) 4.806 4.013 ( 7.261 -0.000 -12.931) 14.830 4.013 ( -7.261 0.000 12.931) 14.830 4.220 ( -5.543 0.000 -6.757) 8.740 4.220 ( 5.543 -0.000 6.757) 8.740 4.555 ( -3.729 0.000 0.343) 3.745 4.555 ( 3.729 -0.000 -0.343) 3.745 4.634 ( 5.985 -0.000 -5.662) 8.239 4.634 ( -5.985 0.000 5.662) 8.239 4.730 ( -2.368 0.000 -1.496) 2.801 4.730 ( 2.368 -0.000 1.496) 2.801 5.346 ( 11.204 -0.000 -10.904) 15.634 5.346 ( -11.204 0.000 10.904) 15.634 5.502 ( -1.474 0.000 -7.964) 8.099 5.502 ( 1.474 -0.000 7.964) 8.099 6.061 ( 1.019 -0.000 -1.369) 1.707 6.061 ( -1.019 0.000 1.369) 1.707 6.436 ( 2.298 -0.000 -7.426) 7.773 6.436 ( -2.298 0.000 7.426) 7.773 7.374 ( -8.550 0.000 -0.850) 8.592 7.374 ( 8.550 -0.000 0.850) 8.592 7.650 ( 0.634 -0.000 -3.824) 3.876 7.650 ( -0.634 0.000 3.824) 3.876 8.157 ( 1.815 -0.000 -6.947) 7.180 8.157 ( -1.815 0.000 6.947) 7.180 8.611 ( 5.291 -0.000 -6.850) 8.655 8.611 ( -5.291 0.000 6.850) 8.655 8.678 ( -4.461 0.000 -5.038) 6.729 8.678 ( 4.461 -0.000 5.038) 6.729 9.056 ( 0.681 -0.000 -9.551) 9.575 9.056 ( -0.681 0.000 9.551) 9.575 9.601 ( 1.268 -0.000 -3.132) 3.379 9.601 ( -1.268 0.000 3.132) 3.379 10.040 ( -1.821 0.000 -2.887) 3.413 10.040 ( 1.821 -0.000 2.887) 3.413 10.256 ( 3.327 -0.000 -5.343) 6.294 10.256 ( -3.327 0.000 5.343) 6.294 10.759 ( 4.878 -0.000 -2.484) 5.474 10.759 ( -4.878 0.000 2.484) 5.474 10.959 ( -6.419 0.000 -2.897) 7.042 10.959 ( 6.419 -0.000 2.897) 7.042 12.119 ( -1.302 0.000 -1.697) 2.139 12.119 ( 1.302 -0.000 1.697) 2.139 12.885 ( 0.753 -0.000 -0.898) 1.172 12.885 ( -0.753 0.000 0.898) 1.172 13.277 ( 1.855 -0.000 -6.758) 7.008 13.277 ( -1.855 0.000 6.758) 7.008 13.591 ( 4.490 -0.000 -2.149) 4.978 13.591 ( -4.490 0.000 2.149) 4.978 13.906 ( -21.669 0.000 1.657) 21.733 13.906 ( 21.669 -0.000 -1.657) 21.733 14.285 ( -0.633 0.000 -0.923) 1.119 14.285 ( 0.633 -0.000 0.923) 1.119 14.745 ( -3.727 0.000 -1.928) 4.196 14.745 ( 3.727 -0.000 1.928) 4.196 15.176 ( 3.700 -0.000 -2.833) 4.660 15.176 ( -3.700 0.000 2.833) 4.660 15.317 ( 10.427 -0.000 -4.700) 11.437 15.317 ( -10.427 0.000 4.700) 11.437 16.591 ( -3.055 0.000 -0.921) 3.191 16.591 ( 3.055 -0.000 0.921) 3.191 16.781 ( -3.657 0.000 -2.110) 4.222 16.781 ( 3.657 -0.000 2.110) 4.222 16.934 ( -0.800 0.000 -1.567) 1.759 16.934 ( 0.800 -0.000 1.567) 1.759 17.317 ( -4.241 0.000 -5.092) 6.627 17.317 ( 4.241 -0.000 5.092) 6.627 19.635 ( 2.250 -0.000 -2.145) 3.109 19.635 ( -2.250 0.000 2.145) 3.109 21.531 ( 1.193 -0.000 -1.714) 2.088 21.531 ( -1.193 0.000 1.714) 2.088 23.089 ( 0.211 -0.000 -4.799) 4.804 23.089 ( -0.211 0.000 4.799) 4.804 28.120 ( -19.753 0.000 0.751) 19.767 28.120 ( 19.753 -0.000 -0.751) 19.767 29.466 ( 12.208 -0.000 -4.200) 12.910 29.466 ( -12.208 0.000 4.200) 12.910 29.856 ( 0.054 -0.000 -3.744) 3.744 29.856 ( -0.054 0.000 3.744) 3.744 30.918 ( 8.467 -0.000 -5.634) 10.171 30.918 ( -8.467 0.000 5.634) 10.171 31.085 ( 0.830 -0.000 -2.422) 2.560 31.085 ( -0.830 0.000 2.422) 2.560 31.824 ( -0.872 0.000 -1.579) 1.804 31.824 ( 0.872 -0.000 1.579) 1.804 32.066 ( -0.445 0.000 -3.618) 3.646 32.066 ( 0.445 -0.000 3.618) 3.646 32.220 ( -1.938 0.000 0.418) 1.983 32.220 ( 1.938 -0.000 -0.418) 1.983 32.313 ( -9.016 0.000 -1.271) 9.105 32.313 ( 9.016 -0.000 1.271) 9.105 34.367 ( -0.953 0.000 -2.699) 2.862 34.367 ( 0.953 -0.000 2.699) 2.862 35.468 ( -9.706 0.000 -3.520) 10.324 35.468 ( 9.706 -0.000 3.520) 10.324 35.803 ( -2.606 0.000 -1.452) 2.983 35.803 ( 2.606 -0.000 1.452) 2.983 37.730 ( -6.382 0.000 -0.986) 6.458 37.730 ( 6.382 -0.000 0.986) 6.458 ======================= Grid point 166 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 9.245 -7.293 -20.922) 24.008 1.287 ( 9.532 -10.226 -17.255) 22.207 1.375 ( 3.266 -10.686 18.688) 21.774 1.481 ( 18.854 -8.662 19.768) 28.658 2.319 ( 4.518 -3.938 -3.829) 7.112 2.327 ( 2.466 -3.494 0.062) 4.277 2.836 ( -3.222 -2.926 -10.995) 11.825 3.001 ( 2.972 2.618 5.308) 6.623 3.143 ( -0.743 2.510 1.457) 2.995 3.172 ( 4.066 0.672 2.011) 4.585 3.367 ( -2.478 1.156 1.880) 3.318 3.416 ( -2.639 -2.158 1.502) 3.726 3.471 ( 1.173 -3.008 5.901) 6.727 3.540 ( 8.359 -2.583 -8.530) 12.219 3.803 ( -3.699 -4.994 -1.105) 6.312 3.866 ( 3.257 -4.632 -4.121) 7.003 3.976 ( -5.187 0.889 11.266) 12.435 4.044 ( 5.826 -0.038 -6.538) 8.757 4.179 ( -4.709 -3.351 -4.134) 7.106 4.291 ( 1.947 -2.205 2.088) 3.607 4.495 ( -3.741 2.039 1.710) 4.591 4.535 ( 0.954 3.129 0.692) 3.344 4.614 ( -4.185 -1.543 5.869) 7.372 4.683 ( 4.412 -1.662 -3.138) 5.663 4.771 ( -0.120 -3.403 2.232) 4.071 4.812 ( 6.120 -4.391 -4.425) 8.736 5.258 ( -9.107 1.652 10.368) 13.898 5.355 ( 4.122 4.378 -6.354) 8.748 5.484 ( -1.085 -0.669 -9.213) 9.301 5.613 ( 6.089 -5.468 5.977) 10.134 6.003 ( -7.149 2.643 0.818) 7.665 6.026 ( -3.322 1.550 -2.761) 4.589 6.382 ( -6.866 2.858 2.035) 7.711 6.444 ( 0.228 -0.769 -0.498) 0.944 7.291 ( -7.576 0.302 -0.257) 7.586 7.442 ( 7.667 1.940 0.683) 7.938 7.620 ( 0.156 2.208 -4.269) 4.809 7.630 ( -1.094 1.995 4.245) 4.816 8.103 ( -2.200 3.969 -2.911) 5.392 8.155 ( 0.707 1.203 4.225) 4.450 8.563 ( -8.705 0.193 3.594) 9.420 8.605 ( -5.763 -0.655 1.317) 5.948 8.667 ( 2.693 -1.341 -9.712) 10.167 8.748 ( 3.548 -2.205 2.386) 4.811 8.938 ( -2.817 8.300 -4.300) 9.763 8.967 ( -2.320 8.425 1.945) 8.952 9.538 ( -3.002 4.981 0.689) 5.856 9.558 ( -1.037 3.657 0.616) 3.851 10.002 ( -5.503 0.452 -2.835) 6.207 10.075 ( 0.807 -1.434 1.989) 2.581 10.233 ( -4.681 0.505 4.875) 6.777 10.291 ( 3.677 -1.839 -2.991) 5.084 10.742 ( -2.423 -0.795 0.800) 2.673 10.828 ( 4.310 -3.316 -1.909) 5.763 10.921 ( -0.143 -0.319 -2.990) 3.011 11.060 ( 9.293 -2.244 2.800) 9.961 12.055 ( -4.848 3.005 -1.451) 5.886 12.084 ( -3.121 3.233 0.582) 4.532 12.811 ( -6.034 3.838 1.089) 7.234 12.873 ( -0.457 0.691 -0.307) 0.883 13.259 ( -1.361 1.206 -1.716) 2.501 13.274 ( -0.776 0.809 0.135) 1.129 13.549 ( -3.606 0.205 0.895) 3.721 13.598 ( 1.461 0.999 -1.321) 2.209 13.817 ( -6.619 -2.993 5.698) 9.232 14.075 ( 14.649 5.652 0.647) 15.715 14.300 ( -0.708 -3.345 -0.530) 3.460 14.413 ( 7.315 -8.195 3.974) 11.682 14.782 ( 9.156 -2.965 -3.670) 10.300 14.833 ( 8.087 -3.315 0.102) 8.740 15.131 ( 3.006 4.661 -1.102) 5.655 15.205 ( 10.609 2.646 -0.438) 10.942 15.284 ( -5.160 -3.016 4.160) 7.282 15.434 ( 11.059 -2.422 -3.131) 11.746 16.551 ( -4.486 0.009 -0.904) 4.577 16.611 ( 0.883 0.104 0.113) 0.896 16.744 ( -2.487 -0.467 -0.593) 2.599 16.810 ( 2.198 0.397 3.347) 4.024 16.925 ( -0.795 -0.031 -1.949) 2.106 16.962 ( 2.153 -1.230 -0.420) 2.515 17.243 ( -5.634 1.390 -0.630) 5.837 17.325 ( 0.848 3.503 4.346) 5.646 19.632 ( 0.625 0.090 1.136) 1.299 19.663 ( 4.767 0.026 -1.288) 4.938 21.505 ( -1.920 2.082 1.821) 3.367 21.519 ( 0.140 1.794 -1.536) 2.366 23.069 ( -4.001 -1.347 -2.153) 4.739 23.086 ( -4.041 -1.008 2.392) 4.803 27.948 ( -11.708 2.421 5.975) 13.366 28.225 ( 16.568 10.148 1.777) 19.510 29.369 ( -8.141 -1.202 -1.861) 8.437 29.536 ( 8.191 2.333 -2.499) 8.875 29.808 ( 0.028 2.870 -4.649) 5.464 29.833 ( -0.175 2.450 4.227) 4.889 30.858 ( -3.684 0.054 5.292) 6.448 30.918 ( 5.234 2.132 -4.704) 7.353 31.205 ( -4.450 -11.881 -1.876) 12.825 31.320 ( 3.631 -17.304 7.008) 19.019 31.773 ( 0.012 4.333 -3.470) 5.551 31.826 ( 2.692 2.435 5.050) 6.220 32.083 ( -2.094 -4.361 -2.096) 5.273 32.093 ( -7.428 -4.174 -0.431) 8.531 32.197 ( 2.567 -0.186 0.944) 2.741 32.224 ( -0.100 -0.103 -0.037) 0.149 32.319 ( 2.127 -3.622 -2.087) 4.690 32.469 ( 14.794 -4.119 -3.333) 15.714 34.373 ( -1.276 -3.030 -3.725) 4.969 34.407 ( -0.375 -3.327 4.144) 5.327 35.343 ( -8.656 4.255 -0.293) 9.650 35.546 ( 10.997 4.058 4.055) 12.404 35.741 ( -6.693 1.012 -2.514) 7.221 35.845 ( 3.004 -2.359 1.402) 4.069 37.365 ( -18.363 25.107 -8.861) 32.343 37.621 ( 4.230 14.999 1.192) 15.630 ======================= Grid point 167 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 20.052 -10.895 -11.231) 25.435 1.597 ( 14.785 -15.700 -13.373) 25.375 1.689 ( 6.592 -15.073 11.998) 20.362 1.833 ( 9.411 -10.301 16.047) 21.265 2.349 ( -3.737 0.653 4.545) 5.921 2.479 ( 8.091 -7.751 -8.891) 14.303 2.857 ( -5.257 -1.766 0.587) 5.576 2.967 ( 7.280 0.129 -8.006) 10.822 3.102 ( -1.431 1.726 -1.372) 2.629 3.210 ( 0.378 -0.525 1.809) 1.921 3.338 ( 2.576 1.833 -3.090) 4.421 3.457 ( -3.656 -4.946 4.148) 7.419 3.553 ( 4.271 -0.828 4.042) 5.938 3.616 ( 7.292 -0.916 -5.656) 9.273 3.878 ( -2.046 -8.539 -0.796) 8.817 3.938 ( 0.573 -1.132 -4.505) 4.681 3.994 ( 0.862 -3.572 4.803) 6.048 4.111 ( 4.680 -4.030 2.744) 6.758 4.210 ( -0.640 -3.075 1.083) 3.322 4.336 ( -0.475 0.513 2.820) 2.905 4.443 ( -1.323 -0.394 -0.922) 1.660 4.505 ( -1.907 -1.594 0.508) 2.537 4.665 ( 0.152 -4.773 3.894) 6.162 4.745 ( 3.037 -0.684 -0.245) 3.123 4.788 ( -3.051 -1.065 2.077) 3.841 4.960 ( 4.470 -7.590 -3.155) 9.356 5.161 ( -3.396 6.151 1.760) 7.244 5.288 ( 1.681 4.897 2.598) 5.793 5.430 ( -2.269 1.961 -10.403) 10.827 5.741 ( 0.332 -0.390 3.957) 3.990 5.883 ( -7.172 0.568 2.841) 7.735 5.945 ( -5.356 1.911 -4.434) 7.211 6.233 ( -10.225 5.579 3.118) 12.058 6.453 ( 0.134 -0.049 -0.365) 0.392 7.228 ( -5.414 -0.163 -0.090) 5.417 7.446 ( 3.175 3.672 3.213) 5.821 7.574 ( -0.250 1.309 -4.678) 4.864 7.623 ( 1.792 0.250 3.387) 3.840 7.987 ( -3.676 5.407 -3.350) 7.346 8.152 ( -0.435 1.403 4.364) 4.604 8.467 ( -9.425 0.551 -2.141) 9.680 8.548 ( -7.228 0.612 4.348) 8.457 8.655 ( 0.277 2.167 -9.118) 9.376 8.779 ( 0.512 7.779 1.989) 8.045 8.819 ( 3.067 -1.624 0.903) 3.585 8.857 ( 4.674 4.097 -3.855) 7.314 9.409 ( -3.786 6.536 0.061) 7.554 9.481 ( -2.067 4.396 1.862) 5.202 9.911 ( -7.232 1.638 -2.514) 7.830 10.094 ( 0.227 0.589 0.378) 0.736 10.176 ( -6.351 1.451 4.296) 7.803 10.358 ( 3.946 -2.167 -1.408) 4.718 10.734 ( -1.137 -0.742 -0.564) 1.470 10.896 ( -3.044 -3.644 -0.540) 4.778 10.969 ( 9.751 -1.040 -2.773) 10.191 11.213 ( 9.862 -3.898 2.303) 10.851 11.941 ( -5.355 4.177 -1.164) 6.890 11.982 ( -4.546 3.835 0.696) 5.988 12.695 ( -5.083 3.843 1.651) 6.582 12.857 ( -0.350 0.968 -0.900) 1.367 13.194 ( -2.223 3.110 -5.100) 6.374 13.232 ( -1.724 2.956 3.860) 5.159 13.531 ( -1.567 -1.121 0.500) 1.991 13.620 ( 1.986 -1.591 0.524) 2.598 13.845 ( -1.607 -2.214 4.111) 4.938 14.043 ( 2.583 5.058 -2.830) 6.346 14.371 ( 2.076 -3.645 0.027) 4.194 14.555 ( 0.693 -3.522 1.913) 4.067 14.866 ( -0.594 -1.651 1.049) 2.044 15.031 ( 5.067 -2.628 -5.306) 7.793 15.134 ( 19.572 0.048 3.561) 19.893 15.317 ( 12.609 -1.272 1.142) 12.724 15.332 ( 6.352 -1.803 1.848) 6.857 15.569 ( 10.229 -2.328 -2.238) 10.727 16.515 ( -4.009 -1.682 -2.609) 5.070 16.604 ( -2.219 -0.353 -0.785) 2.380 16.756 ( 0.286 -1.500 1.656) 2.253 16.839 ( 1.800 -0.494 3.990) 4.405 16.912 ( 0.262 0.177 -2.972) 2.989 16.999 ( 1.917 -0.650 -0.283) 2.044 17.179 ( -4.474 0.650 1.831) 4.877 17.266 ( -1.356 3.576 1.344) 4.054 19.650 ( 2.275 -0.422 0.077) 2.315 19.715 ( 5.281 -0.675 -0.588) 5.356 21.437 ( -2.844 4.012 2.172) 5.376 21.466 ( -1.502 3.076 -1.941) 3.935 23.052 ( -5.290 -1.816 2.776) 6.244 23.067 ( -4.089 -1.497 -2.066) 4.820 27.861 ( -5.091 1.007 5.903) 7.859 28.130 ( 7.119 12.445 -2.803) 14.608 29.367 ( -0.824 -4.178 -5.132) 6.668 29.542 ( 1.996 1.812 1.101) 2.912 29.750 ( 0.234 3.251 0.118) 3.261 29.836 ( 3.262 0.048 0.456) 3.294 30.866 ( -1.489 -1.972 3.639) 4.399 30.944 ( 3.965 -0.813 -3.403) 5.288 31.325 ( -5.821 -9.413 -3.744) 11.684 31.577 ( -1.084 -7.324 5.494) 9.219 31.695 ( -0.227 2.644 1.452) 3.025 31.820 ( 2.860 3.404 5.895) 7.384 32.048 ( -8.681 -1.849 -3.303) 9.470 32.153 ( -3.429 -5.981 2.281) 7.262 32.221 ( 0.939 -0.225 -0.881) 1.307 32.280 ( 4.245 -2.822 1.098) 5.214 32.424 ( 7.538 -3.182 -1.880) 8.395 32.674 ( 12.661 -5.109 -2.067) 13.808 34.418 ( -0.787 -4.952 -5.502) 7.444 34.494 ( -1.787 -6.640 6.532) 9.484 35.164 ( -8.098 7.362 1.074) 10.997 35.549 ( 5.869 5.666 -1.953) 8.388 35.675 ( -0.276 1.658 -1.293) 2.121 35.944 ( 6.101 -3.340 1.880) 7.205 36.699 ( -20.373 25.951 -9.144) 34.236 37.414 ( 5.730 14.783 0.718) 15.871 ======================= Grid point 168 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 20.640 -10.543 -5.186) 23.750 1.933 ( 12.965 -11.221 -6.916) 18.488 2.003 ( 8.897 -9.307 4.940) 13.791 2.077 ( -3.914 -11.255 11.689) 16.692 2.279 ( -5.332 0.839 -5.615) 7.788 2.555 ( -2.308 5.389 9.958) 11.556 2.876 ( -3.305 -9.278 0.324) 9.854 3.037 ( -0.335 -0.093 -2.618) 2.641 3.101 ( 9.207 -3.543 -13.477) 16.702 3.214 ( -0.969 -0.018 0.028) 0.970 3.314 ( 0.074 0.151 -6.933) 6.935 3.494 ( -2.492 -1.542 3.059) 4.236 3.598 ( 3.023 -0.330 0.950) 3.186 3.722 ( 8.278 -3.157 -0.371) 8.867 3.899 ( -1.872 1.971 -6.241) 6.807 4.028 ( 3.519 -3.047 7.935) 9.199 4.094 ( 2.978 -1.721 2.965) 4.541 4.236 ( -1.928 -1.971 4.174) 5.002 4.255 ( 5.848 -5.000 4.001) 8.672 4.313 ( 1.214 -4.509 0.824) 4.742 4.524 ( 2.702 -6.121 -2.176) 7.036 4.575 ( 1.829 -5.095 0.902) 5.488 4.692 ( -2.159 5.021 0.473) 5.486 4.761 ( 4.120 -1.710 -1.457) 4.692 4.821 ( -5.486 -5.330 1.824) 7.863 5.006 ( -2.995 3.216 -4.421) 6.234 5.069 ( 0.201 4.003 4.320) 5.893 5.250 ( 2.014 2.121 2.073) 3.585 5.361 ( -1.548 -0.598 -4.814) 5.092 5.618 ( -13.075 3.630 -3.287) 13.962 5.842 ( -3.864 2.834 -5.220) 7.086 5.892 ( 1.350 1.323 7.074) 7.322 6.071 ( -6.861 3.777 2.292) 8.160 6.445 ( -0.197 0.886 -0.251) 0.942 7.195 ( -3.031 -0.834 -0.510) 3.184 7.432 ( 1.109 1.269 4.334) 4.650 7.553 ( -1.277 -0.929 -2.902) 3.304 7.657 ( 2.383 -0.466 1.997) 3.143 7.843 ( -3.854 6.220 -2.466) 7.722 8.094 ( -3.496 4.439 1.123) 5.761 8.406 ( -3.349 -2.193 -3.485) 5.307 8.495 ( -4.190 0.379 2.902) 5.111 8.577 ( -0.294 3.509 -4.905) 6.038 8.695 ( 1.587 5.087 3.015) 6.123 8.853 ( 5.172 0.768 -1.549) 5.454 8.891 ( 4.256 -1.603 -0.931) 4.642 9.262 ( -4.093 6.406 0.654) 7.630 9.384 ( -3.443 4.434 0.055) 5.614 9.816 ( -6.142 1.171 -0.967) 6.327 10.056 ( -0.489 3.421 0.102) 3.457 10.106 ( -5.699 0.809 1.965) 6.082 10.410 ( 2.397 -0.465 -0.540) 2.500 10.759 ( 1.052 -2.575 -0.452) 2.818 10.907 ( -1.453 -0.597 -0.208) 1.585 11.078 ( 7.036 -2.359 -1.491) 7.569 11.364 ( 7.582 -3.164 1.099) 8.289 11.829 ( -3.964 2.986 -0.914) 5.046 11.899 ( -2.608 2.142 1.016) 3.525 12.604 ( -3.402 2.704 1.489) 4.593 12.820 ( -1.996 1.701 -1.337) 2.944 13.120 ( -1.072 1.972 -2.856) 3.633 13.176 ( -1.034 3.082 2.795) 4.287 13.557 ( 0.721 -1.942 0.509) 2.133 13.669 ( 1.457 -1.614 1.186) 2.476 13.860 ( -0.191 0.479 0.566) 0.766 13.988 ( -0.617 1.247 -1.988) 2.427 14.443 ( 1.779 -2.752 -0.088) 3.278 14.591 ( -0.724 -0.675 1.436) 1.744 14.874 ( -2.341 -1.023 3.258) 4.140 15.005 ( 0.798 2.283 -5.614) 6.112 15.358 ( 9.196 -3.650 -0.807) 9.926 15.444 ( 9.907 -2.498 4.755) 11.269 15.477 ( 13.066 -0.518 -0.278) 13.079 15.691 ( 7.933 -2.882 -1.555) 8.582 16.523 ( -0.950 -3.278 -5.869) 6.789 16.585 ( -3.758 -0.927 2.077) 4.393 16.775 ( -0.265 0.558 2.050) 2.141 16.884 ( 2.033 -1.801 -0.026) 2.716 16.920 ( 2.093 -0.514 0.450) 2.201 17.013 ( 1.053 0.601 0.710) 1.405 17.148 ( -2.093 0.023 1.192) 2.409 17.203 ( -2.590 1.959 0.492) 3.284 19.686 ( 2.591 -0.966 -0.163) 2.770 19.775 ( 4.129 -1.126 -0.199) 4.285 21.340 ( -3.240 4.485 1.780) 5.813 21.390 ( -2.063 2.966 -1.694) 3.991 23.045 ( -4.732 -1.298 6.717) 8.318 23.052 ( -1.693 -1.458 -6.046) 6.446 27.837 ( -2.067 -0.171 3.970) 4.479 27.989 ( 2.360 8.039 -3.736) 9.174 29.421 ( 1.079 -2.753 -5.484) 6.231 29.539 ( -0.474 -0.661 2.151) 2.300 29.716 ( 0.904 1.879 2.437) 3.207 29.872 ( 3.807 0.070 -0.195) 3.813 30.901 ( -0.583 -2.125 2.198) 3.112 30.983 ( 2.613 -0.894 -2.438) 3.684 31.395 ( -5.380 -6.976 -3.694) 9.553 31.562 ( 0.480 4.190 -2.229) 4.770 31.737 ( -2.819 -4.057 7.322) 8.833 31.806 ( 3.182 3.215 4.279) 6.226 31.988 ( -6.642 -0.786 -2.914) 7.295 32.167 ( -4.736 -0.803 1.873) 5.156 32.285 ( 2.761 -3.822 0.583) 4.751 32.354 ( 2.435 -2.085 -0.265) 3.217 32.521 ( 6.388 -0.901 -2.265) 6.837 32.840 ( 7.622 -3.013 1.422) 8.319 34.488 ( 0.227 -5.728 -5.346) 7.838 34.622 ( -2.945 -8.386 6.526) 11.027 34.988 ( -4.306 5.981 1.750) 7.575 35.472 ( 2.414 6.881 -7.309) 10.325 35.656 ( 5.050 3.903 0.205) 6.386 36.055 ( 9.060 0.526 -1.310) 9.169 36.155 ( -20.033 12.476 -0.055) 23.601 37.260 ( 4.494 9.692 0.155) 10.685 ======================= Grid point 169 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 12.380 -5.602 -4.807) 14.414 2.096 ( 5.339 1.246 3.819) 6.682 2.185 ( -0.444 -3.214 6.786) 7.522 2.208 ( 0.034 -6.277 2.092) 6.617 2.251 ( -3.314 -6.283 -11.458) 13.481 2.414 ( -4.198 7.162 6.350) 10.452 2.872 ( -4.238 3.336 1.103) 5.505 3.123 ( 6.018 -2.240 4.901) 8.078 3.199 ( -3.481 -1.069 -3.276) 4.898 3.252 ( 2.243 -12.057 -14.232) 18.787 3.308 ( 1.632 0.310 -0.285) 1.685 3.496 ( -0.503 2.210 5.243) 5.712 3.620 ( 1.170 0.460 0.078) 1.260 3.813 ( 1.719 0.648 2.216) 2.879 3.830 ( 0.712 -1.669 -12.056) 12.192 3.940 ( -5.561 7.683 13.292) 16.329 4.231 ( 7.279 -3.539 -0.062) 8.094 4.271 ( 0.908 -1.410 -1.184) 2.053 4.423 ( 3.064 -3.723 1.887) 5.178 4.466 ( 5.234 -6.478 -0.269) 8.333 4.577 ( 1.423 1.142 -2.128) 2.803 4.636 ( -1.425 -0.520 2.292) 2.749 4.682 ( 2.145 1.003 3.252) 4.023 4.714 ( -2.774 -4.055 -0.961) 5.006 4.875 ( -5.581 3.258 -0.273) 6.468 4.954 ( 2.771 1.585 -1.908) 3.719 4.995 ( 3.135 -3.139 0.476) 4.462 5.179 ( -9.524 5.803 0.608) 11.170 5.383 ( 2.573 -0.328 0.520) 2.646 5.467 ( -6.412 -0.362 -2.441) 6.870 5.794 ( 1.066 -0.177 -2.231) 2.479 5.870 ( -0.647 2.783 3.006) 4.147 5.999 ( -1.963 0.766 0.299) 2.129 6.425 ( -0.394 0.742 -0.092) 0.845 7.190 ( -0.844 -0.638 -0.312) 1.103 7.450 ( 1.212 -0.523 1.841) 2.266 7.553 ( -1.975 -1.023 -0.904) 2.401 7.684 ( 0.569 -0.494 0.683) 1.017 7.725 ( -1.140 3.525 -0.512) 3.740 7.992 ( -1.947 3.098 -0.486) 3.691 8.427 ( -0.411 -2.110 -2.037) 2.961 8.470 ( -1.002 0.244 0.189) 1.048 8.524 ( -0.033 1.676 -0.230) 1.692 8.654 ( 0.406 1.801 1.649) 2.475 8.893 ( 3.721 -0.536 -1.095) 3.916 8.942 ( 0.986 -0.652 0.314) 1.223 9.153 ( -1.010 2.965 0.459) 3.166 9.286 ( -3.104 2.498 -0.596) 4.029 9.760 ( -2.519 0.366 -0.083) 2.547 10.004 ( -0.339 1.742 -0.020) 1.775 10.058 ( -2.340 0.495 0.449) 2.434 10.421 ( 0.665 0.261 -0.167) 0.734 10.825 ( 1.871 -3.202 -0.007) 3.709 10.885 ( -1.341 1.680 -0.127) 2.153 11.152 ( 2.597 -1.042 -0.401) 2.827 11.450 ( 2.695 -0.955 0.159) 2.864 11.771 ( -1.292 0.839 -0.303) 1.570 11.868 ( -0.554 0.402 0.480) 0.836 12.554 ( -1.224 0.988 0.604) 1.685 12.773 ( -1.408 0.938 -0.652) 1.813 13.091 ( -0.154 0.511 -0.762) 0.931 13.137 ( -0.332 1.295 0.985) 1.661 13.594 ( 0.652 -1.039 0.270) 1.256 13.698 ( 0.493 -0.374 0.781) 0.996 13.843 ( 0.038 0.729 -1.026) 1.259 13.976 ( -0.411 -0.265 -0.191) 0.525 14.491 ( 0.903 -1.297 -0.267) 1.603 14.584 ( -0.855 0.417 0.921) 1.324 14.880 ( -0.938 -0.532 1.648) 1.969 14.970 ( 0.494 1.027 -2.318) 2.583 15.453 ( 2.000 -2.223 -0.584) 3.047 15.540 ( 4.161 0.305 1.353) 4.386 15.566 ( 4.355 -0.158 -0.004) 4.357 15.788 ( 3.561 -1.602 -0.524) 3.940 16.539 ( -0.079 -0.605 -3.986) 4.032 16.601 ( -1.283 -2.551 2.542) 3.823 16.751 ( -0.457 1.627 0.489) 1.760 16.917 ( 0.726 -0.685 -1.128) 1.506 16.965 ( 1.856 -1.374 1.998) 3.054 17.008 ( 0.316 0.863 -0.158) 0.933 17.138 ( 0.004 0.479 1.100) 1.200 17.160 ( -2.227 0.271 -0.453) 2.289 19.720 ( 1.226 -0.571 -0.086) 1.355 19.818 ( 1.582 -0.563 -0.015) 1.680 21.260 ( -1.569 2.058 0.614) 2.660 21.334 ( -0.949 1.260 -0.606) 1.690 23.042 ( -1.928 -0.454 3.335) 3.879 23.048 ( -0.271 -0.620 -3.078) 3.151 27.845 ( -0.768 -1.200 2.161) 2.589 27.898 ( 0.732 3.669 -2.270) 4.377 29.433 ( -0.046 -0.174 -2.028) 2.036 29.567 ( 0.082 -1.391 0.618) 1.525 29.712 ( 0.564 0.454 1.267) 1.459 29.896 ( 1.647 0.260 -0.013) 1.667 30.929 ( -0.176 -0.908 0.715) 1.169 31.004 ( 0.908 -0.242 -0.964) 1.346 31.443 ( -3.672 -5.546 -3.489) 7.511 31.496 ( 1.682 4.766 1.574) 5.293 31.777 ( -1.591 -1.613 2.409) 3.307 31.804 ( 2.410 1.387 1.724) 3.272 31.941 ( -3.064 -0.156 -1.321) 3.341 32.141 ( -1.893 0.054 0.539) 1.969 32.357 ( 1.041 -1.907 0.737) 2.295 32.391 ( 0.897 -0.564 -0.470) 1.159 32.563 ( 2.301 0.008 -1.181) 2.587 32.922 ( 2.419 -0.809 1.060) 2.762 34.577 ( 1.779 -5.021 -3.370) 6.304 34.678 ( -4.097 0.503 2.559) 4.856 34.962 ( 0.375 -3.822 4.659) 6.037 35.320 ( 0.733 9.008 -6.774) 11.294 35.637 ( 2.623 2.450 0.104) 3.591 35.883 ( -5.961 3.275 -0.099) 6.803 36.136 ( 1.458 -1.313 1.102) 2.251 37.181 ( 1.604 3.398 0.011) 3.757 ======================= Grid point 175 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 24.884 -0.000 -9.910) 26.785 1.220 ( 13.306 -0.000 -25.458) 28.726 1.392 ( 6.829 -0.000 19.455) 20.619 1.700 ( 20.947 -0.000 17.322) 27.182 2.327 ( 17.583 -0.000 -35.783) 39.870 2.382 ( 4.464 -0.000 26.730) 27.100 2.786 ( 4.829 -0.000 -8.311) 9.612 3.061 ( 0.219 -0.000 0.065) 0.228 3.133 ( -7.653 0.000 12.100) 14.317 3.223 ( 3.742 -0.000 -4.305) 5.704 3.348 ( -6.284 0.000 9.436) 11.337 3.374 ( 1.235 -0.000 -2.035) 2.381 3.495 ( 5.659 -0.000 -3.023) 6.416 3.591 ( 9.252 -0.000 -5.444) 10.735 3.718 ( -3.995 0.000 0.820) 4.078 3.835 ( 2.131 -0.000 -6.195) 6.552 3.968 ( -5.501 0.000 14.277) 15.300 4.038 ( 1.003 -0.000 -6.083) 6.166 4.158 ( 6.539 -0.000 -5.292) 8.412 4.282 ( -1.691 0.000 3.283) 3.692 4.476 ( -3.876 0.000 0.479) 3.905 4.544 ( -2.180 0.000 3.271) 3.931 4.615 ( -3.141 0.000 9.796) 10.287 4.684 ( 3.505 -0.000 -5.728) 6.715 4.763 ( 5.247 -0.000 -3.875) 6.523 4.833 ( 5.311 -0.000 -2.219) 5.756 5.217 ( -6.854 0.000 14.502) 16.040 5.370 ( -2.229 0.000 -4.616) 5.126 5.528 ( 8.252 -0.000 -13.267) 15.624 5.589 ( 3.030 -0.000 4.789) 5.667 5.952 ( -9.504 0.000 -0.984) 9.555 5.972 ( -8.420 0.000 -1.754) 8.601 6.369 ( -5.661 0.000 -5.823) 8.121 6.373 ( -9.163 0.000 7.928) 12.117 7.221 ( -7.254 0.000 1.403) 7.389 7.535 ( 6.929 -0.000 0.730) 6.968 7.633 ( 1.130 -0.000 -4.567) 4.705 7.650 ( -0.969 0.000 3.670) 3.796 8.119 ( -2.726 0.000 -6.885) 7.404 8.163 ( -2.359 0.000 8.876) 9.185 8.502 ( -9.982 0.000 -2.769) 10.359 8.503 ( -9.938 0.000 6.448) 11.846 8.668 ( 4.314 -0.000 -7.931) 9.028 8.741 ( -0.805 0.000 -0.570) 0.986 8.956 ( -4.382 0.000 -2.757) 5.177 8.992 ( -5.186 0.000 -2.558) 5.782 9.552 ( -5.327 0.000 4.291) 6.840 9.559 ( -3.424 0.000 -2.469) 4.221 9.943 ( -6.639 0.000 -2.095) 6.962 10.061 ( -0.726 0.000 1.417) 1.592 10.226 ( -3.121 0.000 7.474) 8.100 10.290 ( 3.666 -0.000 -4.623) 5.900 10.735 ( 1.102 -0.000 -0.713) 1.313 10.800 ( -0.240 0.000 -1.324) 1.345 10.965 ( 8.511 -0.000 -3.192) 9.090 11.140 ( 9.981 -0.000 3.100) 10.452 12.016 ( -6.978 0.000 -1.840) 7.217 12.064 ( -6.336 0.000 0.030) 6.336 12.814 ( -5.187 0.000 2.485) 5.752 12.825 ( -3.602 0.000 -1.177) 3.789 13.231 ( -3.284 0.000 -7.354) 8.054 13.260 ( -4.018 0.000 5.616) 6.905 13.526 ( -2.213 0.000 -0.243) 2.226 13.614 ( 1.051 -0.000 0.850) 1.351 13.800 ( 2.359 -0.000 3.639) 4.336 14.282 ( 0.455 -0.000 -4.017) 4.043 14.338 ( 4.787 -0.000 1.408) 4.990 14.385 ( 17.232 -0.000 7.088) 18.633 14.844 ( 1.265 -0.000 1.236) 1.769 14.899 ( 17.288 -0.000 -0.524) 17.296 15.208 ( -0.497 0.000 9.568) 9.581 15.313 ( 20.052 -0.000 -8.060) 21.611 15.345 ( 13.171 -0.000 2.666) 13.438 15.511 ( 12.057 -0.000 -3.204) 12.475 16.501 ( -5.894 0.000 -0.545) 5.920 16.600 ( -3.765 0.000 -0.154) 3.768 16.728 ( 0.623 -0.000 1.401) 1.534 16.834 ( 0.302 -0.000 2.733) 2.749 16.925 ( 1.277 -0.000 -3.700) 3.914 16.962 ( 1.253 -0.000 0.427) 1.324 17.189 ( -6.870 0.000 0.012) 6.870 17.368 ( -3.629 0.000 8.546) 9.284 19.658 ( 2.916 -0.000 2.389) 3.770 19.729 ( 8.797 -0.000 -1.621) 8.945 21.508 ( -2.299 0.000 1.560) 2.778 21.522 ( -2.121 0.000 -0.948) 2.323 22.992 ( -6.312 0.000 -4.841) 7.954 23.022 ( -8.541 0.000 4.545) 9.675 27.887 ( -8.223 0.000 7.181) 10.917 28.499 ( 8.452 -0.000 12.700) 15.256 29.285 ( -2.602 0.000 -4.333) 5.054 29.642 ( 9.237 -0.000 -5.301) 10.650 29.809 ( -2.495 0.000 -3.376) 4.198 29.857 ( -1.379 0.000 3.376) 3.647 30.845 ( -2.947 0.000 6.099) 6.774 31.057 ( 4.772 -0.000 0.151) 4.775 31.089 ( 0.983 -0.000 -2.426) 2.618 31.091 ( 1.408 -0.000 0.767) 1.604 31.825 ( 0.675 -0.000 0.184) 0.700 31.880 ( 3.526 -0.000 1.733) 3.929 31.994 ( -5.261 0.000 -0.457) 5.281 32.011 ( -2.497 0.000 -3.511) 4.309 32.230 ( 1.312 -0.000 -0.260) 1.337 32.232 ( 3.361 -0.000 0.832) 3.463 32.343 ( 11.249 -0.000 0.789) 11.276 32.561 ( 14.579 -0.000 -6.564) 15.989 34.326 ( -1.672 0.000 -1.918) 2.544 34.381 ( -1.160 0.000 2.565) 2.815 35.310 ( -7.440 0.000 1.806) 7.656 35.632 ( -11.922 0.000 -1.338) 11.997 35.735 ( 12.391 -0.000 3.694) 12.930 35.826 ( 0.925 -0.000 1.087) 1.427 37.431 ( -16.663 0.000 -14.981) 22.407 37.681 ( -9.579 0.000 0.807) 9.613 ======================= Grid point 176 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 16.005 -9.897 -19.233) 26.907 1.513 ( 18.583 -11.279 5.073) 22.322 1.590 ( 16.485 -5.117 5.934) 18.252 1.897 ( 7.622 -2.806 10.185) 13.027 2.403 ( 14.517 1.008 -24.720) 28.685 2.527 ( 16.049 1.803 11.480) 19.814 2.840 ( 1.760 1.265 5.228) 5.660 3.024 ( 3.175 0.175 -3.100) 4.441 3.103 ( -4.512 0.753 3.721) 5.897 3.220 ( 1.144 1.047 -0.902) 1.794 3.349 ( -4.498 -3.004 6.077) 8.136 3.381 ( 2.358 0.566 -6.397) 6.841 3.575 ( 5.063 -3.590 -1.080) 6.300 3.630 ( 3.069 -2.184 -5.393) 6.578 3.726 ( -3.862 -4.239 0.467) 5.753 3.892 ( 4.601 -3.814 -3.852) 7.110 3.988 ( -0.226 -2.043 11.673) 11.852 4.046 ( 0.920 -1.590 -2.260) 2.913 4.218 ( 5.278 -1.223 -3.554) 6.480 4.310 ( 0.676 -3.102 2.841) 4.260 4.442 ( -0.391 0.690 0.188) 0.815 4.517 ( -6.505 3.759 7.314) 10.485 4.600 ( -0.806 -2.007 6.583) 6.929 4.726 ( 2.538 -2.667 -2.714) 4.573 4.799 ( 2.180 0.788 -2.988) 3.781 4.894 ( 3.539 -3.977 -3.594) 6.423 5.208 ( -1.833 1.780 10.991) 11.284 5.332 ( -0.624 1.400 -3.554) 3.870 5.486 ( 4.724 4.956 -9.333) 11.575 5.720 ( 0.558 -4.302 3.213) 5.398 5.812 ( -10.509 1.297 0.539) 10.602 5.892 ( -7.186 -0.377 -3.265) 7.902 6.206 ( -12.836 4.334 1.750) 13.660 6.373 ( -7.707 -4.812 0.365) 9.093 7.172 ( -5.611 -0.570 3.706) 6.749 7.546 ( 0.787 3.378 1.379) 3.732 7.601 ( 1.020 3.755 -3.640) 5.328 7.662 ( 3.589 0.381 1.532) 3.921 8.027 ( -3.615 3.701 -6.074) 7.979 8.161 ( -3.459 0.215 6.670) 7.517 8.377 ( -9.919 0.542 -1.277) 10.016 8.458 ( -10.437 -2.859 3.252) 11.300 8.671 ( 1.152 1.758 -7.843) 8.120 8.751 ( -1.622 -3.855 -1.565) 4.466 8.882 ( -0.604 3.787 0.475) 3.864 8.938 ( 2.160 2.221 -6.216) 6.946 9.462 ( -5.566 4.541 1.698) 7.381 9.508 ( -4.571 1.905 0.953) 5.043 9.856 ( -7.818 1.338 -1.632) 8.098 10.061 ( -3.284 -1.516 -0.376) 3.636 10.199 ( -1.646 2.894 7.030) 7.779 10.344 ( 3.837 -2.744 -2.998) 5.589 10.738 ( 1.894 0.710 -1.633) 2.600 10.830 ( 0.819 -2.789 -0.451) 2.941 11.042 ( 9.137 -0.270 -2.787) 9.556 11.262 ( 9.931 -2.151 2.673) 10.507 11.928 ( -7.037 1.954 -1.274) 7.413 11.984 ( -5.730 2.035 0.173) 6.083 12.722 ( -3.554 4.118 1.411) 5.620 12.831 ( -2.216 -1.480 -0.358) 2.688 13.163 ( -5.646 0.620 -5.409) 7.843 13.232 ( -5.275 0.005 4.553) 6.968 13.513 ( -0.486 -0.506 -0.159) 0.720 13.635 ( 2.939 0.044 1.539) 3.318 13.843 ( 2.460 -1.002 2.612) 3.725 14.183 ( 1.345 8.004 -4.146) 9.113 14.414 ( 10.145 -0.146 -0.905) 10.186 14.554 ( 8.245 -1.613 2.867) 8.877 14.846 ( -1.755 -0.345 3.313) 3.765 15.005 ( 0.454 -1.757 -3.075) 3.571 15.330 ( 14.118 -2.791 10.156) 17.614 15.408 ( 18.210 6.119 -1.355) 19.258 15.515 ( 18.986 1.232 -2.374) 19.174 15.638 ( 11.544 -1.534 -1.427) 11.732 16.445 ( -5.644 -0.803 -1.139) 5.814 16.559 ( -5.013 -0.768 -0.472) 5.094 16.758 ( 2.551 -0.589 2.474) 3.603 16.845 ( 0.029 -0.713 1.237) 1.428 16.923 ( 1.346 0.326 -1.500) 2.042 16.986 ( 0.566 -1.378 -0.513) 1.576 17.136 ( -5.284 -0.544 1.775) 5.601 17.307 ( -5.738 3.497 5.417) 8.631 19.695 ( 4.889 0.763 1.922) 5.309 19.795 ( 9.680 2.260 -1.673) 10.080 21.467 ( -3.999 2.335 1.459) 4.855 21.472 ( -4.145 1.579 -0.936) 4.534 22.948 ( -6.334 -3.431 -3.838) 8.162 22.971 ( -8.483 -2.333 4.239) 9.766 27.844 ( -4.278 0.337 6.720) 7.973 28.400 ( -3.062 13.476 2.862) 14.113 29.315 ( 5.957 -1.758 -4.422) 7.624 29.623 ( 2.271 5.656 -1.589) 6.299 29.799 ( 1.092 0.547 -1.527) 1.955 29.857 ( 1.505 -0.397 1.441) 2.121 30.849 ( -0.074 -0.601 4.328) 4.370 30.987 ( 4.431 2.897 -3.679) 6.447 31.141 ( -2.261 -6.659 0.732) 7.070 31.353 ( -3.558 -16.160 4.531) 17.156 31.782 ( 1.939 5.351 -1.893) 5.998 31.874 ( -2.975 0.760 4.731) 5.640 31.969 ( -1.737 1.000 -1.011) 2.245 32.043 ( -0.496 -5.653 -1.452) 5.858 32.238 ( 2.908 0.527 -0.640) 3.024 32.281 ( 3.413 -1.904 -0.103) 3.909 32.496 ( 14.124 -0.519 3.792) 14.633 32.704 ( 11.745 -4.083 -4.618) 13.264 34.332 ( -0.945 -2.925 -2.406) 3.904 34.403 ( -2.195 -3.595 3.384) 5.403 35.194 ( -8.856 5.264 2.679) 10.645 35.500 ( -12.900 -2.002 -7.209) 14.913 35.802 ( 8.856 3.662 0.740) 9.612 35.935 ( 7.744 -4.062 6.712) 11.023 36.979 ( -11.204 25.873 -16.176) 32.506 37.570 ( -8.308 4.131 0.538) 9.293 ======================= Grid point 177 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 11.661 -16.482 -12.488) 23.740 1.857 ( 5.823 -12.322 11.273) 17.687 1.895 ( 23.833 -6.461 -1.487) 24.738 2.012 ( 1.550 -4.770 0.312) 5.025 2.383 ( 7.146 8.657 -1.947) 11.393 2.694 ( 15.187 -2.426 1.697) 15.473 2.746 ( -5.862 5.812 4.149) 9.239 3.036 ( -4.246 2.036 0.255) 4.716 3.130 ( 9.532 -1.847 -7.278) 12.134 3.223 ( 1.438 1.339 0.076) 1.966 3.328 ( 1.154 1.951 -8.381) 8.682 3.404 ( -3.043 -4.900 3.943) 6.987 3.617 ( 1.059 -0.905 -4.622) 4.828 3.726 ( 3.136 -2.322 0.511) 3.935 3.830 ( -1.252 -8.145 0.493) 8.255 3.994 ( 6.325 -5.356 2.601) 8.686 4.089 ( 6.736 -4.124 3.905) 8.811 4.149 ( -0.035 -7.777 3.300) 8.448 4.254 ( -0.058 -1.314 -2.686) 2.991 4.293 ( -6.607 3.907 5.746) 9.588 4.478 ( 4.247 -4.410 0.044) 6.123 4.501 ( 1.792 -4.250 2.857) 5.426 4.673 ( 0.063 -3.626 3.786) 5.243 4.765 ( 0.804 1.731 -4.373) 4.771 4.784 ( 1.677 -1.015 -0.763) 2.103 4.953 ( -3.719 -1.767 -2.075) 4.611 5.153 ( -0.030 4.739 3.797) 6.072 5.337 ( 2.792 -1.520 2.510) 4.050 5.394 ( 2.347 8.640 -5.050) 10.279 5.576 ( -9.149 5.823 -3.756) 11.476 5.804 ( -4.719 -0.730 -4.621) 6.645 5.895 ( -2.275 -2.864 6.051) 7.071 6.037 ( -10.857 1.577 2.749) 11.310 6.377 ( -7.784 -4.171 -0.452) 8.843 7.153 ( -3.455 -0.983 4.134) 5.476 7.489 ( -0.418 3.409 3.358) 4.803 7.534 ( -1.327 2.057 -4.091) 4.767 7.687 ( 1.825 0.632 1.160) 2.252 7.913 ( -0.850 5.357 -5.405) 7.657 8.117 ( -4.630 2.533 3.008) 6.075 8.316 ( -5.029 -2.646 -1.913) 5.996 8.429 ( -8.074 -3.246 3.295) 9.305 8.610 ( 0.287 2.669 -7.319) 7.795 8.779 ( -1.468 1.319 2.890) 3.500 8.858 ( 2.186 -0.790 0.313) 2.345 8.929 ( 5.739 1.318 -6.840) 9.025 9.320 ( -6.576 6.060 2.285) 9.229 9.414 ( -4.763 3.826 -0.820) 6.164 9.762 ( -7.115 0.640 -0.326) 7.151 10.040 ( -4.976 -1.181 -1.673) 5.381 10.143 ( -0.643 4.708 6.472) 8.029 10.409 ( 2.304 -1.774 -2.185) 3.637 10.755 ( 3.649 -0.441 -1.462) 3.956 10.879 ( 0.463 -2.018 0.517) 2.134 11.127 ( 8.408 -0.535 -2.139) 8.692 11.394 ( 7.605 -2.278 1.526) 8.084 11.824 ( -5.543 2.367 -0.387) 6.040 11.911 ( -2.864 1.734 0.253) 3.357 12.632 ( -2.175 3.713 1.247) 4.480 12.809 ( -2.821 0.981 -1.161) 3.204 13.096 ( -4.346 -0.136 -2.882) 5.217 13.183 ( -5.990 0.685 2.882) 6.683 13.535 ( 0.636 -1.822 0.374) 1.966 13.673 ( 2.625 -0.582 1.758) 3.213 13.884 ( 1.854 -0.298 1.624) 2.482 14.064 ( 3.004 6.463 -4.714) 8.545 14.500 ( 10.649 1.470 -0.895) 10.787 14.623 ( 4.825 1.365 2.380) 5.550 14.849 ( -2.193 -0.868 5.107) 5.625 14.999 ( -0.851 -0.187 -4.627) 4.709 15.444 ( 11.084 2.673 -1.941) 11.566 15.552 ( 14.556 0.500 4.146) 15.144 15.623 ( 11.502 2.501 1.041) 11.817 15.742 ( 9.168 -0.255 -1.843) 9.355 16.441 ( -1.240 -3.735 -3.542) 5.294 16.534 ( -3.971 -1.412 0.522) 4.247 16.789 ( 1.105 0.303 1.272) 1.712 16.867 ( 0.968 -1.666 -1.204) 2.272 16.942 ( 1.843 -0.463 2.784) 3.370 17.007 ( -0.613 -1.246 -0.508) 1.479 17.118 ( -2.626 -1.109 1.540) 3.240 17.206 ( -5.924 2.767 2.618) 7.043 19.734 ( 6.098 1.302 0.876) 6.297 19.834 ( 7.688 2.256 -1.318) 8.120 21.367 ( -6.092 3.318 -0.785) 6.982 21.399 ( -4.313 2.355 1.197) 5.058 22.953 ( -4.287 -4.609 -6.023) 8.712 22.966 ( -6.756 -3.652 6.897) 10.323 27.829 ( -2.082 0.059 5.044) 5.457 28.150 ( -2.737 11.276 -3.749) 12.194 29.390 ( 5.219 -1.789 -4.730) 7.267 29.560 ( 0.238 2.750 1.236) 3.025 29.778 ( 1.378 2.770 1.943) 3.653 29.901 ( 3.490 -0.821 -0.525) 3.623 30.883 ( 1.458 -1.246 2.680) 3.295 30.998 ( 3.644 0.105 -2.938) 4.682 31.230 ( -2.856 -6.878 -1.326) 7.564 31.529 ( -5.643 -9.194 3.055) 11.212 31.708 ( 0.923 4.085 0.412) 4.209 31.860 ( -3.351 -1.170 4.889) 6.042 31.923 ( -1.691 2.071 -0.824) 2.798 32.103 ( -1.750 -2.754 -0.986) 3.409 32.283 ( 4.942 -1.432 0.004) 5.145 32.348 ( 3.842 -1.812 -0.354) 4.263 32.599 ( 8.979 1.711 -0.893) 9.184 32.861 ( 6.578 -3.397 2.646) 7.862 34.388 ( 0.590 -5.103 -3.596) 6.270 34.478 ( -3.022 -6.966 4.774) 8.969 35.026 ( -7.354 5.127 0.600) 8.985 35.410 ( -11.621 -2.557 -6.843) 13.727 35.825 ( 9.689 3.875 -1.380) 10.526 36.068 ( 4.703 -0.614 9.081) 10.245 36.433 ( -0.544 25.683 -11.784) 28.263 37.404 ( -6.037 7.254 0.214) 9.440 ======================= Grid point 178 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 1.367 -12.079 -3.428) 12.630 2.087 ( 1.404 -5.695 -12.380) 13.699 2.120 ( 10.502 -1.961 -0.349) 10.689 2.139 ( 8.433 -6.611 5.843) 12.205 2.319 ( 8.750 5.563 9.889) 14.328 2.592 ( 1.351 10.040 7.308) 12.491 2.899 ( 2.128 1.134 7.629) 8.001 2.992 ( 1.503 -9.753 -12.231) 15.716 3.154 ( 2.078 0.562 -8.734) 8.995 3.179 ( -2.834 0.638 0.637) 2.974 3.348 ( 6.100 0.934 -1.664) 6.391 3.487 ( 0.396 -5.032 2.649) 5.700 3.632 ( 0.792 -0.875 -2.417) 2.690 3.751 ( -1.468 -1.247 -5.448) 5.779 3.866 ( 0.236 1.723 0.802) 1.915 4.017 ( -9.892 5.681 11.001) 15.847 4.223 ( 4.038 -4.823 -2.666) 6.831 4.243 ( 0.534 -1.755 4.880) 5.213 4.329 ( 0.294 -8.645 0.616) 8.672 4.383 ( 6.158 -9.956 -1.604) 11.816 4.591 ( 4.650 -2.397 -4.855) 7.137 4.596 ( -3.288 -4.398 2.641) 6.093 4.661 ( -0.169 0.863 3.978) 4.074 4.720 ( -3.519 5.672 0.672) 6.709 4.828 ( 2.865 -4.085 -3.739) 6.235 4.937 ( -0.179 -2.839 -1.383) 3.163 5.097 ( 0.036 5.386 6.443) 8.398 5.237 ( 0.557 8.232 -4.643) 9.467 5.366 ( -2.486 2.164 -1.778) 3.745 5.477 ( 4.594 -0.635 2.620) 5.327 5.776 ( -1.235 -1.139 -3.386) 3.780 5.873 ( -6.783 -0.022 0.673) 6.816 5.983 ( -3.106 0.143 4.027) 5.088 6.359 ( -8.199 -3.300 -1.059) 8.902 7.165 ( -0.671 -1.546 2.409) 2.940 7.452 ( -2.224 1.365 4.137) 4.891 7.508 ( -0.140 -2.042 -4.894) 5.305 7.689 ( -0.726 -0.264 2.534) 2.649 7.812 ( 2.278 6.173 -2.849) 7.170 8.020 ( -3.775 3.941 0.404) 5.472 8.346 ( -1.770 -4.821 -3.029) 5.962 8.425 ( -5.543 -2.709 2.362) 6.606 8.562 ( 1.770 2.267 -3.774) 4.745 8.726 ( -0.342 4.020 3.828) 5.562 8.907 ( 1.640 -2.039 0.030) 2.617 8.942 ( 3.205 1.419 -4.865) 5.996 9.171 ( -6.806 4.280 2.141) 8.320 9.306 ( -3.021 3.222 -2.373) 5.014 9.713 ( -4.146 -1.434 0.823) 4.464 10.006 ( -4.130 -0.836 -2.531) 4.916 10.085 ( 1.140 3.997 5.978) 7.281 10.425 ( -0.017 0.049 -2.207) 2.208 10.811 ( 4.224 -1.823 -0.432) 4.621 10.900 ( 0.397 0.361 0.427) 0.686 11.189 ( 5.450 0.900 -1.006) 5.614 11.466 ( 2.597 0.017 0.410) 2.629 11.762 ( -2.609 0.517 0.794) 2.776 11.876 ( -0.508 0.577 -0.420) 0.876 12.573 ( -0.201 2.268 0.526) 2.337 12.761 ( -2.244 0.699 -1.026) 2.565 13.067 ( -3.207 -0.881 -0.512) 3.365 13.123 ( -5.578 0.109 0.679) 5.620 13.574 ( 0.261 -1.810 0.428) 1.878 13.703 ( 0.952 -0.127 1.545) 1.819 13.884 ( 1.874 2.092 -0.432) 2.842 14.020 ( 4.894 2.527 -2.592) 6.087 14.561 ( 9.878 2.776 -0.454) 10.270 14.628 ( 3.286 2.686 1.933) 4.663 14.859 ( -3.355 -1.155 7.738) 8.513 14.984 ( 2.590 0.993 -7.440) 7.940 15.493 ( 8.002 2.029 -1.937) 8.479 15.603 ( 3.531 3.264 1.034) 4.919 15.643 ( 2.654 3.895 1.830) 5.056 15.819 ( 5.712 0.218 -1.104) 5.822 16.503 ( 2.387 -3.103 -6.651) 7.717 16.550 ( -0.820 -3.641 4.493) 5.841 16.771 ( -0.644 1.753 -1.539) 2.419 16.908 ( 1.261 -1.631 0.098) 2.064 16.972 ( 0.453 -0.300 3.675) 3.714 17.008 ( -1.306 -0.083 -1.082) 1.698 17.124 ( -3.306 -0.847 -0.314) 3.427 17.134 ( -2.456 -0.087 2.633) 3.602 19.764 ( 5.356 2.051 0.161) 5.738 19.854 ( 4.298 2.016 -0.453) 4.769 21.262 ( -4.961 1.911 -1.445) 5.510 21.332 ( -3.901 1.131 1.688) 4.398 22.980 ( -1.559 -4.127 -6.823) 8.125 22.994 ( -4.798 -3.620 7.351) 9.495 27.829 ( -0.957 -0.430 3.146) 3.317 27.975 ( -1.406 6.354 -3.410) 7.347 29.431 ( 2.289 -0.319 -2.912) 3.717 29.554 ( 1.170 -0.615 1.241) 1.813 29.752 ( 1.365 2.590 1.221) 3.172 29.925 ( 1.540 1.020 -0.110) 1.851 30.923 ( 1.778 -0.817 1.797) 2.657 31.018 ( 2.437 0.365 -2.325) 3.388 31.310 ( -1.524 -6.266 -2.713) 6.996 31.574 ( 0.105 0.168 0.183) 0.270 31.691 ( -3.958 -2.489 4.276) 6.336 31.868 ( -3.028 1.071 -1.861) 3.712 31.882 ( 0.558 -1.203 5.055) 5.226 32.116 ( -0.396 -1.429 -2.609) 3.001 32.351 ( 3.089 -1.325 0.667) 3.427 32.401 ( 3.330 -0.231 0.117) 3.340 32.617 ( 4.436 2.766 -2.231) 5.683 32.935 ( 0.739 -0.350 3.410) 3.507 34.490 ( 2.505 -6.571 -3.393) 7.808 34.587 ( -3.238 -7.327 4.183) 9.037 34.915 ( -4.597 0.989 0.749) 4.761 35.302 ( -12.895 0.050 -5.219) 13.911 35.841 ( 11.584 6.946 -3.266) 13.896 35.965 ( -1.819 12.598 4.715) 13.574 36.221 ( 9.786 5.295 -2.303) 11.363 37.235 ( -6.721 5.558 0.054) 8.721 ======================= Grid point 179 (80/95) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -9.663 3.445 0.148) 10.260 2.050 ( -2.283 3.191 -6.071) 7.229 2.201 ( 5.946 -2.556 -3.800) 7.505 2.295 ( 7.541 -0.563 -1.748) 7.761 2.417 ( 9.528 3.664 7.177) 12.479 2.508 ( 7.801 7.854 8.283) 13.826 2.841 ( -0.212 -1.502 1.627) 2.224 3.098 ( -2.986 2.760 -6.237) 7.445 3.176 ( -1.528 -9.751 -2.240) 10.121 3.264 ( 3.367 -4.666 3.731) 6.858 3.377 ( 4.682 -0.006 -1.406) 4.889 3.499 ( -2.406 5.500 4.796) 7.684 3.627 ( -0.233 1.980 -0.853) 2.169 3.788 ( 1.189 -8.013 -9.933) 12.818 3.818 ( -1.164 2.287 0.595) 2.634 3.882 ( -6.345 3.623 6.750) 9.947 4.198 ( -9.743 1.910 0.042) 9.928 4.279 ( -3.599 1.341 1.080) 3.990 4.374 ( -3.408 -2.566 -1.773) 4.620 4.525 ( 1.192 1.125 -1.235) 2.053 4.551 ( -3.131 1.111 1.269) 3.556 4.610 ( -2.857 -2.250 -5.778) 6.827 4.658 ( 3.551 0.278 -0.999) 3.699 4.791 ( -1.397 -4.652 5.385) 7.252 4.815 ( 2.198 1.939 0.107) 2.933 4.957 ( -0.699 1.074 1.516) 1.985 5.100 ( 4.604 7.870 -4.738) 10.276 5.184 ( 12.982 -6.701 1.323) 14.669 5.344 ( -1.088 -1.256 1.128) 2.008 5.572 ( 8.480 -0.195 4.273) 9.498 5.786 ( -1.488 -0.129 -0.553) 1.593 5.804 ( -4.776 -1.421 -1.944) 5.349 5.981 ( -1.077 -1.738 0.851) 2.214 6.342 ( -7.851 -4.550 -0.929) 9.121 7.197 ( 1.314 -1.099 1.381) 2.200 7.418 ( -4.090 -0.354 0.252) 4.113 7.571 ( 4.589 -3.131 -3.316) 6.470 7.700 ( -0.291 0.505 3.542) 3.590 7.740 ( 2.448 3.674 -0.221) 4.420 7.957 ( -1.739 -0.744 -0.181) 1.900 8.403 ( -0.824 -4.198 -3.102) 5.284 8.427 ( -3.656 -2.585 1.770) 4.814 8.544 ( 2.402 1.787 -0.615) 3.057 8.676 ( 0.421 2.973 2.408) 3.849 8.887 ( -3.671 2.895 -1.495) 4.908 8.927 ( -2.276 1.246 -1.492) 2.993 9.101 ( -1.580 -1.954 1.131) 2.756 9.275 ( 0.700 -1.563 -1.904) 2.561 9.741 ( 0.817 -3.342 0.872) 3.549 9.985 ( -2.541 -1.345 -0.462) 2.912 10.083 ( 4.270 0.863 3.158) 5.380 10.408 ( -1.651 0.085 -1.889) 2.510 10.874 ( 0.999 2.905 -1.036) 3.242 10.877 ( 2.188 -1.449 1.363) 2.957 11.185 ( 1.661 3.499 -0.347) 3.889 11.448 ( -2.638 2.111 0.263) 3.389 11.758 ( -0.387 -1.295 1.186) 1.798 11.871 ( 0.231 -0.108 -1.101) 1.130 12.560 ( 2.266 0.359 -0.550) 2.359 12.755 ( -0.149 -1.439 0.231) 1.465 13.054 ( -4.319 -1.798 1.461) 4.901 13.090 ( -3.477 -1.639 -1.927) 4.300 13.595 ( 0.042 -0.401 -0.068) 0.409 13.700 ( -0.786 0.702 0.105) 1.059 13.877 ( 3.470 1.677 1.132) 4.017 14.028 ( 4.749 1.852 -1.747) 5.389 14.573 ( 5.227 4.307 0.576) 6.798 14.639 ( 8.098 2.690 -0.125) 8.534 14.873 ( -3.412 -1.734 9.219) 9.982 14.967 ( 2.692 1.440 -8.476) 9.009 15.497 ( 0.195 2.516 -2.360) 3.455 15.538 ( -1.631 5.900 2.231) 6.515 15.573 ( -3.067 4.147 0.115) 5.159 15.808 ( -1.377 3.388 -0.164) 3.661 16.547 ( 1.967 -1.532 0.348) 2.517 16.635 ( 3.787 -1.733 0.335) 4.178 16.727 ( -1.163 0.558 -2.853) 3.131 16.929 ( -0.022 0.462 1.916) 1.971 16.958 ( -3.984 1.059 0.060) 4.123 16.987 ( -1.748 -0.253 -0.213) 1.779 17.112 ( -0.731 -1.659 -0.327) 1.842 17.157 ( 0.186 -1.513 0.875) 1.757 19.760 ( 2.814 3.230 -0.145) 4.286 19.839 ( 0.598 2.623 0.063) 2.691 21.225 ( -1.238 -1.831 -1.810) 2.857 21.309 ( -2.353 -1.455 1.991) 3.408 23.017 ( 0.955 -3.029 -7.223) 7.890 23.031 ( -3.056 -2.753 7.250) 8.336 27.843 ( -0.541 -1.185 1.757) 2.188 27.887 ( -0.534 2.521 -1.880) 3.190 29.447 ( 1.772 -0.041 0.946) 2.008 29.579 ( 0.633 -0.307 -0.280) 0.757 29.723 ( 0.913 2.128 -0.949) 2.502 29.896 ( -1.694 2.095 0.050) 2.694 30.947 ( 1.446 0.393 1.284) 1.973 31.016 ( 0.884 1.113 -1.354) 1.963 31.399 ( 0.993 -5.706 -2.752) 6.412 31.568 ( 3.896 2.919 2.632) 5.534 31.700 ( -5.999 -2.886 1.327) 6.788 31.820 ( -1.673 1.267 -0.986) 2.319 31.946 ( 2.947 -2.803 3.522) 5.380 32.142 ( 2.310 -1.840 -4.128) 5.076 32.376 ( 0.522 0.757 0.374) 0.992 32.411 ( 1.114 1.778 0.726) 2.220 32.589 ( 1.604 3.283 -0.947) 3.775 32.913 ( -4.008 1.712 1.372) 4.569 34.621 ( 2.550 -2.904 1.839) 4.280 34.649 ( 1.252 -3.850 -0.775) 4.122 34.916 ( -4.983 -4.330 -2.578) 7.087 35.158 ( -12.695 -1.122 0.943) 12.779 35.738 ( 6.839 9.977 -0.348) 12.101 35.922 ( 5.603 0.720 1.016) 5.739 36.225 ( 8.991 4.670 -0.905) 10.172 37.105 ( -9.293 0.716 -0.019) 9.321 ======================= Grid point 180 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -11.611 11.854 4.092) 17.090 1.887 ( -10.214 6.574 -6.130) 13.606 2.199 ( 5.241 10.614 -1.800) 11.973 2.317 ( 8.360 11.520 -9.444) 17.082 2.377 ( 2.395 2.621 9.592) 10.228 2.511 ( 3.985 -0.825 2.140) 4.598 2.958 ( 4.944 -3.477 -4.158) 7.337 3.035 ( -0.093 -0.299 0.469) 0.564 3.219 ( -4.482 8.327 9.480) 13.391 3.271 ( 3.156 5.752 -0.822) 6.612 3.357 ( 0.217 1.283 10.419) 10.500 3.465 ( -1.145 -3.609 -2.986) 4.822 3.586 ( -1.038 1.141 -3.583) 3.901 3.688 ( -9.225 5.910 -2.571) 11.253 3.880 ( -1.690 -3.962 11.148) 11.951 3.936 ( 1.366 -7.787 -11.842) 14.239 4.067 ( -6.321 1.090 1.823) 6.668 4.195 ( -8.479 0.915 -5.884) 10.361 4.336 ( 0.804 4.089 -3.867) 5.685 4.393 ( -3.062 8.408 1.386) 9.055 4.573 ( -1.121 -1.376 2.113) 2.759 4.609 ( 0.204 -2.962 -3.078) 4.277 4.641 ( 1.649 3.912 -3.566) 5.544 4.756 ( -4.058 2.193 4.746) 6.619 4.922 ( 0.344 -6.622 2.668) 7.147 4.984 ( 4.308 -2.902 -1.714) 5.470 5.018 ( 5.095 7.345 -1.734) 9.106 5.292 ( -0.429 5.532 -2.124) 5.942 5.403 ( 5.875 -1.964 4.990) 7.954 5.674 ( 5.275 -3.202 1.480) 6.346 5.816 ( 2.782 -5.196 3.946) 7.093 5.832 ( 3.100 -2.709 -3.685) 5.525 6.031 ( 1.810 -4.773 -2.390) 5.636 6.353 ( -8.043 -5.540 0.023) 9.766 7.232 ( 2.737 -0.315 2.283) 3.578 7.390 ( -3.088 -0.699 -2.789) 4.220 7.600 ( 2.534 2.567 -1.539) 3.922 7.663 ( -1.942 2.755 1.771) 3.808 7.804 ( 6.472 -5.203 0.545) 8.322 8.018 ( -0.413 -6.273 -0.184) 6.289 8.445 ( 0.153 -1.554 2.405) 2.867 8.468 ( -0.923 -5.163 0.879) 5.318 8.550 ( 3.157 -0.072 -0.579) 3.211 8.651 ( 0.976 1.097 -0.837) 1.690 8.802 ( -5.572 1.216 -0.897) 5.773 8.842 ( -7.622 0.888 -0.516) 7.691 9.196 ( 4.066 -5.883 0.729) 7.189 9.330 ( 0.275 -4.286 -1.376) 4.510 9.831 ( 4.907 -3.589 0.433) 6.095 10.003 ( -2.070 -3.063 1.587) 4.023 10.144 ( 6.786 -0.884 0.056) 6.844 10.383 ( -3.341 -0.279 -1.002) 3.499 10.818 ( 1.615 3.929 -0.753) 4.314 10.914 ( -0.003 -0.805 1.770) 1.945 11.112 ( 0.086 5.738 -0.223) 5.743 11.350 ( -7.278 3.989 -0.204) 8.302 11.806 ( 2.029 -3.263 1.207) 4.027 11.884 ( 0.749 -1.693 -1.348) 2.290 12.599 ( 4.462 -1.464 -1.424) 4.908 12.787 ( -1.764 -2.397 1.417) 3.296 13.066 ( -3.293 -3.641 2.689) 5.597 13.102 ( -1.767 -3.731 -3.307) 5.290 13.590 ( 1.322 1.437 -0.206) 1.963 13.674 ( -1.421 0.892 -1.245) 2.090 13.898 ( 4.688 1.293 2.577) 5.504 14.030 ( 3.264 2.017 -1.455) 4.104 14.543 ( 6.051 5.765 0.394) 8.367 14.666 ( 8.137 3.716 -1.127) 9.016 14.902 ( 0.401 -0.654 4.253) 4.321 14.947 ( -2.503 -1.496 -2.159) 3.629 15.337 ( -13.750 7.360 -0.333) 15.600 15.410 ( -9.211 5.442 -0.341) 10.704 15.483 ( 2.353 5.575 -1.196) 6.169 15.696 ( -6.184 5.182 0.842) 8.112 16.586 ( 1.292 0.497 6.627) 6.770 16.637 ( 3.510 2.694 -4.392) 6.234 16.753 ( 1.452 -2.539 -2.349) 3.751 16.883 ( -4.293 1.614 -1.085) 4.713 16.924 ( -0.972 0.967 2.941) 3.245 16.976 ( -2.004 -0.973 -1.669) 2.783 17.146 ( 1.443 -1.727 -0.941) 2.439 17.186 ( -0.013 -1.683 0.580) 1.780 19.717 ( 0.964 3.553 -0.341) 3.697 19.783 ( -2.172 3.141 0.380) 3.838 21.282 ( 1.984 -4.677 -1.944) 5.439 21.345 ( -1.058 -3.730 2.106) 4.413 23.055 ( 2.821 -1.820 -7.262) 8.001 23.067 ( -1.589 -1.769 6.951) 7.347 27.849 ( 1.175 0.389 -2.611) 2.890 27.885 ( -1.955 -3.147 2.651) 4.556 29.467 ( 1.409 0.851 4.143) 4.458 29.563 ( -0.247 1.854 -1.958) 2.708 29.702 ( 1.459 0.866 -2.170) 2.754 29.840 ( -4.059 1.009 0.057) 4.183 30.943 ( 1.378 1.936 -0.258) 2.390 30.992 ( -0.994 1.600 0.438) 1.933 31.498 ( 2.464 -4.720 0.001) 5.325 31.563 ( 6.207 4.833 3.683) 8.686 31.693 ( -5.780 -3.538 -1.197) 6.882 31.779 ( -1.495 1.646 -3.604) 4.235 32.041 ( 5.600 -2.318 3.493) 6.996 32.190 ( 3.293 -1.822 -4.405) 5.794 32.338 ( -0.269 3.547 -1.144) 3.737 32.372 ( -1.963 2.573 1.060) 3.406 32.539 ( 0.888 4.160 0.629) 4.300 32.815 ( -8.313 3.374 0.325) 8.978 34.597 ( 1.103 4.793 5.914) 7.692 34.746 ( 3.741 4.271 -7.039) 9.043 34.893 ( -1.004 -6.586 -2.847) 7.245 35.196 ( -12.534 -13.427 5.175) 19.084 35.689 ( 6.538 3.967 0.174) 7.650 35.949 ( -4.552 -0.987 2.546) 5.308 36.294 ( 20.455 0.278 -2.086) 20.563 37.041 ( -13.045 -5.735 -0.082) 14.250 ======================= Grid point 181 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -7.014 14.052 8.159) 17.698 1.617 ( -13.036 9.935 -6.986) 17.817 1.970 ( 1.897 19.832 4.546) 20.434 2.050 ( -1.014 19.538 -9.051) 21.557 2.418 ( 7.385 1.869 -1.655) 7.796 2.533 ( -4.280 1.693 1.426) 4.818 2.967 ( 3.407 4.633 4.646) 7.393 3.006 ( 1.010 6.674 -1.876) 7.006 3.109 ( 0.361 1.551 8.121) 8.275 3.201 ( -2.598 1.476 -4.123) 5.092 3.347 ( 1.449 2.623 4.370) 5.299 3.473 ( -8.758 2.660 -2.891) 9.599 3.541 ( 1.864 -2.160 3.038) 4.167 3.587 ( -1.478 0.056 -3.265) 3.584 3.943 ( -0.369 -0.224 1.717) 1.770 3.965 ( -0.969 -2.418 1.921) 3.236 4.027 ( -3.053 4.168 1.892) 5.502 4.091 ( -4.012 1.929 -9.463) 10.458 4.276 ( 2.864 2.056 -1.834) 3.974 4.305 ( -0.518 0.059 -0.429) 0.676 4.529 ( 1.900 5.697 2.546) 6.524 4.579 ( 0.663 4.627 -1.514) 4.913 4.666 ( -0.296 -1.432 -4.716) 4.937 4.706 ( -4.136 -0.829 4.560) 6.212 4.929 ( 6.154 8.045 -0.774) 10.159 5.020 ( -2.576 0.438 -2.652) 3.722 5.081 ( 1.954 -5.218 6.027) 8.207 5.168 ( -3.581 -1.244 -4.640) 5.992 5.498 ( 7.394 -0.354 8.240) 11.077 5.688 ( -6.475 -1.152 -6.429) 9.197 5.923 ( 6.697 -2.153 -0.325) 7.042 5.955 ( 2.967 -3.176 3.511) 5.588 6.192 ( 9.233 -8.665 -3.339) 13.095 6.368 ( -8.278 -5.585 0.837) 10.021 7.276 ( 3.983 -0.309 3.236) 5.141 7.367 ( -3.111 -1.224 -4.335) 5.474 7.582 ( 0.825 0.867 1.072) 1.607 7.608 ( -1.700 1.303 -0.517) 2.203 7.963 ( 6.778 -4.757 2.537) 8.661 8.088 ( -3.306 -3.827 -3.285) 6.031 8.518 ( 4.942 -4.326 4.618) 8.029 8.579 ( 5.349 -3.472 1.076) 6.467 8.604 ( 0.277 -5.870 -3.763) 6.978 8.659 ( 0.130 -1.282 3.429) 3.663 8.737 ( -5.779 -0.781 -2.845) 6.488 8.779 ( -7.303 -1.698 0.088) 7.498 9.340 ( 3.687 -6.090 1.735) 7.327 9.401 ( -0.930 -5.101 -2.336) 5.687 9.943 ( 6.237 -3.039 1.095) 7.024 10.040 ( -3.195 -3.370 0.437) 4.665 10.223 ( 7.395 -0.462 -1.868) 7.642 10.340 ( -5.348 0.527 0.655) 5.414 10.790 ( 4.624 2.464 -1.079) 5.349 10.900 ( -6.478 0.339 2.666) 7.013 11.028 ( 5.348 6.124 0.165) 8.132 11.190 ( -9.558 5.000 -1.202) 10.854 11.905 ( 3.237 -4.956 1.086) 6.018 11.938 ( 0.913 -4.235 -1.082) 4.466 12.682 ( 5.951 -3.080 -1.565) 6.881 12.797 ( -5.577 -2.831 1.345) 6.397 13.133 ( -0.891 -5.301 4.551) 7.043 13.156 ( -0.255 -4.994 -4.429) 6.680 13.582 ( 3.045 1.864 0.052) 3.571 13.633 ( -1.909 1.767 -0.895) 2.751 13.926 ( 6.523 2.289 -0.530) 6.933 14.013 ( -1.120 1.216 0.719) 1.803 14.500 ( 8.594 7.736 0.527) 11.575 14.641 ( 2.352 6.000 -2.347) 6.858 14.901 ( 0.232 1.557 -1.722) 2.333 14.964 ( -9.847 -3.013 3.136) 10.764 15.061 ( -7.658 8.081 4.429) 11.981 15.202 ( -12.876 4.527 -4.130) 14.260 15.420 ( 5.281 5.551 -1.925) 7.899 15.546 ( -8.253 4.831 1.803) 9.732 16.588 ( 2.189 2.148 4.260) 5.249 16.625 ( 0.702 0.980 -1.642) 2.037 16.779 ( 1.575 0.640 -1.512) 2.275 16.821 ( -2.555 1.130 -2.336) 3.642 16.922 ( 0.730 -0.175 3.172) 3.260 16.970 ( -2.413 -1.035 -1.548) 3.048 17.187 ( 2.517 -1.637 -1.250) 3.252 17.217 ( -0.884 -2.412 0.546) 2.627 19.671 ( 0.897 2.741 -0.405) 2.912 19.708 ( -3.087 2.757 0.542) 4.174 21.383 ( 2.674 -4.914 -1.886) 5.904 21.411 ( -1.042 -4.385 1.944) 4.908 23.088 ( 3.295 -0.798 -5.453) 6.420 23.097 ( -0.582 -0.924 5.108) 5.224 27.869 ( 4.045 -1.531 -4.522) 6.257 27.935 ( -5.163 -5.341 4.265) 8.566 29.457 ( 1.404 3.083 5.512) 6.470 29.518 ( -1.415 1.487 -4.033) 4.525 29.721 ( 2.792 -1.237 -0.811) 3.160 29.793 ( -4.412 -0.339 -0.022) 4.425 30.915 ( 2.071 2.623 -2.398) 4.114 30.947 ( -2.646 2.117 2.400) 4.152 31.540 ( 6.680 6.780 4.676) 10.604 31.595 ( 1.757 -2.929 3.563) 4.936 31.695 ( -2.875 0.987 -4.301) 5.267 31.713 ( -3.516 -1.763 -6.279) 7.409 32.136 ( 6.350 -0.837 2.908) 7.034 32.220 ( -0.412 -0.397 -1.266) 1.389 32.268 ( 2.155 4.213 -3.779) 6.056 32.298 ( -3.447 3.552 0.826) 5.018 32.478 ( 3.887 5.634 0.267) 6.850 32.649 ( -11.841 5.334 1.680) 13.095 34.537 ( 1.340 6.056 7.372) 9.634 34.604 ( -0.305 7.787 -8.417) 11.470 35.095 ( 8.466 -10.184 -0.492) 13.252 35.298 ( -12.916 -11.419 1.783) 17.332 35.721 ( 7.640 0.622 0.173) 7.668 35.885 ( -9.645 0.170 1.571) 9.774 36.622 ( 25.732 -12.835 1.416) 28.790 37.050 ( -17.447 -13.165 -0.799) 21.871 ======================= Grid point 182 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -3.287 9.954 -16.234) 19.324 1.320 ( 3.287 9.954 16.234) 19.324 1.651 ( 0.844 21.490 -13.572) 25.431 1.651 ( -0.844 21.490 13.572) 25.431 2.404 ( 9.523 6.326 -19.546) 22.644 2.404 ( -9.523 6.326 19.546) 22.644 2.942 ( 1.808 1.597 -8.043) 8.397 2.942 ( -1.808 1.597 8.043) 8.397 3.127 ( -2.420 0.545 -4.164) 4.847 3.127 ( 2.420 0.545 4.164) 4.847 3.386 ( -3.037 -0.926 -3.838) 4.981 3.386 ( 3.037 -0.926 3.838) 4.981 3.551 ( 5.383 2.960 -9.752) 11.525 3.551 ( -5.383 2.960 9.752) 11.525 3.932 ( 1.119 5.201 -4.853) 7.201 3.932 ( -1.119 5.201 4.853) 7.201 3.991 ( -3.394 0.178 -0.318) 3.413 3.991 ( 3.394 0.178 0.318) 3.413 4.293 ( -2.935 1.337 -3.059) 4.445 4.293 ( 2.935 1.337 3.059) 4.445 4.496 ( -0.330 1.333 -5.741) 5.903 4.496 ( 0.330 1.333 5.741) 5.903 4.671 ( 3.139 1.258 -3.994) 5.233 4.671 ( -3.139 1.258 3.994) 5.233 4.870 ( 3.681 6.480 -4.503) 8.707 4.870 ( -3.681 6.480 4.503) 8.707 5.230 ( 1.261 -6.702 -6.823) 9.646 5.230 ( -1.261 -6.702 6.823) 9.646 5.587 ( -3.533 1.818 -13.726) 14.289 5.587 ( 3.533 1.818 13.726) 14.289 6.003 ( 1.295 -2.283 -2.943) 3.943 6.003 ( -1.295 -2.283 2.943) 3.943 6.384 ( 0.822 -4.380 -5.415) 7.013 6.384 ( -0.822 -4.380 5.415) 7.013 7.342 ( -3.177 -1.548 -4.302) 5.568 7.342 ( 3.177 -1.548 4.302) 5.568 7.595 ( 0.897 -1.231 -5.013) 5.239 7.595 ( -0.897 -1.231 5.013) 5.239 8.086 ( -1.854 -2.767 -6.820) 7.590 8.086 ( 1.854 -2.767 6.820) 7.590 8.619 ( 2.358 0.165 -3.635) 4.336 8.619 ( -2.358 0.165 3.635) 4.336 8.710 ( -3.818 -1.883 -6.043) 7.392 8.710 ( 3.818 -1.883 6.043) 7.392 8.788 ( -2.753 -9.729 -0.547) 10.126 8.788 ( 2.753 -9.729 0.547) 10.126 9.469 ( -0.215 -5.616 -4.351) 7.108 9.469 ( 0.215 -5.616 4.351) 7.108 10.042 ( -3.748 -1.627 -2.879) 4.999 10.042 ( 3.748 -1.627 2.879) 4.999 10.278 ( 2.323 0.804 -3.734) 4.471 10.278 ( -2.323 0.804 3.734) 4.471 10.810 ( -3.986 1.943 0.319) 4.446 10.810 ( 3.986 1.943 -0.319) 4.446 11.019 ( -8.513 3.957 -2.026) 9.604 11.019 ( 8.513 3.957 2.026) 9.604 12.017 ( -0.981 -5.077 -1.127) 5.293 12.017 ( 0.981 -5.077 1.127) 5.293 12.799 ( -4.574 -3.916 0.163) 6.024 12.799 ( 4.574 -3.916 -0.163) 6.024 13.226 ( 1.280 -4.313 -5.617) 7.197 13.226 ( -1.280 -4.313 5.617) 7.197 13.583 ( 0.251 1.245 -1.970) 2.344 13.583 ( -0.251 1.245 1.970) 2.344 13.950 ( 2.842 2.099 -5.457) 6.500 13.950 ( -2.842 2.099 5.457) 6.500 14.457 ( -8.588 8.402 -3.424) 12.493 14.457 ( 8.588 8.402 3.424) 12.493 14.836 ( -2.251 4.905 -2.751) 6.057 14.836 ( 2.251 4.905 2.751) 6.057 15.083 ( -1.479 -2.439 -8.730) 9.184 15.083 ( 1.479 -2.439 8.730) 9.184 15.400 ( 1.519 3.826 -2.179) 4.658 15.400 ( -1.519 3.826 2.179) 4.658 16.595 ( -0.374 0.818 -3.916) 4.018 16.595 ( 0.374 0.818 3.916) 4.018 16.780 ( -1.811 0.672 -2.270) 2.980 16.780 ( 1.811 0.672 2.270) 2.980 16.950 ( -2.480 0.087 -1.114) 2.720 16.950 ( 2.480 0.087 1.114) 2.720 17.246 ( -2.846 -2.762 0.460) 3.993 17.246 ( 2.846 -2.762 -0.460) 3.993 19.648 ( 1.050 1.458 -3.955) 4.344 19.648 ( -1.050 1.458 3.955) 4.344 21.470 ( 1.545 -3.552 -1.992) 4.356 21.470 ( -1.545 -3.552 1.992) 4.356 23.107 ( 1.597 0.154 -4.468) 4.747 23.107 ( -1.597 0.154 4.468) 4.747 27.971 ( 8.932 -5.422 -4.958) 11.565 27.971 ( -8.932 -5.422 4.958) 11.565 29.458 ( -3.506 1.060 -4.582) 5.866 29.458 ( 3.506 1.060 4.582) 5.866 29.777 ( -0.244 -2.082 -3.997) 4.513 29.777 ( 0.244 -2.082 3.997) 4.513 30.893 ( 3.360 1.724 -3.797) 5.356 30.893 ( -3.360 1.724 3.797) 5.356 31.481 ( -5.570 10.592 -8.487) 14.671 31.481 ( 5.570 10.592 8.487) 14.671 31.729 ( -1.666 -3.965 -5.417) 6.917 31.729 ( 1.666 -3.965 5.417) 6.917 32.181 ( -3.174 2.874 -1.534) 4.548 32.181 ( 3.174 2.874 1.534) 4.548 32.222 ( -1.593 2.048 -2.863) 3.864 32.222 ( 1.593 2.048 2.863) 3.864 32.443 ( -7.383 6.200 -0.175) 9.642 32.443 ( 7.383 6.200 0.175) 9.642 34.468 ( -0.324 5.603 -6.899) 8.894 34.468 ( 0.324 5.603 6.899) 8.894 35.341 ( -10.359 -7.562 -0.861) 12.854 35.341 ( 10.359 -7.562 0.861) 12.854 35.800 ( -6.025 -0.334 -1.556) 6.232 35.800 ( 6.025 -0.334 1.556) 6.232 37.155 ( -14.688 -22.070 -8.130) 27.730 37.155 ( 14.688 -22.070 8.130) 27.730 ======================= Grid point 186 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 15.159 -0.000 -20.187) 25.245 1.534 ( 4.170 -0.000 20.689) 21.105 1.832 ( 32.382 -0.000 -4.408) 32.681 1.932 ( 1.720 -0.000 6.171) 6.406 2.491 ( 18.953 -0.000 -35.630) 40.358 2.769 ( 15.272 -0.000 11.965) 19.401 2.953 ( 7.797 -0.000 14.110) 16.121 3.010 ( -4.804 0.000 3.167) 5.754 3.048 ( -4.772 0.000 7.394) 8.800 3.245 ( 2.855 -0.000 -3.581) 4.580 3.322 ( 0.247 -0.000 4.223) 4.230 3.385 ( 2.575 -0.000 -8.898) 9.263 3.550 ( 1.986 -0.000 -1.150) 2.295 3.586 ( -1.658 0.000 -9.290) 9.436 3.690 ( 0.138 -0.000 2.524) 2.528 3.899 ( 5.028 -0.000 -2.769) 5.741 3.971 ( -1.563 0.000 11.301) 11.409 4.089 ( 4.695 -0.000 -1.244) 4.857 4.217 ( 0.038 -0.000 -9.427) 9.427 4.303 ( 4.427 -0.000 4.457) 6.283 4.470 ( 3.900 -0.000 2.527) 4.647 4.490 ( -12.321 0.000 13.076) 17.967 4.616 ( 0.149 -0.000 9.586) 9.588 4.714 ( 3.051 -0.000 -6.087) 6.809 4.844 ( 6.501 -0.000 -8.620) 10.796 4.865 ( 2.154 -0.000 -3.292) 3.934 5.268 ( 0.558 -0.000 13.435) 13.447 5.333 ( 1.016 -0.000 0.149) 1.027 5.578 ( 4.819 -0.000 -11.102) 12.102 5.651 ( 0.127 -0.000 3.265) 3.268 5.748 ( -8.023 0.000 -4.565) 9.231 5.784 ( -9.307 0.000 0.090) 9.307 6.168 ( -11.672 0.000 -4.241) 12.418 6.178 ( -15.157 0.000 5.557) 16.144 7.133 ( -4.777 0.000 7.268) 8.697 7.553 ( -2.855 0.000 -3.184) 4.276 7.668 ( 0.552 -0.000 3.523) 3.566 7.706 ( 6.445 -0.000 -4.635) 7.939 7.983 ( -6.014 0.000 -7.119) 9.319 8.130 ( -7.593 0.000 6.731) 10.147 8.292 ( -9.647 0.000 -0.319) 9.652 8.327 ( -7.855 0.000 -1.367) 7.973 8.662 ( -2.950 0.000 -3.230) 4.375 8.731 ( 5.595 -0.000 -3.476) 6.587 8.903 ( -0.957 0.000 0.708) 1.190 8.955 ( 3.362 -0.000 -6.735) 7.528 9.461 ( -7.466 0.000 5.591) 9.328 9.464 ( -4.775 0.000 -2.864) 5.568 9.795 ( -7.474 0.000 -0.454) 7.488 10.000 ( -5.908 0.000 -1.356) 6.062 10.243 ( -0.647 0.000 9.507) 9.529 10.345 ( 4.898 -0.000 -5.639) 7.469 10.765 ( 2.744 -0.000 -1.807) 3.286 10.821 ( 2.596 -0.000 -0.250) 2.608 11.116 ( 8.746 -0.000 -2.170) 9.011 11.345 ( 9.629 -0.000 2.127) 9.861 11.876 ( -6.520 0.000 -0.694) 6.557 11.945 ( -5.460 0.000 -0.003) 5.460 12.756 ( -1.839 0.000 0.103) 1.842 12.788 ( -0.191 0.000 0.260) 0.323 13.097 ( -6.289 0.000 -4.462) 7.712 13.182 ( -7.615 0.000 5.477) 9.380 13.502 ( 0.038 -0.000 -0.753) 0.754 13.669 ( 2.106 -0.000 2.849) 3.543 13.859 ( 2.250 -0.000 0.994) 2.460 14.243 ( -0.383 0.000 -8.367) 8.375 14.506 ( 12.131 -0.000 0.089) 12.132 14.660 ( 10.617 -0.000 2.370) 10.878 14.834 ( -2.763 0.000 5.516) 6.169 14.983 ( -0.046 0.000 -2.396) 2.396 15.458 ( 14.428 -0.000 4.311) 15.058 15.673 ( 10.894 -0.000 15.045) 18.575 15.681 ( 20.559 -0.000 -12.299) 23.957 15.724 ( 13.324 -0.000 -3.892) 13.881 16.377 ( -5.903 0.000 -1.078) 6.001 16.496 ( -5.806 0.000 1.038) 5.898 16.790 ( 2.890 -0.000 2.842) 4.053 16.833 ( -1.100 0.000 0.081) 1.103 16.916 ( -0.771 0.000 -2.933) 3.033 16.988 ( 1.025 -0.000 2.143) 2.376 17.092 ( -3.284 0.000 1.649) 3.675 17.283 ( -9.078 0.000 6.355) 11.081 19.763 ( 6.531 -0.000 2.889) 7.142 19.925 ( 11.873 -0.000 -1.338) 11.948 21.421 ( -7.738 0.000 -1.434) 7.870 21.452 ( -4.897 0.000 1.577) 5.144 22.839 ( -5.788 0.000 -5.869) 8.243 22.882 ( -8.488 0.000 6.321) 10.583 27.832 ( -2.873 0.000 6.661) 7.254 28.426 ( -14.138 0.000 0.156) 14.139 29.388 ( 9.913 -0.000 -1.637) 10.047 29.738 ( 1.977 -0.000 -0.933) 2.186 29.759 ( -0.722 0.000 -0.133) 0.734 29.867 ( 1.946 -0.000 0.613) 2.040 30.865 ( 1.968 -0.000 3.886) 4.356 31.079 ( -0.585 0.000 2.813) 2.873 31.093 ( 0.939 -0.000 -2.492) 2.663 31.139 ( 2.564 -0.000 -2.280) 3.431 31.810 ( -4.205 0.000 4.635) 6.259 31.890 ( -3.380 0.000 -4.496) 5.625 31.973 ( 3.185 -0.000 -2.004) 3.763 31.989 ( 1.430 -0.000 2.909) 3.242 32.274 ( 2.319 -0.000 -1.310) 2.664 32.302 ( 6.690 -0.000 0.426) 6.704 32.670 ( 14.232 -0.000 11.941) 18.578 32.738 ( 8.626 -0.000 -9.283) 12.672 34.295 ( -0.642 0.000 -0.460) 0.790 34.359 ( -2.124 0.000 1.560) 2.635 35.175 ( -9.673 0.000 6.376) 11.585 35.294 ( -15.128 0.000 -12.606) 19.692 35.898 ( 6.850 -0.000 -0.236) 6.854 36.040 ( 13.655 -0.000 8.669) 16.175 37.090 ( -7.578 0.000 -19.945) 21.336 37.463 ( -13.640 0.000 4.095) 14.241 ======================= Grid point 187 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 12.462 -9.423 -15.741) 22.178 1.709 ( 1.516 -10.332 17.594) 20.459 1.968 ( 2.003 -1.200 0.428) 2.374 2.124 ( 27.505 -1.387 -0.082) 27.540 2.531 ( 10.126 1.746 -24.172) 26.266 2.772 ( 1.701 8.747 -1.896) 9.111 2.915 ( -3.088 2.876 17.267) 17.776 3.052 ( 5.084 3.024 3.064) 6.662 3.124 ( -2.381 -5.101 10.682) 12.074 3.280 ( 6.107 -0.184 -3.360) 6.973 3.338 ( 3.998 3.018 -9.226) 10.498 3.380 ( 4.370 -0.362 -3.556) 5.645 3.558 ( -1.316 -1.467 -7.911) 8.153 3.680 ( 4.919 -10.084 7.620) 13.563 3.711 ( -1.395 -2.052 1.659) 2.985 3.964 ( 3.706 -3.838 -2.514) 5.898 4.055 ( 2.654 -5.645 6.557) 9.050 4.124 ( 3.890 -0.289 -0.888) 4.001 4.182 ( -3.630 -2.441 -9.458) 10.421 4.331 ( -6.073 5.322 9.741) 12.653 4.415 ( -3.003 -2.563 9.159) 9.974 4.532 ( 7.529 -0.474 1.249) 7.647 4.657 ( 3.422 -1.818 2.776) 4.767 4.757 ( 1.860 -2.570 -2.465) 4.018 4.835 ( 6.031 3.265 -7.021) 9.815 4.905 ( 0.118 -0.680 -2.342) 2.442 5.241 ( -2.525 5.419 6.899) 9.128 5.362 ( 4.151 -0.737 3.238) 5.316 5.510 ( 1.697 5.255 -7.143) 9.029 5.610 ( -4.442 6.106 -1.833) 7.771 5.705 ( -5.020 -4.559 -0.427) 6.794 5.811 ( -2.878 -4.835 1.172) 5.747 5.954 ( -12.497 2.091 2.104) 12.844 6.174 ( -12.459 -7.827 -0.577) 14.724 7.123 ( -3.697 -0.820 9.010) 9.773 7.497 ( -3.748 0.528 -5.779) 6.909 7.608 ( -0.841 6.775 2.662) 7.328 7.717 ( 0.644 2.190 -3.102) 3.852 7.937 ( -0.450 -0.650 -6.925) 6.970 8.085 ( -7.911 -2.232 3.689) 9.010 8.227 ( -5.281 -1.315 0.474) 5.462 8.286 ( -6.144 -2.449 -1.399) 6.760 8.629 ( -0.024 1.253 -1.760) 2.161 8.775 ( 2.520 -0.400 -1.103) 2.780 8.895 ( 1.736 1.145 1.710) 2.692 8.974 ( 5.196 0.252 -6.983) 8.708 9.349 ( -7.550 4.671 2.359) 9.186 9.408 ( -5.753 1.465 -0.524) 5.959 9.714 ( -6.522 1.278 0.814) 6.696 9.950 ( -7.054 -2.010 -2.772) 7.842 10.231 ( -0.399 3.504 8.573) 9.270 10.392 ( 3.090 -1.768 -4.621) 5.834 10.788 ( 3.946 0.076 -1.226) 4.133 10.860 ( 1.995 -1.590 -0.041) 2.552 11.198 ( 9.024 -0.197 -1.340) 9.125 11.444 ( 7.885 -0.909 1.199) 8.027 11.805 ( -5.193 1.378 0.081) 5.373 11.895 ( -4.109 0.389 -0.196) 4.132 12.694 ( 0.046 4.308 -0.390) 4.326 12.802 ( -0.673 0.252 -0.475) 0.861 13.035 ( -5.036 -0.756 -2.388) 5.624 13.120 ( -9.091 -0.233 4.417) 10.110 13.516 ( 1.118 -1.171 -0.558) 1.712 13.692 ( 0.273 -0.421 3.825) 3.858 13.894 ( 2.982 -0.724 -0.096) 3.070 14.171 ( 1.273 4.703 -7.780) 9.180 14.623 ( 11.441 0.264 -0.462) 11.453 14.721 ( 5.245 2.298 2.268) 6.159 14.834 ( -1.789 -0.314 6.025) 6.293 14.994 ( 3.850 -0.141 -3.160) 4.983 15.596 ( 13.491 1.296 0.214) 13.554 15.742 ( 8.006 4.227 7.750) 11.917 15.765 ( 9.359 3.623 -4.004) 10.805 15.837 ( 10.963 1.202 -3.712) 11.636 16.360 ( -0.777 -3.414 -3.149) 4.709 16.469 ( -4.227 -1.886 1.691) 4.927 16.811 ( 0.744 0.675 0.162) 1.017 16.838 ( -0.839 -1.974 1.029) 2.379 16.915 ( -1.516 -2.096 -1.825) 3.166 17.006 ( 1.530 0.096 2.476) 2.912 17.084 ( -1.215 -0.847 1.419) 2.051 17.190 ( -8.779 2.071 4.473) 10.068 19.829 ( 7.700 1.292 2.805) 8.296 19.985 ( 10.853 4.824 -2.225) 12.084 21.326 ( -8.671 1.136 -2.215) 9.021 21.389 ( -6.518 1.512 2.370) 7.098 22.814 ( -3.913 -4.286 -6.630) 8.811 22.857 ( -7.164 -3.377 7.607) 10.982 27.828 ( -1.673 0.090 5.748) 5.987 28.229 ( -10.524 6.444 -4.633) 13.182 29.445 ( 6.861 1.783 -2.443) 7.498 29.641 ( 0.600 5.988 1.013) 6.103 29.814 ( 0.571 -0.897 1.324) 1.699 29.909 ( 2.938 -1.545 -0.348) 3.338 30.905 ( 4.035 -0.170 2.266) 4.631 31.042 ( 3.297 2.219 -2.785) 4.852 31.119 ( -0.911 -4.149 1.504) 4.506 31.295 ( -3.038 -11.535 0.345) 11.934 31.780 ( -3.194 1.109 2.164) 4.014 31.806 ( -3.891 1.693 -1.240) 4.420 31.966 ( 0.953 2.344 1.706) 3.052 32.052 ( 1.349 -2.492 -1.184) 3.070 32.305 ( 3.882 -1.052 -0.750) 4.092 32.384 ( 7.964 -0.560 0.959) 8.041 32.723 ( 6.952 3.741 -2.464) 8.270 32.868 ( 5.374 -3.668 5.655) 8.620 34.318 ( 0.374 -3.045 -0.722) 3.151 34.373 ( -2.198 -3.668 1.915) 4.685 35.030 ( -8.449 4.642 -0.878) 9.680 35.202 ( -12.699 -4.860 -5.535) 14.681 35.957 ( 9.511 2.008 -1.048) 9.777 36.179 ( 10.171 1.011 9.390) 13.880 36.787 ( -1.027 19.756 -14.764) 24.685 37.371 ( -12.547 -0.271 1.866) 12.688 ======================= Grid point 188 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 7.558 -13.134 -9.558) 17.916 1.953 ( -2.347 -11.953 9.774) 15.618 2.030 ( 5.746 -4.500 -2.475) 7.706 2.330 ( 12.765 3.617 4.025) 13.865 2.521 ( 8.866 5.270 0.172) 10.315 2.680 ( 4.345 -0.447 -10.970) 11.808 2.885 ( -4.005 0.278 4.798) 6.256 3.057 ( 7.199 5.263 9.004) 12.673 3.135 ( -7.737 -0.166 2.227) 8.053 3.231 ( 5.873 7.315 -7.830) 12.219 3.397 ( 4.509 -5.730 -3.393) 8.042 3.425 ( 6.516 0.963 -2.385) 7.005 3.572 ( -0.661 -3.673 -6.190) 7.228 3.712 ( -5.331 -0.810 1.214) 5.528 3.876 ( 1.941 -3.649 4.543) 6.142 4.024 ( -5.234 2.832 0.861) 6.013 4.144 ( -4.359 -7.014 4.921) 9.613 4.178 ( -3.187 -2.793 -2.588) 4.966 4.237 ( 6.424 -5.358 5.453) 9.986 4.288 ( 2.975 -5.777 0.140) 6.499 4.477 ( -1.818 -4.991 3.100) 6.150 4.601 ( 4.161 -0.151 -2.883) 5.065 4.743 ( 3.247 3.943 4.923) 7.094 4.780 ( 6.189 -4.476 -6.884) 10.282 4.814 ( -1.146 7.274 -0.623) 7.390 4.881 ( 1.580 -3.248 -1.320) 3.846 5.161 ( -0.626 2.263 3.754) 4.428 5.373 ( -0.042 6.632 -2.761) 7.184 5.441 ( 1.350 6.312 1.475) 6.621 5.510 ( 5.170 -1.066 -0.084) 5.280 5.724 ( -3.508 -0.436 -3.995) 5.335 5.757 ( -8.697 -4.219 0.705) 9.692 5.952 ( -3.357 -2.578 5.327) 6.804 6.175 ( -12.011 -6.134 -1.754) 13.600 7.145 ( -0.814 -1.770 7.503) 7.752 7.454 ( -2.810 -0.783 -7.363) 7.920 7.498 ( -1.468 4.429 4.398) 6.412 7.666 ( -2.951 0.250 -1.743) 3.437 7.919 ( 3.546 3.308 -4.925) 6.911 8.049 ( -4.027 1.990 2.858) 5.324 8.235 ( -3.196 -4.194 -0.529) 5.300 8.288 ( -6.278 -5.421 -1.633) 8.454 8.610 ( 2.360 1.917 -0.945) 3.184 8.770 ( -1.147 1.576 1.363) 2.378 8.913 ( 2.951 0.480 1.457) 3.325 8.998 ( 5.809 1.360 -6.079) 8.518 9.193 ( -7.949 5.677 2.674) 10.127 9.313 ( -4.853 2.965 -2.004) 6.030 9.660 ( -3.895 -0.753 2.640) 4.765 9.916 ( -6.192 -2.739 -4.471) 8.113 10.187 ( 0.865 4.255 7.899) 9.014 10.411 ( -0.298 -0.257 -4.359) 4.377 10.833 ( 4.198 -0.825 0.351) 4.293 10.903 ( 1.803 -1.215 -0.516) 2.234 11.270 ( 7.895 1.333 -0.528) 8.024 11.507 ( 3.955 1.018 0.558) 4.122 11.749 ( -3.023 0.655 1.026) 3.259 11.858 ( -3.068 -0.448 -0.962) 3.246 12.634 ( 2.194 3.748 -0.972) 4.450 12.768 ( -0.409 1.999 -0.248) 2.055 13.011 ( -4.629 -1.230 0.307) 4.799 13.049 ( -8.463 -0.881 1.238) 8.598 13.552 ( 1.451 -1.566 -0.367) 2.166 13.707 ( -1.429 -0.570 3.360) 3.695 13.927 ( 3.568 0.524 -0.654) 3.666 14.102 ( 2.982 3.374 -5.419) 7.046 14.682 ( 3.808 1.910 1.538) 4.529 14.744 ( 9.205 2.260 0.197) 9.480 14.831 ( -2.240 0.301 6.341) 6.732 15.028 ( 6.337 1.294 -4.575) 7.922 15.651 ( 10.979 5.820 -2.206) 12.621 15.718 ( 3.178 5.835 1.008) 6.720 15.734 ( 0.039 4.621 2.377) 5.196 15.891 ( 6.681 1.784 -1.853) 7.159 16.448 ( 4.433 -5.149 -6.287) 9.256 16.489 ( -1.782 -3.641 4.184) 5.826 16.791 ( 0.035 1.602 -2.134) 2.669 16.878 ( -0.831 -2.969 1.642) 3.493 16.936 ( -2.493 -2.753 -0.485) 3.746 17.011 ( -0.854 1.432 1.003) 1.946 17.089 ( -1.832 -0.032 -0.016) 1.832 17.112 ( -3.463 -0.354 4.531) 5.713 19.874 ( 7.174 3.033 2.404) 8.151 19.974 ( 7.609 5.946 -2.466) 9.967 21.223 ( -6.810 1.011 -2.821) 7.441 21.306 ( -7.058 1.135 3.036) 7.767 22.857 ( -1.320 -5.956 -7.656) 9.789 22.890 ( -5.857 -5.038 8.382) 11.399 27.830 ( -0.637 0.082 4.214) 4.263 28.036 ( -5.393 5.671 -4.714) 9.136 29.460 ( 3.975 1.347 -2.285) 4.778 29.582 ( 0.721 2.346 1.416) 2.834 29.816 ( 2.175 2.235 0.448) 3.150 29.945 ( 0.816 -0.144 0.286) 0.876 30.952 ( 4.319 0.220 1.407) 4.548 31.045 ( 2.776 0.683 -2.381) 3.721 31.198 ( 0.032 -5.750 -0.691) 5.792 31.431 ( -5.897 -9.540 2.124) 11.415 31.720 ( 0.068 2.872 -0.699) 2.957 31.788 ( -4.360 -2.629 0.794) 5.153 31.941 ( 1.184 2.451 4.353) 5.134 32.079 ( 0.154 -1.357 -3.654) 3.901 32.366 ( 4.179 -1.157 0.203) 4.341 32.457 ( 6.455 0.843 1.486) 6.677 32.705 ( 3.988 3.409 -3.666) 6.401 32.939 ( -0.996 -0.547 5.277) 5.398 34.397 ( 1.774 -5.832 -2.035) 6.426 34.447 ( -2.368 -6.814 3.140) 7.868 34.904 ( -4.371 2.692 -2.399) 5.666 35.136 ( -12.765 -2.655 -2.314) 13.242 36.001 ( 10.004 3.401 -1.846) 10.726 36.199 ( 2.429 9.276 8.134) 12.574 36.480 ( 10.348 14.767 -9.027) 20.165 37.224 ( -12.537 3.835 0.733) 13.131 ======================= Grid point 189 (87/95) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -0.367 -4.035 -3.984) 5.682 2.058 ( -0.244 -2.275 -1.478) 2.724 2.188 ( 3.716 -4.307 -0.190) 5.692 2.365 ( 6.783 -0.377 -0.952) 6.860 2.544 ( 7.414 0.242 12.101) 14.193 2.729 ( 10.307 5.755 -0.333) 11.810 2.860 ( -4.151 2.234 -2.020) 5.129 3.021 ( -1.496 -2.294 2.565) 3.752 3.134 ( 1.879 4.378 -5.917) 7.597 3.177 ( 1.272 -5.315 0.809) 5.524 3.457 ( 5.963 1.800 -1.931) 6.522 3.525 ( 2.960 -4.174 -2.147) 5.549 3.618 ( 0.098 -2.714 -2.842) 3.931 3.662 ( -6.380 -2.174 1.426) 6.890 3.869 ( -2.563 7.368 4.883) 9.203 3.898 ( -2.313 1.513 0.965) 2.928 4.124 ( -8.430 0.519 -1.508) 8.579 4.198 ( -10.333 -1.539 -4.129) 11.233 4.354 ( 2.815 -2.337 7.187) 8.064 4.459 ( 3.904 -9.372 -4.044) 10.928 4.528 ( -4.055 -0.215 1.864) 4.468 4.595 ( -0.801 1.344 -5.546) 5.762 4.715 ( 3.482 2.432 1.019) 4.368 4.742 ( 1.498 0.223 7.122) 7.281 4.861 ( 3.493 0.514 -2.759) 4.481 4.957 ( 0.512 -1.634 -1.825) 2.503 5.198 ( 8.229 -2.823 1.893) 8.903 5.277 ( 4.305 4.503 1.135) 6.332 5.359 ( 3.324 3.511 -1.816) 5.165 5.609 ( 1.698 -2.042 1.337) 2.973 5.703 ( -2.234 -4.350 -1.104) 5.013 5.771 ( -2.622 -1.434 0.320) 3.006 5.947 ( -2.737 -0.153 2.068) 3.434 6.147 ( -12.173 -5.729 -1.916) 13.589 7.200 ( 2.599 -1.399 3.610) 4.663 7.386 ( -4.857 1.458 0.270) 5.079 7.528 ( 4.192 -4.722 -3.848) 7.394 7.671 ( -2.917 -3.712 2.583) 5.382 7.860 ( 3.391 6.358 -1.492) 7.359 7.964 ( -2.758 4.213 0.607) 5.072 8.292 ( -1.974 -5.856 -2.654) 6.726 8.324 ( -4.843 -5.348 -0.099) 7.216 8.604 ( 3.676 2.099 -0.693) 4.289 8.725 ( -1.969 2.433 2.638) 4.093 8.907 ( -0.450 3.053 -1.142) 3.290 8.973 ( 0.013 5.554 -1.787) 5.835 9.080 ( -1.258 0.282 2.411) 2.734 9.237 ( -3.236 -0.096 -3.063) 4.457 9.693 ( 0.942 -3.779 3.600) 5.304 9.901 ( -4.895 -3.351 -4.600) 7.506 10.170 ( 3.644 2.602 6.537) 7.924 10.380 ( -2.859 0.317 -4.063) 4.979 10.885 ( 2.383 -0.846 2.483) 3.544 10.919 ( 1.797 1.032 -2.289) 3.088 11.288 ( 6.031 4.333 -0.265) 7.431 11.480 ( -1.378 3.881 0.727) 4.182 11.737 ( -0.774 -1.003 1.443) 1.920 11.844 ( -2.822 -1.312 -1.568) 3.484 12.613 ( 4.882 2.187 -1.777) 5.636 12.750 ( 0.672 0.654 1.553) 1.814 12.971 ( -7.066 -1.707 1.205) 7.368 13.017 ( -4.582 -1.937 -1.400) 5.168 13.588 ( 1.776 -1.060 -0.491) 2.126 13.697 ( -2.718 0.217 1.624) 3.174 13.946 ( 4.807 1.446 0.455) 5.040 14.080 ( 1.871 1.237 -3.241) 3.941 14.680 ( 4.001 2.240 0.756) 4.647 14.796 ( 7.273 1.751 0.545) 7.500 14.829 ( 0.053 0.568 6.503) 6.528 15.025 ( 4.140 3.423 -5.763) 7.879 15.576 ( -0.264 8.004 -1.246) 8.105 15.627 ( -3.466 6.249 0.183) 7.149 15.676 ( 6.379 6.070 1.750) 8.977 15.867 ( -0.147 4.609 -1.072) 4.734 16.530 ( 3.172 -3.180 -1.776) 4.830 16.597 ( 2.234 -6.025 1.334) 6.563 16.749 ( 0.403 2.791 -2.655) 3.873 16.921 ( -0.046 -1.881 0.419) 1.927 16.923 ( -7.144 0.273 -0.203) 7.152 16.966 ( -2.104 0.067 2.397) 3.190 17.090 ( 1.308 -0.773 -1.237) 1.959 17.128 ( -1.067 -1.663 2.423) 3.126 19.868 ( 4.549 5.041 1.429) 6.938 19.922 ( 3.019 5.659 -1.512) 6.590 21.172 ( -2.217 -1.536 -2.606) 3.751 21.254 ( -5.680 -1.366 2.768) 6.465 22.930 ( 0.992 -5.550 -8.280) 10.018 22.950 ( -4.514 -5.024 8.522) 10.874 27.836 ( 0.054 -0.045 2.608) 2.609 27.917 ( -2.378 3.192 -2.934) 4.945 29.473 ( 2.949 0.442 0.214) 2.989 29.572 ( -0.386 -0.163 -0.035) 0.420 29.791 ( 3.136 3.555 -0.969) 4.838 29.920 ( -2.244 2.504 0.652) 3.425 30.981 ( 2.884 0.838 1.577) 3.392 31.043 ( 1.233 1.308 -2.057) 2.732 31.310 ( 3.156 -6.496 -2.527) 7.652 31.513 ( -6.847 -6.928 3.274) 10.276 31.692 ( 1.738 1.900 0.586) 2.641 31.790 ( -2.939 -1.431 -1.970) 3.817 31.956 ( 2.528 -0.784 7.099) 7.576 32.098 ( 0.367 -2.641 -6.386) 6.920 32.405 ( 2.864 0.897 0.684) 3.078 32.472 ( 2.172 2.908 1.581) 3.959 32.675 ( 4.288 3.667 -2.326) 6.103 32.906 ( -5.380 1.916 2.594) 6.272 34.532 ( 3.284 -8.472 -2.916) 9.542 34.563 ( -1.737 -7.912 4.342) 9.190 34.840 ( -1.557 0.932 -3.230) 3.705 35.034 ( -12.487 0.087 0.352) 12.493 36.003 ( 7.474 9.945 -5.869) 13.755 36.023 ( 2.115 8.369 6.446) 10.773 36.429 ( 14.242 6.756 -1.601) 15.844 37.032 ( -14.246 3.752 0.283) 14.735 ======================= Grid point 190 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -3.195 7.912 3.542) 9.239 1.953 ( -3.307 8.898 -5.909) 11.182 2.323 ( 8.890 -2.986 -3.949) 10.176 2.411 ( 1.179 -1.152 0.715) 1.797 2.564 ( 5.144 10.693 1.984) 12.031 2.650 ( -1.408 11.673 6.058) 13.227 2.887 ( 6.095 -8.179 2.361) 10.470 3.027 ( -3.559 -0.582 -4.681) 5.909 3.189 ( 2.962 -8.162 4.307) 9.692 3.284 ( -2.440 -6.404 -3.448) 7.671 3.447 ( 4.104 4.578 -3.608) 7.129 3.477 ( -2.656 7.584 7.309) 10.862 3.629 ( 3.261 2.959 -3.965) 5.926 3.722 ( -7.064 -0.081 2.042) 7.354 3.805 ( 3.133 -2.146 -8.071) 8.920 3.817 ( -3.245 0.232 7.240) 7.937 4.022 ( -5.191 0.013 1.414) 5.380 4.094 ( -9.401 -0.330 -4.904) 10.608 4.400 ( 2.692 1.788 3.522) 4.780 4.482 ( -3.885 3.294 -2.789) 5.807 4.542 ( 1.013 0.382 1.292) 1.686 4.567 ( 0.389 -1.055 -4.007) 4.162 4.710 ( 3.355 1.731 -3.054) 4.855 4.756 ( -4.008 0.297 5.150) 6.532 4.878 ( 2.497 -1.089 3.985) 4.827 4.940 ( -1.249 -0.528 -3.469) 3.725 5.223 ( 9.203 6.224 -3.344) 11.602 5.341 ( -3.483 1.858 3.415) 5.219 5.434 ( 10.589 -4.330 1.816) 11.583 5.604 ( -6.414 -2.579 -1.584) 7.092 5.776 ( 2.663 -4.000 2.979) 5.654 5.827 ( 4.170 -4.434 0.337) 6.096 5.961 ( 2.474 -3.624 -2.965) 5.295 6.137 ( -12.570 -7.233 0.100) 14.503 7.254 ( 3.409 -0.888 2.130) 4.117 7.337 ( -4.025 -0.583 -1.495) 4.334 7.648 ( 4.947 -2.196 -3.805) 6.616 7.697 ( -2.306 0.769 3.429) 4.203 7.810 ( 4.339 0.859 1.855) 4.796 7.905 ( -3.830 -2.555 -1.313) 4.788 8.366 ( -0.882 -5.436 -0.320) 5.516 8.380 ( -1.814 -5.289 -0.384) 5.605 8.604 ( 4.110 1.888 -0.281) 4.531 8.675 ( -2.498 1.461 0.923) 3.037 8.812 ( -1.841 5.522 0.540) 5.846 8.844 ( -3.590 5.666 -1.475) 6.868 9.152 ( 4.130 -4.493 1.965) 6.411 9.238 ( -3.028 -4.070 -2.737) 5.764 9.806 ( 4.524 -4.927 2.455) 7.125 9.910 ( -4.493 -4.225 -2.169) 6.538 10.208 ( 6.109 0.287 3.699) 7.148 10.333 ( -4.691 -0.279 -3.025) 5.589 10.892 ( 1.540 2.695 -0.392) 3.128 10.910 ( -0.094 0.388 0.741) 0.842 11.246 ( 5.617 6.634 -0.594) 8.713 11.365 ( -6.226 5.551 0.676) 8.369 11.778 ( 1.974 -2.648 1.593) 3.667 11.839 ( -2.671 -2.064 -1.699) 3.779 12.641 ( 6.729 0.601 -2.321) 7.144 12.742 ( -3.841 -0.094 2.864) 4.792 12.977 ( -1.647 -4.001 -0.094) 4.328 13.013 ( -3.713 -3.165 -0.897) 4.961 13.616 ( 2.322 -0.097 -0.281) 2.341 13.666 ( -2.582 0.488 -0.056) 2.629 13.977 ( 5.148 1.206 2.724) 5.947 14.060 ( -0.889 0.955 -2.977) 3.251 14.699 ( 8.275 2.550 -0.383) 8.667 14.812 ( 1.325 1.995 1.111) 2.640 14.852 ( 2.209 0.221 5.868) 6.274 14.964 ( -0.268 3.881 -5.907) 7.073 15.401 ( -3.727 10.346 0.946) 11.037 15.453 ( -6.548 8.959 -0.953) 11.138 15.631 ( 6.128 6.826 0.147) 9.174 15.743 ( -5.098 6.516 -0.061) 8.274 16.608 ( 3.173 -1.830 2.782) 4.599 16.679 ( -2.170 -0.748 -3.352) 4.063 16.727 ( 5.752 -0.851 -0.776) 5.867 16.843 ( -6.838 0.334 0.432) 6.860 16.937 ( -0.045 0.210 0.998) 1.021 16.953 ( -1.405 0.290 -0.218) 1.451 17.125 ( 1.789 -1.911 -0.977) 2.794 17.151 ( -1.335 -1.879 1.115) 2.561 19.810 ( 2.263 5.557 0.010) 6.000 19.839 ( -0.719 5.226 -0.051) 5.275 21.217 ( 1.874 -4.391 -2.109) 5.219 21.263 ( -3.648 -3.980 2.234) 5.843 23.005 ( 2.434 -4.254 -8.218) 9.569 23.014 ( -3.277 -4.116 8.180) 9.726 27.847 ( 0.040 -0.442 1.589) 1.650 27.863 ( -0.687 0.883 -1.639) 1.985 29.503 ( 2.759 0.021 2.469) 3.703 29.563 ( -1.890 0.052 -1.705) 2.546 29.760 ( 3.948 3.393 -1.604) 5.448 29.838 ( -4.342 3.263 0.722) 5.479 30.987 ( 1.530 1.562 1.651) 2.740 31.015 ( -0.270 1.871 -1.680) 2.529 31.447 ( 5.325 -5.692 -2.104) 8.074 31.557 ( -6.950 -5.388 2.614) 9.174 31.685 ( 4.196 2.458 0.694) 4.912 31.764 ( -3.285 0.465 -1.340) 3.578 32.048 ( 4.001 -3.667 6.505) 8.472 32.136 ( -0.336 -3.959 -7.393) 8.393 32.391 ( 1.162 3.140 0.430) 3.376 32.418 ( -1.235 4.096 0.883) 4.368 32.654 ( 6.423 4.555 -0.816) 7.916 32.798 ( -8.198 3.719 0.946) 9.051 34.671 ( 2.011 -2.187 5.278) 6.057 34.725 ( 3.214 -11.091 -0.590) 11.562 34.807 ( 0.967 1.771 -10.731) 10.920 34.932 ( -12.467 -3.786 6.004) 14.345 35.867 ( 6.477 9.021 -0.583) 11.120 35.955 ( -2.670 4.894 1.108) 5.683 36.499 ( 18.821 2.588 -0.782) 19.014 36.849 ( -17.152 0.172 0.155) 17.154 ======================= Grid point 191 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.459 12.830 -9.192) 15.790 1.729 ( -0.459 12.830 9.192) 15.790 2.309 ( 1.148 14.208 -6.538) 15.683 2.309 ( -1.148 14.208 6.538) 15.683 2.495 ( 6.545 1.143 -12.647) 14.286 2.495 ( -6.545 1.143 12.647) 14.286 3.031 ( 1.799 -2.425 -4.377) 5.317 3.031 ( -1.799 -2.425 4.377) 5.317 3.251 ( -0.692 7.785 -9.885) 12.602 3.251 ( 0.692 7.785 9.885) 12.602 3.422 ( 0.247 -1.140 -6.879) 6.978 3.422 ( -0.247 -1.140 6.879) 6.978 3.562 ( 0.536 4.052 -4.319) 5.946 3.562 ( -0.536 4.052 4.319) 5.946 3.899 ( 2.127 -5.144 -8.948) 10.538 3.899 ( -2.127 -5.144 8.948) 10.538 4.040 ( -0.488 -1.513 -6.653) 6.840 4.040 ( 0.488 -1.513 6.653) 6.840 4.355 ( 2.337 5.922 -3.297) 7.170 4.355 ( -2.337 5.922 3.297) 7.170 4.586 ( 0.183 -2.513 -4.090) 4.804 4.586 ( -0.183 -2.513 4.090) 4.804 4.689 ( 4.671 3.310 -5.050) 7.634 4.689 ( -4.671 3.310 5.050) 7.634 4.960 ( 0.618 -4.138 -7.491) 8.580 4.960 ( -0.618 -4.138 7.491) 8.580 5.187 ( -5.643 7.927 -2.417) 10.026 5.187 ( 5.643 7.927 2.417) 10.026 5.571 ( -3.652 -2.128 -10.098) 10.947 5.571 ( 3.652 -2.128 10.098) 10.947 5.907 ( -1.037 -4.650 -3.471) 5.895 5.907 ( 1.037 -4.650 3.471) 5.895 6.143 ( -6.153 -8.224 -2.160) 10.496 6.143 ( 6.153 -8.224 2.160) 10.496 7.310 ( -2.761 -0.898 -4.043) 4.977 7.310 ( 2.761 -0.898 4.043) 4.977 7.633 ( 1.870 3.550 -3.084) 5.061 7.633 ( -1.870 3.550 3.084) 5.061 7.944 ( -6.457 -6.458 -1.366) 9.234 7.944 ( 6.457 -6.458 1.366) 9.234 8.458 ( -0.108 -5.734 -1.362) 5.894 8.458 ( 0.108 -5.734 1.362) 5.894 8.636 ( -4.236 -0.652 -1.365) 4.498 8.636 ( 4.236 -0.652 1.365) 4.498 8.733 ( -0.190 3.376 -3.664) 4.986 8.733 ( 0.190 3.376 3.664) 4.986 9.283 ( -1.137 -5.627 -4.756) 7.454 9.283 ( 1.137 -5.627 4.756) 7.454 9.935 ( -3.265 -4.345 -1.432) 5.620 9.935 ( 3.265 -4.345 1.432) 5.620 10.281 ( -3.173 -0.502 -3.899) 5.052 10.281 ( 3.173 -0.502 3.899) 5.052 10.873 ( 1.832 2.050 -3.547) 4.488 10.873 ( -1.832 2.050 3.547) 4.488 11.197 ( -7.833 6.291 0.121) 10.047 11.197 ( 7.833 6.291 -0.121) 10.047 11.859 ( -2.230 -3.783 -1.413) 4.614 11.859 ( 2.230 -3.783 1.413) 4.614 12.704 ( -6.832 -1.235 2.037) 7.235 12.704 ( 6.832 -1.235 -2.037) 7.235 13.055 ( 0.523 -4.946 -5.051) 7.089 13.055 ( -0.523 -4.946 5.051) 7.089 13.632 ( -2.270 0.903 -0.936) 2.616 13.632 ( 2.270 0.903 0.936) 2.616 14.010 ( -1.860 1.317 -5.272) 5.744 14.010 ( 1.860 1.317 5.272) 5.744 14.725 ( -4.692 5.970 -2.749) 8.075 14.725 ( 4.692 5.970 2.749) 8.075 14.890 ( -1.548 -0.513 -4.658) 4.935 14.890 ( 1.548 -0.513 4.658) 4.935 15.223 ( -4.626 10.230 -3.953) 11.903 15.223 ( 4.626 10.230 3.953) 11.903 15.576 ( -5.821 6.570 0.348) 8.784 15.576 ( 5.821 6.570 -0.348) 8.784 16.642 ( 0.015 1.347 -6.290) 6.433 16.642 ( -0.015 1.347 6.290) 6.433 16.798 ( -3.652 -0.762 0.283) 3.742 16.798 ( 3.652 -0.762 -0.283) 3.742 16.935 ( -0.483 0.055 -3.081) 3.119 16.935 ( 0.483 0.055 3.081) 3.119 17.172 ( 0.820 -1.987 -1.337) 2.531 17.172 ( -0.820 -1.987 1.337) 2.531 19.745 ( 1.291 4.356 -4.392) 6.319 19.745 ( -1.291 4.356 4.392) 6.319 21.318 ( 1.779 -5.164 -2.961) 6.213 21.318 ( -1.779 -5.164 2.961) 6.213 23.066 ( 2.629 -2.753 -7.321) 8.252 23.066 ( -2.629 -2.753 7.321) 8.252 27.862 ( 1.899 -1.284 -2.829) 3.641 27.862 ( -1.899 -1.284 2.829) 3.641 29.523 ( -1.287 1.560 -4.626) 5.048 29.523 ( 1.287 1.560 4.626) 5.048 29.756 ( -1.228 1.320 -1.381) 2.271 29.756 ( 1.228 1.320 1.381) 2.271 30.970 ( 0.377 2.279 -2.078) 3.107 30.970 ( -0.377 2.279 2.078) 3.107 31.578 ( -2.003 -4.042 -4.366) 6.278 31.578 ( 2.003 -4.042 4.366) 6.278 31.696 ( -3.924 2.491 -5.174) 6.955 31.696 ( 3.924 2.491 5.174) 6.955 32.163 ( -3.464 -3.067 -5.084) 6.874 32.163 ( 3.464 -3.067 5.084) 6.874 32.339 ( 0.857 3.922 -1.320) 4.226 32.339 ( -0.857 3.922 1.320) 4.226 32.642 ( -2.379 5.323 -3.975) 7.056 32.642 ( 2.379 5.323 3.975) 7.056 34.680 ( -1.108 5.740 -11.203) 12.637 34.680 ( 1.108 5.740 11.203) 12.637 34.991 ( 0.116 -12.125 -7.104) 14.054 34.991 ( -0.116 -12.125 7.104) 14.054 35.830 ( -0.762 3.533 -5.108) 6.257 35.830 ( 0.762 3.533 5.108) 6.257 36.707 ( -20.609 -4.979 -0.307) 21.204 36.707 ( 20.609 -4.979 0.307) 21.204 ======================= Grid point 197 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 13.299 -0.000 -15.676) 20.557 1.684 ( 0.362 -0.000 18.644) 18.647 1.990 ( 2.747 -0.000 2.898) 3.993 2.336 ( 21.127 -0.000 -1.672) 21.193 2.515 ( 0.967 -0.000 -25.343) 25.361 2.867 ( -2.458 0.000 1.165) 2.721 2.962 ( -2.053 0.000 2.935) 3.582 3.022 ( -6.165 0.000 15.339) 16.531 3.144 ( 0.717 -0.000 11.892) 11.914 3.339 ( 9.172 -0.000 -8.547) 12.537 3.373 ( 2.905 -0.000 -10.619) 11.010 3.427 ( 8.839 -0.000 -2.173) 9.102 3.551 ( 3.320 -0.000 -6.700) 7.478 3.664 ( -1.861 0.000 1.355) 2.302 3.682 ( 3.830 -0.000 14.892) 15.377 3.953 ( 3.401 -0.000 -3.767) 5.075 4.074 ( 7.639 -0.000 6.934) 10.317 4.083 ( -5.359 0.000 -12.748) 13.829 4.136 ( 2.168 -0.000 -1.582) 2.684 4.282 ( -15.888 0.000 16.209) 22.698 4.480 ( 7.481 -0.000 3.386) 8.211 4.614 ( 9.597 -0.000 -0.081) 9.597 4.690 ( 2.182 -0.000 6.984) 7.316 4.709 ( 0.171 -0.000 -9.040) 9.042 4.912 ( 6.496 -0.000 -9.719) 11.690 4.930 ( 5.349 -0.000 1.863) 5.664 5.277 ( -6.635 0.000 8.141) 10.503 5.396 ( 3.967 -0.000 0.702) 4.029 5.572 ( -2.676 0.000 -5.258) 5.900 5.580 ( -3.874 0.000 1.166) 4.045 5.682 ( -0.870 0.000 1.939) 2.125 5.711 ( 1.577 -0.000 -2.353) 2.832 5.908 ( -13.535 0.000 2.089) 13.696 5.931 ( -10.139 0.000 -1.617) 10.267 7.110 ( -3.730 0.000 12.142) 12.702 7.421 ( -6.707 0.000 -9.953) 12.002 7.695 ( -0.105 0.000 3.575) 3.576 7.741 ( 0.544 -0.000 -4.505) 4.538 7.863 ( -3.759 0.000 -3.604) 5.208 7.954 ( -9.435 0.000 -2.988) 9.897 8.190 ( -0.678 0.000 0.037) 0.679 8.252 ( -1.571 0.000 2.046) 2.579 8.646 ( 1.199 -0.000 2.298) 2.592 8.794 ( 1.701 -0.000 -2.809) 3.284 8.936 ( 4.173 -0.000 1.613) 4.475 9.005 ( 5.530 -0.000 -6.150) 8.270 9.334 ( -8.636 0.000 4.365) 9.676 9.354 ( -5.080 0.000 -2.671) 5.740 9.675 ( -5.289 0.000 1.284) 5.443 9.843 ( -8.652 0.000 -3.403) 9.297 10.283 ( -1.209 0.000 10.676) 10.744 10.390 ( 3.293 -0.000 -7.484) 8.176 10.821 ( 3.368 -0.000 0.220) 3.375 10.864 ( 2.111 -0.000 -1.281) 2.469 11.286 ( 10.124 -0.000 -0.231) 10.127 11.515 ( 7.516 -0.000 0.621) 7.541 11.767 ( -5.266 0.000 0.049) 5.266 11.856 ( -4.376 0.000 -0.207) 4.381 12.736 ( 0.821 -0.000 -3.905) 3.990 12.807 ( 1.321 -0.000 1.592) 2.069 12.974 ( -4.564 0.000 -1.643) 4.851 13.040 ( -10.327 0.000 5.399) 11.653 13.521 ( 2.479 -0.000 -1.250) 2.776 13.685 ( -2.921 0.000 5.252) 6.009 13.927 ( 5.332 -0.000 -1.116) 5.447 14.186 ( -0.526 0.000 -8.425) 8.442 14.704 ( 4.284 -0.000 1.239) 4.459 14.764 ( -0.252 0.000 0.614) 0.664 14.872 ( 6.546 -0.000 5.687) 8.672 15.044 ( 7.536 -0.000 -2.602) 7.973 15.739 ( 14.021 -0.000 0.037) 14.021 15.828 ( -0.039 0.000 7.697) 7.697 15.861 ( 4.836 -0.000 -1.828) 5.170 15.949 ( 9.533 -0.000 -6.375) 11.468 16.323 ( 3.408 -0.000 -5.818) 6.743 16.418 ( -3.966 0.000 4.054) 5.671 16.794 ( -2.930 0.000 1.231) 3.178 16.829 ( -0.204 0.000 1.414) 1.429 16.878 ( 0.021 -0.000 -5.139) 5.139 17.028 ( 0.790 -0.000 3.579) 3.665 17.079 ( 0.588 -0.000 0.252) 0.639 17.133 ( -9.224 0.000 5.357) 10.667 19.929 ( 9.044 -0.000 2.850) 9.483 20.126 ( 9.440 -0.000 -1.799) 9.610 21.244 ( -8.579 0.000 -2.507) 8.938 21.338 ( -8.223 0.000 2.272) 8.531 22.729 ( -1.840 0.000 -6.780) 7.026 22.783 ( -6.484 0.000 7.884) 10.208 27.833 ( -0.949 0.000 5.899) 5.975 28.156 ( -10.871 0.000 -6.278) 12.554 29.515 ( 4.575 -0.000 -0.985) 4.680 29.719 ( -2.863 0.000 0.444) 2.897 29.794 ( 3.482 -0.000 1.419) 3.760 29.916 ( 1.721 -0.000 0.333) 1.753 30.958 ( 6.129 -0.000 1.133) 6.233 31.085 ( -0.546 0.000 2.842) 2.894 31.095 ( 0.844 -0.000 -2.678) 2.807 31.170 ( 1.794 -0.000 -1.542) 2.366 31.737 ( -5.782 0.000 4.785) 7.505 31.780 ( -4.887 0.000 -3.675) 6.114 32.027 ( 0.596 -0.000 2.880) 2.941 32.035 ( 3.588 -0.000 -2.724) 4.505 32.333 ( 4.973 -0.000 -0.270) 4.980 32.468 ( 8.976 -0.000 1.614) 9.120 32.786 ( 2.704 -0.000 -9.388) 9.769 32.900 ( 2.402 -0.000 11.720) 11.963 34.296 ( 0.314 -0.000 0.910) 0.963 34.329 ( -1.353 0.000 0.214) 1.370 35.005 ( -6.685 0.000 -13.853) 15.382 35.027 ( -9.918 0.000 8.351) 12.966 36.067 ( 10.800 -0.000 -1.082) 10.854 36.309 ( 8.292 -0.000 9.515) 12.621 36.905 ( -0.910 0.000 -17.927) 17.950 37.237 ( -13.219 0.000 6.168) 14.587 ======================= Grid point 198 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 11.251 -7.257 -13.436) 18.968 1.795 ( -2.625 -7.513 15.812) 17.702 2.039 ( 5.760 -1.269 1.061) 5.993 2.405 ( -7.783 0.544 0.755) 7.839 2.574 ( 18.287 -5.640 -18.512) 26.625 2.790 ( 2.039 7.181 -2.199) 7.782 2.885 ( -4.617 2.265 11.996) 13.052 3.051 ( -7.205 -2.096 3.624) 8.333 3.179 ( 1.230 0.733 11.887) 11.973 3.352 ( 2.560 1.159 -11.148) 11.497 3.390 ( 7.479 1.240 -6.025) 9.683 3.507 ( 6.440 -0.645 -3.695) 7.453 3.534 ( 2.844 2.848 -3.459) 5.307 3.627 ( -7.344 -1.672 0.942) 7.591 3.836 ( 2.945 -4.660 12.218) 13.404 4.001 ( 1.165 -3.570 -1.567) 4.069 4.012 ( -1.905 -1.460 -9.329) 9.633 4.137 ( -6.826 0.329 9.286) 11.530 4.210 ( -0.347 -4.209 5.432) 6.880 4.260 ( 8.841 -3.384 3.518) 10.099 4.476 ( 0.650 3.419 -0.036) 3.481 4.639 ( 1.153 2.610 -6.303) 6.919 4.744 ( 7.571 -4.465 -4.201) 9.742 4.786 ( 1.510 -3.351 3.964) 5.406 4.915 ( 2.089 5.185 -1.234) 5.725 4.934 ( 5.530 3.607 -1.354) 6.740 5.201 ( -2.120 2.757 3.391) 4.857 5.448 ( -3.771 4.322 -0.667) 5.774 5.479 ( 3.351 -2.995 -1.268) 4.670 5.590 ( 0.930 5.915 1.574) 6.191 5.606 ( -7.084 -4.176 1.865) 8.432 5.700 ( -2.834 2.769 -3.370) 5.202 5.866 ( -1.761 -5.625 2.620) 6.450 5.953 ( -8.569 -7.479 -0.817) 11.403 7.130 ( -1.720 -1.840 12.220) 12.477 7.354 ( -5.343 -2.963 -11.438) 12.968 7.599 ( -1.648 7.630 4.432) 8.976 7.672 ( -1.904 4.619 -4.684) 6.849 7.907 ( -0.049 -5.184 -5.400) 7.485 7.950 ( -6.203 -7.468 1.223) 9.785 8.188 ( 0.744 0.761 -0.073) 1.067 8.230 ( -1.202 1.758 1.187) 2.438 8.662 ( 2.536 1.140 2.863) 3.991 8.781 ( -0.848 1.068 -1.873) 2.317 8.974 ( 4.950 1.480 1.322) 5.333 9.049 ( 6.319 -0.263 -5.258) 8.225 9.217 ( -7.241 4.869 1.936) 8.938 9.295 ( -5.848 1.166 -0.530) 5.986 9.631 ( -3.055 0.161 3.008) 4.290 9.784 ( -7.468 -3.207 -4.841) 9.460 10.277 ( 0.070 2.858 9.269) 9.700 10.393 ( 0.393 0.049 -6.953) 6.965 10.856 ( 2.536 -0.623 2.259) 3.453 10.893 ( 2.063 -1.518 -2.565) 3.625 11.375 ( 9.810 1.052 0.339) 9.872 11.572 ( 5.001 1.211 0.646) 5.186 11.719 ( -4.382 -0.304 -0.128) 4.394 11.813 ( -4.505 -0.141 -0.532) 4.539 12.712 ( 3.401 2.834 -4.171) 6.082 12.809 ( 1.318 1.836 1.607) 2.773 12.947 ( -4.695 -1.104 0.567) 4.856 12.958 ( -9.023 -0.536 2.857) 9.480 13.552 ( 3.260 -0.796 -1.630) 3.731 13.675 ( -4.032 -1.051 4.721) 6.297 13.975 ( 5.501 0.343 -0.500) 5.534 14.140 ( -0.537 1.803 -6.445) 6.714 14.719 ( -0.272 0.438 2.810) 2.856 14.760 ( -1.608 -0.814 -0.133) 1.808 14.945 ( 10.031 2.764 3.946) 11.127 15.098 ( 5.962 0.831 -3.087) 6.765 15.799 ( -1.068 4.005 2.684) 4.938 15.831 ( -0.270 4.912 -0.101) 4.921 15.841 ( 10.877 3.125 -0.557) 11.330 15.982 ( 5.339 2.399 -2.532) 6.378 16.391 ( 4.980 -4.497 -5.829) 8.888 16.425 ( -2.210 -2.973 3.865) 5.354 16.796 ( -0.778 -1.656 0.458) 1.886 16.822 ( -1.394 -0.374 0.744) 1.624 16.882 ( 0.201 -1.408 -4.092) 4.332 17.012 ( -5.441 1.188 1.629) 5.803 17.083 ( -0.410 0.053 1.732) 1.780 17.093 ( -0.854 -0.541 3.664) 3.801 20.003 ( 8.563 2.491 2.700) 9.317 20.142 ( 5.942 5.725 -2.222) 8.545 21.164 ( -5.362 0.326 -3.204) 6.255 21.255 ( -8.758 0.794 3.078) 9.317 22.740 ( 0.401 -4.336 -7.461) 8.639 22.782 ( -5.627 -3.840 8.236) 10.688 27.843 ( 0.128 0.201 5.285) 5.291 28.027 ( -7.038 2.418 -6.077) 9.607 29.528 ( 3.589 2.364 -0.560) 4.334 29.641 ( -1.657 4.162 0.512) 4.509 29.852 ( 3.121 -0.854 -0.138) 3.238 29.938 ( -0.316 -1.077 0.968) 1.482 31.014 ( 5.878 0.932 0.544) 5.977 31.077 ( 1.869 1.169 -2.266) 3.162 31.122 ( 0.570 -3.797 1.327) 4.062 31.247 ( -2.607 -6.994 0.219) 7.468 31.713 ( -4.348 -1.672 3.040) 5.563 31.726 ( -3.171 0.187 -2.332) 3.941 32.008 ( 1.640 2.568 2.407) 3.883 32.062 ( 0.585 -0.254 -2.514) 2.594 32.397 ( 6.151 -0.912 0.640) 6.251 32.538 ( 5.186 0.936 1.590) 5.504 32.768 ( 3.431 1.761 -7.139) 8.115 32.931 ( -3.257 -0.153 7.782) 8.438 34.329 ( 0.644 -3.294 0.236) 3.365 34.349 ( -1.074 -3.589 0.590) 3.792 34.901 ( -2.390 2.035 -5.905) 6.687 34.989 ( -8.950 -2.205 2.267) 9.492 36.146 ( 10.634 2.631 -1.534) 11.062 36.353 ( 1.239 4.431 8.405) 9.582 36.761 ( 7.176 10.957 -12.320) 17.981 37.138 ( -13.613 0.594 3.689) 14.116 ======================= Grid point 199 (92/95) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 6.394 -8.617 -8.930) 13.960 1.937 ( -4.578 -8.884 8.332) 13.012 2.163 ( 8.349 -4.558 1.531) 9.634 2.338 ( -7.474 -2.206 -1.586) 7.953 2.690 ( 7.369 4.253 5.247) 9.996 2.799 ( 5.535 -4.214 -13.396) 15.095 2.868 ( 3.435 1.096 4.822) 6.021 2.984 ( -8.996 0.754 5.750) 10.703 3.187 ( 2.075 3.650 6.756) 7.954 3.261 ( -0.474 7.664 -7.641) 10.833 3.448 ( 5.425 -3.233 -5.891) 8.636 3.532 ( -2.924 -2.861 1.974) 4.542 3.545 ( 4.672 0.107 -4.763) 6.672 3.598 ( -4.475 -1.376 2.888) 5.501 3.910 ( 2.734 -0.565 4.129) 4.984 4.002 ( 1.191 5.089 2.054) 5.616 4.056 ( -6.455 -3.857 -4.003) 8.518 4.076 ( -4.940 1.482 1.820) 5.469 4.305 ( 0.649 -6.498 4.212) 7.771 4.350 ( 0.532 -3.555 -2.776) 4.542 4.514 ( 2.635 -1.483 5.765) 6.509 4.585 ( -0.765 1.662 -7.544) 7.763 4.791 ( 0.472 2.725 3.327) 4.326 4.820 ( 0.286 1.118 1.442) 1.847 4.893 ( 6.535 -0.226 -2.824) 7.123 4.936 ( 2.040 0.513 -1.831) 2.789 5.223 ( 5.865 -2.189 2.376) 6.696 5.337 ( -3.033 2.456 -0.814) 3.987 5.471 ( 1.415 4.551 0.826) 4.837 5.552 ( -6.284 -0.062 -2.107) 6.629 5.642 ( 3.840 -4.323 1.815) 6.060 5.699 ( -1.745 -3.722 -1.276) 4.305 5.920 ( -1.640 -2.030 2.490) 3.607 5.969 ( -6.750 -3.410 -1.730) 7.757 7.212 ( 2.902 -2.972 8.682) 9.624 7.336 ( -4.605 -2.389 -7.984) 9.521 7.519 ( 2.000 1.593 1.612) 3.023 7.587 ( -3.939 -0.103 -1.490) 4.213 7.955 ( 2.990 0.438 -4.158) 5.140 7.995 ( -3.497 -0.421 3.166) 4.736 8.193 ( -1.122 -2.549 0.779) 2.892 8.204 ( -1.626 -2.005 -1.817) 3.157 8.672 ( 3.559 1.786 1.187) 4.155 8.738 ( -2.671 1.692 -0.121) 3.164 8.978 ( 3.794 3.546 -0.184) 5.197 9.066 ( -5.464 6.301 1.012) 8.401 9.094 ( 5.942 0.413 -2.254) 6.369 9.207 ( -5.858 1.990 -0.151) 6.189 9.660 ( 1.638 -3.154 5.294) 6.377 9.768 ( -5.688 -4.160 -6.197) 9.384 10.263 ( 2.359 2.692 7.597) 8.398 10.351 ( -2.437 1.248 -6.366) 6.930 10.899 ( 1.284 -0.964 4.213) 4.509 10.923 ( 1.303 -0.995 -4.107) 4.422 11.425 ( 8.343 3.597 0.068) 9.085 11.541 ( -2.332 4.462 0.885) 5.112 11.715 ( 0.390 -1.551 0.376) 1.643 11.779 ( -4.416 -1.294 -1.041) 4.718 12.701 ( 6.554 2.573 -4.255) 8.227 12.789 ( -1.474 2.391 4.768) 5.534 12.891 ( -4.061 -1.086 -0.101) 4.205 12.938 ( -4.800 -1.669 -0.269) 5.089 13.595 ( 3.738 -0.908 -1.728) 4.217 13.663 ( -4.436 -0.799 3.008) 5.419 14.013 ( 4.848 0.948 0.669) 4.985 14.091 ( -1.556 1.242 -3.579) 4.095 14.722 ( 1.337 0.029 0.944) 1.637 14.759 ( -2.648 -1.382 1.075) 3.175 14.990 ( 8.857 3.918 3.608) 10.335 15.093 ( 0.957 2.866 -4.055) 5.057 15.706 ( -0.960 6.501 0.217) 6.575 15.711 ( -1.369 7.393 0.061) 7.519 15.853 ( 7.601 6.027 0.989) 9.750 15.942 ( -0.547 4.928 -1.636) 5.222 16.489 ( 2.472 -4.511 -2.173) 5.584 16.507 ( 0.189 -6.212 1.433) 6.378 16.794 ( 1.710 1.674 -1.257) 2.703 16.845 ( -3.467 -2.319 0.491) 4.200 16.895 ( 0.535 -1.200 -1.200) 1.779 16.944 ( -4.600 0.136 1.729) 4.916 17.094 ( 1.765 -0.263 -2.047) 2.716 17.106 ( -1.187 -0.724 3.789) 4.036 20.009 ( 4.906 5.652 2.755) 7.975 20.058 ( 1.952 7.487 -2.666) 8.184 21.129 ( -0.117 -0.846 -3.436) 3.541 21.183 ( -6.955 -0.566 3.434) 7.777 22.821 ( 2.294 -6.137 -8.453) 10.695 22.840 ( -4.586 -5.744 8.722) 11.406 27.856 ( 1.149 0.618 3.964) 4.173 27.923 ( -3.562 2.165 -4.321) 6.004 29.521 ( 3.255 1.800 0.017) 3.719 29.575 ( -2.019 1.880 0.091) 2.760 29.872 ( 3.835 2.012 -1.281) 4.516 29.930 ( -2.698 1.079 1.339) 3.199 31.035 ( 3.000 1.577 1.135) 3.574 31.067 ( 0.435 1.231 -1.707) 2.149 31.232 ( 4.467 -6.437 -1.608) 7.998 31.330 ( -6.282 -7.590 2.279) 10.113 31.710 ( -0.402 -0.731 0.378) 0.916 31.726 ( -1.947 -2.544 -0.606) 3.261 32.000 ( 1.703 1.228 5.239) 5.644 32.052 ( -0.566 -0.322 -5.170) 5.211 32.460 ( 5.183 0.668 0.671) 5.269 32.532 ( -0.906 2.346 0.821) 2.646 32.768 ( 6.640 2.302 -3.886) 8.030 32.887 ( -6.763 1.559 3.970) 7.996 34.418 ( 1.292 -6.641 -1.751) 6.988 34.428 ( -1.258 -6.829 2.252) 7.300 34.858 ( 1.879 1.367 -3.892) 4.533 34.936 ( -8.141 -0.327 2.256) 8.454 36.157 ( 6.969 5.932 -1.819) 9.331 36.231 ( -2.286 9.977 3.404) 10.787 36.688 ( 14.786 7.983 -4.036) 17.281 36.963 ( -15.377 4.578 1.816) 16.147 ======================= Grid point 200 (93/95) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.747 -0.457 -7.879) 8.083 1.995 ( -1.747 -0.457 7.879) 8.083 2.325 ( -0.500 -4.583 -8.395) 9.577 2.325 ( 0.500 -4.583 8.395) 9.577 2.750 ( -6.709 2.645 -6.743) 9.873 2.750 ( 6.709 2.645 6.743) 9.873 2.917 ( -5.367 0.714 -5.251) 7.542 2.917 ( 5.367 0.714 5.251) 7.542 3.162 ( -0.203 -0.491 -3.371) 3.412 3.162 ( 0.203 -0.491 3.371) 3.412 3.537 ( 3.555 0.392 -4.346) 5.628 3.537 ( -3.555 0.392 4.346) 5.628 3.603 ( 2.801 -4.632 -8.258) 9.874 3.603 ( -2.801 -4.632 8.258) 9.874 3.903 ( -1.483 7.537 -2.642) 8.123 3.903 ( 1.483 7.537 2.642) 8.123 4.009 ( -2.229 0.030 -4.432) 4.961 4.009 ( 2.229 0.030 4.432) 4.961 4.431 ( -1.387 -3.968 -6.826) 8.016 4.431 ( 1.387 -3.968 6.826) 8.016 4.542 ( 0.378 -1.137 -7.558) 7.652 4.542 ( -0.378 -1.137 7.558) 7.652 4.769 ( 1.183 3.611 -6.136) 7.217 4.769 ( -1.183 3.611 6.136) 7.217 4.921 ( -1.050 0.788 -2.833) 3.123 4.921 ( 1.050 0.788 2.833) 3.123 5.320 ( 4.483 -1.106 -5.378) 7.088 5.320 ( -4.483 -1.106 5.378) 7.088 5.487 ( -8.551 -1.375 -2.096) 8.911 5.487 ( 8.551 -1.375 2.096) 8.911 5.745 ( -1.627 -4.104 -0.030) 4.415 5.745 ( 1.627 -4.104 0.030) 4.415 5.955 ( -2.539 -2.471 -2.187) 4.163 5.955 ( 2.539 -2.471 2.187) 4.163 7.290 ( -3.727 -0.038 -3.273) 4.960 7.290 ( 3.727 -0.038 3.273) 4.960 7.604 ( 4.319 -6.020 -3.060) 8.016 7.604 ( -4.319 -6.020 3.060) 8.016 7.915 ( -1.113 5.593 -0.229) 5.707 7.915 ( 1.113 5.593 0.229) 5.707 8.268 ( 0.623 -6.050 -0.318) 6.090 8.268 ( -0.623 -6.050 0.318) 6.090 8.676 ( 0.923 2.112 -4.548) 5.098 8.676 ( -0.923 2.112 4.548) 5.098 8.922 ( -1.228 6.489 -1.031) 6.684 8.922 ( 1.228 6.489 1.031) 6.684 9.147 ( -0.772 -1.367 -6.604) 6.788 9.147 ( 0.772 -1.367 6.604) 6.788 9.778 ( -3.639 -4.793 -6.457) 8.827 9.778 ( 3.639 -4.793 6.457) 8.827 10.282 ( -2.706 1.047 -7.427) 7.973 10.282 ( 2.706 1.047 7.427) 7.973 10.923 ( 0.895 0.400 -5.672) 5.756 10.923 ( -0.895 0.400 5.672) 5.756 11.410 ( -6.061 6.048 0.601) 8.583 11.410 ( 6.061 6.048 -0.601) 8.583 11.768 ( -2.991 -2.091 -1.859) 4.096 11.768 ( 2.991 -2.091 1.859) 4.096 12.720 ( 6.962 1.864 -4.372) 8.430 12.720 ( -6.962 1.864 4.372) 8.430 12.927 ( 0.531 -2.611 -2.806) 3.869 12.927 ( -0.531 -2.611 2.806) 3.869 13.638 ( 2.182 -0.381 -0.826) 2.364 13.638 ( -2.182 -0.381 0.826) 2.364 14.042 ( -3.557 0.857 -2.308) 4.326 14.042 ( 3.557 0.857 2.308) 4.326 14.756 ( 1.619 -1.223 -4.969) 5.367 14.756 ( -1.619 -1.223 4.969) 5.367 14.998 ( -4.937 4.552 -4.485) 8.076 14.998 ( 4.937 4.552 4.485) 8.076 15.568 ( -1.141 9.241 -1.227) 9.392 15.568 ( 1.141 9.241 1.227) 9.392 15.806 ( -5.387 6.967 -0.913) 8.854 15.806 ( 5.387 6.967 0.913) 8.854 16.591 ( 0.713 -4.739 -4.168) 6.351 16.591 ( -0.713 -4.739 4.168) 6.351 16.794 ( 1.223 1.483 -5.411) 5.743 16.794 ( -1.223 1.483 5.411) 5.743 16.935 ( 1.554 -1.211 -1.133) 2.273 16.935 ( -1.554 -1.211 1.133) 2.273 17.114 ( 1.860 -1.068 -2.383) 3.206 17.114 ( -1.860 -1.068 2.383) 3.206 19.933 ( 0.618 6.910 -4.758) 8.413 19.933 ( -0.618 6.910 4.758) 8.413 21.172 ( 2.585 -2.991 -3.987) 5.615 21.172 ( -2.585 -2.991 3.987) 5.615 22.924 ( 3.345 -5.677 -8.822) 11.011 22.924 ( -3.345 -5.677 8.822) 11.011 27.864 ( -1.044 1.027 -3.024) 3.360 27.864 ( 1.044 1.027 3.024) 3.360 29.535 ( -0.796 0.229 -3.284) 3.387 29.535 ( 0.796 0.229 3.284) 3.387 29.859 ( -4.204 3.567 1.351) 5.676 29.859 ( 4.204 3.567 -1.351) 5.676 31.032 ( -1.199 1.649 -1.811) 2.727 31.032 ( 1.199 1.649 1.811) 2.727 31.394 ( 4.385 -6.941 -2.626) 8.620 31.394 ( -4.385 -6.941 2.626) 8.620 31.734 ( -1.980 -0.447 -1.408) 2.470 31.734 ( 1.980 -0.447 1.408) 2.470 32.044 ( -1.756 -2.368 -7.831) 8.368 32.044 ( 1.756 -2.368 7.831) 8.368 32.466 ( -2.506 3.190 0.056) 4.057 32.466 ( 2.506 3.190 -0.056) 4.057 32.784 ( 0.983 3.187 -7.048) 7.797 32.784 ( -0.983 3.187 7.048) 7.797 34.560 ( 1.866 -9.503 -4.399) 10.637 34.560 ( -1.866 -9.503 4.399) 10.637 34.862 ( 4.361 1.740 -11.089) 12.042 34.862 ( -4.361 1.740 11.089) 12.042 36.060 ( 2.465 9.181 -7.306) 11.990 36.060 ( -2.465 9.181 7.306) 11.990 36.729 ( -8.463 4.788 -5.500) 11.171 36.729 ( 8.463 4.788 5.500) 11.171 ======================= Grid point 208 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 10.859 -0.000 -15.054) 18.562 1.749 ( -4.725 0.000 17.061) 17.703 2.094 ( 7.095 -0.000 3.240) 7.799 2.295 ( -11.034 0.000 -4.755) 12.015 2.644 ( 15.266 -0.000 -13.355) 20.283 2.799 ( -7.637 0.000 7.109) 10.434 2.950 ( 0.206 -0.000 -0.663) 0.695 2.971 ( -4.078 0.000 5.525) 6.867 3.222 ( 1.369 -0.000 13.718) 13.786 3.329 ( 0.091 -0.000 -13.631) 13.631 3.441 ( 5.306 -0.000 -7.202) 8.945 3.538 ( -8.168 0.000 3.129) 8.747 3.554 ( 3.412 -0.000 3.202) 4.679 3.588 ( 2.662 -0.000 -6.256) 6.799 3.872 ( 3.664 -0.000 11.972) 12.520 3.946 ( -1.670 0.000 -6.106) 6.330 4.002 ( 6.027 -0.000 -13.495) 14.780 4.072 ( -12.511 0.000 18.257) 22.133 4.234 ( 8.343 -0.000 2.666) 8.758 4.332 ( 7.563 -0.000 3.661) 8.403 4.495 ( -2.280 0.000 -1.300) 2.624 4.614 ( -4.596 0.000 -9.923) 10.936 4.793 ( 8.849 -0.000 -3.797) 9.629 4.793 ( 3.680 -0.000 6.406) 7.388 4.950 ( 3.179 -0.000 -9.220) 9.752 5.009 ( -4.707 0.000 8.344) 9.580 5.233 ( 3.581 -0.000 2.105) 4.154 5.401 ( -11.054 0.000 -0.345) 11.059 5.473 ( 4.495 -0.000 -3.357) 5.610 5.532 ( -3.224 0.000 2.414) 4.028 5.701 ( 0.121 -0.000 2.219) 2.223 5.715 ( 0.061 -0.000 -1.986) 1.987 5.785 ( -0.571 0.000 -0.788) 0.973 5.805 ( -3.389 0.000 1.253) 3.613 7.134 ( -1.390 0.000 14.592) 14.658 7.239 ( -4.031 0.000 -14.121) 14.685 7.707 ( -0.639 0.000 4.034) 4.085 7.722 ( 0.183 -0.000 -3.607) 3.611 7.788 ( -2.209 0.000 -0.243) 2.222 7.807 ( -3.561 0.000 -3.279) 4.841 8.221 ( 2.932 -0.000 -2.001) 3.550 8.247 ( -1.340 0.000 3.157) 3.430 8.707 ( 2.605 -0.000 4.288) 5.018 8.772 ( -1.622 0.000 -3.334) 3.708 9.045 ( 5.952 -0.000 -0.477) 5.971 9.086 ( 4.383 -0.000 -2.250) 4.927 9.209 ( -4.910 0.000 1.125) 5.037 9.245 ( -5.593 0.000 0.087) 5.593 9.619 ( -1.374 0.000 2.722) 3.049 9.676 ( -5.519 0.000 -3.959) 6.792 10.327 ( -0.410 0.000 10.474) 10.482 10.378 ( 0.625 -0.000 -9.231) 9.252 10.875 ( 1.064 -0.000 2.717) 2.918 10.886 ( 1.399 -0.000 -2.955) 3.270 11.479 ( 9.666 -0.000 0.684) 9.690 11.620 ( -1.033 0.000 0.909) 1.376 11.679 ( 0.219 -0.000 -1.169) 1.189 11.765 ( -5.171 0.000 -0.228) 5.176 12.760 ( 5.324 -0.000 -6.179) 8.156 12.843 ( -0.829 0.000 4.463) 4.539 12.882 ( -6.893 0.000 2.899) 7.478 12.902 ( -2.717 0.000 -0.615) 2.786 13.575 ( 4.127 -0.000 -2.678) 4.920 13.638 ( -4.528 0.000 4.493) 6.379 14.031 ( 5.209 -0.000 0.966) 5.298 14.122 ( -2.450 0.000 -5.135) 5.689 14.723 ( -1.059 0.000 3.712) 3.860 14.737 ( -0.886 0.000 -2.093) 2.273 15.065 ( 7.629 -0.000 3.274) 8.302 15.138 ( 2.150 -0.000 -2.802) 3.531 15.831 ( -0.764 0.000 1.856) 2.007 15.856 ( -2.531 0.000 -0.067) 2.531 15.962 ( 8.742 -0.000 -0.399) 8.751 16.033 ( 1.645 -0.000 -1.663) 2.339 16.375 ( 3.522 -0.000 -6.764) 7.626 16.386 ( -2.484 0.000 5.729) 6.245 16.777 ( 1.187 -0.000 0.270) 1.217 16.812 ( -2.003 0.000 1.065) 2.269 16.876 ( 3.477 -0.000 -5.373) 6.400 16.962 ( -7.511 0.000 2.991) 8.084 17.089 ( -0.773 0.000 5.605) 5.658 17.094 ( 1.272 -0.000 -2.516) 2.819 20.116 ( 8.335 -0.000 2.093) 8.594 20.216 ( 0.101 -0.000 -1.644) 1.647 21.128 ( -0.517 0.000 -3.410) 3.449 21.191 ( -7.924 0.000 3.179) 8.538 22.694 ( 2.196 -0.000 -7.191) 7.519 22.721 ( -4.796 0.000 7.678) 9.053 27.868 ( 1.479 -0.000 5.878) 6.062 27.966 ( -5.460 0.000 -6.460) 8.459 29.584 ( 3.393 -0.000 0.613) 3.448 29.655 ( -3.612 0.000 -0.645) 3.669 29.871 ( 3.785 -0.000 -0.547) 3.824 29.920 ( -1.728 0.000 1.290) 2.157 31.087 ( 6.153 -0.000 -0.716) 6.195 31.090 ( -0.590 0.000 2.883) 2.943 31.095 ( 1.257 -0.000 -2.977) 3.231 31.171 ( -2.051 0.000 0.444) 2.098 31.672 ( -2.652 0.000 2.851) 3.893 31.687 ( -2.634 0.000 -2.317) 3.508 32.049 ( 0.044 -0.000 3.114) 3.114 32.060 ( 1.061 -0.000 -3.290) 3.457 32.457 ( 7.187 -0.000 1.427) 7.327 32.567 ( -1.567 0.000 -0.122) 1.572 32.806 ( 6.890 -0.000 -7.506) 10.189 32.909 ( -6.286 0.000 7.778) 10.000 34.307 ( 0.043 -0.000 1.230) 1.231 34.313 ( -0.217 0.000 -0.795) 0.824 34.889 ( 1.451 -0.000 -11.213) 11.307 34.914 ( -6.901 0.000 9.321) 11.598 36.267 ( 10.630 -0.000 -2.309) 10.878 36.400 ( -4.462 0.000 6.769) 8.108 36.884 ( 8.827 -0.000 -13.849) 16.423 37.036 ( -12.518 0.000 8.499) 15.131 ======================= Grid point 209 (95/95) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 7.578 -5.878 -14.812) 17.645 1.785 ( -7.578 -5.878 14.812) 17.645 2.201 ( -6.676 -2.087 -5.896) 9.148 2.201 ( 6.676 -2.087 5.896) 9.148 2.755 ( 7.673 -1.884 -8.873) 11.881 2.755 ( -7.673 -1.884 8.873) 11.881 2.936 ( -1.144 1.774 -3.345) 3.955 2.936 ( 1.144 1.774 3.345) 3.955 3.280 ( -1.931 0.637 -13.395) 13.549 3.280 ( 1.931 0.637 13.395) 13.549 3.480 ( 4.069 0.261 -3.772) 5.555 3.480 ( -4.069 0.261 3.772) 5.555 3.567 ( -0.105 0.829 -2.039) 2.203 3.567 ( 0.105 0.829 2.039) 2.203 3.939 ( -2.170 -2.119 -6.775) 7.423 3.939 ( 2.170 -2.119 6.775) 7.423 4.044 ( 7.024 -1.709 -14.810) 16.480 4.044 ( -7.024 -1.709 14.810) 16.480 4.306 ( -6.217 1.385 -3.406) 7.223 4.306 ( 6.217 1.385 3.406) 7.223 4.550 ( -5.578 -1.463 -7.865) 9.753 4.550 ( 5.578 -1.463 7.865) 9.753 4.821 ( 2.140 0.931 -4.691) 5.239 4.821 ( -2.140 0.931 4.691) 5.239 4.953 ( 3.112 1.261 -7.546) 8.260 4.953 ( -3.112 1.261 7.546) 8.260 5.288 ( -8.013 1.003 -2.909) 8.583 5.288 ( 8.013 1.003 2.909) 8.583 5.524 ( -1.115 -0.526 -0.931) 1.545 5.524 ( 1.115 -0.526 0.931) 1.545 5.647 ( -1.983 2.114 -3.210) 4.325 5.647 ( 1.983 2.114 3.210) 4.325 5.866 ( -1.440 -5.178 -0.115) 5.376 5.866 ( 1.440 -5.178 0.115) 5.376 7.206 ( -1.892 -3.650 -13.672) 14.276 7.206 ( 1.892 -3.650 13.672) 14.276 7.615 ( -0.781 6.447 -4.660) 7.993 7.615 ( 0.781 6.447 4.660) 7.993 7.890 ( 1.718 -7.633 -3.505) 8.573 7.890 ( -1.718 -7.633 3.505) 8.573 8.214 ( 1.536 2.574 -1.463) 3.335 8.214 ( -1.536 2.574 1.463) 3.335 8.733 ( -2.250 1.139 -3.445) 4.270 8.733 ( 2.250 1.139 3.445) 4.270 9.074 ( -3.940 2.118 0.054) 4.474 9.074 ( 3.940 2.118 -0.054) 4.474 9.182 ( 1.100 1.899 -2.557) 3.370 9.182 ( -1.100 1.899 2.557) 3.370 9.650 ( -2.864 -2.364 -4.899) 6.148 9.650 ( 2.864 -2.364 4.899) 6.148 10.339 ( -0.354 1.612 -9.613) 9.753 10.339 ( 0.354 1.612 9.613) 9.753 10.898 ( 0.284 -1.195 -4.186) 4.362 10.898 ( -0.284 -1.195 4.186) 4.362 11.550 ( -7.749 1.976 -0.082) 7.997 11.550 ( 7.749 1.976 0.082) 7.997 11.719 ( -4.268 -0.618 -0.203) 4.317 11.719 ( 4.268 -0.618 0.203) 4.317 12.790 ( 7.630 1.636 -6.521) 10.170 12.790 ( -7.630 1.636 6.521) 10.170 12.881 ( -2.964 -0.462 0.084) 3.001 12.881 ( 2.964 -0.462 -0.084) 3.001 13.614 ( 4.546 -0.794 -3.291) 5.668 13.614 ( -4.546 -0.794 3.291) 5.668 14.073 ( -3.762 0.780 -2.685) 4.687 14.073 ( 3.762 0.780 2.685) 4.687 14.729 ( 0.444 -0.354 -3.571) 3.616 14.729 ( -0.444 -0.354 3.571) 3.616 15.109 ( -3.507 1.895 -3.420) 5.253 15.109 ( 3.507 1.895 3.420) 5.253 15.798 ( -1.239 4.322 -0.129) 4.498 15.798 ( 1.239 4.322 0.129) 4.498 15.992 ( -3.543 3.418 -0.929) 5.010 15.992 ( 3.543 3.418 0.929) 5.010 16.420 ( 1.812 -4.189 -6.000) 7.538 16.420 ( -1.812 -4.189 6.000) 7.538 16.805 ( -0.407 -1.061 -0.546) 1.261 16.805 ( 0.407 -1.061 0.546) 1.261 16.904 ( 5.251 0.204 -3.951) 6.575 16.904 ( -5.251 0.204 3.951) 6.575 17.097 ( 1.191 -0.250 -3.996) 4.177 17.097 ( -1.191 -0.250 3.996) 4.177 20.148 ( -3.506 4.494 -2.575) 6.255 20.148 ( 3.506 4.494 2.575) 6.255 21.135 ( 4.396 0.249 -3.712) 5.758 21.135 ( -4.396 0.249 3.712) 5.758 22.738 ( 3.708 -4.148 -7.915) 9.675 22.738 ( -3.708 -4.148 7.915) 9.675 27.901 ( -2.795 0.772 -5.792) 6.477 27.901 ( 2.795 0.772 5.792) 6.477 29.591 ( -1.635 2.692 -1.750) 3.603 29.591 ( 1.635 2.692 1.750) 3.603 29.911 ( 2.212 -0.611 -1.274) 2.625 29.911 ( -2.212 -0.611 1.274) 2.625 31.081 ( -0.196 1.135 -2.007) 2.314 31.081 ( 0.196 1.135 2.007) 2.314 31.180 ( -4.409 -4.462 0.720) 6.314 31.180 ( 4.409 -4.462 -0.720) 6.314 31.681 ( 0.137 -1.582 -1.715) 2.337 31.681 ( -0.137 -1.582 1.715) 2.337 32.045 ( 0.025 1.197 -4.035) 4.209 32.045 ( -0.025 1.197 4.035) 4.209 32.523 ( -5.394 0.421 -1.061) 5.513 32.523 ( 5.394 0.421 1.061) 5.513 32.852 ( 6.157 0.991 -6.818) 9.240 32.852 ( -6.157 0.991 6.818) 9.240 34.338 ( 0.145 -3.470 -0.849) 3.575 34.338 ( -0.145 -3.470 0.849) 3.575 34.887 ( 4.304 0.096 -10.259) 11.126 34.887 ( -4.304 0.096 10.259) 11.126 36.312 ( 3.122 4.542 -4.058) 6.845 36.312 ( -3.122 4.542 4.058) 6.845 36.911 ( 6.448 4.196 -9.373) 12.126 36.911 ( -6.448 4.196 9.373) 12.126 =================== 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 3/36936 10.0 460.713 411.623 381.216 0.000 9.273 -0.000 3/36936 20.0 68.772 50.813 78.858 0.000 -10.029 -0.000 3/36936 30.0 25.263 17.854 29.866 0.000 -4.517 -0.000 3/36936 40.0 13.727 9.608 16.346 0.000 -2.567 -0.000 3/36936 50.0 9.093 6.356 10.884 0.000 -1.724 -0.000 3/36936 60.0 6.736 4.706 8.078 0.000 -1.278 -0.000 3/36936 70.0 5.345 3.731 6.403 0.000 -1.010 -0.000 3/36936 80.0 4.439 3.093 5.300 0.000 -0.832 -0.000 3/36936 90.0 3.806 2.647 4.524 0.000 -0.708 -0.000 3/36936 100.0 3.343 2.318 3.951 0.000 -0.615 -0.000 3/36936 110.0 2.990 2.065 3.510 0.000 -0.545 -0.000 3/36936 120.0 2.712 1.866 3.162 0.000 -0.490 -0.000 3/36936 130.0 2.489 1.705 2.880 0.000 -0.445 -0.000 3/36936 140.0 2.306 1.572 2.646 0.000 -0.409 -0.000 3/36936 150.0 2.152 1.460 2.450 0.000 -0.378 -0.000 3/36936 160.0 2.021 1.364 2.283 0.000 -0.352 -0.000 3/36936 170.0 1.909 1.282 2.139 0.000 -0.330 -0.000 3/36936 180.0 1.810 1.210 2.013 0.000 -0.311 -0.000 3/36936 190.0 1.723 1.147 1.902 0.000 -0.294 -0.000 3/36936 200.0 1.646 1.091 1.804 0.000 -0.279 -0.000 3/36936 210.0 1.577 1.040 1.716 0.000 -0.265 -0.000 3/36936 220.0 1.514 0.995 1.637 0.000 -0.253 -0.000 3/36936 230.0 1.457 0.954 1.566 0.000 -0.242 -0.000 3/36936 240.0 1.405 0.917 1.501 0.000 -0.233 -0.000 3/36936 250.0 1.357 0.883 1.442 0.000 -0.224 -0.000 3/36936 260.0 1.313 0.852 1.387 0.000 -0.215 -0.000 3/36936 270.0 1.272 0.823 1.337 0.000 -0.208 -0.000 3/36936 280.0 1.234 0.797 1.291 0.000 -0.201 -0.000 3/36936 290.0 1.199 0.772 1.249 0.000 -0.194 -0.000 3/36936 300.0 1.166 0.750 1.209 0.000 -0.188 -0.000 3/36936 310.0 1.135 0.728 1.172 0.000 -0.182 -0.000 3/36936 320.0 1.106 0.709 1.137 0.000 -0.177 -0.000 3/36936 330.0 1.078 0.690 1.105 0.000 -0.172 -0.000 3/36936 340.0 1.052 0.672 1.074 0.000 -0.167 -0.000 3/36936 350.0 1.028 0.656 1.045 0.000 -0.163 -0.000 3/36936 360.0 1.005 0.640 1.018 0.000 -0.159 -0.000 3/36936 370.0 0.982 0.626 0.993 0.000 -0.155 -0.000 3/36936 380.0 0.961 0.612 0.968 0.000 -0.151 -0.000 3/36936 390.0 0.941 0.598 0.945 0.000 -0.147 -0.000 3/36936 400.0 0.922 0.586 0.924 0.000 -0.144 -0.000 3/36936 410.0 0.904 0.574 0.903 0.000 -0.141 -0.000 3/36936 420.0 0.887 0.562 0.883 0.000 -0.138 -0.000 3/36936 430.0 0.870 0.551 0.864 0.000 -0.135 -0.000 3/36936 440.0 0.854 0.541 0.846 0.000 -0.132 -0.000 3/36936 450.0 0.838 0.531 0.829 0.000 -0.129 -0.000 3/36936 460.0 0.823 0.521 0.812 0.000 -0.127 -0.000 3/36936 470.0 0.809 0.512 0.796 0.000 -0.124 -0.000 3/36936 480.0 0.795 0.503 0.781 0.000 -0.122 -0.000 3/36936 490.0 0.782 0.494 0.766 0.000 -0.119 -0.000 3/36936 500.0 0.769 0.486 0.752 0.000 -0.117 -0.000 3/36936 510.0 0.757 0.478 0.739 0.000 -0.115 -0.000 3/36936 520.0 0.744 0.470 0.726 0.000 -0.113 -0.000 3/36936 530.0 0.733 0.462 0.713 0.000 -0.111 -0.000 3/36936 540.0 0.722 0.455 0.701 0.000 -0.109 -0.000 3/36936 550.0 0.711 0.448 0.689 0.000 -0.107 -0.000 3/36936 560.0 0.700 0.441 0.678 0.000 -0.106 -0.000 3/36936 570.0 0.690 0.435 0.667 0.000 -0.104 -0.000 3/36936 580.0 0.680 0.428 0.656 0.000 -0.102 -0.000 3/36936 590.0 0.670 0.422 0.646 0.000 -0.101 -0.000 3/36936 600.0 0.661 0.416 0.636 0.000 -0.099 -0.000 3/36936 610.0 0.651 0.410 0.626 0.000 -0.098 -0.000 3/36936 620.0 0.642 0.405 0.617 0.000 -0.096 -0.000 3/36936 630.0 0.634 0.399 0.608 0.000 -0.095 -0.000 3/36936 640.0 0.625 0.394 0.599 0.000 -0.093 -0.000 3/36936 650.0 0.617 0.389 0.590 0.000 -0.092 -0.000 3/36936 660.0 0.609 0.383 0.582 0.000 -0.091 -0.000 3/36936 670.0 0.601 0.378 0.574 0.000 -0.089 -0.000 3/36936 680.0 0.594 0.374 0.566 0.000 -0.088 -0.000 3/36936 690.0 0.586 0.369 0.559 0.000 -0.087 -0.000 3/36936 700.0 0.579 0.364 0.551 0.000 -0.086 -0.000 3/36936 710.0 0.572 0.360 0.544 0.000 -0.085 -0.000 3/36936 720.0 0.565 0.355 0.537 0.000 -0.084 -0.000 3/36936 730.0 0.558 0.351 0.530 0.000 -0.083 -0.000 3/36936 740.0 0.552 0.347 0.523 0.000 -0.081 -0.000 3/36936 750.0 0.545 0.343 0.517 0.000 -0.080 -0.000 3/36936 760.0 0.539 0.339 0.510 0.000 -0.079 -0.000 3/36936 770.0 0.533 0.335 0.504 0.000 -0.078 -0.000 3/36936 780.0 0.527 0.331 0.498 0.000 -0.078 -0.000 3/36936 790.0 0.521 0.327 0.492 0.000 -0.077 -0.000 3/36936 800.0 0.515 0.324 0.486 0.000 -0.076 -0.000 3/36936 810.0 0.509 0.320 0.481 0.000 -0.075 -0.000 3/36936 820.0 0.504 0.317 0.475 0.000 -0.074 -0.000 3/36936 830.0 0.498 0.313 0.470 0.000 -0.073 -0.000 3/36936 840.0 0.493 0.310 0.464 0.000 -0.072 -0.000 3/36936 850.0 0.488 0.307 0.459 0.000 -0.071 -0.000 3/36936 860.0 0.483 0.304 0.454 0.000 -0.071 -0.000 3/36936 870.0 0.478 0.300 0.449 0.000 -0.070 -0.000 3/36936 880.0 0.473 0.297 0.444 0.000 -0.069 -0.000 3/36936 890.0 0.468 0.294 0.440 0.000 -0.068 -0.000 3/36936 900.0 0.463 0.291 0.435 0.000 -0.068 -0.000 3/36936 910.0 0.459 0.288 0.430 0.000 -0.067 -0.000 3/36936 920.0 0.454 0.286 0.426 0.000 -0.066 -0.000 3/36936 930.0 0.450 0.283 0.422 0.000 -0.066 -0.000 3/36936 940.0 0.445 0.280 0.417 0.000 -0.065 -0.000 3/36936 950.0 0.441 0.277 0.413 0.000 -0.064 -0.000 3/36936 960.0 0.437 0.275 0.409 0.000 -0.064 -0.000 3/36936 970.0 0.433 0.272 0.405 0.000 -0.063 -0.000 3/36936 980.0 0.429 0.270 0.401 0.000 -0.062 -0.000 3/36936 990.0 0.425 0.267 0.397 0.000 -0.062 -0.000 3/36936 1000.0 0.421 0.265 0.393 0.000 -0.061 -0.000 3/36936 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:39:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|