----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:39:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.801771395481694 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): *1 O 0.26108800260417 0.57810536941531 0.18195269560676 15.999 2 O 0.73891199739583 0.07810536941531 0.31804730439324 15.999 3 O 0.73891199739583 0.42189463058469 0.81804730439324 15.999 4 O 0.26108800260417 0.92189463058469 0.68195269560676 15.999 *5 O 0.21966401137759 0.36088454133893 0.49573721976397 15.999 6 O 0.78033598862241 0.86088454133893 0.00426278023603 15.999 7 O 0.78033598862241 0.63911545866107 0.50426278023603 15.999 8 O 0.21966401137759 0.13911545866107 0.99573721976397 15.999 *9 O 0.56176720609609 0.30434307941199 0.60817199355621 15.999 10 O 0.43823279390391 0.80434307941199 0.89182800644379 15.999 11 O 0.43823279390391 0.69565692058801 0.39182800644379 15.999 12 O 0.56176720609609 0.19565692058801 0.10817199355621 15.999 *13 O 0.92127537094213 0.30248077043605 0.56006223183133 15.999 14 O 0.07872462905786 0.80248077043605 0.93993776816867 15.999 15 O 0.07872462905786 0.69751922956395 0.43993776816866 15.999 16 O 0.92127537094213 0.19751922956395 0.06006223183134 15.999 *17 O 0.44732167446922 0.13052872578141 0.37897805456074 15.999 18 O 0.55267832553078 0.63052872578141 0.12102194543926 15.999 19 O 0.55267832553078 0.86947127421859 0.62102194543926 15.999 20 O 0.44732167446922 0.36947127421859 0.87897805456074 15.999 *21 O 0.98623749120745 0.10189313988053 0.79652282409355 15.999 22 O 0.01376250879255 0.60189313988053 0.70347717590645 15.999 23 O 0.01376250879255 0.89810686011947 0.20347717590645 15.999 24 O 0.98623749120745 0.39810686011947 0.29652282409355 15.999 *25 O 0.51194640207437 0.06431271736433 0.80620039286682 15.999 26 O 0.48805359792563 0.56431271736433 0.69379960713318 15.999 27 O 0.48805359792563 0.93568728263567 0.19379960713318 15.999 28 O 0.51194640207437 0.43568728263567 0.30620039286682 15.999 *29 O 0.06521228715709 0.36158768410477 0.87698430753806 15.999 30 O 0.93478771284291 0.86158768410477 0.62301569246194 15.999 31 O 0.93478771284291 0.63841231589523 0.12301569246194 15.999 32 O 0.06521228715709 0.13841231589523 0.37698430753806 15.999 *33 Zn 0.42149488243016 0.31481120886874 0.44226941363111 65.380 34 Zn 0.57850511756984 0.81481120886874 0.05773058636889 65.380 35 Zn 0.57850511756984 0.68518879113126 0.55773058636889 65.380 36 Zn 0.42149488243016 0.18518879113126 0.94226941363111 65.380 *37 Zn 0.93055563210927 0.07662526898593 0.21760729088565 65.380 38 Zn 0.06944436789073 0.57662526898593 0.28239270911435 65.380 39 Zn 0.06944436789073 0.92337473101407 0.78239270911435 65.380 40 Zn 0.93055563210927 0.42337473101407 0.71760729088565 65.380 *41 As 0.43906972026511 0.58553509081909 0.25665862487953 74.922 42 As 0.56093027973489 0.08553509081909 0.24334137512047 74.922 43 As 0.56093027973489 0.41446490918091 0.74334137512047 74.922 44 As 0.43906972026511 0.91446490918091 0.75665862487953 74.922 *45 As 0.94665077087542 0.79964138860959 0.06807810818707 74.922 46 As 0.05334922912458 0.29964138860959 0.43192189181293 74.922 47 As 0.05334922912458 0.20035861139041 0.93192189181294 74.922 48 As 0.94665077087542 0.70035861139041 0.56807810818706 74.922 *49 Ba 0.74808655048154 0.08455151411266 0.60860722527802 137.327 50 Ba 0.25191344951846 0.58455151411266 0.89139277472198 137.327 51 Ba 0.25191344951846 0.91544848588734 0.39139277472198 137.327 52 Ba 0.74808655048154 0.41544848588734 0.10860722527802 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.801771395481694 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): *1 O 0.26108800260417 0.57810536941531 0.18195269560676 15.999 > 1 2 O 0.73891199739583 0.07810536941531 0.31804730439324 15.999 > 2 3 O 0.73891199739583 0.42189463058469 0.81804730439324 15.999 > 3 4 O 0.26108800260417 0.92189463058469 0.68195269560676 15.999 > 4 *5 O 0.21966401137759 0.36088454133893 0.49573721976397 15.999 > 5 6 O 0.78033598862241 0.86088454133893 0.00426278023603 15.999 > 6 7 O 0.78033598862241 0.63911545866107 0.50426278023603 15.999 > 7 8 O 0.21966401137759 0.13911545866107 0.99573721976397 15.999 > 8 *9 O 0.56176720609609 0.30434307941199 0.60817199355621 15.999 > 9 10 O 0.43823279390391 0.80434307941199 0.89182800644379 15.999 > 10 11 O 0.43823279390391 0.69565692058801 0.39182800644379 15.999 > 11 12 O 0.56176720609609 0.19565692058801 0.10817199355621 15.999 > 12 *13 O 0.92127537094213 0.30248077043605 0.56006223183133 15.999 > 13 14 O 0.07872462905786 0.80248077043605 0.93993776816867 15.999 > 14 15 O 0.07872462905786 0.69751922956395 0.43993776816866 15.999 > 15 16 O 0.92127537094213 0.19751922956395 0.06006223183134 15.999 > 16 *17 O 0.44732167446922 0.13052872578141 0.37897805456074 15.999 > 17 18 O 0.55267832553078 0.63052872578141 0.12102194543926 15.999 > 18 19 O 0.55267832553078 0.86947127421859 0.62102194543926 15.999 > 19 20 O 0.44732167446922 0.36947127421859 0.87897805456074 15.999 > 20 *21 O 0.98623749120745 0.10189313988053 0.79652282409355 15.999 > 21 22 O 0.01376250879255 0.60189313988053 0.70347717590645 15.999 > 22 23 O 0.01376250879255 0.89810686011947 0.20347717590645 15.999 > 23 24 O 0.98623749120745 0.39810686011947 0.29652282409355 15.999 > 24 *25 O 0.51194640207437 0.06431271736433 0.80620039286682 15.999 > 25 26 O 0.48805359792563 0.56431271736433 0.69379960713318 15.999 > 26 27 O 0.48805359792563 0.93568728263567 0.19379960713318 15.999 > 27 28 O 0.51194640207437 0.43568728263567 0.30620039286682 15.999 > 28 *29 O 0.06521228715709 0.36158768410477 0.87698430753806 15.999 > 29 30 O 0.93478771284291 0.86158768410477 0.62301569246194 15.999 > 30 31 O 0.93478771284291 0.63841231589523 0.12301569246194 15.999 > 31 32 O 0.06521228715709 0.13841231589523 0.37698430753806 15.999 > 32 *33 Zn 0.42149488243016 0.31481120886874 0.44226941363111 65.380 > 33 34 Zn 0.57850511756984 0.81481120886874 0.05773058636889 65.380 > 34 35 Zn 0.57850511756984 0.68518879113126 0.55773058636889 65.380 > 35 36 Zn 0.42149488243016 0.18518879113126 0.94226941363111 65.380 > 36 *37 Zn 0.93055563210927 0.07662526898593 0.21760729088565 65.380 > 37 38 Zn 0.06944436789073 0.57662526898593 0.28239270911435 65.380 > 38 39 Zn 0.06944436789073 0.92337473101407 0.78239270911435 65.380 > 39 40 Zn 0.93055563210927 0.42337473101407 0.71760729088565 65.380 > 40 *41 As 0.43906972026511 0.58553509081909 0.25665862487953 74.922 > 41 42 As 0.56093027973489 0.08553509081909 0.24334137512047 74.922 > 42 43 As 0.56093027973489 0.41446490918091 0.74334137512047 74.922 > 43 44 As 0.43906972026511 0.91446490918091 0.75665862487953 74.922 > 44 *45 As 0.94665077087542 0.79964138860959 0.06807810818707 74.922 > 45 46 As 0.05334922912458 0.29964138860959 0.43192189181293 74.922 > 46 47 As 0.05334922912458 0.20035861139041 0.93192189181294 74.922 > 47 48 As 0.94665077087542 0.70035861139041 0.56807810818706 74.922 > 48 *49 Ba 0.74808655048154 0.08455151411266 0.60860722527802 137.327 > 49 50 Ba 0.25191344951846 0.58455151411266 0.89139277472198 137.327 > 50 51 Ba 0.25191344951846 0.91544848588734 0.39139277472198 137.327 > 51 52 Ba 0.74808655048154 0.41544848588734 0.10860722527802 137.327 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.603542790963388 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): *1 O 0.13054400130209 0.57810536941531 0.18195269560676 15.999 > 1 2 O 0.63054400130209 0.57810536941531 0.18195269560676 15.999 > 1 3 O 0.36945599869791 0.07810536941531 0.31804730439324 15.999 > 2 4 O 0.86945599869791 0.07810536941531 0.31804730439324 15.999 > 2 5 O 0.36945599869791 0.42189463058469 0.81804730439324 15.999 > 3 6 O 0.86945599869791 0.42189463058469 0.81804730439324 15.999 > 3 7 O 0.13054400130209 0.92189463058469 0.68195269560676 15.999 > 4 8 O 0.63054400130209 0.92189463058469 0.68195269560676 15.999 > 4 *9 O 0.10983200568879 0.36088454133893 0.49573721976397 15.999 > 5 10 O 0.60983200568879 0.36088454133893 0.49573721976397 15.999 > 5 11 O 0.39016799431121 0.86088454133893 0.00426278023603 15.999 > 6 12 O 0.89016799431121 0.86088454133893 0.00426278023603 15.999 > 6 13 O 0.39016799431121 0.63911545866107 0.50426278023603 15.999 > 7 14 O 0.89016799431121 0.63911545866107 0.50426278023603 15.999 > 7 15 O 0.10983200568879 0.13911545866107 0.99573721976397 15.999 > 8 16 O 0.60983200568879 0.13911545866107 0.99573721976397 15.999 > 8 *17 O 0.28088360304804 0.30434307941199 0.60817199355621 15.999 > 9 18 O 0.78088360304804 0.30434307941199 0.60817199355621 15.999 > 9 19 O 0.21911639695196 0.80434307941199 0.89182800644379 15.999 > 10 20 O 0.71911639695196 0.80434307941199 0.89182800644379 15.999 > 10 21 O 0.21911639695196 0.69565692058801 0.39182800644379 15.999 > 11 22 O 0.71911639695196 0.69565692058801 0.39182800644379 15.999 > 11 23 O 0.28088360304804 0.19565692058801 0.10817199355621 15.999 > 12 24 O 0.78088360304804 0.19565692058801 0.10817199355621 15.999 > 12 *25 O 0.46063768547107 0.30248077043605 0.56006223183133 15.999 > 13 26 O 0.96063768547107 0.30248077043605 0.56006223183133 15.999 > 13 27 O 0.03936231452893 0.80248077043605 0.93993776816867 15.999 > 14 28 O 0.53936231452893 0.80248077043605 0.93993776816867 15.999 > 14 29 O 0.03936231452893 0.69751922956395 0.43993776816866 15.999 > 15 30 O 0.53936231452893 0.69751922956395 0.43993776816866 15.999 > 15 31 O 0.46063768547107 0.19751922956395 0.06006223183134 15.999 > 16 32 O 0.96063768547107 0.19751922956395 0.06006223183134 15.999 > 16 *33 O 0.22366083723461 0.13052872578141 0.37897805456074 15.999 > 17 34 O 0.72366083723461 0.13052872578141 0.37897805456074 15.999 > 17 35 O 0.27633916276539 0.63052872578141 0.12102194543926 15.999 > 18 36 O 0.77633916276539 0.63052872578141 0.12102194543926 15.999 > 18 37 O 0.27633916276539 0.86947127421859 0.62102194543926 15.999 > 19 38 O 0.77633916276539 0.86947127421859 0.62102194543926 15.999 > 19 39 O 0.22366083723461 0.36947127421859 0.87897805456074 15.999 > 20 40 O 0.72366083723461 0.36947127421859 0.87897805456074 15.999 > 20 *41 O 0.49311874560372 0.10189313988053 0.79652282409355 15.999 > 21 42 O 0.99311874560372 0.10189313988053 0.79652282409355 15.999 > 21 43 O 0.00688125439628 0.60189313988053 0.70347717590645 15.999 > 22 44 O 0.50688125439628 0.60189313988053 0.70347717590645 15.999 > 22 45 O 0.00688125439628 0.89810686011947 0.20347717590645 15.999 > 23 46 O 0.50688125439628 0.89810686011947 0.20347717590645 15.999 > 23 47 O 0.49311874560372 0.39810686011947 0.29652282409355 15.999 > 24 48 O 0.99311874560372 0.39810686011947 0.29652282409355 15.999 > 24 *49 O 0.25597320103718 0.06431271736433 0.80620039286682 15.999 > 25 50 O 0.75597320103718 0.06431271736433 0.80620039286682 15.999 > 25 51 O 0.24402679896282 0.56431271736433 0.69379960713318 15.999 > 26 52 O 0.74402679896282 0.56431271736433 0.69379960713318 15.999 > 26 53 O 0.24402679896282 0.93568728263567 0.19379960713318 15.999 > 27 54 O 0.74402679896282 0.93568728263567 0.19379960713318 15.999 > 27 55 O 0.25597320103718 0.43568728263567 0.30620039286682 15.999 > 28 56 O 0.75597320103718 0.43568728263567 0.30620039286682 15.999 > 28 *57 O 0.03260614357855 0.36158768410477 0.87698430753806 15.999 > 29 58 O 0.53260614357855 0.36158768410477 0.87698430753806 15.999 > 29 59 O 0.46739385642145 0.86158768410477 0.62301569246194 15.999 > 30 60 O 0.96739385642145 0.86158768410477 0.62301569246194 15.999 > 30 61 O 0.46739385642145 0.63841231589523 0.12301569246194 15.999 > 31 62 O 0.96739385642145 0.63841231589523 0.12301569246194 15.999 > 31 63 O 0.03260614357855 0.13841231589523 0.37698430753806 15.999 > 32 64 O 0.53260614357855 0.13841231589523 0.37698430753806 15.999 > 32 *65 Zn 0.21074744121508 0.31481120886874 0.44226941363111 65.380 > 33 66 Zn 0.71074744121508 0.31481120886874 0.44226941363111 65.380 > 33 67 Zn 0.28925255878492 0.81481120886874 0.05773058636889 65.380 > 34 68 Zn 0.78925255878492 0.81481120886874 0.05773058636889 65.380 > 34 69 Zn 0.28925255878492 0.68518879113126 0.55773058636889 65.380 > 35 70 Zn 0.78925255878492 0.68518879113126 0.55773058636889 65.380 > 35 71 Zn 0.21074744121508 0.18518879113126 0.94226941363111 65.380 > 36 72 Zn 0.71074744121508 0.18518879113126 0.94226941363111 65.380 > 36 *73 Zn 0.46527781605463 0.07662526898593 0.21760729088565 65.380 > 37 74 Zn 0.96527781605463 0.07662526898593 0.21760729088565 65.380 > 37 75 Zn 0.03472218394536 0.57662526898593 0.28239270911435 65.380 > 38 76 Zn 0.53472218394536 0.57662526898593 0.28239270911435 65.380 > 38 77 Zn 0.03472218394536 0.92337473101407 0.78239270911435 65.380 > 39 78 Zn 0.53472218394536 0.92337473101407 0.78239270911435 65.380 > 39 79 Zn 0.46527781605463 0.42337473101407 0.71760729088565 65.380 > 40 80 Zn 0.96527781605463 0.42337473101407 0.71760729088565 65.380 > 40 *81 As 0.21953486013255 0.58553509081909 0.25665862487953 74.922 > 41 82 As 0.71953486013255 0.58553509081909 0.25665862487953 74.922 > 41 83 As 0.28046513986745 0.08553509081909 0.24334137512047 74.922 > 42 84 As 0.78046513986745 0.08553509081909 0.24334137512047 74.922 > 42 85 As 0.28046513986745 0.41446490918091 0.74334137512047 74.922 > 43 86 As 0.78046513986745 0.41446490918091 0.74334137512047 74.922 > 43 87 As 0.21953486013255 0.91446490918091 0.75665862487953 74.922 > 44 88 As 0.71953486013255 0.91446490918091 0.75665862487953 74.922 > 44 *89 As 0.47332538543771 0.79964138860959 0.06807810818707 74.922 > 45 90 As 0.97332538543771 0.79964138860959 0.06807810818707 74.922 > 45 91 As 0.02667461456229 0.29964138860959 0.43192189181293 74.922 > 46 92 As 0.52667461456229 0.29964138860959 0.43192189181293 74.922 > 46 93 As 0.02667461456229 0.20035861139041 0.93192189181294 74.922 > 47 94 As 0.52667461456229 0.20035861139041 0.93192189181294 74.922 > 47 95 As 0.47332538543771 0.70035861139041 0.56807810818706 74.922 > 48 96 As 0.97332538543771 0.70035861139041 0.56807810818706 74.922 > 48 *97 Ba 0.37404327524077 0.08455151411266 0.60860722527802 137.327 > 49 98 Ba 0.87404327524077 0.08455151411266 0.60860722527802 137.327 > 49 99 Ba 0.12595672475923 0.58455151411266 0.89139277472198 137.327 > 50 100 Ba 0.62595672475923 0.58455151411266 0.89139277472198 137.327 > 50 101 Ba 0.12595672475923 0.91544848588734 0.39139277472198 137.327 > 51 102 Ba 0.62595672475923 0.91544848588734 0.39139277472198 137.327 > 51 103 Ba 0.37404327524077 0.41544848588734 0.10860722527802 137.327 > 52 104 Ba 0.87404327524077 0.41544848588734 0.10860722527802 137.327 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0548114 0.0000000 -0.0182657 0.0000000 3.0837211 0.0000000 -0.0182421 0.0000000 3.0089861 -------------------------- Born effective charges -------------------------- 1 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 2 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 3 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 4 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 5 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 6 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 7 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 8 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 9 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 10 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 11 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 12 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 13 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 14 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 15 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 16 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 17 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 18 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 19 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 20 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 21 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 22 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 23 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 24 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 25 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 26 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 27 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 28 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 29 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 30 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 31 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 32 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 33 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 34 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 35 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 36 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 37 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 38 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 39 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 40 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 41 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 42 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 43 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 44 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 45 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 46 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 47 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 48 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 49 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 50 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 51 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 52 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.564 Solver_block: 200 / 1600 - Time: 1.365 Solver_block: 300 / 1600 - Time: 1.342 Solver_block: 400 / 1600 - Time: 1.334 Solver_block: 500 / 1600 - Time: 1.331 Solver_block: 600 / 1600 - Time: 1.334 Solver_block: 700 / 1600 - Time: 1.355 Solver_block: 800 / 1600 - Time: 1.353 Solver_block: 900 / 1600 - Time: 1.342 Solver_block: 1000 / 1600 - Time: 1.335 Solver_block: 1100 / 1600 - Time: 1.335 Solver_block: 1200 / 1600 - Time: 1.353 Solver_block: 1300 / 1600 - Time: 2.012 Solver_block: 1400 / 1600 - Time: 2.014 Solver_block: 1500 / 1600 - Time: 2.170 Solver_block: 1600 / 1600 - Time: 1.741 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.377 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:41:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.801771395481694 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): 1 O 0.26108800260417 0.57810536941531 0.18195269560676 15.999 2 O 0.73891199739583 0.07810536941531 0.31804730439324 15.999 3 O 0.73891199739583 0.42189463058469 0.81804730439324 15.999 4 O 0.26108800260417 0.92189463058469 0.68195269560676 15.999 5 O 0.21966401137759 0.36088454133893 0.49573721976397 15.999 6 O 0.78033598862241 0.86088454133893 0.00426278023603 15.999 7 O 0.78033598862241 0.63911545866107 0.50426278023603 15.999 8 O 0.21966401137759 0.13911545866107 0.99573721976397 15.999 9 O 0.56176720609609 0.30434307941199 0.60817199355621 15.999 10 O 0.43823279390391 0.80434307941199 0.89182800644379 15.999 11 O 0.43823279390391 0.69565692058801 0.39182800644379 15.999 12 O 0.56176720609609 0.19565692058801 0.10817199355621 15.999 13 O 0.92127537094213 0.30248077043605 0.56006223183133 15.999 14 O 0.07872462905786 0.80248077043605 0.93993776816867 15.999 15 O 0.07872462905786 0.69751922956395 0.43993776816866 15.999 16 O 0.92127537094213 0.19751922956395 0.06006223183134 15.999 17 O 0.44732167446922 0.13052872578141 0.37897805456074 15.999 18 O 0.55267832553078 0.63052872578141 0.12102194543926 15.999 19 O 0.55267832553078 0.86947127421859 0.62102194543926 15.999 20 O 0.44732167446922 0.36947127421859 0.87897805456074 15.999 21 O 0.98623749120745 0.10189313988053 0.79652282409355 15.999 22 O 0.01376250879255 0.60189313988053 0.70347717590645 15.999 23 O 0.01376250879255 0.89810686011947 0.20347717590645 15.999 24 O 0.98623749120745 0.39810686011947 0.29652282409355 15.999 25 O 0.51194640207437 0.06431271736433 0.80620039286682 15.999 26 O 0.48805359792563 0.56431271736433 0.69379960713318 15.999 27 O 0.48805359792563 0.93568728263567 0.19379960713318 15.999 28 O 0.51194640207437 0.43568728263567 0.30620039286682 15.999 29 O 0.06521228715709 0.36158768410477 0.87698430753806 15.999 30 O 0.93478771284291 0.86158768410477 0.62301569246194 15.999 31 O 0.93478771284291 0.63841231589523 0.12301569246194 15.999 32 O 0.06521228715709 0.13841231589523 0.37698430753806 15.999 33 Zn 0.42149488243016 0.31481120886874 0.44226941363111 65.380 34 Zn 0.57850511756984 0.81481120886874 0.05773058636889 65.380 35 Zn 0.57850511756984 0.68518879113126 0.55773058636889 65.380 36 Zn 0.42149488243016 0.18518879113126 0.94226941363111 65.380 37 Zn 0.93055563210927 0.07662526898593 0.21760729088565 65.380 38 Zn 0.06944436789073 0.57662526898593 0.28239270911435 65.380 39 Zn 0.06944436789073 0.92337473101407 0.78239270911435 65.380 40 Zn 0.93055563210927 0.42337473101407 0.71760729088565 65.380 41 As 0.43906972026511 0.58553509081909 0.25665862487953 74.922 42 As 0.56093027973489 0.08553509081909 0.24334137512047 74.922 43 As 0.56093027973489 0.41446490918091 0.74334137512047 74.922 44 As 0.43906972026511 0.91446490918091 0.75665862487953 74.922 45 As 0.94665077087542 0.79964138860959 0.06807810818707 74.922 46 As 0.05334922912458 0.29964138860959 0.43192189181293 74.922 47 As 0.05334922912458 0.20035861139041 0.93192189181294 74.922 48 As 0.94665077087542 0.70035861139041 0.56807810818706 74.922 49 Ba 0.74808655048154 0.08455151411266 0.60860722527802 137.327 50 Ba 0.25191344951846 0.58455151411266 0.89139277472198 137.327 51 Ba 0.25191344951846 0.91544848588734 0.39139277472198 137.327 52 Ba 0.74808655048154 0.41544848588734 0.10860722527802 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.603542790963388 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): 1 O 0.13054400130209 0.57810536941531 0.18195269560676 15.999 > 1 2 O 0.63054400130209 0.57810536941531 0.18195269560676 15.999 > 1 3 O 0.36945599869791 0.07810536941531 0.31804730439324 15.999 > 3 4 O 0.86945599869791 0.07810536941531 0.31804730439324 15.999 > 3 5 O 0.36945599869791 0.42189463058469 0.81804730439324 15.999 > 5 6 O 0.86945599869791 0.42189463058469 0.81804730439324 15.999 > 5 7 O 0.13054400130209 0.92189463058469 0.68195269560676 15.999 > 7 8 O 0.63054400130209 0.92189463058469 0.68195269560676 15.999 > 7 9 O 0.10983200568879 0.36088454133893 0.49573721976397 15.999 > 9 10 O 0.60983200568879 0.36088454133893 0.49573721976397 15.999 > 9 11 O 0.39016799431121 0.86088454133893 0.00426278023603 15.999 > 11 12 O 0.89016799431121 0.86088454133893 0.00426278023603 15.999 > 11 13 O 0.39016799431121 0.63911545866107 0.50426278023603 15.999 > 13 14 O 0.89016799431121 0.63911545866107 0.50426278023603 15.999 > 13 15 O 0.10983200568879 0.13911545866107 0.99573721976397 15.999 > 15 16 O 0.60983200568879 0.13911545866107 0.99573721976397 15.999 > 15 17 O 0.28088360304804 0.30434307941199 0.60817199355621 15.999 > 17 18 O 0.78088360304804 0.30434307941199 0.60817199355621 15.999 > 17 19 O 0.21911639695196 0.80434307941199 0.89182800644379 15.999 > 19 20 O 0.71911639695196 0.80434307941199 0.89182800644379 15.999 > 19 21 O 0.21911639695196 0.69565692058801 0.39182800644379 15.999 > 21 22 O 0.71911639695196 0.69565692058801 0.39182800644379 15.999 > 21 23 O 0.28088360304804 0.19565692058801 0.10817199355621 15.999 > 23 24 O 0.78088360304804 0.19565692058801 0.10817199355621 15.999 > 23 25 O 0.46063768547107 0.30248077043605 0.56006223183133 15.999 > 25 26 O 0.96063768547107 0.30248077043605 0.56006223183133 15.999 > 25 27 O 0.03936231452893 0.80248077043605 0.93993776816867 15.999 > 27 28 O 0.53936231452893 0.80248077043605 0.93993776816867 15.999 > 27 29 O 0.03936231452893 0.69751922956395 0.43993776816866 15.999 > 29 30 O 0.53936231452893 0.69751922956395 0.43993776816866 15.999 > 29 31 O 0.46063768547107 0.19751922956395 0.06006223183134 15.999 > 31 32 O 0.96063768547107 0.19751922956395 0.06006223183134 15.999 > 31 33 O 0.22366083723461 0.13052872578141 0.37897805456074 15.999 > 33 34 O 0.72366083723461 0.13052872578141 0.37897805456074 15.999 > 33 35 O 0.27633916276539 0.63052872578141 0.12102194543926 15.999 > 35 36 O 0.77633916276539 0.63052872578141 0.12102194543926 15.999 > 35 37 O 0.27633916276539 0.86947127421859 0.62102194543926 15.999 > 37 38 O 0.77633916276539 0.86947127421859 0.62102194543926 15.999 > 37 39 O 0.22366083723461 0.36947127421859 0.87897805456074 15.999 > 39 40 O 0.72366083723461 0.36947127421859 0.87897805456074 15.999 > 39 41 O 0.49311874560372 0.10189313988053 0.79652282409355 15.999 > 41 42 O 0.99311874560372 0.10189313988053 0.79652282409355 15.999 > 41 43 O 0.00688125439628 0.60189313988053 0.70347717590645 15.999 > 43 44 O 0.50688125439628 0.60189313988053 0.70347717590645 15.999 > 43 45 O 0.00688125439628 0.89810686011947 0.20347717590645 15.999 > 45 46 O 0.50688125439628 0.89810686011947 0.20347717590645 15.999 > 45 47 O 0.49311874560372 0.39810686011947 0.29652282409355 15.999 > 47 48 O 0.99311874560372 0.39810686011947 0.29652282409355 15.999 > 47 49 O 0.25597320103718 0.06431271736433 0.80620039286682 15.999 > 49 50 O 0.75597320103718 0.06431271736433 0.80620039286682 15.999 > 49 51 O 0.24402679896282 0.56431271736433 0.69379960713318 15.999 > 51 52 O 0.74402679896282 0.56431271736433 0.69379960713318 15.999 > 51 53 O 0.24402679896282 0.93568728263567 0.19379960713318 15.999 > 53 54 O 0.74402679896282 0.93568728263567 0.19379960713318 15.999 > 53 55 O 0.25597320103718 0.43568728263567 0.30620039286682 15.999 > 55 56 O 0.75597320103718 0.43568728263567 0.30620039286682 15.999 > 55 57 O 0.03260614357855 0.36158768410477 0.87698430753806 15.999 > 57 58 O 0.53260614357855 0.36158768410477 0.87698430753806 15.999 > 57 59 O 0.46739385642145 0.86158768410477 0.62301569246194 15.999 > 59 60 O 0.96739385642145 0.86158768410477 0.62301569246194 15.999 > 59 61 O 0.46739385642145 0.63841231589523 0.12301569246194 15.999 > 61 62 O 0.96739385642145 0.63841231589523 0.12301569246194 15.999 > 61 63 O 0.03260614357855 0.13841231589523 0.37698430753806 15.999 > 63 64 O 0.53260614357855 0.13841231589523 0.37698430753806 15.999 > 63 65 Zn 0.21074744121508 0.31481120886874 0.44226941363111 65.380 > 65 66 Zn 0.71074744121508 0.31481120886874 0.44226941363111 65.380 > 65 67 Zn 0.28925255878492 0.81481120886874 0.05773058636889 65.380 > 67 68 Zn 0.78925255878492 0.81481120886874 0.05773058636889 65.380 > 67 69 Zn 0.28925255878492 0.68518879113126 0.55773058636889 65.380 > 69 70 Zn 0.78925255878492 0.68518879113126 0.55773058636889 65.380 > 69 71 Zn 0.21074744121508 0.18518879113126 0.94226941363111 65.380 > 71 72 Zn 0.71074744121508 0.18518879113126 0.94226941363111 65.380 > 71 73 Zn 0.46527781605463 0.07662526898593 0.21760729088565 65.380 > 73 74 Zn 0.96527781605463 0.07662526898593 0.21760729088565 65.380 > 73 75 Zn 0.03472218394536 0.57662526898593 0.28239270911435 65.380 > 75 76 Zn 0.53472218394536 0.57662526898593 0.28239270911435 65.380 > 75 77 Zn 0.03472218394536 0.92337473101407 0.78239270911435 65.380 > 77 78 Zn 0.53472218394536 0.92337473101407 0.78239270911435 65.380 > 77 79 Zn 0.46527781605463 0.42337473101407 0.71760729088565 65.380 > 79 80 Zn 0.96527781605463 0.42337473101407 0.71760729088565 65.380 > 79 81 As 0.21953486013255 0.58553509081909 0.25665862487953 74.922 > 81 82 As 0.71953486013255 0.58553509081909 0.25665862487953 74.922 > 81 83 As 0.28046513986745 0.08553509081909 0.24334137512047 74.922 > 83 84 As 0.78046513986745 0.08553509081909 0.24334137512047 74.922 > 83 85 As 0.28046513986745 0.41446490918091 0.74334137512047 74.922 > 85 86 As 0.78046513986745 0.41446490918091 0.74334137512047 74.922 > 85 87 As 0.21953486013255 0.91446490918091 0.75665862487953 74.922 > 87 88 As 0.71953486013255 0.91446490918091 0.75665862487953 74.922 > 87 89 As 0.47332538543771 0.79964138860959 0.06807810818707 74.922 > 89 90 As 0.97332538543771 0.79964138860959 0.06807810818707 74.922 > 89 91 As 0.02667461456229 0.29964138860959 0.43192189181293 74.922 > 91 92 As 0.52667461456229 0.29964138860959 0.43192189181293 74.922 > 91 93 As 0.02667461456229 0.20035861139041 0.93192189181294 74.922 > 93 94 As 0.52667461456229 0.20035861139041 0.93192189181294 74.922 > 93 95 As 0.47332538543771 0.70035861139041 0.56807810818706 74.922 > 95 96 As 0.97332538543771 0.70035861139041 0.56807810818706 74.922 > 95 97 Ba 0.37404327524077 0.08455151411266 0.60860722527802 137.327 > 97 98 Ba 0.87404327524077 0.08455151411266 0.60860722527802 137.327 > 97 99 Ba 0.12595672475923 0.58455151411266 0.89139277472198 137.327 > 99 100 Ba 0.62595672475923 0.58455151411266 0.89139277472198 137.327 > 99 101 Ba 0.12595672475923 0.91544848588734 0.39139277472198 137.327 > 101 102 Ba 0.62595672475923 0.91544848588734 0.39139277472198 137.327 > 101 103 Ba 0.37404327524077 0.41544848588734 0.10860722527802 137.327 > 103 104 Ba 0.87404327524077 0.41544848588734 0.10860722527802 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0548114 0.0000000 -0.0182657 0.0000000 3.0837211 0.0000000 -0.0182421 0.0000000 3.0089861 -------------------------- Born effective charges -------------------------- 1 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 2 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 3 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 4 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 5 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 6 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 7 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 8 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 9 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 10 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 11 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 12 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 13 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 14 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 15 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 16 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 17 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 18 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 19 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 20 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 21 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 22 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 23 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 24 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 25 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 26 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 27 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 28 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 29 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 30 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 31 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 32 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 33 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 34 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 35 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 36 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 37 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 38 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 39 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 40 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 41 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 42 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 43 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 44 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 45 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 46 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 47 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 48 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 49 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 50 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 51 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 52 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.801771395481694 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): 1 O 0.26108800260417 0.57810536941531 0.18195269560676 15.999 2 O 0.73891199739583 0.07810536941531 0.31804730439324 15.999 3 O 0.73891199739583 0.42189463058469 0.81804730439324 15.999 4 O 0.26108800260417 0.92189463058469 0.68195269560676 15.999 5 O 0.21966401137759 0.36088454133893 0.49573721976397 15.999 6 O 0.78033598862241 0.86088454133893 0.00426278023603 15.999 7 O 0.78033598862241 0.63911545866107 0.50426278023603 15.999 8 O 0.21966401137759 0.13911545866107 0.99573721976397 15.999 9 O 0.56176720609609 0.30434307941199 0.60817199355621 15.999 10 O 0.43823279390391 0.80434307941199 0.89182800644379 15.999 11 O 0.43823279390391 0.69565692058801 0.39182800644379 15.999 12 O 0.56176720609609 0.19565692058801 0.10817199355621 15.999 13 O 0.92127537094213 0.30248077043605 0.56006223183133 15.999 14 O 0.07872462905786 0.80248077043605 0.93993776816867 15.999 15 O 0.07872462905786 0.69751922956395 0.43993776816866 15.999 16 O 0.92127537094213 0.19751922956395 0.06006223183134 15.999 17 O 0.44732167446922 0.13052872578141 0.37897805456074 15.999 18 O 0.55267832553078 0.63052872578141 0.12102194543926 15.999 19 O 0.55267832553078 0.86947127421859 0.62102194543926 15.999 20 O 0.44732167446922 0.36947127421859 0.87897805456074 15.999 21 O 0.98623749120745 0.10189313988053 0.79652282409355 15.999 22 O 0.01376250879255 0.60189313988053 0.70347717590645 15.999 23 O 0.01376250879255 0.89810686011947 0.20347717590645 15.999 24 O 0.98623749120745 0.39810686011947 0.29652282409355 15.999 25 O 0.51194640207437 0.06431271736433 0.80620039286682 15.999 26 O 0.48805359792563 0.56431271736433 0.69379960713318 15.999 27 O 0.48805359792563 0.93568728263567 0.19379960713318 15.999 28 O 0.51194640207437 0.43568728263567 0.30620039286682 15.999 29 O 0.06521228715709 0.36158768410477 0.87698430753806 15.999 30 O 0.93478771284291 0.86158768410477 0.62301569246194 15.999 31 O 0.93478771284291 0.63841231589523 0.12301569246194 15.999 32 O 0.06521228715709 0.13841231589523 0.37698430753806 15.999 33 Zn 0.42149488243016 0.31481120886874 0.44226941363111 65.380 34 Zn 0.57850511756984 0.81481120886874 0.05773058636889 65.380 35 Zn 0.57850511756984 0.68518879113126 0.55773058636889 65.380 36 Zn 0.42149488243016 0.18518879113126 0.94226941363111 65.380 37 Zn 0.93055563210927 0.07662526898593 0.21760729088565 65.380 38 Zn 0.06944436789073 0.57662526898593 0.28239270911435 65.380 39 Zn 0.06944436789073 0.92337473101407 0.78239270911435 65.380 40 Zn 0.93055563210927 0.42337473101407 0.71760729088565 65.380 41 As 0.43906972026511 0.58553509081909 0.25665862487953 74.922 42 As 0.56093027973489 0.08553509081909 0.24334137512047 74.922 43 As 0.56093027973489 0.41446490918091 0.74334137512047 74.922 44 As 0.43906972026511 0.91446490918091 0.75665862487953 74.922 45 As 0.94665077087542 0.79964138860959 0.06807810818707 74.922 46 As 0.05334922912458 0.29964138860959 0.43192189181293 74.922 47 As 0.05334922912458 0.20035861139041 0.93192189181294 74.922 48 As 0.94665077087542 0.70035861139041 0.56807810818706 74.922 49 Ba 0.74808655048154 0.08455151411266 0.60860722527802 137.327 50 Ba 0.25191344951846 0.58455151411266 0.89139277472198 137.327 51 Ba 0.25191344951846 0.91544848588734 0.39139277472198 137.327 52 Ba 0.74808655048154 0.41544848588734 0.10860722527802 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.603542790963388 0.000000000000000 0.000000000000000 b 0.000000000000000 10.031785779999998 0.000000000000000 c -0.265432753269494 0.000000000000000 9.430881127983016 Atomic positions (fractional): 1 O 0.13054400130209 0.57810536941531 0.18195269560676 15.999 > 1 2 O 0.63054400130209 0.57810536941531 0.18195269560676 15.999 > 1 3 O 0.36945599869791 0.07810536941531 0.31804730439324 15.999 > 3 4 O 0.86945599869791 0.07810536941531 0.31804730439324 15.999 > 3 5 O 0.36945599869791 0.42189463058469 0.81804730439324 15.999 > 5 6 O 0.86945599869791 0.42189463058469 0.81804730439324 15.999 > 5 7 O 0.13054400130209 0.92189463058469 0.68195269560676 15.999 > 7 8 O 0.63054400130209 0.92189463058469 0.68195269560676 15.999 > 7 9 O 0.10983200568879 0.36088454133893 0.49573721976397 15.999 > 9 10 O 0.60983200568879 0.36088454133893 0.49573721976397 15.999 > 9 11 O 0.39016799431121 0.86088454133893 0.00426278023603 15.999 > 11 12 O 0.89016799431121 0.86088454133893 0.00426278023603 15.999 > 11 13 O 0.39016799431121 0.63911545866107 0.50426278023603 15.999 > 13 14 O 0.89016799431121 0.63911545866107 0.50426278023603 15.999 > 13 15 O 0.10983200568879 0.13911545866107 0.99573721976397 15.999 > 15 16 O 0.60983200568879 0.13911545866107 0.99573721976397 15.999 > 15 17 O 0.28088360304804 0.30434307941199 0.60817199355621 15.999 > 17 18 O 0.78088360304804 0.30434307941199 0.60817199355621 15.999 > 17 19 O 0.21911639695196 0.80434307941199 0.89182800644379 15.999 > 19 20 O 0.71911639695196 0.80434307941199 0.89182800644379 15.999 > 19 21 O 0.21911639695196 0.69565692058801 0.39182800644379 15.999 > 21 22 O 0.71911639695196 0.69565692058801 0.39182800644379 15.999 > 21 23 O 0.28088360304804 0.19565692058801 0.10817199355621 15.999 > 23 24 O 0.78088360304804 0.19565692058801 0.10817199355621 15.999 > 23 25 O 0.46063768547107 0.30248077043605 0.56006223183133 15.999 > 25 26 O 0.96063768547107 0.30248077043605 0.56006223183133 15.999 > 25 27 O 0.03936231452893 0.80248077043605 0.93993776816867 15.999 > 27 28 O 0.53936231452893 0.80248077043605 0.93993776816867 15.999 > 27 29 O 0.03936231452893 0.69751922956395 0.43993776816866 15.999 > 29 30 O 0.53936231452893 0.69751922956395 0.43993776816866 15.999 > 29 31 O 0.46063768547107 0.19751922956395 0.06006223183134 15.999 > 31 32 O 0.96063768547107 0.19751922956395 0.06006223183134 15.999 > 31 33 O 0.22366083723461 0.13052872578141 0.37897805456074 15.999 > 33 34 O 0.72366083723461 0.13052872578141 0.37897805456074 15.999 > 33 35 O 0.27633916276539 0.63052872578141 0.12102194543926 15.999 > 35 36 O 0.77633916276539 0.63052872578141 0.12102194543926 15.999 > 35 37 O 0.27633916276539 0.86947127421859 0.62102194543926 15.999 > 37 38 O 0.77633916276539 0.86947127421859 0.62102194543926 15.999 > 37 39 O 0.22366083723461 0.36947127421859 0.87897805456074 15.999 > 39 40 O 0.72366083723461 0.36947127421859 0.87897805456074 15.999 > 39 41 O 0.49311874560372 0.10189313988053 0.79652282409355 15.999 > 41 42 O 0.99311874560372 0.10189313988053 0.79652282409355 15.999 > 41 43 O 0.00688125439628 0.60189313988053 0.70347717590645 15.999 > 43 44 O 0.50688125439628 0.60189313988053 0.70347717590645 15.999 > 43 45 O 0.00688125439628 0.89810686011947 0.20347717590645 15.999 > 45 46 O 0.50688125439628 0.89810686011947 0.20347717590645 15.999 > 45 47 O 0.49311874560372 0.39810686011947 0.29652282409355 15.999 > 47 48 O 0.99311874560372 0.39810686011947 0.29652282409355 15.999 > 47 49 O 0.25597320103718 0.06431271736433 0.80620039286682 15.999 > 49 50 O 0.75597320103718 0.06431271736433 0.80620039286682 15.999 > 49 51 O 0.24402679896282 0.56431271736433 0.69379960713318 15.999 > 51 52 O 0.74402679896282 0.56431271736433 0.69379960713318 15.999 > 51 53 O 0.24402679896282 0.93568728263567 0.19379960713318 15.999 > 53 54 O 0.74402679896282 0.93568728263567 0.19379960713318 15.999 > 53 55 O 0.25597320103718 0.43568728263567 0.30620039286682 15.999 > 55 56 O 0.75597320103718 0.43568728263567 0.30620039286682 15.999 > 55 57 O 0.03260614357855 0.36158768410477 0.87698430753806 15.999 > 57 58 O 0.53260614357855 0.36158768410477 0.87698430753806 15.999 > 57 59 O 0.46739385642145 0.86158768410477 0.62301569246194 15.999 > 59 60 O 0.96739385642145 0.86158768410477 0.62301569246194 15.999 > 59 61 O 0.46739385642145 0.63841231589523 0.12301569246194 15.999 > 61 62 O 0.96739385642145 0.63841231589523 0.12301569246194 15.999 > 61 63 O 0.03260614357855 0.13841231589523 0.37698430753806 15.999 > 63 64 O 0.53260614357855 0.13841231589523 0.37698430753806 15.999 > 63 65 Zn 0.21074744121508 0.31481120886874 0.44226941363111 65.380 > 65 66 Zn 0.71074744121508 0.31481120886874 0.44226941363111 65.380 > 65 67 Zn 0.28925255878492 0.81481120886874 0.05773058636889 65.380 > 67 68 Zn 0.78925255878492 0.81481120886874 0.05773058636889 65.380 > 67 69 Zn 0.28925255878492 0.68518879113126 0.55773058636889 65.380 > 69 70 Zn 0.78925255878492 0.68518879113126 0.55773058636889 65.380 > 69 71 Zn 0.21074744121508 0.18518879113126 0.94226941363111 65.380 > 71 72 Zn 0.71074744121508 0.18518879113126 0.94226941363111 65.380 > 71 73 Zn 0.46527781605463 0.07662526898593 0.21760729088565 65.380 > 73 74 Zn 0.96527781605463 0.07662526898593 0.21760729088565 65.380 > 73 75 Zn 0.03472218394536 0.57662526898593 0.28239270911435 65.380 > 75 76 Zn 0.53472218394536 0.57662526898593 0.28239270911435 65.380 > 75 77 Zn 0.03472218394536 0.92337473101407 0.78239270911435 65.380 > 77 78 Zn 0.53472218394536 0.92337473101407 0.78239270911435 65.380 > 77 79 Zn 0.46527781605463 0.42337473101407 0.71760729088565 65.380 > 79 80 Zn 0.96527781605463 0.42337473101407 0.71760729088565 65.380 > 79 81 As 0.21953486013255 0.58553509081909 0.25665862487953 74.922 > 81 82 As 0.71953486013255 0.58553509081909 0.25665862487953 74.922 > 81 83 As 0.28046513986745 0.08553509081909 0.24334137512047 74.922 > 83 84 As 0.78046513986745 0.08553509081909 0.24334137512047 74.922 > 83 85 As 0.28046513986745 0.41446490918091 0.74334137512047 74.922 > 85 86 As 0.78046513986745 0.41446490918091 0.74334137512047 74.922 > 85 87 As 0.21953486013255 0.91446490918091 0.75665862487953 74.922 > 87 88 As 0.71953486013255 0.91446490918091 0.75665862487953 74.922 > 87 89 As 0.47332538543771 0.79964138860959 0.06807810818707 74.922 > 89 90 As 0.97332538543771 0.79964138860959 0.06807810818707 74.922 > 89 91 As 0.02667461456229 0.29964138860959 0.43192189181293 74.922 > 91 92 As 0.52667461456229 0.29964138860959 0.43192189181293 74.922 > 91 93 As 0.02667461456229 0.20035861139041 0.93192189181294 74.922 > 93 94 As 0.52667461456229 0.20035861139041 0.93192189181294 74.922 > 93 95 As 0.47332538543771 0.70035861139041 0.56807810818706 74.922 > 95 96 As 0.97332538543771 0.70035861139041 0.56807810818706 74.922 > 95 97 Ba 0.37404327524077 0.08455151411266 0.60860722527802 137.327 > 97 98 Ba 0.87404327524077 0.08455151411266 0.60860722527802 137.327 > 97 99 Ba 0.12595672475923 0.58455151411266 0.89139277472198 137.327 > 99 100 Ba 0.62595672475923 0.58455151411266 0.89139277472198 137.327 > 99 101 Ba 0.12595672475923 0.91544848588734 0.39139277472198 137.327 > 101 102 Ba 0.62595672475923 0.91544848588734 0.39139277472198 137.327 > 101 103 Ba 0.37404327524077 0.41544848588734 0.10860722527802 137.327 > 103 104 Ba 0.87404327524077 0.41544848588734 0.10860722527802 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0548114 0.0000000 -0.0182657 0.0000000 3.0837211 0.0000000 -0.0182421 0.0000000 3.0089861 -------------------------- Born effective charges -------------------------- 1 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 2 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 3 O -2.3926159 -0.0402721 -0.2024190 -0.0188035 -0.9830932 0.0044043 -0.1422793 -0.0755110 -1.7197103 4 O -2.3926159 0.0402721 -0.2024190 0.0188035 -0.9830932 -0.0044043 -0.1422793 0.0755110 -1.7197103 5 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 6 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 7 O -2.4674018 -0.2096258 -0.1697235 -0.1762296 -1.1195184 0.0052421 -0.0734586 -0.1105264 -1.0733572 8 O -2.4674018 0.2096258 -0.1697235 0.1762296 -1.1195184 -0.0052421 -0.0734586 0.1105264 -1.0733572 9 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 10 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 11 O -1.3091323 0.1458456 -0.3112885 0.2109385 -1.6776310 -0.4064872 -0.2908432 -0.5782387 -2.0260511 12 O -1.3091323 -0.1458456 -0.3112885 -0.2109385 -1.6776310 0.4064872 -0.2908432 0.5782387 -2.0260511 13 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 14 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 15 O -1.6124162 -0.2117638 0.6408171 -0.1434315 -1.4550399 -0.1394465 0.7802066 -0.2264362 -2.0347926 16 O -1.6124162 0.2117638 0.6408171 0.1434315 -1.4550399 0.1394465 0.7802066 0.2264362 -2.0347926 17 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 18 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 19 O -1.6594120 0.1610202 0.4955222 0.1010250 -1.8531213 -0.4446712 0.5136776 -0.3689951 -1.7401886 20 O -1.6594120 -0.1610202 0.4955222 -0.1010250 -1.8531213 0.4446712 0.5136776 0.3689951 -1.7401886 21 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 22 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 23 O -1.3442597 0.0078538 -0.3917481 -0.0950191 -2.0443880 -0.6578259 -0.4398052 -0.4731752 -1.7466989 24 O -1.3442597 -0.0078538 -0.3917481 0.0950191 -2.0443880 0.6578259 -0.4398052 0.4731752 -1.7466989 25 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 26 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 27 O -1.3598789 -0.1694286 0.2263889 -0.2223759 -2.1544410 -0.5218697 0.2123194 -0.4255804 -1.4298307 28 O -1.3598789 0.1694286 0.2263889 0.2223759 -2.1544410 0.5218697 0.2123194 0.4255804 -1.4298307 29 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 30 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 31 O -1.3611306 0.0354204 -0.2184855 -0.1327376 -2.4152232 0.4783915 -0.1330910 0.5804245 -1.4983261 32 O -1.3611306 -0.0354204 -0.2184855 0.1327376 -2.4152232 -0.4783915 -0.1330910 -0.5804245 -1.4983261 33 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 34 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 35 Zn 2.2033833 -0.3086604 -0.0264220 0.2040057 2.1486618 -0.1190308 0.2160120 0.1111150 2.1003340 36 Zn 2.2033833 0.3086604 -0.0264220 -0.2040057 2.1486618 0.1190308 0.2160120 -0.1111150 2.1003340 37 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 38 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 39 Zn 2.0054127 0.1247826 -0.2650243 0.0291639 2.1654706 0.2209475 0.0334844 -0.0106514 2.0815790 40 Zn 2.0054127 -0.1247826 -0.2650243 -0.0291639 2.1654706 -0.2209475 0.0334844 0.0106514 2.0815790 41 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 42 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 43 As 3.2569828 0.1321882 0.1129803 -0.1225575 3.1152215 -0.1868698 -0.1486513 0.2058639 3.2605800 44 As 3.2569828 -0.1321882 0.1129803 0.1225575 3.1152215 0.1868698 -0.1486513 -0.2058639 3.2605800 45 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 46 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 47 As 3.1594790 -0.4168970 0.0292774 0.2285751 3.4088816 0.2340839 -0.5282095 -0.1828645 3.2504719 48 As 3.1594790 0.4168970 0.0292774 -0.2285751 3.4088816 -0.2340839 -0.5282095 0.1828645 3.2504719 49 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 50 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 51 Ba 2.8809894 0.1519038 0.0801250 0.0845812 2.8642207 -0.2345067 0.0006381 -0.2475874 2.5759907 52 Ba 2.8809894 -0.1519038 0.0801250 -0.0845812 2.8642207 0.2345067 0.0006381 0.2475874 2.5759907 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 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 1.262 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.281 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.707 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.706 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.327 ( 0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 0.000) 0.000 15.678 ( 0.000 0.000 0.000) 0.000 15.722 ( 0.000 0.000 0.000) 0.000 22.046 ( 0.000 0.000 0.000) 0.000 22.085 ( 0.000 0.000 0.000) 0.000 22.345 ( 0.000 0.000 0.000) 0.000 22.450 ( 0.000 0.000 0.000) 0.000 22.499 ( 0.000 0.000 0.000) 0.000 22.587 ( 0.000 0.000 0.000) 0.000 22.719 ( 0.000 0.000 0.000) 0.000 22.760 ( 0.000 0.000 0.000) 0.000 22.832 ( 0.000 0.000 0.000) 0.000 23.050 ( 0.000 0.000 0.000) 0.000 23.298 ( 0.000 0.000 0.000) 0.000 23.351 ( 0.000 0.000 0.000) 0.000 23.382 ( 0.000 0.000 0.000) 0.000 23.443 ( 0.000 0.000 0.000) 0.000 23.710 ( 0.000 0.000 0.000) 0.000 23.824 ( 0.000 0.000 0.000) 0.000 23.880 ( 0.000 0.000 0.000) 0.000 23.980 ( 0.000 0.000 0.000) 0.000 23.980 ( 0.000 0.000 0.000) 0.000 24.124 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.227 ( 0.000 0.000 0.000) 0.000 24.236 ( 0.000 0.000 0.000) 0.000 24.276 ( 0.000 0.000 0.000) 0.000 24.290 ( 0.000 0.000 0.000) 0.000 24.566 ( 0.000 0.000 0.000) 0.000 24.569 ( 0.000 0.000 0.000) 0.000 24.811 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 25.301 ( 0.000 0.000 0.000) 0.000 25.337 ( 0.000 0.000 0.000) 0.000 25.371 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 17.881 0.000 7.186) 19.271 0.456 ( 24.076 0.000 -5.751) 24.753 0.832 ( 41.003 0.000 -2.280) 41.067 1.262 ( -2.927 0.000 2.337) 3.746 1.314 ( 2.340 0.000 2.885) 3.715 1.551 ( 12.651 0.000 -5.115) 13.646 1.628 ( -1.424 0.000 2.086) 2.526 1.653 ( 7.653 0.000 5.800) 9.602 1.762 ( 2.418 0.000 7.126) 7.525 1.823 ( 0.980 0.000 0.064) 0.982 1.884 ( -0.342 0.000 -3.141) 3.160 1.947 ( 0.475 0.000 -5.080) 5.103 2.121 ( -5.546 0.000 -0.283) 5.553 2.191 ( -3.712 0.000 1.491) 4.000 2.195 ( -7.678 0.000 -0.200) 7.680 2.315 ( -5.602 0.000 3.846) 6.795 2.355 ( -15.948 0.000 5.766) 16.959 2.392 ( -1.847 0.000 -4.599) 4.956 2.500 ( -2.527 0.000 -3.081) 3.985 2.547 ( 5.335 0.000 -4.388) 6.908 2.633 ( -1.120 0.000 4.345) 4.487 2.685 ( -0.590 0.000 3.397) 3.448 2.744 ( -1.950 0.000 -1.720) 2.600 2.805 ( 0.670 0.000 -8.612) 8.638 2.812 ( -2.483 0.000 -0.064) 2.484 2.897 ( 8.831 0.000 -2.655) 9.221 2.931 ( 2.118 0.000 9.195) 9.436 3.005 ( -1.357 0.000 1.128) 1.764 3.052 ( -3.043 0.000 -0.178) 3.048 3.140 ( 1.883 0.000 -0.384) 1.922 3.195 ( -2.131 0.000 -1.877) 2.840 3.249 ( -2.068 0.000 -1.612) 2.622 3.427 ( 2.681 0.000 3.547) 4.447 3.513 ( -2.148 0.000 -4.673) 5.143 3.547 ( -5.961 0.000 1.103) 6.062 3.653 ( 1.382 0.000 2.805) 3.127 3.749 ( 0.518 0.000 -6.193) 6.214 3.801 ( -6.861 0.000 7.360) 10.062 3.863 ( 4.882 0.000 4.314) 6.515 3.890 ( -0.631 0.000 -0.985) 1.170 3.919 ( 2.638 0.000 -1.819) 3.204 3.994 ( -0.574 0.000 1.689) 1.784 4.007 ( 1.304 0.000 0.336) 1.346 4.091 ( -0.168 0.000 -2.768) 2.773 4.158 ( 2.423 0.000 -6.368) 6.814 4.238 ( 6.206 0.000 0.392) 6.218 4.360 ( -11.686 0.000 1.053) 11.734 4.395 ( 1.672 0.000 0.929) 1.913 4.567 ( -1.972 0.000 -4.054) 4.508 4.570 ( 0.158 0.000 -1.804) 1.811 4.647 ( -3.299 0.000 0.924) 3.426 4.682 ( 1.498 0.000 3.469) 3.779 4.721 ( -5.178 0.000 -1.083) 5.290 5.105 ( -0.537 0.000 1.354) 1.457 5.179 ( 1.106 0.000 2.803) 3.014 5.280 ( 5.265 0.000 0.996) 5.358 5.321 ( 5.297 0.000 -4.788) 7.140 5.343 ( 2.762 0.000 1.186) 3.006 5.500 ( 1.326 0.000 -2.463) 2.797 5.548 ( 1.292 0.000 2.160) 2.517 5.903 ( 0.191 0.000 -0.945) 0.964 5.908 ( -3.035 0.000 2.155) 3.722 5.981 ( -1.686 0.000 0.750) 1.845 6.292 ( 6.246 0.000 -1.205) 6.361 6.309 ( -3.042 0.000 0.119) 3.044 6.635 ( -0.819 0.000 0.816) 1.156 6.672 ( -3.890 0.000 6.376) 7.469 6.696 ( -1.163 0.000 1.497) 1.896 6.834 ( 1.647 0.000 13.970) 14.066 7.106 ( -0.079 0.000 -1.136) 1.139 7.172 ( -0.549 0.000 -7.929) 7.948 7.221 ( 0.994 0.000 -0.641) 1.182 7.710 ( 1.050 0.000 1.409) 1.757 7.756 ( -1.084 0.000 -1.038) 1.500 7.880 ( 2.380 0.000 -0.648) 2.466 7.988 ( -0.700 0.000 0.444) 0.829 8.061 ( -0.221 0.000 -7.953) 7.956 8.184 ( -1.720 0.000 5.196) 5.473 8.273 ( 1.064 0.000 -5.635) 5.735 8.584 ( 0.800 0.000 0.544) 0.967 8.851 ( 0.291 0.000 0.028) 0.292 9.115 ( -0.767 0.000 1.784) 1.942 9.131 ( -0.143 0.000 -1.230) 1.238 9.178 ( 1.488 0.000 -2.313) 2.750 9.379 ( -0.270 0.000 0.618) 0.675 9.418 ( 1.260 0.000 -1.368) 1.859 9.536 ( -0.488 0.000 2.138) 2.193 9.570 ( -1.135 0.000 1.115) 1.591 9.591 ( -0.079 0.000 0.615) 0.620 9.766 ( -0.760 0.000 1.118) 1.351 9.954 ( 0.235 0.000 -2.685) 2.695 9.988 ( -0.429 0.000 -2.043) 2.087 11.759 ( 0.502 0.000 -0.090) 0.510 11.823 ( 0.281 0.000 0.626) 0.686 11.895 ( 0.087 0.000 -0.827) 0.832 11.923 ( 0.835 0.000 0.385) 0.920 11.963 ( -0.978 0.000 -0.356) 1.041 12.104 ( -2.171 0.000 -0.429) 2.213 12.175 ( -1.896 0.000 -7.517) 7.753 12.282 ( -0.025 0.000 0.002) 0.025 12.845 ( -1.084 0.000 -1.335) 1.719 12.859 ( 1.554 0.000 1.229) 1.982 12.921 ( 2.995 0.000 0.320) 3.012 12.999 ( 1.624 0.000 0.620) 1.739 13.092 ( 0.917 0.000 -0.569) 1.079 13.179 ( -2.404 0.000 9.170) 9.480 13.246 ( 0.347 0.000 -0.547) 0.648 13.457 ( 2.808 0.000 0.355) 2.831 13.650 ( -0.657 0.000 1.750) 1.870 13.704 ( -0.481 0.000 1.625) 1.694 13.720 ( -0.019 0.000 -1.028) 1.028 13.724 ( 0.284 0.000 -3.494) 3.505 13.855 ( 0.825 0.000 -0.102) 0.831 13.921 ( 0.862 0.000 -2.215) 2.376 14.055 ( -4.420 0.000 0.696) 4.475 14.394 ( 6.754 0.000 -4.155) 7.930 14.623 ( -1.535 0.000 2.935) 3.312 14.730 ( 2.420 0.000 -2.422) 3.424 15.131 ( -1.902 0.000 -0.727) 2.036 15.329 ( -2.815 0.000 1.402) 3.145 15.362 ( 2.978 0.000 0.066) 2.979 15.590 ( 0.492 0.000 13.719) 13.728 15.650 ( -2.802 0.000 0.736) 2.897 15.713 ( -0.946 0.000 -6.205) 6.277 22.046 ( -0.063 0.000 0.032) 0.071 22.085 ( -0.032 0.000 -0.272) 0.274 22.351 ( -0.677 0.000 -4.695) 4.744 22.455 ( -0.158 0.000 -0.288) 0.329 22.495 ( 0.449 0.000 -0.542) 0.704 22.586 ( -0.086 0.000 -0.488) 0.496 22.720 ( -0.312 0.000 1.827) 1.854 22.832 ( 0.023 0.000 -0.102) 0.104 22.891 ( 0.763 0.000 -12.487) 12.511 23.236 ( -5.351 0.000 -1.042) 5.452 23.242 ( -5.659 0.000 -5.949) 8.211 23.342 ( -1.002 0.000 1.062) 1.461 23.447 ( 0.416 0.000 0.615) 0.742 23.523 ( 7.223 0.000 -5.107) 8.846 23.763 ( -3.978 0.000 -3.737) 5.459 23.906 ( 0.737 0.000 1.736) 1.885 23.950 ( -1.494 0.000 1.540) 2.145 24.030 ( 3.101 0.000 0.479) 3.137 24.114 ( 0.347 0.000 -9.437) 9.443 24.125 ( 0.246 0.000 0.606) 0.654 24.157 ( 1.283 0.000 -0.554) 1.397 24.231 ( 0.304 0.000 0.309) 0.433 24.237 ( -0.218 0.000 0.031) 0.221 24.301 ( 0.903 0.000 -1.970) 2.167 24.482 ( -3.461 0.000 6.027) 6.950 24.585 ( 2.146 0.000 -1.556) 2.651 24.734 ( -5.790 0.000 12.971) 14.204 24.822 ( 0.537 0.000 3.513) 3.554 25.230 ( -0.638 0.000 -0.344) 0.725 25.366 ( 2.484 0.000 -1.293) 2.801 25.392 ( 8.078 0.000 -1.323) 8.186 25.873 ( -2.406 0.000 5.552) 6.051 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 16.648 0.000 6.103) 17.732 0.902 ( 23.181 0.000 -4.769) 23.666 1.125 ( -5.432 0.000 -0.951) 5.514 1.391 ( 5.008 0.000 4.596) 6.797 1.542 ( 21.540 0.000 -2.923) 21.737 1.593 ( -2.809 0.000 -0.001) 2.809 1.712 ( -10.855 0.000 8.303) 13.667 1.783 ( 5.945 0.000 -2.063) 6.293 1.831 ( 6.643 0.000 3.049) 7.309 1.861 ( -2.647 0.000 -0.045) 2.647 1.882 ( 8.441 0.000 -3.586) 9.171 1.973 ( 11.980 0.000 -2.322) 12.203 1.991 ( 0.406 0.000 0.639) 0.757 2.070 ( -12.495 0.000 0.713) 12.515 2.106 ( -2.158 0.000 4.410) 4.909 2.206 ( -4.783 0.000 0.966) 4.879 2.238 ( 2.233 0.000 -3.256) 3.948 2.311 ( -4.166 0.000 -2.240) 4.730 2.454 ( -1.213 0.000 0.025) 1.213 2.629 ( -2.588 0.000 9.027) 9.391 2.640 ( -5.103 0.000 -2.008) 5.484 2.657 ( 0.660 0.000 2.370) 2.460 2.657 ( 4.376 0.000 -3.089) 5.356 2.787 ( -2.817 0.000 3.457) 4.460 2.793 ( -2.212 0.000 -8.039) 8.338 2.910 ( -5.331 0.000 -0.710) 5.378 2.975 ( 0.516 0.000 -0.447) 0.682 3.015 ( 4.432 0.000 -3.759) 5.811 3.027 ( 1.276 0.000 -1.493) 1.964 3.101 ( -8.410 0.000 2.854) 8.881 3.193 ( -4.119 0.000 -0.307) 4.131 3.196 ( 3.110 0.000 2.191) 3.804 3.409 ( -9.131 0.000 1.214) 9.211 3.457 ( -3.612 0.000 -4.427) 5.713 3.546 ( 3.549 0.000 2.962) 4.623 3.623 ( -2.992 0.000 0.544) 3.041 3.660 ( 0.383 0.000 -1.304) 1.359 3.750 ( -1.336 0.000 -1.106) 1.735 3.870 ( 0.386 0.000 3.148) 3.171 3.958 ( -1.184 0.000 5.312) 5.442 3.968 ( 1.138 0.000 1.175) 1.636 3.997 ( 3.772 0.000 -2.324) 4.430 4.002 ( -1.271 0.000 -3.855) 4.059 4.099 ( 0.563 0.000 -0.003) 0.563 4.153 ( -1.445 0.000 -3.119) 3.438 4.264 ( 2.132 0.000 -1.549) 2.636 4.277 ( -1.085 0.000 -0.068) 1.088 4.476 ( 3.108 0.000 1.043) 3.279 4.552 ( 2.581 0.000 -3.843) 4.630 4.553 ( -6.744 0.000 1.586) 6.928 4.567 ( 0.036 0.000 -1.527) 1.527 4.644 ( -2.409 0.000 -0.535) 2.468 4.712 ( 1.275 0.000 2.017) 2.386 5.104 ( 0.385 0.000 -0.105) 0.399 5.190 ( -0.271 0.000 3.655) 3.665 5.334 ( 0.959 0.000 1.269) 1.591 5.424 ( 5.050 0.000 -0.559) 5.081 5.446 ( 7.296 0.000 -6.382) 9.693 5.535 ( 2.461 0.000 -2.088) 3.227 5.555 ( -1.017 0.000 1.909) 2.164 5.834 ( -4.662 0.000 4.147) 6.240 5.922 ( 1.437 0.000 -0.718) 1.606 5.934 ( -3.131 0.000 0.957) 3.274 6.244 ( -3.113 0.000 -0.060) 3.113 6.417 ( 5.298 0.000 -0.822) 5.361 6.616 ( -1.011 0.000 0.857) 1.325 6.632 ( 0.259 0.000 1.506) 1.528 6.675 ( -0.954 0.000 1.475) 1.757 6.837 ( -1.849 0.000 4.576) 4.936 7.102 ( -0.242 0.000 -1.139) 1.164 7.156 ( -0.644 0.000 -2.903) 2.974 7.239 ( 0.817 0.000 -0.218) 0.846 7.733 ( 1.058 0.000 1.378) 1.737 7.743 ( -0.282 0.000 -0.504) 0.578 7.924 ( 2.021 0.000 -0.090) 2.023 7.973 ( -0.755 0.000 0.445) 0.876 8.050 ( -0.536 0.000 -2.661) 2.714 8.162 ( -0.781 0.000 3.569) 3.653 8.282 ( 0.186 0.000 -4.046) 4.050 8.600 ( 0.692 0.000 0.552) 0.886 8.857 ( 0.276 0.000 0.039) 0.279 9.112 ( 0.246 0.000 1.051) 1.079 9.126 ( -0.310 0.000 -0.645) 0.716 9.194 ( 0.389 0.000 -1.546) 1.595 9.376 ( -0.021 0.000 0.648) 0.648 9.448 ( 1.825 0.000 -2.119) 2.797 9.527 ( -0.431 0.000 0.698) 0.821 9.546 ( -1.437 0.000 1.673) 2.205 9.588 ( -0.219 0.000 0.764) 0.795 9.751 ( -0.757 0.000 1.121) 1.352 9.952 ( -0.374 0.000 0.809) 0.892 9.981 ( 0.005 0.000 -2.567) 2.567 11.770 ( 0.591 0.000 -0.137) 0.606 11.831 ( 0.500 0.000 1.072) 1.183 11.893 ( -0.247 0.000 -1.019) 1.048 11.943 ( 1.170 0.000 0.591) 1.311 11.944 ( -0.693 0.000 -0.217) 0.726 12.057 ( -2.347 0.000 -0.554) 2.411 12.132 ( -1.943 0.000 -2.822) 3.426 12.280 ( -0.140 0.000 -0.016) 0.141 12.825 ( -0.822 0.000 -0.621) 1.030 12.895 ( 1.901 0.000 0.623) 2.000 12.980 ( 2.680 0.000 -0.881) 2.821 13.031 ( 1.584 0.000 1.080) 1.917 13.086 ( -1.621 0.000 1.329) 2.096 13.160 ( 0.314 0.000 2.109) 2.132 13.253 ( 0.332 0.000 -0.582) 0.670 13.495 ( 0.887 0.000 0.626) 1.086 13.654 ( 0.987 0.000 0.941) 1.364 13.689 ( -0.890 0.000 1.504) 1.748 13.725 ( 0.007 0.000 -1.271) 1.271 13.733 ( 1.240 0.000 -1.231) 1.748 13.869 ( 0.581 0.000 -0.184) 0.610 13.939 ( 0.938 0.000 -0.442) 1.037 13.982 ( -3.156 0.000 0.319) 3.173 14.467 ( 0.316 0.000 -1.819) 1.846 14.636 ( 3.250 0.000 0.899) 3.373 14.786 ( 3.188 0.000 -2.851) 4.277 15.099 ( -1.242 0.000 -0.227) 1.263 15.264 ( -3.576 0.000 1.758) 3.985 15.419 ( 2.743 0.000 -0.094) 2.745 15.584 ( -3.705 0.000 0.843) 3.800 15.614 ( 1.326 0.000 6.329) 6.467 15.685 ( -1.634 0.000 -3.964) 4.288 22.044 ( -0.046 0.000 0.035) 0.058 22.084 ( -0.025 0.000 -0.278) 0.279 22.333 ( -0.876 0.000 -1.230) 1.511 22.435 ( -1.302 0.000 -0.185) 1.315 22.536 ( 3.497 0.000 -1.269) 3.720 22.585 ( 0.068 0.000 -0.476) 0.480 22.693 ( -2.910 0.000 2.585) 3.892 22.833 ( 0.044 0.000 -0.120) 0.128 22.899 ( 0.532 0.000 -4.333) 4.366 23.141 ( -3.754 0.000 -0.935) 3.869 23.159 ( -2.848 0.000 -1.662) 3.297 23.320 ( -1.129 0.000 0.903) 1.445 23.457 ( 0.528 0.000 0.381) 0.651 23.622 ( 3.206 0.000 -0.962) 3.347 23.698 ( -2.438 0.000 -2.526) 3.511 23.897 ( -1.307 0.000 0.480) 1.392 23.937 ( 0.027 0.000 1.109) 1.109 24.082 ( 2.122 0.000 0.695) 2.233 24.114 ( 0.054 0.000 -3.156) 3.157 24.132 ( 0.304 0.000 0.442) 0.537 24.194 ( 2.464 0.000 -1.437) 2.852 24.227 ( -0.592 0.000 -0.654) 0.882 24.239 ( 0.558 0.000 0.382) 0.677 24.306 ( -0.243 0.000 -0.976) 1.006 24.417 ( -2.903 0.000 0.110) 2.905 24.634 ( -4.821 0.000 6.628) 8.196 24.653 ( 4.687 0.000 -2.089) 5.131 24.817 ( -1.492 0.000 3.718) 4.006 25.226 ( 0.128 0.000 -0.249) 0.280 25.410 ( 1.900 0.000 -1.196) 2.245 25.555 ( 8.595 0.000 -2.371) 8.916 25.809 ( -4.587 0.000 3.669) 5.874 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.278 ( -0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 -0.000) 0.000 1.708 ( 0.000 0.000 -0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 -0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 -0.000) 0.000 2.068 ( 0.000 0.000 -0.000) 0.000 2.076 ( 0.000 0.000 -0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 -0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.433 ( -0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 -0.000) 0.000 2.579 ( 0.000 0.000 -0.000) 0.000 2.705 ( -0.000 0.000 -0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 -0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.959 ( -0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 -0.000) 0.000 3.015 ( -0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 -0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 -0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 3.884 ( 0.000 0.000 -0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 -0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.049 ( -0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 -0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 -0.000) 0.000 4.466 ( 0.000 0.000 -0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 -0.000) 0.000 4.605 ( -0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 -0.000) 0.000 4.725 ( 0.000 0.000 -0.000) 0.000 5.112 ( 0.000 0.000 -0.000) 0.000 5.183 ( -0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 -0.000) 0.000 5.524 ( -0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 -0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 -0.000) 0.000 5.894 ( 0.000 0.000 -0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 -0.000) 0.000 6.460 ( 0.000 0.000 -0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 -0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 -0.000) 0.000 7.149 ( 0.000 0.000 -0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 -0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 -0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 -0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 -0.000) 0.000 9.117 ( 0.000 0.000 -0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 -0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.523 ( 0.000 0.000 -0.000) 0.000 9.528 ( 0.000 0.000 -0.000) 0.000 9.586 ( 0.000 0.000 -0.000) 0.000 9.743 ( 0.000 0.000 -0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 -0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 -0.000) 0.000 11.889 ( 0.000 0.000 -0.000) 0.000 11.939 ( 0.000 0.000 -0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.111 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 -0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 12.917 ( 0.000 0.000 -0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 -0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 -0.000) 0.000 13.256 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 -0.000) 0.000 13.668 ( 0.000 0.000 -0.000) 0.000 13.680 ( 0.000 0.000 -0.000) 0.000 13.724 ( 0.000 0.000 -0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 13.875 ( 0.000 0.000 -0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.459 ( 0.000 0.000 -0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 14.822 ( 0.000 0.000 -0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 -0.000) 0.000 15.639 ( -0.000 0.000 -0.000) 0.000 15.657 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.084 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.421 ( 0.000 0.000 -0.000) 0.000 22.586 ( 0.000 0.000 -0.000) 0.000 22.602 ( -0.000 0.000 0.000) 0.000 22.631 ( 0.000 0.000 -0.000) 0.000 22.833 ( 0.000 0.000 -0.000) 0.000 22.904 ( 0.000 0.000 0.000) 0.000 23.106 ( 0.000 0.000 0.000) 0.000 23.132 ( 0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 0.000) 0.000 23.463 ( 0.000 0.000 0.000) 0.000 23.650 ( 0.000 0.000 0.000) 0.000 23.674 ( 0.000 0.000 0.000) 0.000 23.882 ( 0.000 0.000 0.000) 0.000 23.939 ( 0.000 0.000 -0.000) 0.000 24.104 ( 0.000 0.000 -0.000) 0.000 24.114 ( 0.000 0.000 0.000) 0.000 24.135 ( 0.000 0.000 0.000) 0.000 24.221 ( 0.000 0.000 -0.000) 0.000 24.221 ( 0.000 0.000 -0.000) 0.000 24.250 ( 0.000 0.000 -0.000) 0.000 24.301 ( 0.000 0.000 0.000) 0.000 24.388 ( 0.000 0.000 -0.000) 0.000 24.583 ( 0.000 0.000 0.000) 0.000 24.719 ( 0.000 0.000 0.000) 0.000 24.785 ( 0.000 0.000 -0.000) 0.000 25.228 ( 0.000 0.000 -0.000) 0.000 25.429 ( 0.000 0.000 0.000) 0.000 25.691 ( 0.000 0.000 -0.000) 0.000 25.714 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 20.799 0.000) 20.799 0.545 ( 0.000 26.163 0.000) 26.163 0.914 ( 0.000 41.099 0.000) 41.099 1.267 ( 0.000 3.466 0.000) 3.466 1.388 ( 0.000 -2.912 0.000) 2.912 1.451 ( 0.000 11.828 0.000) 11.828 1.516 ( 0.000 -2.983 0.000) 2.983 1.646 ( 0.000 0.751 0.000) 0.751 1.713 ( 0.000 -1.393 0.000) 1.393 1.849 ( 0.000 -3.703 0.000) 3.703 1.891 ( 0.000 3.166 0.000) 3.166 1.954 ( 0.000 4.948 0.000) 4.948 2.038 ( 0.000 -6.228 0.000) 6.228 2.213 ( 0.000 -9.142 0.000) 9.142 2.291 ( 0.000 -1.382 0.000) 1.382 2.333 ( 0.000 -3.398 0.000) 3.398 2.417 ( 0.000 -3.149 0.000) 3.149 2.425 ( 0.000 0.937 0.000) 0.937 2.485 ( 0.000 -4.442 0.000) 4.442 2.552 ( 0.000 -4.842 0.000) 4.842 2.579 ( 0.000 -3.185 0.000) 3.185 2.662 ( 0.000 -6.789 0.000) 6.789 2.692 ( 0.000 -0.490 0.000) 0.490 2.766 ( 0.000 -0.132 0.000) 0.132 2.788 ( 0.000 5.276 0.000) 5.276 2.865 ( 0.000 -2.432 0.000) 2.432 2.878 ( 0.000 1.944 0.000) 1.944 2.990 ( 0.000 -0.584 0.000) 0.584 3.097 ( 0.000 -1.341 0.000) 1.341 3.141 ( 0.000 2.579 0.000) 2.579 3.288 ( 0.000 -3.684 0.000) 3.684 3.344 ( 0.000 7.250 0.000) 7.250 3.426 ( 0.000 8.001 0.000) 8.001 3.579 ( 0.000 0.839 0.000) 0.839 3.605 ( 0.000 0.209 0.000) 0.209 3.615 ( 0.000 -6.356 0.000) 6.356 3.800 ( 0.000 4.234 0.000) 4.234 3.823 ( 0.000 6.736 0.000) 6.736 3.861 ( 0.000 -3.674 0.000) 3.674 3.867 ( 0.000 -1.860 0.000) 1.860 3.970 ( 0.000 -3.301 0.000) 3.301 3.977 ( 0.000 4.005 0.000) 4.005 4.073 ( 0.000 -2.251 0.000) 2.251 4.094 ( 0.000 3.017 0.000) 3.017 4.199 ( 0.000 4.060 0.000) 4.060 4.332 ( 0.000 -5.379 0.000) 5.379 4.357 ( 0.000 2.535 0.000) 2.535 4.470 ( 0.000 -3.046 0.000) 3.046 4.531 ( 0.000 2.122 0.000) 2.122 4.564 ( 0.000 -2.860 0.000) 2.860 4.687 ( 0.000 0.002 0.000) 0.002 4.743 ( 0.000 -0.290 0.000) 0.290 4.754 ( 0.000 1.816 0.000) 1.816 5.110 ( 0.000 -1.561 0.000) 1.561 5.199 ( 0.000 1.706 0.000) 1.706 5.222 ( 0.000 -0.312 0.000) 0.312 5.230 ( 0.000 -3.010 0.000) 3.010 5.312 ( 0.000 -0.815 0.000) 0.815 5.456 ( 0.000 2.186 0.000) 2.186 5.583 ( 0.000 -2.183 0.000) 2.183 5.910 ( 0.000 0.292 0.000) 0.292 5.931 ( 0.000 -0.284 0.000) 0.284 5.992 ( 0.000 -0.862 0.000) 0.862 6.001 ( 0.000 -1.478 0.000) 1.478 6.378 ( 0.000 3.527 0.000) 3.527 6.451 ( 0.000 5.932 0.000) 5.932 6.638 ( 0.000 -3.382 0.000) 3.382 6.787 ( 0.000 2.909 0.000) 2.909 7.022 ( 0.000 -1.086 0.000) 1.086 7.039 ( 0.000 -3.911 0.000) 3.911 7.113 ( 0.000 0.273 0.000) 0.273 7.183 ( 0.000 -2.469 0.000) 2.469 7.701 ( 0.000 0.425 0.000) 0.425 7.788 ( 0.000 2.841 0.000) 2.841 7.827 ( 0.000 -2.226 0.000) 2.226 7.992 ( 0.000 -0.603 0.000) 0.603 8.009 ( 0.000 0.711 0.000) 0.711 8.200 ( 0.000 -5.443 0.000) 5.443 8.238 ( 0.000 2.987 0.000) 2.987 8.534 ( 0.000 -3.911 0.000) 3.911 8.866 ( 0.000 1.803 0.000) 1.803 9.090 ( 0.000 -3.424 0.000) 3.424 9.151 ( 0.000 -0.385 0.000) 0.385 9.170 ( 0.000 -0.970 0.000) 0.970 9.392 ( 0.000 0.781 0.000) 0.781 9.432 ( 0.000 2.293 0.000) 2.293 9.450 ( 0.000 -0.991 0.000) 0.991 9.570 ( 0.000 -1.245 0.000) 1.245 9.722 ( 0.000 0.976 0.000) 0.976 9.772 ( 0.000 -0.159 0.000) 0.159 9.930 ( 0.000 0.622 0.000) 0.622 9.984 ( 0.000 -0.838 0.000) 0.838 11.823 ( 0.000 0.469 0.000) 0.469 11.890 ( 0.000 -0.525 0.000) 0.525 11.938 ( 0.000 1.864 0.000) 1.864 11.970 ( 0.000 -0.062 0.000) 0.062 12.064 ( 0.000 1.465 0.000) 1.465 12.108 ( 0.000 0.122 0.000) 0.122 12.152 ( 0.000 2.387 0.000) 2.387 12.359 ( 0.000 -2.104 0.000) 2.104 12.818 ( 0.000 -1.399 0.000) 1.399 12.892 ( 0.000 0.176 0.000) 0.176 12.937 ( 0.000 -1.895 0.000) 1.895 12.964 ( 0.000 1.698 0.000) 1.698 12.978 ( 0.000 -4.628 0.000) 4.628 13.087 ( 0.000 -0.618 0.000) 0.618 13.283 ( 0.000 3.497 0.000) 3.497 13.421 ( 0.000 -0.107 0.000) 0.107 13.651 ( 0.000 -0.705 0.000) 0.705 13.694 ( 0.000 -2.137 0.000) 2.137 13.725 ( 0.000 0.822 0.000) 0.822 13.749 ( 0.000 1.567 0.000) 1.567 13.845 ( 0.000 2.398 0.000) 2.398 13.859 ( 0.000 1.240 0.000) 1.240 14.124 ( 0.000 -0.733 0.000) 0.733 14.276 ( 0.000 -2.594 0.000) 2.594 14.667 ( 0.000 0.050 0.000) 0.050 14.748 ( 0.000 -1.354 0.000) 1.354 14.844 ( 0.000 10.672 0.000) 10.672 15.338 ( 0.000 1.000 0.000) 1.000 15.369 ( 0.000 1.047 0.000) 1.047 15.562 ( 0.000 -8.524 0.000) 8.524 15.723 ( 0.000 0.292 0.000) 0.292 15.762 ( 0.000 1.152 0.000) 1.152 22.123 ( 0.000 3.662 0.000) 3.662 22.354 ( 0.000 0.719 0.000) 0.719 22.356 ( 0.000 0.437 0.000) 0.437 22.431 ( 0.000 -2.119 0.000) 2.119 22.614 ( 0.000 2.474 0.000) 2.474 22.680 ( 0.000 -2.832 0.000) 2.832 22.755 ( 0.000 -0.763 0.000) 0.763 22.787 ( 0.000 -3.810 0.000) 3.810 23.076 ( 0.000 2.173 0.000) 2.173 23.118 ( 0.000 2.690 0.000) 2.690 23.356 ( 0.000 0.528 0.000) 0.528 23.389 ( 0.000 0.519 0.000) 0.519 23.428 ( 0.000 -0.345 0.000) 0.345 23.616 ( 0.000 4.015 0.000) 4.015 23.665 ( 0.000 -3.889 0.000) 3.889 23.885 ( 0.000 -0.872 0.000) 0.872 23.978 ( 0.000 0.355 0.000) 0.355 23.982 ( 0.000 0.875 0.000) 0.875 24.039 ( 0.000 -0.263 0.000) 0.263 24.100 ( 0.000 -2.115 0.000) 2.115 24.158 ( 0.000 1.315 0.000) 1.315 24.234 ( 0.000 -0.165 0.000) 0.165 24.246 ( 0.000 1.796 0.000) 1.796 24.296 ( 0.000 1.517 0.000) 1.517 24.382 ( 0.000 -0.662 0.000) 0.662 24.497 ( 0.000 -5.504 0.000) 5.504 24.848 ( 0.000 2.724 0.000) 2.724 24.987 ( 0.000 -1.538 0.000) 1.538 25.291 ( 0.000 -0.862 0.000) 0.862 25.306 ( 0.000 -1.908 0.000) 1.908 25.399 ( 0.000 1.656 0.000) 1.656 25.442 ( 0.000 -0.094 0.000) 0.094 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 9.939 17.296 7.075) 21.166 0.693 ( 15.230 17.157 -1.709) 23.005 1.188 ( 22.814 22.546 -0.756) 32.084 1.309 ( 4.522 10.695 -0.130) 11.612 1.412 ( -2.404 8.187 2.073) 8.781 1.518 ( 10.754 -4.693 -1.417) 11.819 1.554 ( 6.418 -3.596 2.853) 7.891 1.624 ( 0.237 -0.461 0.428) 0.672 1.778 ( 3.869 1.765 3.346) 5.411 1.865 ( 0.497 -2.568 -0.729) 2.715 1.892 ( 0.878 0.952 -1.624) 2.077 1.947 ( -0.698 5.664 -2.450) 6.211 2.032 ( -2.610 -6.100 -0.172) 6.637 2.123 ( -5.156 -5.734 1.909) 7.944 2.175 ( -8.376 -2.685 3.992) 9.660 2.245 ( -7.692 -3.172 -0.351) 8.328 2.405 ( -5.493 2.173 0.345) 5.917 2.456 ( -4.410 0.983 1.045) 4.638 2.471 ( 2.037 -5.178 1.412) 5.741 2.521 ( -0.246 -0.458 0.501) 0.722 2.552 ( -0.483 -5.337 3.712) 6.519 2.664 ( -1.108 -0.368 -1.020) 1.551 2.714 ( 1.907 -5.973 -7.501) 9.776 2.783 ( -2.647 1.381 -5.524) 6.279 2.812 ( 2.625 -0.887 -2.234) 3.560 2.871 ( 2.860 -1.900 -1.203) 3.638 2.921 ( 4.802 -0.059 5.074) 6.987 2.983 ( -2.110 -0.193 2.223) 3.071 3.090 ( 0.903 0.011 1.530) 1.776 3.169 ( 2.694 4.051 -1.623) 5.129 3.215 ( -5.036 0.701 -2.423) 5.633 3.326 ( -4.365 4.339 -2.155) 6.521 3.451 ( 1.101 3.633 1.949) 4.268 3.498 ( -3.173 0.035 0.856) 3.286 3.584 ( -2.534 1.981 -3.118) 4.480 3.673 ( 1.985 -2.265 0.884) 3.139 3.728 ( -1.822 1.309 0.391) 2.277 3.827 ( -1.263 2.478 1.718) 3.269 3.873 ( -3.176 1.043 2.526) 4.190 3.890 ( -0.218 -6.550 1.716) 6.775 3.954 ( 0.650 0.784 -2.101) 2.335 3.979 ( -5.080 3.033 1.533) 6.112 4.017 ( 3.717 1.802 -1.830) 4.518 4.132 ( 2.133 2.162 -0.500) 3.078 4.186 ( -1.075 3.072 -5.586) 6.465 4.286 ( -2.641 -1.326 2.256) 3.718 4.314 ( -2.210 1.072 -1.510) 2.883 4.444 ( -0.071 1.481 2.359) 2.787 4.510 ( -0.301 -3.107 -3.351) 4.580 4.575 ( -5.108 -5.568 1.487) 7.701 4.639 ( -2.301 6.325 -3.152) 7.432 4.672 ( -0.573 -1.280 2.662) 3.009 4.697 ( -4.892 -1.861 -1.773) 5.526 5.130 ( -0.824 2.206 1.291) 2.685 5.199 ( 3.661 -0.824 2.621) 4.577 5.253 ( 3.611 -1.785 0.052) 4.028 5.316 ( 0.745 -0.347 0.199) 0.845 5.376 ( 7.206 1.176 -0.997) 7.369 5.478 ( 3.169 0.580 -0.416) 3.249 5.565 ( -0.505 0.073 2.028) 2.091 5.860 ( 0.010 -2.696 -2.180) 3.467 5.922 ( -2.616 -0.303 1.378) 2.972 5.990 ( -0.456 1.605 0.866) 1.880 6.200 ( 10.011 -6.332 0.183) 11.847 6.347 ( -3.378 3.812 0.111) 5.094 6.551 ( 7.232 0.182 1.671) 7.425 6.624 ( -1.835 -2.877 1.176) 3.609 6.752 ( -3.169 2.436 0.844) 4.085 6.915 ( -5.004 2.246 5.786) 7.973 7.067 ( 0.572 -3.349 -1.861) 3.874 7.139 ( 0.928 -1.310 -4.288) 4.578 7.194 ( 1.134 -2.316 0.241) 2.590 7.730 ( 1.764 0.875 1.125) 2.268 7.775 ( -0.691 2.169 0.415) 2.314 7.858 ( 2.492 -1.677 -1.394) 3.312 7.985 ( -0.644 -0.507 0.101) 0.826 8.035 ( 1.624 -0.717 -3.177) 3.640 8.192 ( -0.755 -2.172 6.646) 7.032 8.242 ( 0.297 0.142 -6.717) 6.725 8.537 ( 0.415 -4.282 0.547) 4.337 8.865 ( -0.027 1.578 0.379) 1.623 9.087 ( -0.271 -3.614 -0.201) 3.629 9.136 ( -1.270 0.762 1.116) 1.854 9.175 ( 0.820 -0.693 -2.086) 2.346 9.391 ( -0.064 1.030 -0.351) 1.091 9.437 ( 0.720 1.858 -0.370) 2.027 9.469 ( 1.176 -2.464 0.072) 2.731 9.561 ( -0.898 -1.119 0.594) 1.553 9.674 ( -2.975 3.427 1.847) 4.900 9.764 ( -0.891 -0.320 0.914) 1.316 9.944 ( 0.827 -0.231 -1.023) 1.336 9.978 ( -0.464 -0.725 -1.107) 1.402 11.826 ( 0.202 0.662 2.152) 2.261 11.885 ( -0.925 0.505 -1.616) 1.930 11.910 ( -4.418 5.358 1.294) 7.064 11.946 ( -1.215 2.806 -0.494) 3.097 11.963 ( -0.533 0.232 0.081) 0.587 12.111 ( -1.280 0.194 -0.948) 1.604 12.169 ( -0.745 0.718 -3.915) 4.050 12.304 ( -2.357 0.412 -0.725) 2.501 12.828 ( 0.520 -1.716 1.487) 2.329 12.851 ( -1.838 0.073 -1.283) 2.243 12.920 ( 1.875 -0.303 0.120) 1.903 12.961 ( 1.615 -3.089 0.106) 3.487 13.096 ( 1.807 -0.251 -0.090) 1.826 13.117 ( 1.742 -3.141 3.472) 4.996 13.308 ( 1.752 3.846 0.649) 4.276 13.439 ( 2.591 -0.524 0.380) 2.671 13.640 ( -0.602 -0.688 2.143) 2.330 13.691 ( -0.417 -1.934 1.046) 2.238 13.717 ( -0.842 0.341 -3.518) 3.633 13.744 ( -0.096 1.392 -0.132) 1.402 13.866 ( 0.534 1.119 0.638) 1.394 13.902 ( 3.180 -0.112 -0.515) 3.223 14.080 ( -2.402 2.386 0.618) 3.442 14.360 ( 6.328 -3.729 -3.496) 8.134 14.636 ( -1.506 1.972 1.020) 2.683 14.846 ( 1.938 7.861 -2.334) 8.427 14.906 ( 7.544 -8.754 2.908) 11.916 15.340 ( -2.673 0.637 0.741) 2.845 15.361 ( 1.991 0.791 -0.510) 2.202 15.544 ( -1.759 -7.112 3.993) 8.343 15.673 ( -3.038 1.887 -2.306) 4.256 15.736 ( -2.577 0.641 0.828) 2.782 22.121 ( -0.134 3.651 -0.322) 3.668 22.241 ( -8.108 7.088 4.754) 11.772 22.356 ( -1.320 0.142 -3.548) 3.788 22.445 ( 1.470 -2.353 -0.331) 2.794 22.547 ( -7.115 3.487 1.775) 8.120 22.616 ( 0.013 2.802 -0.062) 2.802 22.696 ( -0.692 -1.748 1.431) 2.363 22.838 ( 1.582 -1.297 -3.926) 4.427 22.941 ( -2.868 6.042 -9.121) 11.310 23.151 ( -2.586 -2.602 -1.962) 4.160 23.314 ( -4.704 1.350 -0.560) 4.926 23.349 ( -2.119 0.281 0.817) 2.288 23.487 ( 2.543 2.485 1.873) 4.019 23.566 ( 1.732 5.127 -4.778) 7.219 23.716 ( -0.310 -4.126 -1.957) 4.577 23.890 ( -0.473 -2.276 1.391) 2.709 23.949 ( -0.931 0.503 1.181) 1.586 24.035 ( 3.124 0.442 1.323) 3.421 24.082 ( 1.815 -2.480 -1.342) 3.354 24.105 ( 0.611 -1.394 -1.994) 2.508 24.174 ( 1.709 1.740 -1.395) 2.809 24.228 ( -0.605 1.045 -0.274) 1.238 24.249 ( 0.793 0.749 0.332) 1.140 24.316 ( 0.828 0.850 -0.199) 1.203 24.438 ( 3.043 -3.422 2.900) 5.420 24.477 ( -0.149 -5.665 -2.868) 6.351 24.783 ( -7.547 2.131 6.039) 9.898 24.859 ( -4.826 1.284 3.839) 6.299 25.246 ( -1.176 1.022 -0.690) 1.704 25.341 ( 2.727 -1.907 -1.633) 3.707 25.427 ( 6.708 2.687 -0.407) 7.237 25.699 ( 8.326 -9.706 3.138) 13.167 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 12.534 10.945 5.458) 17.513 0.986 ( 12.714 7.869 -0.586) 14.964 1.300 ( 0.184 11.694 -3.262) 12.142 1.411 ( 3.637 3.474 3.797) 6.302 1.576 ( 5.965 1.687 4.644) 7.746 1.608 ( 3.100 -1.757 -0.427) 3.589 1.724 ( 0.467 2.311 0.264) 2.372 1.777 ( 3.070 -0.677 1.527) 3.495 1.834 ( 5.366 -3.170 -3.688) 7.241 1.850 ( -1.019 1.522 -1.411) 2.312 1.903 ( 1.365 0.475 2.208) 2.639 1.957 ( -3.510 -0.196 0.232) 3.523 1.999 ( 16.272 2.863 0.336) 16.526 2.039 ( -4.849 0.423 -0.413) 4.885 2.053 ( -1.719 -4.757 0.797) 5.121 2.163 ( 1.360 -4.872 -3.672) 6.251 2.264 ( -7.230 7.305 4.697) 11.301 2.382 ( -3.653 0.647 -0.614) 3.760 2.475 ( -2.782 -8.113 6.607) 10.826 2.515 ( 2.160 4.188 0.624) 4.753 2.577 ( -0.004 -4.203 -0.230) 4.210 2.648 ( -1.300 -1.716 0.249) 2.167 2.675 ( -0.396 1.480 -6.947) 7.113 2.764 ( -1.935 0.397 -4.127) 4.575 2.835 ( 0.930 1.803 2.270) 3.045 2.916 ( 3.519 -4.854 -2.286) 6.417 2.926 ( -2.197 -2.315 -2.228) 3.892 3.046 ( 3.242 3.291 3.046) 5.534 3.100 ( 0.078 4.243 1.915) 4.656 3.114 ( -6.778 1.003 -2.599) 7.328 3.195 ( -5.764 2.964 0.585) 6.507 3.224 ( 0.853 1.797 -1.294) 2.373 3.429 ( -4.960 1.099 0.582) 5.113 3.453 ( -4.000 1.478 -0.750) 4.330 3.557 ( 1.629 -0.481 0.648) 1.818 3.671 ( -2.286 4.862 1.165) 5.498 3.696 ( -0.837 0.136 -3.980) 4.070 3.742 ( -2.971 0.854 2.974) 4.289 3.822 ( -0.420 -4.019 2.957) 5.008 3.891 ( -1.855 -5.499 1.168) 5.920 3.956 ( 1.485 0.304 -1.262) 1.972 3.966 ( 0.327 -1.529 -0.621) 1.683 4.076 ( 0.766 3.030 -1.374) 3.414 4.142 ( -1.917 0.562 -2.149) 2.934 4.163 ( 0.875 3.875 1.346) 4.195 4.239 ( 0.866 -1.141 -2.338) 2.742 4.291 ( -1.464 0.070 -0.833) 1.686 4.453 ( -2.946 -5.038 0.497) 5.857 4.477 ( -1.946 -3.622 -1.556) 4.396 4.539 ( 1.134 -3.168 -1.563) 3.710 4.558 ( -3.618 -1.061 0.901) 3.876 4.674 ( 1.107 -2.735 1.218) 3.192 4.688 ( 2.256 6.185 -0.679) 6.618 5.127 ( 0.360 2.507 -0.299) 2.551 5.230 ( -0.062 2.144 3.761) 4.329 5.318 ( 0.896 -3.071 -1.104) 3.384 5.359 ( 5.141 -2.327 -0.801) 5.700 5.491 ( 4.415 0.950 -0.912) 4.607 5.551 ( -0.318 1.247 1.332) 1.852 5.554 ( 3.413 1.423 -1.084) 3.853 5.867 ( -2.487 1.355 2.955) 4.093 5.898 ( 2.903 -1.676 -1.492) 3.669 5.956 ( -3.149 3.030 0.793) 4.441 6.274 ( -3.294 2.909 -0.230) 4.401 6.347 ( 5.373 -5.935 0.049) 8.006 6.557 ( -3.731 -3.510 -0.114) 5.124 6.662 ( 3.915 1.098 1.675) 4.397 6.712 ( -0.586 2.531 1.467) 2.984 6.841 ( -3.851 0.739 1.833) 4.328 7.073 ( 0.228 -3.117 -1.092) 3.310 7.143 ( -0.057 -0.503 -1.804) 1.874 7.217 ( 0.987 -2.043 -0.096) 2.271 7.755 ( 0.840 1.733 0.771) 2.074 7.771 ( 0.221 2.724 0.603) 2.798 7.899 ( 1.531 -2.000 -0.511) 2.570 7.974 ( -0.342 -0.350 -0.010) 0.489 8.050 ( 0.241 0.143 -1.829) 1.850 8.187 ( -0.048 1.216 6.372) 6.487 8.237 ( -0.371 -2.705 -6.593) 7.136 8.548 ( 0.594 -4.827 0.510) 4.890 8.865 ( -0.030 1.055 0.269) 1.089 9.082 ( -0.208 -3.823 -0.059) 3.829 9.123 ( -0.101 0.837 0.481) 0.970 9.183 ( 0.073 -1.003 -1.429) 1.747 9.390 ( -0.008 1.275 -0.095) 1.278 9.458 ( 1.368 0.988 -1.191) 2.066 9.483 ( 0.359 -2.455 0.192) 2.488 9.541 ( -1.173 -0.761 1.019) 1.729 9.636 ( -1.200 3.062 1.336) 3.549 9.745 ( -0.909 -0.646 1.030) 1.518 9.951 ( -0.072 -0.015 0.720) 0.723 9.972 ( 0.020 -0.672 -1.966) 2.078 11.821 ( -0.778 2.450 2.671) 3.707 11.862 ( 0.286 3.800 -2.528) 4.573 11.888 ( -0.225 -0.210 -0.045) 0.311 11.932 ( -0.629 -0.053 -0.009) 0.631 11.956 ( -0.339 0.096 0.403) 0.535 12.087 ( -0.828 1.278 -0.260) 1.545 12.129 ( -2.485 1.056 -2.375) 3.596 12.282 ( -0.467 -0.145 -0.008) 0.489 12.817 ( -0.874 -0.584 -0.239) 1.078 12.852 ( 0.767 -3.063 0.642) 3.222 12.961 ( 1.876 -1.735 -1.007) 2.746 12.994 ( 1.622 -3.113 0.587) 3.559 13.097 ( -1.070 0.901 1.269) 1.889 13.144 ( 1.334 -0.872 0.816) 1.791 13.335 ( 1.098 5.828 -0.025) 5.931 13.492 ( 1.963 -0.083 0.705) 2.088 13.641 ( 0.703 -1.123 1.033) 1.680 13.679 ( -0.784 -1.178 1.603) 2.138 13.706 ( 0.019 -0.808 -2.010) 2.167 13.739 ( -0.476 -0.318 -0.651) 0.867 13.874 ( 0.279 1.379 0.497) 1.493 13.944 ( 1.542 0.616 -0.502) 1.735 14.052 ( -0.820 5.881 0.074) 5.938 14.457 ( 3.128 -2.967 -2.783) 5.131 14.620 ( 0.257 1.522 2.053) 2.568 14.890 ( 2.864 8.024 -4.466) 9.620 14.991 ( 1.680 -8.050 2.973) 8.744 15.276 ( -3.457 0.509 1.021) 3.640 15.407 ( 2.356 -0.671 0.003) 2.449 15.515 ( -1.278 -5.474 1.033) 5.716 15.633 ( -1.299 0.662 2.115) 2.569 15.680 ( -2.847 -0.735 -1.646) 3.369 22.115 ( -0.717 4.071 -0.244) 4.141 22.140 ( -2.464 6.080 0.983) 6.634 22.324 ( -1.477 -0.824 -0.852) 1.894 22.469 ( -1.843 2.900 0.026) 3.436 22.486 ( 2.121 -4.649 -0.675) 5.154 22.619 ( 0.122 1.692 -0.283) 1.719 22.672 ( -1.874 -0.377 1.573) 2.476 22.856 ( 0.612 0.167 -1.356) 1.497 22.911 ( -0.612 2.881 -3.964) 4.938 23.096 ( -2.258 -1.720 -1.233) 3.094 23.231 ( -3.244 3.451 -0.023) 4.736 23.317 ( -1.391 -0.408 0.718) 1.617 23.492 ( -0.387 3.834 0.361) 3.871 23.628 ( 2.700 0.786 -0.947) 2.968 23.695 ( -1.069 -0.567 -1.784) 2.155 23.865 ( -1.566 -3.191 0.442) 3.582 23.946 ( 0.212 0.937 0.861) 1.290 24.084 ( 1.653 -0.773 1.234) 2.203 24.098 ( 0.615 -1.849 0.011) 1.948 24.114 ( 0.286 -0.102 -2.200) 2.221 24.211 ( 1.153 1.638 -2.346) 3.085 24.228 ( 0.715 0.889 1.138) 1.612 24.261 ( 1.100 1.884 0.001) 2.182 24.322 ( -0.034 0.761 -0.104) 0.769 24.417 ( -1.320 -0.540 -2.578) 2.946 24.563 ( 4.522 -5.174 1.052) 6.952 24.649 ( -4.846 -0.735 3.245) 5.878 24.793 ( -3.647 -2.378 3.734) 5.736 25.240 ( 0.206 1.334 -0.476) 1.431 25.386 ( 1.880 -2.235 -1.241) 3.173 25.569 ( 7.472 1.306 -1.583) 7.749 25.753 ( -1.133 -4.529 2.894) 5.493 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 5.534 0.000) 5.534 1.042 ( 0.000 6.559 0.000) 6.559 1.407 ( 0.000 10.282 -0.000) 10.282 1.460 ( 0.000 1.384 0.000) 1.384 1.510 ( 0.000 9.745 -0.000) 9.745 1.632 ( 0.000 -0.254 -0.000) 0.254 1.719 ( -0.000 1.032 -0.000) 1.032 1.736 ( 0.000 -4.084 0.000) 4.084 1.838 ( 0.000 2.447 -0.000) 2.447 1.857 ( 0.000 -5.404 0.000) 5.404 1.941 ( 0.000 -1.678 0.000) 1.678 1.973 ( 0.000 1.204 -0.000) 1.204 1.999 ( 0.000 -5.070 0.000) 5.070 2.044 ( 0.000 -2.092 0.000) 2.092 2.125 ( -0.000 -11.495 -0.000) 11.495 2.182 ( 0.000 8.310 -0.000) 8.310 2.335 ( 0.000 4.797 -0.000) 4.797 2.419 ( -0.000 -10.358 -0.000) 10.358 2.441 ( 0.000 4.122 0.000) 4.122 2.506 ( 0.000 -0.452 -0.000) 0.452 2.569 ( 0.000 7.807 0.000) 7.807 2.640 ( -0.000 -2.521 -0.000) 2.521 2.669 ( 0.000 -1.069 0.000) 1.069 2.776 ( 0.000 3.189 -0.000) 3.189 2.787 ( 0.000 4.216 -0.000) 4.216 2.903 ( 0.000 -2.984 0.000) 2.984 2.955 ( 0.000 -1.605 -0.000) 1.605 3.049 ( 0.000 0.757 0.000) 0.757 3.076 ( -0.000 6.951 0.000) 6.951 3.095 ( 0.000 -2.726 0.000) 2.726 3.111 ( 0.000 3.213 -0.000) 3.213 3.135 ( 0.000 7.115 0.000) 7.115 3.383 ( 0.000 1.416 -0.000) 1.416 3.440 ( 0.000 1.242 0.000) 1.242 3.588 ( 0.000 -3.132 0.000) 3.132 3.643 ( 0.000 4.001 -0.000) 4.001 3.699 ( 0.000 -1.850 0.000) 1.850 3.729 ( 0.000 2.535 -0.000) 2.535 3.834 ( -0.000 -3.492 0.000) 3.492 3.837 ( 0.000 -5.046 -0.000) 5.046 3.968 ( 0.000 -1.673 -0.000) 1.673 3.979 ( 0.000 -1.912 0.000) 1.912 4.060 ( 0.000 0.625 -0.000) 0.625 4.155 ( -0.000 1.260 0.000) 1.260 4.161 ( 0.000 3.512 -0.000) 3.512 4.262 ( 0.000 -3.119 -0.000) 3.119 4.267 ( -0.000 0.297 0.000) 0.297 4.400 ( 0.000 -4.120 -0.000) 4.120 4.470 ( 0.000 -1.788 -0.000) 1.788 4.495 ( 0.000 -8.065 0.000) 8.065 4.576 ( 0.000 0.016 -0.000) 0.016 4.684 ( 0.000 -3.751 -0.000) 3.751 4.725 ( 0.000 8.034 -0.000) 8.034 5.134 ( 0.000 2.522 -0.000) 2.522 5.224 ( -0.000 2.544 0.000) 2.544 5.323 ( 0.000 -1.975 0.000) 1.975 5.430 ( 0.000 -5.654 0.000) 5.654 5.506 ( 0.000 -0.485 0.000) 0.485 5.546 ( 0.000 2.886 -0.000) 2.886 5.616 ( 0.000 1.530 0.000) 1.530 5.845 ( 0.000 6.935 0.000) 6.935 5.899 ( 0.000 0.268 -0.000) 0.268 5.940 ( 0.000 -0.136 0.000) 0.136 6.241 ( 0.000 2.765 -0.000) 2.765 6.394 ( 0.000 -6.281 -0.000) 6.281 6.520 ( 0.000 -5.086 0.000) 5.086 6.692 ( 0.000 2.268 0.000) 2.268 6.748 ( 0.000 5.049 0.000) 5.049 6.770 ( -0.000 -2.337 0.000) 2.337 7.075 ( 0.000 -2.927 -0.000) 2.927 7.141 ( 0.000 -0.127 -0.000) 0.127 7.227 ( 0.000 -1.922 0.000) 1.922 7.763 ( 0.000 2.244 0.000) 2.244 7.776 ( 0.000 2.675 0.000) 2.675 7.912 ( 0.000 -2.336 0.000) 2.336 7.973 ( 0.000 -0.247 0.000) 0.247 8.050 ( 0.000 0.720 0.000) 0.720 8.191 ( 0.000 3.426 0.000) 3.426 8.229 ( 0.000 -4.705 -0.000) 4.705 8.555 ( 0.000 -4.956 0.000) 4.956 8.865 ( 0.000 0.780 -0.000) 0.780 9.080 ( 0.000 -3.896 0.000) 3.896 9.125 ( 0.000 0.687 -0.000) 0.687 9.181 ( 0.000 -1.137 -0.000) 1.137 9.391 ( 0.000 1.278 0.000) 1.278 9.476 ( 0.000 0.514 0.000) 0.514 9.486 ( 0.000 -2.176 -0.000) 2.176 9.527 ( 0.000 -0.501 0.000) 0.501 9.626 ( 0.000 2.731 -0.000) 2.731 9.736 ( 0.000 -0.812 -0.000) 0.812 9.949 ( 0.000 0.202 0.000) 0.202 9.973 ( 0.000 -0.666 -0.000) 0.666 11.814 ( 0.000 2.479 -0.000) 2.479 11.868 ( 0.000 3.408 -0.000) 3.408 11.885 ( 0.000 -0.348 0.000) 0.348 11.927 ( 0.000 -0.560 -0.000) 0.560 11.951 ( 0.000 -0.698 0.000) 0.698 12.088 ( -0.000 4.823 -0.000) 4.823 12.092 ( 0.000 -1.819 0.000) 1.819 12.278 ( 0.000 -0.259 0.000) 0.259 12.808 ( 0.000 -0.623 0.000) 0.623 12.861 ( 0.000 -3.927 -0.000) 3.927 12.979 ( 0.000 -2.326 0.000) 2.326 13.012 ( 0.000 -3.150 -0.000) 3.150 13.085 ( 0.000 1.662 0.000) 1.662 13.158 ( 0.000 -0.656 -0.000) 0.656 13.346 ( 0.000 6.652 0.000) 6.652 13.508 ( 0.000 0.770 0.000) 0.770 13.655 ( 0.000 -1.301 -0.000) 1.301 13.669 ( 0.000 -1.061 0.000) 1.061 13.710 ( 0.000 -1.254 -0.000) 1.254 13.730 ( 0.000 -1.548 -0.000) 1.548 13.877 ( 0.000 1.820 -0.000) 1.820 13.960 ( 0.000 0.844 0.000) 0.844 14.044 ( 0.000 7.427 0.000) 7.427 14.478 ( 0.000 -0.481 0.000) 0.481 14.634 ( 0.000 -0.803 -0.000) 0.803 14.925 ( 0.000 8.110 -0.000) 8.110 15.001 ( 0.000 -7.011 0.000) 7.011 15.238 ( 0.000 0.431 0.000) 0.431 15.434 ( 0.000 -1.782 0.000) 1.782 15.500 ( 0.000 -3.703 -0.000) 3.703 15.623 ( -0.000 -1.123 -0.000) 1.123 15.648 ( 0.000 -0.883 0.000) 0.883 22.102 ( 0.000 4.698 0.000) 4.698 22.125 ( 0.000 4.149 0.000) 4.149 22.309 ( 0.000 -1.259 0.000) 1.259 22.449 ( 0.000 1.944 0.000) 1.944 22.518 ( 0.000 -5.401 0.000) 5.401 22.615 ( 0.000 -1.546 0.000) 1.546 22.649 ( 0.000 4.057 -0.000) 4.057 22.862 ( 0.000 0.770 -0.000) 0.770 22.905 ( 0.000 1.768 -0.000) 1.768 23.074 ( 0.000 -1.362 0.000) 1.362 23.200 ( 0.000 3.948 0.000) 3.948 23.303 ( 0.000 -0.612 0.000) 0.612 23.488 ( 0.000 3.188 -0.000) 3.188 23.652 ( 0.000 0.316 0.000) 0.316 23.683 ( 0.000 0.604 0.000) 0.604 23.849 ( 0.000 -3.360 0.000) 3.360 23.949 ( 0.000 1.011 -0.000) 1.011 24.094 ( 0.000 -2.997 -0.000) 2.997 24.112 ( 0.000 0.338 0.000) 0.338 24.114 ( -0.000 0.014 -0.000) 0.014 24.216 ( 0.000 0.313 -0.000) 0.313 24.235 ( 0.000 1.693 -0.000) 1.693 24.284 ( 0.000 2.233 -0.000) 2.233 24.321 ( 0.000 0.960 0.000) 0.960 24.414 ( 0.000 2.707 -0.000) 2.707 24.547 ( 0.000 -2.996 0.000) 2.996 24.682 ( 0.000 -3.489 0.000) 3.489 24.727 ( 0.000 -5.320 -0.000) 5.320 25.243 ( 0.000 1.450 -0.000) 1.450 25.404 ( 0.000 -2.327 0.000) 2.327 25.681 ( 0.000 -0.746 -0.000) 0.746 25.701 ( -0.000 -1.111 0.000) 1.111 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 20.039 0.000) 20.039 1.011 ( 0.000 19.470 0.000) 19.470 1.189 ( 0.000 -15.463 0.000) 15.463 1.269 ( 0.000 -5.054 0.000) 5.054 1.386 ( 0.000 7.931 0.000) 7.931 1.562 ( 0.000 -7.435 0.000) 7.435 1.683 ( 0.000 6.146 0.000) 6.146 1.735 ( 0.000 12.537 0.000) 12.537 1.759 ( 0.000 2.222 0.000) 2.222 1.854 ( 0.000 10.219 0.000) 10.219 1.917 ( 0.000 -0.932 0.000) 0.932 1.928 ( 0.000 -4.302 0.000) 4.302 2.029 ( 0.000 4.078 0.000) 4.078 2.157 ( 0.000 8.197 0.000) 8.197 2.218 ( 0.000 -6.767 0.000) 6.767 2.306 ( 0.000 0.530 0.000) 0.530 2.306 ( 0.000 -6.078 0.000) 6.078 2.386 ( 0.000 -0.097 0.000) 0.097 2.400 ( 0.000 -3.302 0.000) 3.302 2.499 ( 0.000 -0.379 0.000) 0.379 2.501 ( 0.000 -2.047 0.000) 2.047 2.609 ( 0.000 -2.461 0.000) 2.461 2.614 ( 0.000 -3.585 0.000) 3.585 2.631 ( 0.000 -16.231 0.000) 16.231 2.808 ( 0.000 0.790 0.000) 0.790 2.852 ( 0.000 -1.659 0.000) 1.659 2.983 ( 0.000 9.434 0.000) 9.434 3.017 ( 0.000 2.921 0.000) 2.921 3.066 ( 0.000 -1.837 0.000) 1.837 3.166 ( 0.000 -8.049 0.000) 8.049 3.289 ( 0.000 9.141 0.000) 9.141 3.457 ( 0.000 -7.737 0.000) 7.737 3.490 ( 0.000 6.932 0.000) 6.932 3.572 ( 0.000 5.654 0.000) 5.654 3.601 ( 0.000 -1.820 0.000) 1.820 3.656 ( 0.000 5.973 0.000) 5.973 3.671 ( 0.000 -7.790 0.000) 7.790 3.820 ( 0.000 -8.139 0.000) 8.139 3.867 ( 0.000 3.606 0.000) 3.606 3.928 ( 0.000 -1.481 0.000) 1.481 3.963 ( 0.000 4.939 0.000) 4.939 4.022 ( 0.000 -2.176 0.000) 2.176 4.069 ( 0.000 4.937 0.000) 4.937 4.176 ( 0.000 -5.649 0.000) 5.649 4.185 ( 0.000 5.535 0.000) 5.535 4.267 ( 0.000 -1.850 0.000) 1.850 4.388 ( 0.000 0.943 0.000) 0.943 4.420 ( 0.000 -2.362 0.000) 2.362 4.552 ( 0.000 2.259 0.000) 2.259 4.582 ( 0.000 1.071 0.000) 1.071 4.696 ( 0.000 0.755 0.000) 0.755 4.722 ( 0.000 -1.602 0.000) 1.602 4.830 ( 0.000 6.893 0.000) 6.893 5.004 ( 0.000 -8.795 0.000) 8.795 5.210 ( 0.000 1.452 0.000) 1.452 5.219 ( 0.000 0.021 0.000) 0.021 5.224 ( 0.000 0.687 0.000) 0.687 5.271 ( 0.000 -3.078 0.000) 3.078 5.504 ( 0.000 2.287 0.000) 2.287 5.543 ( 0.000 -1.775 0.000) 1.775 5.919 ( 0.000 0.613 0.000) 0.613 5.929 ( 0.000 -0.164 0.000) 0.164 5.969 ( 0.000 -1.070 0.000) 1.070 5.972 ( 0.000 -0.955 0.000) 0.955 6.466 ( 0.000 4.955 0.000) 4.955 6.562 ( 0.000 -4.407 0.000) 4.407 6.613 ( 0.000 9.438 0.000) 9.438 6.779 ( 0.000 -5.378 0.000) 5.378 6.982 ( 0.000 -0.172 0.000) 0.172 7.002 ( 0.000 -1.069 0.000) 1.069 7.112 ( 0.000 -0.066 0.000) 0.066 7.131 ( 0.000 -2.139 0.000) 2.139 7.724 ( 0.000 1.925 0.000) 1.925 7.773 ( 0.000 -2.848 0.000) 2.848 7.866 ( 0.000 4.814 0.000) 4.814 7.957 ( 0.000 -3.415 0.000) 3.415 8.031 ( 0.000 1.665 0.000) 1.665 8.088 ( 0.000 -4.582 0.000) 4.582 8.321 ( 0.000 5.147 0.000) 5.147 8.433 ( 0.000 -5.764 0.000) 5.764 8.921 ( 0.000 3.703 0.000) 3.703 9.007 ( 0.000 -4.604 0.000) 4.604 9.143 ( 0.000 -0.170 0.000) 0.170 9.150 ( 0.000 -0.840 0.000) 0.840 9.409 ( 0.000 0.922 0.000) 0.922 9.429 ( 0.000 -1.042 0.000) 1.042 9.486 ( 0.000 2.816 0.000) 2.816 9.536 ( 0.000 -2.124 0.000) 2.124 9.745 ( 0.000 1.191 0.000) 1.191 9.764 ( 0.000 -0.684 0.000) 0.684 9.945 ( 0.000 0.848 0.000) 0.848 9.964 ( 0.000 -1.053 0.000) 1.053 11.842 ( 0.000 1.356 0.000) 1.356 11.870 ( 0.000 -1.354 0.000) 1.354 11.968 ( 0.000 0.882 0.000) 0.882 11.973 ( 0.000 0.202 0.000) 0.202 12.092 ( 0.000 1.203 0.000) 1.203 12.107 ( 0.000 -0.296 0.000) 0.296 12.218 ( 0.000 3.996 0.000) 3.996 12.299 ( 0.000 -3.798 0.000) 3.798 12.813 ( 0.000 1.188 0.000) 1.188 12.868 ( 0.000 -4.064 0.000) 4.064 12.897 ( 0.000 0.509 0.000) 0.509 12.917 ( 0.000 -1.571 0.000) 1.571 13.007 ( 0.000 2.429 0.000) 2.429 13.055 ( 0.000 -2.278 0.000) 2.278 13.358 ( 0.000 3.502 0.000) 3.502 13.408 ( 0.000 -1.470 0.000) 1.470 13.641 ( 0.000 0.010 0.000) 0.010 13.656 ( 0.000 -1.436 0.000) 1.436 13.747 ( 0.000 1.206 0.000) 1.206 13.764 ( 0.000 -0.216 0.000) 0.216 13.883 ( 0.000 1.086 0.000) 1.086 13.884 ( 0.000 0.882 0.000) 0.882 14.140 ( 0.000 2.478 0.000) 2.478 14.209 ( 0.000 -3.847 0.000) 3.847 14.681 ( 0.000 1.283 0.000) 1.283 14.714 ( 0.000 -1.868 0.000) 1.868 15.090 ( 0.000 13.147 0.000) 13.147 15.328 ( 0.000 -7.435 0.000) 7.435 15.385 ( 0.000 0.219 0.000) 0.219 15.390 ( 0.000 -3.324 0.000) 3.324 15.737 ( 0.000 1.119 0.000) 1.119 15.761 ( 0.000 -0.972 0.000) 0.972 22.223 ( 0.000 6.029 0.000) 6.029 22.340 ( 0.000 -4.456 0.000) 4.456 22.368 ( 0.000 0.590 0.000) 0.590 22.378 ( 0.000 -0.998 0.000) 0.998 22.654 ( 0.000 0.829 0.000) 0.829 22.673 ( 0.000 3.056 0.000) 3.056 22.706 ( 0.000 -3.787 0.000) 3.787 22.727 ( 0.000 -2.090 0.000) 2.090 23.121 ( 0.000 2.081 0.000) 2.081 23.147 ( 0.000 -0.126 0.000) 0.126 23.369 ( 0.000 0.657 0.000) 0.657 23.383 ( 0.000 -0.749 0.000) 0.749 23.474 ( 0.000 4.455 0.000) 4.455 23.574 ( 0.000 -5.017 0.000) 5.017 23.713 ( 0.000 5.528 0.000) 5.528 23.822 ( 0.000 -4.909 0.000) 4.909 24.000 ( 0.000 1.415 0.000) 1.415 24.007 ( 0.000 1.391 0.000) 1.391 24.029 ( 0.000 -0.594 0.000) 0.594 24.052 ( 0.000 -2.328 0.000) 2.328 24.192 ( 0.000 1.865 0.000) 1.865 24.223 ( 0.000 -1.060 0.000) 1.060 24.292 ( 0.000 2.508 0.000) 2.508 24.319 ( 0.000 0.386 0.000) 0.386 24.369 ( 0.000 -0.444 0.000) 0.444 24.395 ( 0.000 -3.840 0.000) 3.840 24.900 ( 0.000 2.476 0.000) 2.476 24.947 ( 0.000 -2.267 0.000) 2.267 25.275 ( 0.000 -0.522 0.000) 0.522 25.277 ( 0.000 -0.840 0.000) 0.840 25.425 ( 0.000 0.956 0.000) 0.956 25.438 ( 0.000 -0.369 0.000) 0.369 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 6.291 15.285 3.528) 16.902 1.016 ( 3.568 10.277 -0.576) 10.894 1.326 ( 4.867 0.481 1.043) 5.001 1.335 ( 11.350 -7.931 1.284) 13.906 1.449 ( 6.220 0.885 2.456) 6.745 1.536 ( -0.700 -4.371 3.311) 5.528 1.682 ( 0.451 7.161 0.540) 7.195 1.755 ( 0.605 11.113 -4.073) 11.851 1.775 ( 1.807 -2.437 1.638) 3.448 1.878 ( 0.372 -0.032 0.440) 0.577 1.918 ( 0.677 -0.281 -1.941) 2.075 1.945 ( 1.820 -3.500 2.588) 4.718 2.028 ( 0.137 7.042 -2.198) 7.378 2.119 ( -3.228 4.391 -1.453) 5.640 2.144 ( -10.216 0.981 10.584) 14.743 2.204 ( -1.091 2.264 -2.837) 3.790 2.303 ( -4.457 -4.802 11.674) 13.387 2.414 ( 2.643 -1.910 -4.300) 5.396 2.429 ( 2.225 -0.214 -0.177) 2.242 2.491 ( 0.094 0.460 -0.696) 0.840 2.558 ( 3.741 0.727 -9.233) 9.989 2.585 ( -0.120 -3.741 -1.107) 3.903 2.648 ( 3.171 -2.900 -4.818) 6.456 2.731 ( 7.288 -12.977 -3.075) 15.198 2.801 ( 1.143 1.917 -0.955) 2.428 2.851 ( -0.678 -0.755 0.069) 1.017 2.946 ( -3.492 4.408 1.638) 5.857 2.994 ( -2.185 0.483 -0.613) 2.320 3.068 ( 0.400 -0.454 1.636) 1.744 3.126 ( -2.849 -5.432 0.986) 6.213 3.320 ( 1.731 6.936 0.081) 7.149 3.395 ( -4.631 0.929 -0.661) 4.769 3.498 ( -1.814 1.838 2.939) 3.912 3.560 ( -0.015 -2.501 -0.326) 2.522 3.573 ( -0.030 4.275 1.737) 4.615 3.644 ( -1.445 -1.020 1.050) 2.057 3.725 ( -0.136 -3.168 0.835) 3.279 3.761 ( -4.959 -1.111 -0.817) 5.147 3.842 ( -1.514 0.152 -1.230) 1.957 3.883 ( 0.916 -3.150 -1.060) 3.447 4.004 ( -3.897 4.439 -0.834) 5.966 4.030 ( 1.147 1.711 -3.395) 3.971 4.076 ( 1.493 3.573 2.513) 4.616 4.166 ( -0.674 -2.845 -2.076) 3.586 4.182 ( 0.414 1.671 1.005) 1.994 4.262 ( -0.924 -2.696 -1.178) 3.083 4.353 ( -3.409 3.761 -1.711) 5.357 4.424 ( 0.216 -2.283 -1.471) 2.724 4.493 ( -6.686 -1.081 -1.869) 7.026 4.498 ( -3.816 -0.179 -0.947) 3.936 4.626 ( -5.452 -1.871 2.310) 6.210 4.643 ( -6.394 -2.660 0.467) 6.941 4.838 ( 2.055 11.575 -0.775) 11.782 5.062 ( 3.729 -10.124 -0.312) 10.794 5.188 ( 0.329 3.235 2.208) 3.930 5.246 ( 1.976 -1.861 2.880) 3.958 5.323 ( 4.630 1.815 -1.278) 5.135 5.365 ( 8.553 -1.788 -0.529) 8.754 5.515 ( 1.938 2.084 1.675) 3.302 5.549 ( 0.802 -1.360 2.179) 2.691 5.843 ( -1.919 1.047 -2.565) 3.370 5.885 ( -2.352 -2.615 -0.699) 3.586 6.038 ( 3.437 2.742 1.268) 4.576 6.101 ( 7.677 -3.772 0.820) 8.593 6.448 ( -3.112 5.679 0.241) 6.480 6.551 ( -2.018 -4.392 0.229) 4.839 6.627 ( 2.475 5.995 0.173) 6.488 6.743 ( -2.349 -4.092 0.183) 4.722 6.946 ( -2.805 2.303 1.019) 3.769 7.003 ( -0.505 -2.988 -0.656) 3.100 7.126 ( 1.188 -0.006 -0.945) 1.518 7.146 ( 1.384 -2.018 0.014) 2.447 7.751 ( 2.346 1.571 0.771) 2.927 7.789 ( 1.541 -1.755 1.506) 2.779 7.871 ( 0.458 3.897 -1.876) 4.349 7.953 ( -0.445 -3.167 -0.682) 3.270 8.044 ( 1.125 1.440 -0.736) 1.970 8.099 ( 0.996 -4.430 0.357) 4.554 8.313 ( -0.758 5.247 -0.198) 5.305 8.429 ( -0.285 -6.056 0.433) 6.078 8.917 ( -0.403 3.584 0.464) 3.636 9.002 ( -0.474 -4.630 0.358) 4.668 9.143 ( -0.084 0.319 -0.145) 0.361 9.156 ( 0.516 -0.926 -1.167) 1.577 9.412 ( 0.279 1.006 -0.768) 1.296 9.434 ( 0.503 -1.284 -0.523) 1.474 9.485 ( -0.111 2.531 0.413) 2.566 9.530 ( -0.574 -1.947 0.539) 2.100 9.723 ( -1.946 1.821 1.390) 3.006 9.751 ( -1.328 -0.986 1.026) 1.947 9.949 ( 0.326 0.524 -0.302) 0.687 9.962 ( -0.135 -0.789 -0.625) 1.015 11.846 ( 0.346 1.211 0.494) 1.353 11.870 ( 0.022 -1.157 -0.401) 1.225 11.951 ( -1.480 1.014 0.845) 1.983 11.965 ( -0.928 -0.255 0.327) 1.017 12.039 ( -3.767 4.018 -0.393) 5.522 12.095 ( -1.638 -1.752 -1.431) 2.793 12.214 ( -0.591 3.217 -0.751) 3.356 12.278 ( -1.433 -2.713 -0.022) 3.068 12.813 ( -0.152 0.590 0.977) 1.151 12.843 ( -2.103 -1.517 0.194) 2.600 12.907 ( 1.058 -1.052 -1.345) 2.008 12.909 ( 0.805 -0.887 -0.442) 1.276 13.077 ( 4.024 -0.327 1.140) 4.195 13.087 ( 2.392 -0.970 0.425) 2.616 13.382 ( 2.484 3.331 0.140) 4.157 13.429 ( 2.319 -1.198 0.176) 2.616 13.633 ( -0.705 0.248 1.687) 1.845 13.653 ( -0.318 -1.627 0.958) 1.914 13.731 ( -1.404 0.993 -1.432) 2.238 13.750 ( -1.359 -0.672 -0.200) 1.530 13.896 ( 1.157 1.479 0.675) 1.995 13.910 ( 2.268 0.172 0.221) 2.285 14.154 ( 1.672 4.896 -0.639) 5.213 14.263 ( 4.594 -5.566 -1.950) 7.476 14.685 ( 0.580 2.817 0.438) 2.909 14.755 ( 3.593 -4.570 0.995) 5.898 15.084 ( -0.299 12.190 -0.586) 12.207 15.302 ( -2.573 -7.500 0.397) 7.939 15.382 ( 0.773 1.035 -0.082) 1.294 15.409 ( 0.573 -3.229 0.512) 3.319 15.700 ( -3.233 1.280 -0.692) 3.545 15.727 ( -3.281 -1.240 0.687) 3.574 22.222 ( -0.085 6.108 -0.435) 6.124 22.318 ( -4.117 2.161 1.935) 5.037 22.338 ( -0.765 -3.135 -0.410) 3.253 22.366 ( -1.272 -3.910 0.935) 4.216 22.593 ( -4.234 2.073 1.597) 4.978 22.637 ( -2.967 -1.833 1.482) 3.790 22.709 ( 1.890 3.697 -1.920) 4.574 22.785 ( 2.595 -3.546 -4.316) 6.159 23.059 ( -3.973 4.525 -4.224) 7.355 23.116 ( -2.966 -1.654 -1.864) 3.874 23.329 ( -3.086 0.686 0.483) 3.198 23.344 ( -2.628 -0.667 0.616) 2.781 23.542 ( 4.465 3.472 1.335) 5.812 23.625 ( 3.078 -4.603 0.376) 5.550 23.692 ( -1.658 6.506 -0.831) 6.765 23.812 ( -1.398 -5.267 0.735) 5.499 23.975 ( -0.606 1.907 0.814) 2.160 24.020 ( 0.308 -2.329 1.218) 2.646 24.061 ( 2.542 0.766 0.153) 2.659 24.081 ( 2.070 -1.042 -0.788) 2.448 24.218 ( 2.708 2.309 -0.140) 3.562 24.251 ( 2.481 -0.599 0.951) 2.724 24.277 ( -1.086 3.050 -1.943) 3.776 24.322 ( -0.003 -0.582 -0.005) 0.582 24.377 ( 1.547 -2.069 -2.482) 3.583 24.386 ( -0.636 -3.173 -1.703) 3.657 24.821 ( -7.753 1.795 3.509) 8.697 24.854 ( -6.770 -1.280 3.231) 7.610 25.266 ( 0.179 1.236 -1.055) 1.635 25.299 ( 1.764 -2.030 -1.361) 3.014 25.487 ( 6.394 3.270 0.346) 7.190 25.563 ( 7.762 -4.722 1.223) 9.168 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 6.734 10.830 3.592) 13.250 1.129 ( 5.707 2.830 0.942) 6.439 1.421 ( 5.090 3.324 -0.677) 6.117 1.498 ( 4.572 -4.564 -0.978) 6.533 1.563 ( 5.162 4.836 3.929) 8.091 1.610 ( 6.435 0.172 5.838) 8.690 1.736 ( 4.777 1.032 -1.898) 5.243 1.760 ( -0.106 2.638 -6.876) 7.366 1.799 ( 0.788 -3.170 5.193) 6.135 1.873 ( -2.795 -2.645 -3.549) 5.235 1.896 ( 0.988 -0.407 -3.035) 3.218 1.912 ( -7.514 3.617 9.853) 12.908 1.985 ( -2.251 -5.863 -0.324) 6.288 2.034 ( -4.254 -1.807 1.084) 4.748 2.035 ( -3.406 1.414 -0.985) 3.817 2.153 ( -5.124 -7.511 5.618) 10.688 2.324 ( 4.614 6.697 -0.638) 8.158 2.402 ( -2.204 -1.969 1.214) 3.195 2.463 ( 4.405 8.880 -0.760) 9.942 2.553 ( 4.258 0.331 -0.962) 4.378 2.605 ( 2.944 4.280 -5.797) 7.784 2.648 ( 3.972 4.689 -0.475) 6.163 2.686 ( 0.939 -0.968 -5.598) 5.758 2.775 ( -0.302 -1.921 0.177) 1.953 2.835 ( 1.636 1.286 -0.939) 2.283 2.879 ( -2.514 0.169 1.351) 2.859 2.896 ( 3.479 -0.177 -2.213) 4.126 3.026 ( 2.806 -10.739 -3.920) 11.772 3.079 ( 4.164 -0.473 4.116) 5.874 3.088 ( -0.452 -1.330 3.258) 3.548 3.284 ( -6.059 5.672 0.172) 8.301 3.325 ( -1.516 3.169 -0.128) 3.515 3.459 ( -2.671 3.624 -0.695) 4.555 3.516 ( -4.823 1.784 -1.632) 5.396 3.568 ( -2.307 1.884 2.159) 3.679 3.633 ( 0.437 -5.367 2.499) 5.937 3.665 ( -2.058 -2.405 -0.704) 3.243 3.695 ( -2.933 -5.246 1.480) 6.190 3.839 ( -0.486 3.492 -1.133) 3.704 3.880 ( -5.505 4.230 -0.503) 6.961 3.909 ( 0.338 -1.467 -0.362) 1.548 3.976 ( -4.934 -1.084 -3.918) 6.393 4.113 ( 0.267 1.257 2.077) 2.442 4.145 ( -0.250 -0.903 0.061) 0.939 4.214 ( 2.073 0.594 -1.862) 2.849 4.230 ( -2.035 -1.074 -0.914) 2.476 4.296 ( -2.432 2.203 -0.073) 3.283 4.340 ( -4.807 -3.282 -1.688) 6.060 4.417 ( -1.633 -2.561 -3.664) 4.759 4.446 ( -4.550 -4.202 2.288) 6.603 4.561 ( 1.029 0.727 0.718) 1.450 4.597 ( 0.338 -3.282 0.759) 3.385 4.888 ( 2.751 11.714 -0.674) 12.051 5.116 ( 1.894 -10.405 -1.295) 10.655 5.205 ( 1.069 4.728 1.055) 4.961 5.291 ( 2.425 -2.985 1.154) 4.015 5.379 ( 1.023 4.491 1.056) 4.725 5.463 ( 1.599 -3.180 1.590) 3.899 5.584 ( 2.586 1.244 1.110) 3.077 5.587 ( 3.947 0.994 -0.019) 4.070 5.858 ( 2.884 -0.439 -1.453) 3.259 5.871 ( 1.672 -1.346 -0.765) 2.278 6.066 ( -0.944 7.030 1.465) 7.243 6.210 ( 3.395 -7.124 0.972) 7.951 6.361 ( -4.536 5.291 -0.349) 6.978 6.471 ( -5.202 -5.219 -0.018) 7.369 6.692 ( 3.294 2.056 0.519) 3.918 6.730 ( 0.513 -1.044 0.344) 1.213 6.891 ( -2.774 4.327 0.270) 5.147 6.989 ( -0.629 -4.936 -0.482) 5.000 7.144 ( 0.680 0.680 -0.548) 1.107 7.172 ( 1.102 -2.058 -0.174) 2.341 7.795 ( 1.900 2.067 1.176) 3.044 7.824 ( 1.716 0.550 2.622) 3.181 7.874 ( -0.157 1.554 -2.773) 3.183 7.942 ( -0.451 -3.079 -1.066) 3.290 8.065 ( 0.935 1.516 -0.638) 1.891 8.120 ( 0.998 -4.214 0.434) 4.353 8.297 ( -0.722 5.788 -0.326) 5.842 8.427 ( 0.027 -6.788 0.394) 6.800 8.908 ( -0.450 3.351 0.460) 3.412 8.993 ( -0.452 -4.756 0.388) 4.793 9.141 ( -0.095 0.879 -0.309) 0.936 9.160 ( -0.013 -1.122 -0.988) 1.495 9.418 ( 0.330 1.325 -0.819) 1.593 9.444 ( 0.532 -1.502 -0.502) 1.671 9.485 ( 0.201 1.648 0.149) 1.666 9.518 ( -0.672 -1.476 0.683) 1.760 9.689 ( -1.456 2.165 1.333) 2.930 9.724 ( -1.287 -1.420 1.136) 2.228 9.954 ( 0.152 0.256 0.112) 0.318 9.961 ( 0.071 -0.435 -0.891) 0.994 11.851 ( 0.102 1.183 1.150) 1.654 11.872 ( 0.153 -0.818 -0.519) 0.981 11.928 ( -0.682 1.005 0.061) 1.215 11.944 ( -1.068 -0.459 -0.388) 1.225 11.982 ( -2.127 4.272 -0.041) 4.773 12.059 ( -1.728 -2.973 -1.050) 3.595 12.197 ( -0.893 3.954 -0.268) 4.063 12.260 ( -0.498 -2.187 0.124) 2.247 12.807 ( -0.536 -0.335 0.555) 0.841 12.813 ( -0.928 -0.820 -0.042) 1.239 12.927 ( 1.064 -1.096 -0.894) 1.770 12.936 ( 1.465 -2.021 -0.109) 2.499 13.115 ( 0.491 0.754 0.775) 1.187 13.128 ( 1.484 -0.709 0.501) 1.720 13.437 ( 2.778 4.038 -0.242) 4.907 13.488 ( 3.121 -0.953 0.233) 3.272 13.624 ( -0.220 -0.006 1.535) 1.551 13.646 ( -0.469 -1.792 1.707) 2.519 13.703 ( -1.152 0.425 -1.511) 1.947 13.720 ( -1.537 -1.155 -0.827) 2.093 13.920 ( 1.191 2.481 0.436) 2.786 13.951 ( 1.727 -0.403 0.190) 1.784 14.191 ( 1.796 7.701 -0.784) 7.946 14.345 ( 3.548 -7.293 -1.720) 8.291 14.700 ( 0.715 5.340 1.410) 5.569 14.822 ( 2.824 -7.100 0.791) 7.682 15.088 ( 0.778 9.858 -1.571) 10.013 15.249 ( -2.564 -4.769 -0.250) 5.420 15.396 ( 0.161 -0.424 0.894) 1.003 15.411 ( 0.066 -3.072 0.690) 3.149 15.641 ( -2.520 0.432 0.297) 2.574 15.658 ( -3.312 -1.189 -0.416) 3.544 22.218 ( -0.312 6.206 -0.639) 6.246 22.244 ( -2.958 3.973 1.003) 5.054 22.298 ( -2.309 -1.875 0.654) 3.045 22.362 ( 0.265 -7.131 0.262) 7.141 22.533 ( -1.902 3.215 0.286) 3.747 22.593 ( -1.838 -2.684 0.729) 3.334 22.735 ( 0.949 4.580 -1.311) 4.857 22.817 ( 1.053 -3.355 -2.451) 4.286 23.001 ( -1.882 4.476 -2.436) 5.433 23.064 ( -1.976 -1.937 -1.475) 3.135 23.276 ( -2.184 1.430 0.818) 2.735 23.301 ( -1.775 -1.136 0.586) 2.187 23.596 ( 1.009 5.180 1.036) 5.378 23.661 ( 0.797 0.221 -1.376) 1.605 23.674 ( 0.290 1.224 0.193) 1.273 23.774 ( -2.150 -5.645 0.030) 6.041 23.975 ( 0.271 1.992 0.677) 2.121 24.027 ( 0.229 -3.104 0.673) 3.185 24.102 ( 1.553 0.593 0.536) 1.746 24.111 ( 1.024 -0.256 -0.553) 1.192 24.253 ( -0.592 2.637 -0.249) 2.715 24.274 ( 1.048 2.780 -0.758) 3.066 24.292 ( 1.712 0.435 0.879) 1.973 24.320 ( -0.008 -1.168 0.207) 1.186 24.392 ( 2.919 -0.218 -4.145) 5.074 24.456 ( 6.494 -5.258 -2.566) 8.740 24.663 ( -8.435 2.418 4.262) 9.755 24.729 ( -6.784 -3.710 3.719) 8.580 25.277 ( 0.733 2.390 -0.820) 2.631 25.332 ( 1.448 -2.942 -1.088) 3.454 25.606 ( 5.344 2.371 -0.143) 5.848 25.666 ( 2.829 -3.782 1.359) 4.915 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 7.025 0.000) 7.025 1.176 ( 0.000 3.062 0.000) 3.062 1.484 ( 0.000 2.391 0.000) 2.391 1.550 ( 0.000 -4.292 -0.000) 4.292 1.638 ( 0.000 9.253 -0.000) 9.253 1.699 ( -0.000 1.624 -0.000) 1.624 1.715 ( 0.000 6.031 0.000) 6.031 1.728 ( 0.000 0.347 0.000) 0.347 1.810 ( 0.000 1.296 0.000) 1.296 1.852 ( 0.000 -1.485 -0.000) 1.485 1.873 ( 0.000 -4.312 -0.000) 4.312 1.954 ( -0.000 -2.215 0.000) 2.215 1.962 ( 0.000 -2.255 -0.000) 2.255 1.968 ( -0.000 0.609 0.000) 0.609 1.972 ( 0.000 -5.119 -0.000) 5.119 2.081 ( 0.000 -12.283 0.000) 12.283 2.364 ( 0.000 0.291 -0.000) 0.291 2.369 ( -0.000 -0.133 0.000) 0.133 2.555 ( -0.000 4.886 -0.000) 4.886 2.579 ( 0.000 4.299 -0.000) 4.299 2.643 ( 0.000 3.654 -0.000) 3.654 2.680 ( 0.000 1.777 0.000) 1.777 2.709 ( 0.000 4.719 0.000) 4.719 2.775 ( 0.000 -4.554 0.000) 4.554 2.835 ( 0.000 2.480 -0.000) 2.480 2.890 ( 0.000 -0.372 -0.000) 0.372 2.938 ( 0.000 1.452 -0.000) 1.452 3.004 ( 0.000 -3.811 0.000) 3.811 3.116 ( 0.000 5.888 -0.000) 5.888 3.179 ( 0.000 3.636 -0.000) 3.636 3.227 ( 0.000 4.523 0.000) 4.523 3.280 ( 0.000 2.438 -0.000) 2.438 3.419 ( 0.000 3.373 -0.000) 3.373 3.438 ( 0.000 0.850 -0.000) 0.850 3.541 ( 0.000 -2.739 0.000) 2.739 3.599 ( 0.000 -9.098 0.000) 9.098 3.647 ( 0.000 -0.622 -0.000) 0.622 3.691 ( 0.000 -4.414 0.000) 4.414 3.819 ( 0.000 3.485 0.000) 3.485 3.844 ( 0.000 3.207 0.000) 3.207 3.909 ( 0.000 -4.729 -0.000) 4.729 3.911 ( -0.000 -3.110 0.000) 3.110 4.104 ( 0.000 3.444 -0.000) 3.444 4.168 ( 0.000 -2.612 -0.000) 2.612 4.187 ( 0.000 2.163 0.000) 2.163 4.237 ( 0.000 -0.558 -0.000) 0.558 4.263 ( 0.000 0.557 0.000) 0.557 4.317 ( 0.000 -6.801 -0.000) 6.801 4.369 ( 0.000 0.733 -0.000) 0.733 4.420 ( 0.000 -3.595 0.000) 3.595 4.581 ( 0.000 0.386 0.000) 0.386 4.608 ( 0.000 -2.858 0.000) 2.858 4.919 ( 0.000 10.867 -0.000) 10.867 5.133 ( 0.000 -9.821 -0.000) 9.821 5.217 ( 0.000 5.442 0.000) 5.442 5.319 ( 0.000 -3.486 0.000) 3.486 5.386 ( 0.000 3.994 -0.000) 3.994 5.470 ( 0.000 -3.206 0.000) 3.206 5.606 ( 0.000 2.416 0.000) 2.416 5.631 ( 0.000 -0.101 0.000) 0.101 5.901 ( 0.000 0.174 -0.000) 0.174 5.916 ( 0.000 -1.172 0.000) 1.172 6.030 ( 0.000 10.164 0.000) 10.164 6.232 ( 0.000 -9.500 0.000) 9.500 6.316 ( 0.000 4.575 0.000) 4.575 6.416 ( 0.000 -5.304 0.000) 5.304 6.728 ( 0.000 0.941 0.000) 0.941 6.738 ( 0.000 -0.698 0.000) 0.698 6.859 ( 0.000 6.161 -0.000) 6.161 6.983 ( 0.000 -5.845 -0.000) 5.845 7.151 ( 0.000 1.030 0.000) 1.030 7.183 ( 0.000 -2.129 0.000) 2.129 7.815 ( 0.000 2.557 0.000) 2.557 7.848 ( -0.000 4.631 -0.000) 4.631 7.864 ( 0.000 -2.413 0.000) 2.413 7.938 ( 0.000 -3.502 0.000) 3.502 8.074 ( 0.000 1.765 0.000) 1.765 8.131 ( 0.000 -4.213 0.000) 4.213 8.290 ( 0.000 6.276 -0.000) 6.276 8.428 ( 0.000 -7.175 -0.000) 7.175 8.904 ( 0.000 3.242 -0.000) 3.242 8.988 ( 0.000 -4.857 0.000) 4.857 9.140 ( 0.000 0.825 -0.000) 0.825 9.158 ( 0.000 -1.049 -0.000) 1.049 9.421 ( 0.000 1.558 0.000) 1.558 9.450 ( 0.000 -1.464 -0.000) 1.464 9.489 ( 0.000 0.876 0.000) 0.876 9.510 ( 0.000 -1.073 0.000) 1.073 9.675 ( 0.000 2.115 -0.000) 2.115 9.711 ( 0.000 -1.570 -0.000) 1.570 9.955 ( 0.000 0.332 -0.000) 0.332 9.962 ( 0.000 -0.408 -0.000) 0.408 11.851 ( 0.000 1.439 0.000) 1.439 11.874 ( 0.000 -0.834 0.000) 0.834 11.923 ( 0.000 0.338 -0.000) 0.338 11.935 ( 0.000 -0.765 0.000) 0.765 11.959 ( 0.000 4.670 -0.000) 4.670 12.041 ( 0.000 -3.383 -0.000) 3.383 12.188 ( 0.000 4.518 -0.000) 4.518 12.256 ( 0.000 -2.204 0.000) 2.204 12.799 ( 0.000 -0.245 0.000) 0.245 12.806 ( 0.000 -1.324 0.000) 1.324 12.938 ( 0.000 -1.053 0.000) 1.053 12.952 ( 0.000 -2.319 -0.000) 2.319 13.117 ( 0.000 1.453 0.000) 1.453 13.141 ( 0.000 -0.999 -0.000) 0.999 13.467 ( 0.000 4.855 0.000) 4.855 13.521 ( 0.000 -0.298 -0.000) 0.298 13.626 ( 0.000 -0.933 -0.000) 0.933 13.639 ( 0.000 -1.722 0.000) 1.722 13.693 ( 0.000 -0.203 -0.000) 0.203 13.702 ( 0.000 -1.064 -0.000) 1.064 13.933 ( 0.000 2.888 -0.000) 2.888 13.968 ( 0.000 -0.457 0.000) 0.457 14.209 ( 0.000 8.770 0.000) 8.770 14.380 ( 0.000 -7.795 -0.000) 7.795 14.708 ( 0.000 6.433 -0.000) 6.433 14.850 ( 0.000 -7.580 -0.000) 7.580 15.100 ( 0.000 8.536 0.000) 8.536 15.220 ( 0.000 -2.870 0.000) 2.870 15.394 ( 0.000 -1.425 -0.000) 1.425 15.414 ( 0.000 -3.746 0.000) 3.746 15.613 ( 0.000 0.209 -0.000) 0.209 15.627 ( 0.000 -1.053 0.000) 1.053 22.207 ( 0.000 5.063 0.000) 5.063 22.224 ( 0.000 5.683 0.000) 5.683 22.275 ( 0.000 -2.296 0.000) 2.296 22.365 ( 0.000 -7.625 0.000) 7.625 22.517 ( 0.000 2.916 0.000) 2.916 22.573 ( 0.000 -2.545 -0.000) 2.545 22.743 ( 0.000 4.808 -0.000) 4.808 22.826 ( 0.000 -3.274 -0.000) 3.274 22.983 ( 0.000 4.231 -0.000) 4.231 23.045 ( 0.000 -1.962 -0.000) 1.962 23.255 ( 0.000 1.720 0.000) 1.720 23.284 ( 0.000 -1.275 -0.000) 1.275 23.601 ( 0.000 7.355 0.000) 7.355 23.665 ( 0.000 0.887 0.000) 0.887 23.685 ( 0.000 -0.501 0.000) 0.501 23.749 ( 0.000 -6.456 -0.000) 6.456 23.979 ( 0.000 1.940 -0.000) 1.940 24.029 ( 0.000 -3.080 0.000) 3.080 24.117 ( 0.000 0.310 0.000) 0.310 24.120 ( -0.000 0.161 -0.000) 0.161 24.247 ( 0.000 2.628 0.000) 2.628 24.278 ( 0.000 1.816 -0.000) 1.816 24.304 ( 0.000 -0.640 -0.000) 0.640 24.321 ( 0.000 -0.965 0.000) 0.965 24.490 ( 0.000 4.478 -0.000) 4.478 24.513 ( -0.000 0.974 0.000) 0.974 24.595 ( -0.000 -4.822 0.000) 4.822 24.603 ( 0.000 -6.107 -0.000) 6.107 25.285 ( 0.000 2.705 -0.000) 2.705 25.346 ( 0.000 -3.234 0.000) 3.234 25.671 ( 0.000 -0.112 0.000) 0.112 25.679 ( 0.000 -0.876 -0.000) 0.876 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -7.919 0.000 15.961) 17.817 0.475 ( -6.885 0.000 22.332) 23.369 0.860 ( 2.689 0.000 37.498) 37.595 1.235 ( 4.470 0.000 -6.803) 8.140 1.320 ( 0.151 0.000 6.192) 6.193 1.608 ( -3.859 0.000 15.482) 15.956 1.611 ( 0.663 0.000 -1.680) 1.806 1.653 ( 2.750 0.000 6.798) 7.333 1.740 ( 5.578 0.000 1.519) 5.781 1.757 ( 0.585 0.000 -8.757) 8.777 1.898 ( 0.008 0.000 1.349) 1.349 1.902 ( -1.181 0.000 0.453) 1.265 2.076 ( 2.327 0.000 -5.259) 5.751 2.210 ( -0.047 0.000 -9.300) 9.300 2.214 ( 3.554 0.000 -4.842) 6.007 2.391 ( 5.980 0.000 0.713) 6.022 2.438 ( -6.522 0.000 0.815) 6.573 2.450 ( -10.937 0.000 2.293) 11.175 2.468 ( 1.727 0.000 -4.413) 4.739 2.584 ( 9.454 0.000 -2.238) 9.715 2.588 ( 3.273 0.000 -5.460) 6.366 2.669 ( -3.646 0.000 6.007) 7.027 2.704 ( 0.188 0.000 0.743) 0.766 2.776 ( -7.661 0.000 4.758) 9.018 2.829 ( -0.719 0.000 -0.920) 1.168 2.944 ( 2.440 0.000 -1.532) 2.881 3.004 ( 3.274 0.000 -6.586) 7.355 3.039 ( 3.428 0.000 0.440) 3.456 3.086 ( -2.264 0.000 10.505) 10.746 3.113 ( -4.137 0.000 2.256) 4.712 3.295 ( -1.650 0.000 4.633) 4.918 3.311 ( -1.945 0.000 5.916) 6.227 3.355 ( -3.432 0.000 -14.820) 15.212 3.441 ( 1.236 0.000 6.940) 7.049 3.588 ( -0.181 0.000 -4.924) 4.928 3.627 ( -1.495 0.000 -4.587) 4.824 3.651 ( -0.937 0.000 -3.090) 3.229 3.795 ( 10.982 0.000 4.898) 12.025 3.821 ( -1.074 0.000 2.215) 2.461 3.967 ( -0.254 0.000 0.885) 0.921 4.004 ( -1.256 0.000 3.986) 4.179 4.056 ( -5.046 0.000 -2.231) 5.517 4.083 ( 1.937 0.000 4.147) 4.577 4.100 ( 0.909 0.000 6.597) 6.659 4.195 ( 1.740 0.000 3.847) 4.222 4.363 ( -0.496 0.000 -4.923) 4.948 4.369 ( 0.415 0.000 -2.458) 2.493 4.463 ( 0.862 0.000 -4.151) 4.240 4.508 ( -2.038 0.000 -3.076) 3.690 4.647 ( 6.589 0.000 -5.334) 8.477 4.670 ( -1.581 0.000 -3.006) 3.397 4.712 ( 3.223 0.000 0.688) 3.295 4.929 ( -19.233 0.000 1.961) 19.332 5.085 ( 0.835 0.000 -1.429) 1.655 5.129 ( 1.805 0.000 -2.599) 3.164 5.187 ( 5.653 0.000 -1.680) 5.897 5.289 ( -4.509 0.000 0.327) 4.521 5.331 ( 10.695 0.000 0.917) 10.734 5.441 ( -0.291 0.000 -0.258) 0.389 5.448 ( -1.270 0.000 -2.316) 2.641 5.890 ( -1.984 0.000 -1.172) 2.304 5.920 ( 1.885 0.000 -1.565) 2.450 6.012 ( 0.246 0.000 1.326) 1.349 6.027 ( 3.275 0.000 0.861) 3.386 6.364 ( 0.315 0.000 1.922) 1.947 6.434 ( 7.915 0.000 0.466) 7.928 6.665 ( 1.023 0.000 1.543) 1.851 6.708 ( 1.509 0.000 0.840) 1.727 6.713 ( -0.710 0.000 -1.593) 1.744 7.064 ( -1.020 0.000 -6.415) 6.496 7.145 ( -1.313 0.000 3.248) 3.503 7.267 ( -2.362 0.000 2.063) 3.136 7.694 ( 1.694 0.000 -0.429) 1.747 7.748 ( -0.676 0.000 -2.167) 2.270 7.847 ( -1.106 0.000 -0.330) 1.154 8.005 ( 0.762 0.000 0.641) 0.996 8.058 ( 1.667 0.000 -7.217) 7.407 8.080 ( -6.294 0.000 -0.954) 6.366 8.399 ( -2.196 0.000 6.747) 7.095 8.581 ( 0.583 0.000 0.234) 0.628 8.858 ( 1.062 0.000 0.923) 1.407 9.054 ( 0.892 0.000 -5.253) 5.328 9.155 ( -1.572 0.000 -0.430) 1.630 9.166 ( -1.001 0.000 -0.721) 1.234 9.388 ( 0.362 0.000 0.514) 0.629 9.415 ( -0.878 0.000 0.251) 0.913 9.480 ( 0.167 0.000 1.261) 1.272 9.579 ( 1.159 0.000 -0.529) 1.274 9.643 ( 0.368 0.000 4.505) 4.520 9.809 ( 1.139 0.000 3.089) 3.292 9.949 ( -2.955 0.000 -3.038) 4.238 9.987 ( -0.747 0.000 -0.905) 1.174 11.756 ( -0.102 0.000 0.337) 0.352 11.868 ( 0.144 0.000 -2.180) 2.185 11.920 ( 0.488 0.000 0.491) 0.692 11.962 ( -1.043 0.000 -0.784) 1.305 12.014 ( 4.163 0.000 1.968) 4.604 12.127 ( -0.711 0.000 -0.125) 0.722 12.214 ( -10.640 0.000 0.160) 10.641 12.264 ( 0.253 0.000 -1.476) 1.498 12.863 ( -2.657 0.000 0.287) 2.672 12.910 ( 1.284 0.000 2.154) 2.508 12.916 ( -1.958 0.000 -0.849) 2.134 12.999 ( 0.728 0.000 1.587) 1.746 13.070 ( 5.983 0.000 -1.171) 6.097 13.087 ( 3.197 0.000 -0.311) 3.212 13.264 ( -0.754 0.000 1.918) 2.061 13.411 ( 0.509 0.000 -1.045) 1.162 13.637 ( 1.433 0.000 -1.483) 2.062 13.665 ( 0.287 0.000 -2.062) 2.082 13.768 ( 0.554 0.000 2.351) 2.415 13.823 ( -1.698 0.000 1.142) 2.046 13.895 ( -2.609 0.000 3.521) 4.382 14.105 ( 3.014 0.000 -1.380) 3.315 14.250 ( -5.783 0.000 1.676) 6.021 14.313 ( -7.120 0.000 0.778) 7.162 14.637 ( 3.495 0.000 -0.360) 3.513 14.696 ( -0.167 0.000 -0.965) 0.979 14.801 ( 12.119 0.000 1.738) 12.243 15.097 ( -0.752 0.000 -4.741) 4.801 15.351 ( -0.315 0.000 1.618) 1.648 15.365 ( 1.040 0.000 0.672) 1.239 15.701 ( 1.022 0.000 2.177) 2.405 15.932 ( -0.910 0.000 -2.734) 2.881 22.040 ( 0.068 0.000 -0.482) 0.487 22.070 ( -0.128 0.000 -1.262) 1.268 22.465 ( -0.469 0.000 1.264) 1.348 22.501 ( -0.650 0.000 0.244) 0.694 22.503 ( 3.324 0.000 -1.666) 3.718 22.617 ( 1.589 0.000 -0.005) 1.589 22.750 ( 2.284 0.000 2.736) 3.564 22.890 ( -0.989 0.000 5.687) 5.772 22.976 ( -16.336 0.000 -1.838) 16.439 23.282 ( -1.445 0.000 -2.073) 2.527 23.337 ( 1.652 0.000 -0.671) 1.783 23.381 ( -0.828 0.000 -0.492) 0.963 23.430 ( -0.420 0.000 0.883) 0.977 23.538 ( -22.609 0.000 5.190) 23.197 23.753 ( -5.237 0.000 -5.283) 7.439 23.893 ( 4.568 0.000 -0.790) 4.636 23.945 ( 5.418 0.000 0.954) 5.501 23.965 ( 2.224 0.000 -0.204) 2.233 24.011 ( -0.998 0.000 1.809) 2.066 24.126 ( -0.135 0.000 -0.918) 0.928 24.150 ( 0.332 0.000 0.497) 0.597 24.214 ( -0.129 0.000 -1.651) 1.656 24.238 ( 0.689 0.000 0.943) 1.168 24.294 ( -3.101 0.000 -0.074) 3.102 24.512 ( 0.279 0.000 -3.230) 3.242 24.535 ( 1.063 0.000 -1.258) 1.647 24.886 ( 2.657 0.000 5.379) 6.000 25.177 ( 12.905 0.000 -2.394) 13.126 25.238 ( -0.111 0.000 -0.182) 0.213 25.286 ( -2.108 0.000 -1.225) 2.438 25.337 ( -2.075 0.000 -0.013) 2.075 25.361 ( 6.288 0.000 -0.780) 6.336 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 19.855 0.000 5.628) 20.637 0.554 ( 12.809 0.000 13.300) 18.465 1.150 ( 20.947 0.000 26.447) 33.738 1.343 ( 6.716 0.000 -1.048) 6.797 1.386 ( 1.910 0.000 6.480) 6.755 1.572 ( 3.351 0.000 8.800) 9.416 1.624 ( 0.651 0.000 -4.121) 4.172 1.748 ( 6.284 0.000 1.769) 6.528 1.768 ( 2.299 0.000 -4.558) 5.105 1.823 ( -2.932 0.000 1.209) 3.171 1.856 ( 2.611 0.000 0.501) 2.659 1.902 ( -0.582 0.000 3.895) 3.938 2.121 ( 1.798 0.000 -0.145) 1.804 2.192 ( -10.918 0.000 -1.308) 10.996 2.204 ( -3.913 0.000 -4.163) 5.713 2.238 ( -5.346 0.000 -4.725) 7.135 2.288 ( -4.025 0.000 -3.918) 5.617 2.459 ( -0.473 0.000 -0.746) 0.883 2.506 ( 1.884 0.000 -4.950) 5.296 2.514 ( -12.160 0.000 2.381) 12.391 2.567 ( -5.769 0.000 2.781) 6.404 2.674 ( 3.820 0.000 -2.573) 4.606 2.702 ( 1.168 0.000 3.061) 3.276 2.764 ( 1.077 0.000 -4.046) 4.187 2.771 ( -2.793 0.000 -2.362) 3.657 2.992 ( -3.585 0.000 -0.679) 3.649 2.995 ( 2.293 0.000 1.768) 2.895 3.054 ( -1.499 0.000 6.410) 6.583 3.088 ( 0.905 0.000 2.139) 2.323 3.123 ( 6.791 0.000 1.064) 6.874 3.211 ( -4.909 0.000 5.161) 7.122 3.319 ( 0.478 0.000 3.741) 3.772 3.332 ( 0.594 0.000 -10.562) 10.579 3.491 ( -1.233 0.000 0.869) 1.509 3.535 ( -2.763 0.000 -8.739) 9.166 3.570 ( 0.419 0.000 5.173) 5.190 3.675 ( 2.012 0.000 -3.606) 4.130 3.865 ( 5.207 0.000 0.638) 5.246 3.904 ( -4.882 0.000 4.244) 6.469 3.963 ( -0.195 0.000 1.131) 1.148 3.978 ( 3.014 0.000 5.641) 6.395 4.002 ( -0.653 0.000 -4.249) 4.299 4.094 ( -0.979 0.000 5.281) 5.371 4.132 ( 0.190 0.000 6.571) 6.574 4.253 ( 2.691 0.000 1.127) 2.917 4.273 ( -4.088 0.000 2.052) 4.575 4.385 ( 2.267 0.000 -4.304) 4.864 4.385 ( -17.697 0.000 5.260) 18.462 4.477 ( -0.985 0.000 -0.273) 1.022 4.512 ( 1.401 0.000 -3.540) 3.808 4.676 ( -3.655 0.000 -1.852) 4.098 4.703 ( -5.145 0.000 2.449) 5.698 4.753 ( 0.857 0.000 2.103) 2.271 5.109 ( 1.007 0.000 -1.610) 1.899 5.192 ( 4.645 0.000 -2.013) 5.062 5.235 ( -0.307 0.000 -3.446) 3.460 5.273 ( 6.340 0.000 -1.038) 6.425 5.343 ( -0.688 0.000 -0.872) 1.111 5.419 ( -1.363 0.000 -1.925) 2.359 5.550 ( 3.728 0.000 -1.856) 4.164 5.867 ( -0.195 0.000 -1.988) 1.997 5.933 ( -0.196 0.000 -0.004) 0.196 6.009 ( -0.789 0.000 1.405) 1.611 6.211 ( 8.480 0.000 -4.723) 9.707 6.339 ( -2.910 0.000 2.622) 3.917 6.631 ( -0.156 0.000 -7.839) 7.841 6.678 ( 0.039 0.000 2.736) 2.736 6.728 ( 0.278 0.000 1.756) 1.778 6.782 ( 10.495 0.000 -10.109) 14.571 7.040 ( -0.764 0.000 -2.543) 2.656 7.119 ( -1.445 0.000 2.205) 2.636 7.225 ( -1.062 0.000 1.696) 2.001 7.725 ( -0.797 0.000 -1.654) 1.836 7.729 ( 1.672 0.000 0.290) 1.697 7.849 ( 1.456 0.000 -1.474) 2.072 8.008 ( -0.328 0.000 0.758) 0.826 8.012 ( -0.135 0.000 1.561) 1.567 8.081 ( 0.864 0.000 -7.150) 7.202 8.362 ( -1.640 0.000 6.533) 6.736 8.594 ( 0.735 0.000 0.352) 0.815 8.879 ( 0.777 0.000 2.017) 2.161 9.077 ( 1.789 0.000 -6.187) 6.441 9.131 ( -0.828 0.000 0.124) 0.837 9.136 ( -1.240 0.000 0.582) 1.369 9.392 ( -0.187 0.000 0.597) 0.626 9.405 ( -0.105 0.000 -0.135) 0.170 9.508 ( 1.585 0.000 -2.099) 2.630 9.584 ( -0.588 0.000 0.165) 0.611 9.654 ( 0.387 0.000 4.648) 4.664 9.822 ( -0.053 0.000 3.731) 3.732 9.910 ( -0.203 0.000 -1.753) 1.765 9.966 ( -1.082 0.000 -1.147) 1.577 11.757 ( 0.243 0.000 0.125) 0.274 11.863 ( -0.450 0.000 -2.091) 2.139 11.932 ( -1.574 0.000 0.858) 1.792 11.940 ( 1.427 0.000 1.109) 1.808 12.003 ( -5.032 0.000 6.832) 8.485 12.092 ( -2.604 0.000 -0.864) 2.744 12.101 ( 0.608 0.000 -0.310) 0.683 12.268 ( 0.152 0.000 -1.008) 1.019 12.830 ( -0.946 0.000 -0.063) 0.948 12.894 ( -0.028 0.000 1.093) 1.093 12.941 ( 1.818 0.000 1.408) 2.299 13.030 ( 2.163 0.000 2.175) 3.067 13.075 ( 0.337 0.000 -0.911) 0.971 13.213 ( 2.677 0.000 -3.470) 4.382 13.255 ( -0.224 0.000 1.305) 1.324 13.434 ( 2.030 0.000 -1.664) 2.625 13.671 ( 1.968 0.000 -0.633) 2.067 13.674 ( 0.915 0.000 -1.954) 2.157 13.768 ( -0.949 0.000 3.021) 3.167 13.775 ( -4.280 0.000 2.935) 5.189 13.833 ( -1.217 0.000 0.852) 1.485 14.065 ( -5.711 0.000 0.405) 5.725 14.066 ( -4.335 0.000 11.641) 12.422 14.303 ( 5.018 0.000 -4.569) 6.787 14.669 ( -0.350 0.000 -2.691) 2.714 14.677 ( 0.288 0.000 2.146) 2.166 15.079 ( -0.149 0.000 -3.739) 3.742 15.240 ( 14.115 0.000 -11.060) 17.932 15.372 ( 2.099 0.000 0.456) 2.148 15.396 ( 4.438 0.000 -0.644) 4.484 15.687 ( -2.611 0.000 2.850) 3.865 15.835 ( -7.294 0.000 -1.156) 7.385 22.040 ( -0.032 0.000 -0.448) 0.449 22.058 ( -0.733 0.000 -1.290) 1.484 22.465 ( -0.527 0.000 1.154) 1.269 22.484 ( -0.032 0.000 -0.563) 0.564 22.497 ( -8.348 0.000 10.096) 13.100 22.553 ( -1.473 0.000 -1.455) 2.071 22.763 ( 2.780 0.000 -2.385) 3.663 22.789 ( 1.068 0.000 4.552) 4.675 22.895 ( 0.005 0.000 5.412) 5.412 23.210 ( -5.231 0.000 -1.528) 5.449 23.224 ( -5.734 0.000 2.741) 6.355 23.346 ( -0.616 0.000 -0.511) 0.801 23.458 ( 1.946 0.000 1.556) 2.492 23.518 ( 4.799 0.000 2.543) 5.431 23.660 ( -3.657 0.000 -5.877) 6.922 23.921 ( -1.237 0.000 -0.498) 1.333 23.987 ( -0.907 0.000 1.887) 2.093 24.022 ( 2.609 0.000 -0.932) 2.770 24.042 ( 3.953 0.000 0.535) 3.989 24.128 ( 0.194 0.000 -0.673) 0.700 24.164 ( 1.079 0.000 0.698) 1.285 24.229 ( 0.591 0.000 -1.272) 1.402 24.248 ( -0.316 0.000 -2.435) 2.456 24.259 ( 1.287 0.000 2.292) 2.628 24.472 ( -5.846 0.000 -2.518) 6.365 24.530 ( 1.890 0.000 -2.182) 2.887 24.915 ( -0.390 0.000 3.787) 3.807 24.977 ( -11.656 0.000 5.735) 12.990 25.230 ( -0.102 0.000 0.628) 0.636 25.341 ( 6.063 0.000 -3.126) 6.821 25.346 ( 2.565 0.000 -0.548) 2.622 25.725 ( 10.088 0.000 -10.693) 14.700 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 18.833 0.000 2.727) 19.029 0.892 ( 16.925 0.000 7.800) 18.636 1.285 ( -9.826 0.000 12.560) 15.947 1.450 ( 2.896 0.000 0.304) 2.911 1.486 ( 11.652 0.000 -1.065) 11.701 1.602 ( -3.778 0.000 -1.242) 3.977 1.744 ( -0.624 0.000 -3.431) 3.487 1.748 ( 3.250 0.000 -1.406) 3.541 1.831 ( 1.966 0.000 0.691) 2.084 1.860 ( -16.283 0.000 3.195) 16.593 1.930 ( 13.406 0.000 5.535) 14.503 1.972 ( 4.932 0.000 -2.456) 5.510 1.972 ( 15.069 0.000 2.171) 15.225 2.086 ( -3.467 0.000 -3.222) 4.733 2.136 ( -13.057 0.000 1.657) 13.161 2.183 ( 1.251 0.000 -1.844) 2.228 2.185 ( -4.528 0.000 -3.101) 5.488 2.281 ( -7.416 0.000 2.756) 7.912 2.403 ( -3.048 0.000 -6.677) 7.340 2.523 ( 1.217 0.000 -2.223) 2.534 2.589 ( 3.957 0.000 -8.567) 9.436 2.673 ( -1.199 0.000 0.758) 1.418 2.692 ( -4.736 0.000 -5.307) 7.113 2.772 ( 3.666 0.000 5.606) 6.699 2.806 ( 4.038 0.000 0.531) 4.073 2.911 ( -8.676 0.000 3.458) 9.340 2.975 ( 1.797 0.000 -3.278) 3.738 3.073 ( 3.172 0.000 7.386) 8.038 3.109 ( -3.905 0.000 8.444) 9.303 3.117 ( -7.115 0.000 0.884) 7.170 3.212 ( -1.348 0.000 0.329) 1.387 3.297 ( 1.096 0.000 5.401) 5.511 3.343 ( 3.576 0.000 -4.458) 5.715 3.433 ( -5.160 0.000 1.575) 5.395 3.515 ( 0.990 0.000 -8.905) 8.960 3.648 ( 3.668 0.000 5.770) 6.837 3.718 ( 2.167 0.000 -4.557) 5.047 3.743 ( -7.471 0.000 9.038) 11.726 3.924 ( -2.104 0.000 -0.836) 2.264 3.986 ( 4.610 0.000 0.509) 4.638 3.998 ( -4.140 0.000 3.687) 5.544 4.001 ( 0.426 0.000 0.580) 0.719 4.084 ( -2.298 0.000 5.186) 5.673 4.094 ( 1.432 0.000 1.189) 1.861 4.165 ( -3.955 0.000 3.869) 5.533 4.260 ( -1.579 0.000 -0.812) 1.775 4.295 ( 4.019 0.000 3.448) 5.296 4.425 ( 0.277 0.000 -5.937) 5.943 4.511 ( 5.438 0.000 1.540) 5.652 4.529 ( 0.657 0.000 -2.247) 2.342 4.560 ( -6.254 0.000 -0.481) 6.272 4.665 ( -1.130 0.000 2.691) 2.919 4.749 ( -1.222 0.000 1.005) 1.582 5.095 ( -1.719 0.000 -1.658) 2.388 5.267 ( 1.513 0.000 2.474) 2.899 5.291 ( 5.394 0.000 -7.298) 9.075 5.318 ( -0.973 0.000 -2.494) 2.677 5.396 ( 5.255 0.000 -1.672) 5.515 5.420 ( 2.989 0.000 -5.154) 5.958 5.577 ( -1.129 0.000 0.085) 1.132 5.893 ( 2.752 0.000 -1.926) 3.359 5.919 ( -1.751 0.000 3.521) 3.933 5.980 ( -1.984 0.000 1.780) 2.665 6.267 ( -4.243 0.000 2.794) 5.081 6.337 ( 4.673 0.000 -5.366) 7.116 6.589 ( -1.058 0.000 -5.372) 5.476 6.667 ( -1.259 0.000 3.334) 3.564 6.720 ( -1.150 0.000 2.863) 3.085 6.846 ( -1.691 0.000 -5.630) 5.878 7.056 ( 2.025 0.000 -4.054) 4.532 7.102 ( -0.205 0.000 1.198) 1.215 7.223 ( 0.231 0.000 -0.975) 1.002 7.724 ( 0.601 0.000 -1.110) 1.263 7.747 ( 0.125 0.000 0.027) 0.128 7.887 ( 2.123 0.000 -2.625) 3.376 8.001 ( -1.006 0.000 1.522) 1.825 8.029 ( 1.711 0.000 0.347) 1.746 8.079 ( -0.612 0.000 -5.898) 5.930 8.354 ( 0.554 0.000 6.007) 6.033 8.603 ( 0.069 0.000 -0.263) 0.272 8.890 ( 0.226 0.000 2.674) 2.683 9.108 ( 1.069 0.000 -4.885) 5.001 9.124 ( -0.104 0.000 0.363) 0.377 9.125 ( 0.699 0.000 -0.594) 0.917 9.382 ( -0.704 0.000 0.138) 0.718 9.411 ( 0.717 0.000 -1.078) 1.295 9.523 ( 0.302 0.000 -1.136) 1.175 9.563 ( -1.441 0.000 0.106) 1.445 9.658 ( -0.292 0.000 4.996) 5.004 9.811 ( -1.264 0.000 3.884) 4.085 9.916 ( 0.219 0.000 -2.754) 2.763 9.958 ( 0.556 0.000 -0.947) 1.098 11.765 ( 0.497 0.000 -0.117) 0.511 11.849 ( -0.935 0.000 -1.296) 1.598 11.917 ( -0.187 0.000 2.915) 2.921 11.944 ( -1.729 0.000 1.560) 2.329 11.969 ( 1.292 0.000 1.505) 1.983 12.041 ( -2.315 0.000 -1.098) 2.563 12.117 ( 0.971 0.000 1.163) 1.515 12.268 ( -0.100 0.000 -0.867) 0.873 12.821 ( -0.078 0.000 0.213) 0.226 12.900 ( 0.261 0.000 -0.215) 0.338 12.976 ( 1.685 0.000 0.490) 1.755 13.073 ( 1.887 0.000 2.612) 3.222 13.082 ( 0.120 0.000 -1.247) 1.253 13.205 ( -2.024 0.000 1.204) 2.355 13.258 ( 0.492 0.000 1.017) 1.130 13.471 ( 1.253 0.000 -2.843) 3.107 13.699 ( -0.226 0.000 2.394) 2.404 13.701 ( 1.909 0.000 -1.584) 2.481 13.720 ( -0.103 0.000 0.368) 0.382 13.736 ( -2.253 0.000 2.712) 3.525 13.840 ( 1.052 0.000 -1.210) 1.604 13.973 ( -3.549 0.000 -1.002) 3.687 14.038 ( -0.770 0.000 8.683) 8.717 14.405 ( 4.911 0.000 -4.351) 6.562 14.651 ( -2.404 0.000 1.047) 2.622 14.694 ( 3.016 0.000 -5.014) 5.851 15.106 ( 2.832 0.000 0.399) 2.860 15.292 ( -1.910 0.000 0.751) 2.053 15.415 ( 2.114 0.000 -0.382) 2.148 15.543 ( 7.226 0.000 -4.635) 8.585 15.614 ( -4.820 0.000 2.239) 5.314 15.700 ( -6.496 0.000 -1.924) 6.775 22.039 ( -0.074 0.000 -0.490) 0.496 22.050 ( -0.022 0.000 -1.786) 1.786 22.396 ( -2.806 0.000 6.075) 6.691 22.439 ( -1.332 0.000 0.486) 1.418 22.516 ( 2.824 0.000 -0.635) 2.895 22.552 ( 0.365 0.000 -2.031) 2.064 22.772 ( -3.394 0.000 4.838) 5.909 22.835 ( 3.416 0.000 -2.070) 3.994 22.909 ( 1.448 0.000 5.445) 5.634 23.127 ( -2.577 0.000 -0.360) 2.602 23.158 ( -1.775 0.000 1.508) 2.329 23.318 ( -1.964 0.000 -1.020) 2.213 23.480 ( 0.514 0.000 1.777) 1.849 23.599 ( 2.698 0.000 -0.026) 2.698 23.622 ( 0.016 0.000 -4.537) 4.537 23.878 ( -2.306 0.000 -2.211) 3.194 23.976 ( -0.567 0.000 2.359) 2.426 24.062 ( 2.062 0.000 -1.153) 2.362 24.092 ( 1.322 0.000 0.281) 1.352 24.129 ( -0.090 0.000 -0.797) 0.802 24.193 ( 1.902 0.000 0.524) 1.973 24.218 ( -0.193 0.000 -0.127) 0.231 24.274 ( 1.346 0.000 -2.110) 2.503 24.285 ( 1.217 0.000 3.678) 3.874 24.362 ( -4.756 0.000 -3.242) 5.757 24.585 ( 3.667 0.000 -3.364) 4.977 24.800 ( -7.906 0.000 6.223) 10.062 24.878 ( -3.162 0.000 1.026) 3.324 25.239 ( 0.620 0.000 1.639) 1.753 25.408 ( 3.388 0.000 1.074) 3.554 25.468 ( 6.857 0.000 -5.421) 8.741 25.782 ( -1.305 0.000 -4.919) 5.089 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -11.462 0.000 6.671) 13.262 1.193 ( 11.215 0.000 -7.103) 13.275 1.220 ( 7.456 0.000 15.887) 17.550 1.370 ( -11.053 0.000 2.429) 11.317 1.532 ( -12.274 0.000 3.644) 12.803 1.598 ( 6.057 0.000 -4.019) 7.269 1.669 ( 10.073 0.000 -11.318) 15.151 1.732 ( -3.129 0.000 1.732) 3.576 1.822 ( -1.208 0.000 -0.488) 1.302 1.854 ( -1.709 0.000 -0.892) 1.928 1.898 ( -2.106 0.000 0.470) 2.157 1.951 ( -2.760 0.000 -0.633) 2.832 2.048 ( -0.391 0.000 -3.973) 3.992 2.049 ( -5.449 0.000 -0.897) 5.522 2.147 ( -2.885 0.000 -0.583) 2.943 2.170 ( 6.099 0.000 -2.168) 6.473 2.267 ( 2.103 0.000 -0.544) 2.172 2.357 ( 1.634 0.000 -2.557) 3.035 2.401 ( 13.847 0.000 -0.206) 13.849 2.540 ( -9.722 0.000 0.458) 9.732 2.601 ( -4.443 0.000 -2.709) 5.204 2.616 ( -0.284 0.000 -3.700) 3.711 2.661 ( 4.309 0.000 -3.696) 5.677 2.742 ( -2.819 0.000 3.249) 4.302 2.854 ( 5.135 0.000 5.954) 7.862 2.864 ( -7.051 0.000 -0.203) 7.054 2.938 ( 5.519 0.000 5.134) 7.537 3.056 ( 4.761 0.000 -0.858) 4.837 3.103 ( 2.199 0.000 6.993) 7.331 3.111 ( -4.924 0.000 0.982) 5.021 3.142 ( 1.006 0.000 -2.767) 2.945 3.250 ( -9.166 0.000 11.469) 14.681 3.370 ( 2.297 0.000 4.336) 4.907 3.432 ( 4.037 0.000 0.783) 4.112 3.533 ( 1.211 0.000 -7.852) 7.945 3.625 ( -3.079 0.000 2.867) 4.207 3.740 ( 0.790 0.000 -2.833) 2.941 3.760 ( 1.954 0.000 7.689) 7.933 3.887 ( -1.543 0.000 -0.450) 1.607 3.887 ( -4.588 0.000 1.889) 4.962 3.988 ( -1.003 0.000 1.792) 2.054 4.068 ( 3.037 0.000 1.194) 3.263 4.082 ( 0.457 0.000 4.246) 4.270 4.133 ( 1.123 0.000 1.376) 1.776 4.151 ( 0.842 0.000 1.425) 1.655 4.224 ( -0.794 0.000 -1.788) 1.957 4.391 ( 5.572 0.000 3.853) 6.774 4.416 ( -0.401 0.000 -4.677) 4.694 4.457 ( -3.667 0.000 1.473) 3.952 4.576 ( 3.945 0.000 -0.937) 4.054 4.608 ( 3.046 0.000 -0.313) 3.062 4.637 ( -1.667 0.000 3.562) 3.933 4.712 ( -2.492 0.000 -1.554) 2.937 5.069 ( -0.563 0.000 -3.728) 3.770 5.242 ( -3.232 0.000 4.353) 5.422 5.294 ( -1.272 0.000 -3.872) 4.076 5.383 ( 4.273 0.000 -8.852) 9.830 5.474 ( 2.997 0.000 -1.747) 3.469 5.515 ( -4.882 0.000 -1.010) 4.985 5.523 ( 6.233 0.000 -4.545) 7.715 5.835 ( -6.698 0.000 4.369) 7.996 5.936 ( 1.082 0.000 -0.092) 1.086 5.971 ( 0.611 0.000 5.233) 5.268 6.215 ( -0.565 0.000 1.014) 1.161 6.367 ( -0.349 0.000 -7.464) 7.472 6.602 ( 0.783 0.000 -5.415) 5.471 6.641 ( -1.405 0.000 2.384) 2.767 6.694 ( -1.477 0.000 3.189) 3.515 6.791 ( -2.518 0.000 -1.787) 3.088 7.089 ( 1.471 0.000 -4.860) 5.077 7.114 ( 1.283 0.000 1.402) 1.901 7.229 ( 0.627 0.000 -1.572) 1.692 7.733 ( -1.503 0.000 -0.788) 1.697 7.738 ( 0.701 0.000 -0.212) 0.732 7.911 ( 0.426 0.000 -2.396) 2.433 7.982 ( -0.911 0.000 0.391) 0.991 8.058 ( -1.042 0.000 -4.701) 4.815 8.063 ( 1.898 0.000 1.217) 2.255 8.382 ( 1.750 0.000 5.923) 6.176 8.596 ( -0.709 0.000 -1.033) 1.253 8.887 ( -0.608 0.000 2.153) 2.238 9.100 ( -1.093 0.000 -1.901) 2.192 9.131 ( 0.698 0.000 0.651) 0.955 9.160 ( 2.103 0.000 -2.518) 3.281 9.368 ( -0.683 0.000 -0.399) 0.791 9.430 ( 1.276 0.000 -1.983) 2.358 9.524 ( -0.132 0.000 -0.098) 0.165 9.535 ( -1.358 0.000 -0.404) 1.417 9.650 ( -0.795 0.000 5.227) 5.287 9.786 ( -1.313 0.000 3.408) 3.652 9.918 ( 0.459 0.000 -1.760) 1.819 9.978 ( 1.201 0.000 -1.319) 1.784 11.772 ( 0.184 0.000 -0.132) 0.226 11.832 ( -0.647 0.000 -0.616) 0.893 11.919 ( 0.028 0.000 2.444) 2.444 11.932 ( 0.441 0.000 -0.180) 0.476 11.970 ( -1.375 0.000 0.537) 1.476 12.028 ( 1.327 0.000 -0.044) 1.328 12.148 ( 2.375 0.000 2.888) 3.739 12.265 ( -0.077 0.000 -1.072) 1.074 12.826 ( 0.621 0.000 0.797) 1.010 12.896 ( -0.758 0.000 -1.629) 1.796 12.999 ( 0.646 0.000 -0.107) 0.655 13.071 ( -1.089 0.000 -0.155) 1.100 13.089 ( -0.735 0.000 3.061) 3.148 13.170 ( -1.596 0.000 0.652) 1.724 13.272 ( 0.737 0.000 1.356) 1.543 13.471 ( -0.744 0.000 -2.916) 3.010 13.679 ( -1.338 0.000 0.732) 1.526 13.695 ( -1.726 0.000 1.354) 2.193 13.740 ( 1.630 0.000 -0.793) 1.813 13.746 ( 1.859 0.000 1.752) 2.554 13.859 ( 0.878 0.000 -0.789) 1.180 13.931 ( -0.612 0.000 -1.446) 1.570 14.023 ( -1.294 0.000 6.339) 6.469 14.466 ( 1.878 0.000 -0.013) 1.878 14.617 ( -0.941 0.000 -4.479) 4.577 14.761 ( 3.583 0.000 -4.807) 5.995 15.154 ( 0.965 0.000 5.220) 5.308 15.247 ( -2.344 0.000 1.803) 2.957 15.442 ( 0.344 0.000 -0.829) 0.898 15.539 ( -1.789 0.000 0.187) 1.799 15.558 ( -6.121 0.000 -4.703) 7.719 15.675 ( 4.923 0.000 -0.885) 5.002 22.037 ( -0.045 0.000 -0.572) 0.573 22.053 ( 0.383 0.000 -1.892) 1.930 22.372 ( -0.277 0.000 3.512) 3.523 22.427 ( 0.195 0.000 0.546) 0.580 22.561 ( 0.605 0.000 -1.792) 1.891 22.580 ( 3.663 0.000 -1.153) 3.840 22.681 ( -5.521 0.000 3.713) 6.653 22.874 ( 1.020 0.000 1.981) 2.228 22.962 ( 3.386 0.000 4.984) 6.026 23.116 ( 1.096 0.000 0.949) 1.450 23.154 ( 1.279 0.000 1.842) 2.243 23.285 ( -1.150 0.000 -2.233) 2.512 23.481 ( -0.543 0.000 1.505) 1.600 23.619 ( 0.072 0.000 -1.580) 1.582 23.650 ( 2.830 0.000 -2.348) 3.677 23.850 ( -0.389 0.000 -2.875) 2.902 23.961 ( -1.107 0.000 1.969) 2.259 24.097 ( -0.743 0.000 -0.458) 0.873 24.099 ( 1.771 0.000 -0.752) 1.924 24.123 ( -0.402 0.000 -1.256) 1.319 24.226 ( 0.879 0.000 0.426) 0.977 24.227 ( 1.254 0.000 0.461) 1.336 24.294 ( 1.023 0.000 -0.834) 1.321 24.300 ( -1.570 0.000 -2.366) 2.839 24.311 ( 1.264 0.000 2.461) 2.767 24.636 ( 1.150 0.000 -5.337) 5.460 24.681 ( -4.652 0.000 5.861) 7.482 24.819 ( -2.519 0.000 1.132) 2.761 25.245 ( -0.115 0.000 1.511) 1.515 25.458 ( 1.421 0.000 2.704) 3.054 25.577 ( 4.591 0.000 -7.757) 9.013 25.711 ( -5.475 0.000 -2.162) 5.887 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -14.475 0.000 9.510) 17.320 1.063 ( -18.463 0.000 9.832) 20.918 1.225 ( -3.301 0.000 -11.399) 11.867 1.340 ( 3.562 0.000 15.603) 16.004 1.508 ( 5.381 0.000 -5.405) 7.627 1.613 ( -11.307 0.000 4.405) 12.135 1.672 ( -5.077 0.000 4.058) 6.500 1.774 ( -3.382 0.000 -5.557) 6.505 1.812 ( -8.003 0.000 -1.815) 8.206 1.830 ( 11.593 0.000 -1.322) 11.668 1.907 ( 1.008 0.000 -4.206) 4.325 1.945 ( -0.641 0.000 -3.614) 3.670 1.964 ( -18.518 0.000 3.133) 18.782 2.044 ( 9.510 0.000 -3.174) 10.026 2.073 ( 3.905 0.000 4.485) 5.947 2.150 ( -0.444 0.000 -2.485) 2.524 2.203 ( -3.164 0.000 -4.546) 5.538 2.377 ( 7.653 0.000 3.431) 8.387 2.446 ( -0.321 0.000 -0.307) 0.444 2.530 ( -2.445 0.000 -1.120) 2.689 2.616 ( 8.036 0.000 -3.357) 8.709 2.622 ( 1.766 0.000 -1.287) 2.185 2.722 ( 2.896 0.000 0.081) 2.897 2.768 ( -1.273 0.000 6.068) 6.200 2.863 ( -2.029 0.000 -6.074) 6.404 2.963 ( 4.672 0.000 6.735) 8.197 3.007 ( 6.034 0.000 3.920) 7.195 3.018 ( -3.003 0.000 -4.286) 5.233 3.083 ( -3.640 0.000 1.174) 3.825 3.143 ( 0.505 0.000 -0.425) 0.659 3.181 ( 3.893 0.000 7.099) 8.096 3.260 ( 6.892 0.000 4.870) 8.439 3.412 ( 4.003 0.000 2.044) 4.495 3.499 ( 3.042 0.000 -1.052) 3.219 3.535 ( -1.227 0.000 -8.900) 8.984 3.556 ( -4.014 0.000 3.451) 5.293 3.707 ( -5.170 0.000 7.056) 8.747 3.760 ( 0.502 0.000 -3.807) 3.840 3.860 ( -0.260 0.000 2.634) 2.646 3.902 ( 3.951 0.000 0.459) 3.977 3.970 ( -0.932 0.000 1.798) 2.025 4.083 ( -3.366 0.000 2.178) 4.009 4.101 ( 1.305 0.000 4.001) 4.208 4.125 ( 0.914 0.000 4.559) 4.650 4.177 ( 2.432 0.000 -0.587) 2.502 4.252 ( 2.197 0.000 -1.852) 2.873 4.401 ( -2.471 0.000 6.276) 6.745 4.403 ( -1.444 0.000 -5.164) 5.362 4.500 ( 4.690 0.000 -1.834) 5.036 4.607 ( -2.105 0.000 1.521) 2.597 4.627 ( 1.318 0.000 3.806) 4.028 4.659 ( -2.697 0.000 -3.476) 4.400 4.681 ( 6.625 0.000 4.210) 7.849 5.070 ( 0.632 0.000 -4.768) 4.810 5.178 ( -3.312 0.000 3.579) 4.876 5.263 ( -1.946 0.000 -4.978) 5.345 5.406 ( -6.213 0.000 -2.266) 6.613 5.437 ( 1.906 0.000 -7.668) 7.902 5.511 ( 0.935 0.000 -1.959) 2.170 5.545 ( -5.643 0.000 0.821) 5.703 5.776 ( 2.787 0.000 -0.601) 2.851 5.930 ( -1.289 0.000 0.339) 1.333 5.987 ( 0.695 0.000 5.420) 5.464 6.252 ( 3.790 0.000 0.707) 3.855 6.330 ( -3.695 0.000 -8.072) 8.878 6.562 ( -4.044 0.000 -3.939) 5.645 6.627 ( 0.068 0.000 0.766) 0.769 6.675 ( -0.563 0.000 2.615) 2.675 6.767 ( -0.866 0.000 -1.803) 2.000 7.101 ( 0.001 0.000 -5.850) 5.850 7.143 ( 1.352 0.000 2.472) 2.818 7.251 ( 1.689 0.000 -0.461) 1.751 7.698 ( -1.776 0.000 -1.531) 2.344 7.746 ( 0.184 0.000 -0.024) 0.185 7.903 ( -1.013 0.000 -1.463) 1.779 7.974 ( 0.160 0.000 -0.774) 0.790 8.040 ( -0.541 0.000 -4.626) 4.657 8.101 ( 2.036 0.000 1.474) 2.513 8.415 ( 1.138 0.000 6.242) 6.345 8.580 ( -0.710 0.000 -1.301) 1.482 8.871 ( -1.064 0.000 0.911) 1.401 9.074 ( -1.362 0.000 -2.433) 2.789 9.147 ( 0.852 0.000 0.891) 1.233 9.187 ( 0.704 0.000 -1.530) 1.684 9.361 ( 0.143 0.000 -0.276) 0.311 9.448 ( 0.314 0.000 -1.630) 1.660 9.519 ( -0.457 0.000 0.268) 0.529 9.521 ( 0.287 0.000 -1.140) 1.176 9.638 ( -0.535 0.000 5.114) 5.142 9.773 ( -0.146 0.000 2.768) 2.772 9.936 ( 1.400 0.000 -0.866) 1.646 9.995 ( 0.585 0.000 -1.470) 1.582 11.770 ( -0.401 0.000 0.052) 0.404 11.829 ( 0.512 0.000 -0.262) 0.575 11.921 ( 0.213 0.000 1.470) 1.485 11.941 ( -1.379 0.000 0.089) 1.382 11.952 ( 1.314 0.000 0.838) 1.559 12.068 ( 2.535 0.000 0.520) 2.587 12.211 ( 3.953 0.000 3.407) 5.218 12.264 ( 0.001 0.000 -1.475) 1.475 12.845 ( 1.300 0.000 1.167) 1.747 12.874 ( -1.107 0.000 -1.344) 1.741 13.000 ( -0.765 0.000 0.481) 0.904 13.044 ( -3.718 0.000 2.718) 4.605 13.053 ( -0.734 0.000 -0.889) 1.153 13.138 ( -1.968 0.000 -0.279) 1.987 13.282 ( 0.111 0.000 1.987) 1.990 13.450 ( -1.245 0.000 -3.312) 3.538 13.648 ( -1.768 0.000 -0.219) 1.782 13.672 ( -0.792 0.000 -0.111) 0.800 13.753 ( -0.031 0.000 0.648) 0.649 13.796 ( 3.569 0.000 4.987) 6.132 13.868 ( 0.017 0.000 0.126) 0.127 13.956 ( 3.078 0.000 -2.082) 3.716 14.000 ( -1.129 0.000 4.237) 4.385 14.500 ( 2.135 0.000 1.580) 2.656 14.586 ( -2.981 0.000 -4.216) 5.164 14.795 ( -0.183 0.000 -1.771) 1.780 15.135 ( -2.315 0.000 3.278) 4.013 15.214 ( -1.898 0.000 -3.414) 3.906 15.422 ( -1.888 0.000 0.336) 1.918 15.424 ( -7.060 0.000 -6.454) 9.566 15.569 ( 3.991 0.000 -0.603) 4.037 15.773 ( 5.303 0.000 2.042) 5.683 22.037 ( 0.051 0.000 -0.607) 0.609 22.060 ( 0.420 0.000 -1.655) 1.708 22.386 ( 1.605 0.000 2.350) 2.846 22.446 ( 1.522 0.000 0.747) 1.696 22.573 ( 0.769 0.000 -1.445) 1.637 22.575 ( -4.280 0.000 2.494) 4.954 22.658 ( 3.059 0.000 -0.907) 3.191 22.887 ( 0.365 0.000 4.085) 4.101 23.026 ( 2.912 0.000 5.809) 6.497 23.165 ( 3.949 0.000 1.193) 4.125 23.216 ( 5.366 0.000 2.769) 6.038 23.277 ( 0.496 0.000 -3.158) 3.197 23.461 ( -1.660 0.000 0.217) 1.674 23.623 ( 0.999 0.000 0.297) 1.042 23.717 ( 4.145 0.000 -1.179) 4.309 23.856 ( 0.746 0.000 -3.331) 3.413 23.938 ( -1.248 0.000 1.328) 1.823 24.069 ( -1.938 0.000 -0.269) 1.956 24.109 ( -0.740 0.000 -1.679) 1.835 24.129 ( 0.989 0.000 -0.727) 1.227 24.236 ( -0.116 0.000 0.413) 0.429 24.241 ( 0.281 0.000 0.514) 0.586 24.278 ( -1.361 0.000 -4.474) 4.676 24.316 ( 1.337 0.000 -0.148) 1.345 24.336 ( 1.237 0.000 4.496) 4.663 24.606 ( -3.531 0.000 -5.764) 6.759 24.647 ( 1.158 0.000 5.228) 5.355 24.803 ( 0.658 0.000 2.186) 2.283 25.239 ( -0.425 0.000 0.923) 1.016 25.457 ( -1.697 0.000 3.200) 3.622 25.557 ( -7.735 0.000 -2.820) 8.233 25.647 ( 0.142 0.000 -8.984) 8.985 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -9.097 0.000 16.028) 18.430 0.721 ( -17.503 0.000 16.593) 24.118 1.160 ( -30.734 0.000 22.566) 38.128 1.190 ( 0.592 0.000 -10.075) 10.093 1.366 ( -2.716 0.000 11.716) 12.027 1.596 ( -1.455 0.000 2.512) 2.903 1.601 ( 1.435 0.000 -2.462) 2.850 1.641 ( 3.807 0.000 0.571) 3.850 1.726 ( -5.384 0.000 4.847) 7.245 1.767 ( -3.872 0.000 -1.717) 4.236 1.885 ( 1.669 0.000 -2.958) 3.396 1.941 ( -2.289 0.000 -1.489) 2.730 2.068 ( 0.657 0.000 -7.614) 7.643 2.138 ( 3.915 0.000 -0.846) 4.006 2.177 ( 3.704 0.000 -7.652) 8.501 2.234 ( 8.905 0.000 2.314) 9.201 2.286 ( 14.129 0.000 -1.836) 14.247 2.472 ( 2.334 0.000 2.506) 3.424 2.505 ( 5.723 0.000 -2.595) 6.284 2.505 ( -0.602 0.000 -2.239) 2.319 2.649 ( -7.701 0.000 3.741) 8.562 2.680 ( 3.156 0.000 0.704) 3.233 2.709 ( -1.218 0.000 -4.372) 4.539 2.810 ( 3.940 0.000 0.884) 4.038 2.834 ( 3.374 0.000 2.370) 4.123 2.921 ( -7.787 0.000 0.259) 7.791 2.974 ( 0.007 0.000 -6.255) 6.255 3.038 ( -1.423 0.000 2.501) 2.877 3.094 ( 1.866 0.000 10.622) 10.785 3.147 ( -0.198 0.000 1.355) 1.369 3.284 ( -0.073 0.000 6.779) 6.779 3.354 ( 3.052 0.000 4.191) 5.185 3.458 ( -5.319 0.000 -12.833) 13.892 3.486 ( -3.983 0.000 5.481) 6.775 3.512 ( 9.122 0.000 -1.562) 9.254 3.551 ( 2.314 0.000 -2.189) 3.185 3.669 ( 1.281 0.000 -0.234) 1.302 3.715 ( -3.726 0.000 -4.942) 6.189 3.878 ( -2.182 0.000 5.312) 5.743 3.957 ( 0.608 0.000 0.222) 0.647 3.979 ( 3.234 0.000 3.079) 4.465 4.032 ( 0.134 0.000 3.923) 3.925 4.107 ( -1.037 0.000 5.827) 5.918 4.141 ( -0.278 0.000 2.978) 2.991 4.233 ( -5.317 0.000 -0.012) 5.317 4.281 ( 7.883 0.000 -5.722) 9.741 4.363 ( -0.420 0.000 -2.275) 2.314 4.389 ( 2.776 0.000 4.538) 5.320 4.550 ( 0.833 0.000 -2.948) 3.064 4.558 ( -2.999 0.000 -2.472) 3.887 4.650 ( 2.416 0.000 -1.338) 2.761 4.673 ( 2.341 0.000 1.239) 2.649 4.860 ( 13.299 0.000 11.968) 17.891 5.078 ( 0.347 0.000 -3.225) 3.244 5.130 ( -1.639 0.000 0.732) 1.796 5.199 ( -6.153 0.000 -5.861) 8.497 5.293 ( -4.263 0.000 -3.021) 5.225 5.397 ( -6.775 0.000 2.068) 7.083 5.463 ( -0.186 0.000 -5.118) 5.121 5.504 ( -1.759 0.000 -1.211) 2.135 5.860 ( 4.417 0.000 -2.069) 4.877 5.909 ( -0.678 0.000 0.001) 0.678 6.002 ( 0.596 0.000 2.859) 2.920 6.198 ( -10.179 0.000 -7.660) 12.739 6.327 ( 3.315 0.000 1.494) 3.636 6.463 ( -6.135 0.000 -2.731) 6.715 6.642 ( 1.217 0.000 0.507) 1.319 6.680 ( 1.046 0.000 1.368) 1.723 6.736 ( -1.799 0.000 -1.367) 2.259 7.086 ( -0.946 0.000 -6.755) 6.821 7.158 ( -0.062 0.000 3.329) 3.330 7.280 ( 0.875 0.000 0.676) 1.106 7.677 ( -0.104 0.000 -1.442) 1.446 7.749 ( 0.226 0.000 -1.012) 1.037 7.876 ( -1.644 0.000 -0.595) 1.749 7.986 ( 1.055 0.000 -0.637) 1.233 8.037 ( 0.660 0.000 -5.855) 5.892 8.134 ( 0.699 0.000 -0.451) 0.831 8.424 ( -0.676 0.000 6.572) 6.606 8.573 ( 0.095 0.000 -0.603) 0.611 8.854 ( -0.617 0.000 0.248) 0.665 9.053 ( -0.510 0.000 -3.681) 3.716 9.162 ( 0.719 0.000 0.267) 0.767 9.183 ( -1.040 0.000 -0.976) 1.426 9.374 ( 1.001 0.000 0.345) 1.059 9.436 ( -1.181 0.000 -0.213) 1.200 9.502 ( -1.419 0.000 0.646) 1.559 9.546 ( 2.024 0.000 -1.397) 2.459 9.637 ( 0.043 0.000 4.701) 4.701 9.784 ( 1.088 0.000 2.604) 2.822 9.965 ( 1.318 0.000 -1.475) 1.978 9.996 ( -0.310 0.000 -1.667) 1.695 11.761 ( -0.436 0.000 0.274) 0.515 11.852 ( 1.616 0.000 -1.057) 1.931 11.922 ( -0.633 0.000 0.142) 0.649 11.937 ( 1.846 0.000 2.946) 3.476 11.973 ( 0.637 0.000 0.559) 0.847 12.114 ( 1.869 0.000 0.521) 1.941 12.263 ( -0.013 0.000 -1.754) 1.754 12.284 ( 2.514 0.000 0.506) 2.564 12.874 ( 1.509 0.000 1.014) 1.818 12.878 ( 2.518 0.000 0.858) 2.660 12.943 ( -4.564 0.000 2.697) 5.301 13.001 ( -0.837 0.000 0.732) 1.112 13.030 ( -2.026 0.000 -2.185) 2.980 13.102 ( -1.432 0.000 0.198) 1.446 13.277 ( -0.638 0.000 2.253) 2.341 13.422 ( -1.376 0.000 -2.379) 2.749 13.625 ( -0.256 0.000 -0.995) 1.027 13.664 ( -0.067 0.000 -1.459) 1.461 13.755 ( 0.423 0.000 1.625) 1.680 13.850 ( -0.857 0.000 1.967) 2.146 13.894 ( 3.225 0.000 7.275) 7.958 14.028 ( 4.271 0.000 -2.046) 4.736 14.030 ( 7.895 0.000 4.183) 8.935 14.472 ( -7.865 0.000 2.174) 8.160 14.564 ( 3.637 0.000 -1.624) 3.983 14.757 ( -3.405 0.000 0.136) 3.407 15.058 ( -16.634 0.000 -14.101) 21.807 15.106 ( -0.514 0.000 -2.555) 2.607 15.348 ( -0.109 0.000 -0.256) 0.278 15.380 ( -2.376 0.000 1.577) 2.852 15.651 ( 3.925 0.000 0.783) 4.003 15.876 ( 5.126 0.000 1.905) 5.468 22.038 ( 0.121 0.000 -0.560) 0.573 22.066 ( 0.348 0.000 -1.309) 1.354 22.434 ( 3.290 0.000 1.003) 3.439 22.472 ( 0.600 0.000 1.020) 1.184 22.514 ( -1.853 0.000 1.553) 2.417 22.590 ( 1.132 0.000 -0.727) 1.345 22.708 ( 2.205 0.000 0.413) 2.243 22.893 ( -0.048 0.000 5.177) 5.178 23.072 ( 1.135 0.000 3.378) 3.563 23.255 ( 4.474 0.000 0.407) 4.493 23.296 ( 1.659 0.000 -3.080) 3.498 23.342 ( 6.066 0.000 1.010) 6.150 23.420 ( -2.038 0.000 -1.739) 2.680 23.694 ( 6.916 0.000 6.280) 9.341 23.798 ( 4.348 0.000 -1.420) 4.574 23.841 ( -2.650 0.000 -4.491) 5.215 23.935 ( 1.109 0.000 0.865) 1.406 24.033 ( -1.610 0.000 0.892) 1.840 24.066 ( -6.815 0.000 -6.458) 9.389 24.137 ( -0.178 0.000 -0.696) 0.719 24.188 ( -6.976 0.000 -6.792) 9.736 24.231 ( -1.154 0.000 -0.527) 1.269 24.233 ( -0.134 0.000 0.282) 0.312 24.332 ( -0.339 0.000 1.054) 1.108 24.413 ( 7.696 0.000 8.516) 11.478 24.534 ( -2.748 0.000 -5.274) 5.947 24.750 ( 11.146 0.000 8.373) 13.941 24.834 ( 2.244 0.000 3.906) 4.504 25.235 ( 0.052 0.000 0.119) 0.130 25.392 ( -8.444 0.000 -1.331) 8.548 25.402 ( -3.889 0.000 2.154) 4.446 25.580 ( -8.352 0.000 -12.736) 15.230 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -0.895 18.444 9.039) 20.560 0.694 ( 0.721 16.982 14.513) 22.350 1.159 ( 1.773 18.990 16.661) 25.325 1.279 ( 2.059 5.966 -3.590) 7.261 1.363 ( -2.131 3.123 4.410) 5.808 1.598 ( 3.925 -0.789 6.341) 7.499 1.608 ( 0.640 0.383 3.070) 3.159 1.657 ( -3.579 3.110 10.170) 11.221 1.746 ( 2.745 -1.174 3.041) 4.261 1.807 ( -1.618 -0.096 -7.882) 8.047 1.854 ( 1.398 0.114 -2.929) 3.248 1.903 ( 0.958 1.534 0.373) 1.847 2.041 ( 0.643 -1.717 -0.533) 1.909 2.161 ( 3.812 -4.000 -3.749) 6.678 2.221 ( -1.196 -0.618 -6.638) 6.773 2.296 ( 3.431 -7.344 0.153) 8.107 2.342 ( 2.319 -8.050 -4.786) 9.648 2.401 ( -0.785 -2.739 -2.269) 3.642 2.444 ( -1.417 -1.229 0.145) 1.881 2.535 ( -2.127 -3.050 -0.878) 3.820 2.628 ( -3.835 -0.682 5.311) 6.586 2.656 ( 1.329 1.975 -1.356) 2.739 2.738 ( 0.537 0.258 1.299) 1.429 2.795 ( -2.216 -3.124 -1.948) 4.297 2.818 ( -3.828 1.182 0.657) 4.060 2.895 ( -1.193 -0.500 3.794) 4.008 2.992 ( 1.237 -1.543 0.735) 2.110 3.022 ( 4.583 0.281 5.693) 7.314 3.057 ( 0.413 -1.742 1.016) 2.058 3.197 ( -0.764 2.862 3.338) 4.463 3.337 ( -4.443 -1.207 0.783) 4.670 3.354 ( -4.105 5.603 0.451) 6.961 3.411 ( 2.430 7.784 -0.997) 8.216 3.486 ( -0.566 1.682 -1.572) 2.371 3.581 ( -3.381 -0.936 -2.316) 4.203 3.604 ( 2.907 0.906 -0.888) 3.171 3.750 ( -2.243 6.577 -3.686) 7.866 3.816 ( 6.661 2.164 0.448) 7.018 3.866 ( 0.059 3.488 2.345) 4.204 3.942 ( 0.184 -2.589 2.410) 3.542 4.017 ( -0.022 -2.223 4.550) 5.064 4.074 ( 1.033 0.002 4.211) 4.336 4.094 ( 0.478 1.901 5.635) 5.966 4.119 ( -5.411 -2.711 -0.558) 6.078 4.162 ( 0.035 2.926 -1.427) 3.255 4.281 ( -0.629 -2.689 -2.678) 3.847 4.407 ( -0.258 -2.737 0.236) 2.759 4.443 ( 2.529 -0.912 -5.156) 5.814 4.497 ( -0.270 -3.333 -2.690) 4.292 4.508 ( 1.242 -2.586 -3.191) 4.291 4.678 ( 0.217 -0.797 -1.097) 1.373 4.726 ( -0.912 2.610 -0.330) 2.785 4.802 ( -5.659 -5.719 3.099) 8.622 5.034 ( -0.584 -3.457 -4.991) 6.099 5.142 ( 2.253 1.070 -1.830) 3.093 5.189 ( 5.510 -0.542 -1.838) 5.834 5.294 ( 0.762 0.939 -1.434) 1.876 5.344 ( -2.599 -0.665 2.543) 3.697 5.441 ( 0.200 0.588 -0.123) 0.633 5.547 ( 2.665 1.819 -2.134) 3.869 5.864 ( -3.532 -0.554 -2.245) 4.222 5.940 ( 0.724 0.714 -1.312) 1.660 6.007 ( 0.296 -1.089 1.278) 1.705 6.012 ( 2.240 -0.417 1.441) 2.696 6.397 ( 0.374 3.161 1.586) 3.556 6.455 ( 1.997 3.824 0.375) 4.330 6.644 ( 0.416 -3.284 0.566) 3.359 6.765 ( 1.643 1.692 -2.947) 3.774 6.820 ( 1.798 8.049 -5.220) 9.760 7.048 ( -1.237 -0.965 -3.399) 3.744 7.120 ( -0.799 -2.579 0.837) 2.827 7.210 ( -1.567 -4.540 2.023) 5.212 7.698 ( 1.081 0.559 -0.247) 1.242 7.760 ( 0.445 0.814 -2.332) 2.510 7.839 ( -1.503 -0.260 0.485) 1.600 7.995 ( 0.575 -1.198 -0.269) 1.356 8.042 ( -2.776 -1.355 0.734) 3.175 8.068 ( 0.833 0.138 -5.273) 5.340 8.366 ( -1.577 -2.463 5.647) 6.359 8.525 ( 0.656 -4.471 -0.306) 4.529 8.877 ( 0.771 1.862 0.971) 2.237 9.064 ( 0.107 -0.375 -4.815) 4.831 9.111 ( 0.064 -2.119 0.094) 2.122 9.158 ( -1.205 -1.276 -1.300) 2.184 9.407 ( -0.438 1.224 0.963) 1.618 9.438 ( -0.026 1.980 0.299) 2.003 9.467 ( -0.593 -1.031 1.418) 1.851 9.571 ( 0.895 -1.171 -0.289) 1.502 9.695 ( 1.287 3.382 1.028) 3.761 9.805 ( 0.886 -0.427 2.546) 2.729 9.939 ( -1.405 -0.361 -1.020) 1.774 9.978 ( -0.700 -0.773 -0.761) 1.291 11.785 ( 0.522 1.776 -1.305) 2.265 11.868 ( -0.186 -0.482 -2.106) 2.169 11.940 ( 0.973 1.821 0.103) 2.067 11.965 ( -0.545 0.422 -0.392) 0.793 12.037 ( 2.546 1.941 0.812) 3.303 12.131 ( -0.848 0.045 -0.058) 0.851 12.185 ( -5.267 -0.344 1.555) 5.502 12.291 ( -0.956 0.185 -3.492) 3.625 12.864 ( -1.258 -1.125 2.064) 2.666 12.881 ( 0.036 -0.167 0.058) 0.181 12.945 ( -1.763 1.097 -0.251) 2.092 12.974 ( -0.055 -1.705 2.250) 2.824 13.024 ( 6.651 -3.699 0.975) 7.673 13.079 ( -0.424 -0.877 -0.649) 1.170 13.302 ( -0.032 3.066 1.415) 3.377 13.409 ( 0.578 0.020 -0.889) 1.060 13.627 ( 1.306 -0.708 -0.944) 1.760 13.660 ( 0.339 -0.864 -1.870) 2.088 13.775 ( 0.137 0.878 2.190) 2.364 13.834 ( -2.218 0.246 0.626) 2.317 13.896 ( -3.362 -0.428 3.303) 4.732 13.992 ( 3.783 -7.613 12.013) 14.716 14.104 ( 2.629 -0.214 -1.779) 3.182 14.287 ( -5.791 -3.591 0.436) 6.828 14.665 ( -1.973 1.699 0.424) 2.638 14.775 ( 5.918 -0.419 1.240) 6.061 14.834 ( -1.444 9.277 0.002) 9.388 15.293 ( 1.425 6.499 -12.524) 14.181 15.365 ( 0.500 1.267 -0.062) 1.363 15.378 ( 0.714 1.160 0.644) 1.507 15.683 ( 0.148 -1.001 1.573) 1.870 15.867 ( -0.599 -4.691 0.185) 4.733 22.101 ( -0.229 4.188 -1.350) 4.406 22.193 ( 1.649 7.642 -5.589) 9.610 22.439 ( 0.087 -2.305 1.499) 2.751 22.461 ( -0.253 -1.671 2.022) 2.636 22.578 ( 0.870 4.346 -2.456) 5.067 22.631 ( 3.505 0.659 -1.611) 3.914 22.723 ( 1.727 -1.988 2.482) 3.619 22.903 ( -2.614 -1.668 4.221) 5.238 22.999 ( -13.071 3.766 -1.718) 13.711 23.227 ( -3.622 -3.834 3.009) 6.072 23.326 ( 0.219 0.293 -2.119) 2.150 23.380 ( -0.059 -0.367 -1.088) 1.150 23.438 ( 1.940 1.148 1.585) 2.756 23.608 ( -8.678 4.986 1.972) 10.201 23.685 ( -1.069 -5.086 -1.491) 5.407 23.898 ( 2.487 -0.964 0.419) 2.700 23.934 ( 3.202 0.338 -3.496) 4.753 23.985 ( 2.147 0.833 -0.644) 2.391 24.006 ( -1.539 -0.141 0.994) 1.838 24.103 ( -0.348 -2.025 -0.414) 2.096 24.161 ( 0.083 1.067 0.459) 1.165 24.218 ( -1.010 0.648 -1.603) 2.002 24.246 ( 1.060 0.376 0.855) 1.413 24.300 ( -1.551 0.676 -0.008) 1.692 24.414 ( 1.231 -4.013 0.725) 4.260 24.501 ( -1.910 -4.598 -1.036) 5.086 24.907 ( 3.030 1.796 4.638) 5.824 25.054 ( 6.061 -4.370 3.464) 8.236 25.265 ( 0.014 -0.614 -1.965) 2.059 25.291 ( -4.825 -1.404 -1.778) 5.330 25.386 ( -4.461 2.537 -1.881) 5.466 25.387 ( 9.840 2.051 -1.617) 10.181 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 13.018 16.273 3.651) 21.157 0.808 ( 9.997 15.587 10.997) 21.537 1.322 ( 10.215 13.610 10.301) 19.892 1.369 ( 6.613 3.587 1.168) 7.614 1.441 ( 8.135 4.453 3.867) 10.048 1.575 ( -1.806 1.087 8.836) 9.084 1.639 ( 2.164 1.828 -3.496) 4.500 1.699 ( 5.896 -4.145 7.465) 10.376 1.767 ( -0.987 -2.184 -0.290) 2.414 1.795 ( 1.347 -1.105 -2.140) 2.759 1.880 ( 1.142 2.512 -0.695) 2.846 1.921 ( 0.656 3.469 0.828) 3.626 2.043 ( -0.540 -3.327 1.108) 3.548 2.136 ( -4.992 -6.010 -0.850) 7.859 2.181 ( -10.096 -2.840 -0.692) 10.511 2.252 ( 0.137 1.675 -4.720) 5.010 2.319 ( -0.447 1.298 -7.572) 7.695 2.406 ( -6.092 -5.190 -0.040) 8.003 2.438 ( 1.765 -2.054 -3.058) 4.085 2.515 ( 0.233 -0.021 3.315) 3.323 2.596 ( 3.358 -4.220 -3.024) 6.183 2.651 ( -4.057 -4.002 -0.007) 5.699 2.708 ( -5.128 6.366 0.297) 8.180 2.727 ( -3.263 -3.242 -2.045) 5.033 2.783 ( 1.684 -0.620 1.043) 2.076 2.887 ( 0.031 -6.138 5.395) 8.172 2.986 ( -2.000 0.365 -0.661) 2.138 3.048 ( 2.780 -1.402 5.917) 6.686 3.134 ( 4.137 1.863 3.198) 5.550 3.189 ( -2.432 4.588 1.347) 5.364 3.270 ( -2.586 2.060 7.345) 8.055 3.314 ( -0.263 3.114 -1.482) 3.459 3.401 ( -2.433 5.803 -8.433) 10.522 3.507 ( 1.443 3.001 2.459) 4.140 3.536 ( -0.881 -0.101 -2.116) 2.294 3.614 ( -1.382 2.754 -1.417) 3.391 3.702 ( -0.378 2.315 -2.773) 3.632 3.858 ( -0.647 -0.574 -1.219) 1.495 3.903 ( 0.177 -0.629 1.612) 1.739 3.948 ( -1.196 -1.122 3.230) 3.623 3.987 ( -0.136 1.147 4.177) 4.334 4.042 ( -2.453 -5.113 5.448) 7.864 4.076 ( -0.281 0.719 2.354) 2.477 4.120 ( 2.023 3.605 1.848) 4.528 4.203 ( 2.057 -1.682 2.372) 3.562 4.255 ( -3.265 -1.996 -3.278) 5.039 4.350 ( -5.554 -2.392 3.789) 7.136 4.408 ( -1.586 -1.571 -5.009) 5.484 4.475 ( -1.142 -1.488 -0.380) 1.914 4.572 ( 3.020 0.953 -3.553) 4.759 4.574 ( -6.907 0.529 -0.350) 6.936 4.658 ( -3.406 -2.941 0.073) 4.501 4.742 ( -1.451 -1.738 2.531) 3.396 5.067 ( 1.708 -4.022 -6.227) 7.607 5.223 ( 2.335 0.758 -2.092) 3.226 5.231 ( 2.436 1.724 -0.386) 3.010 5.315 ( 1.657 0.614 -0.752) 1.920 5.362 ( 4.359 1.618 -1.016) 4.759 5.458 ( 0.672 3.737 -0.590) 3.842 5.573 ( 1.491 1.165 -0.813) 2.059 5.821 ( -0.100 -3.189 -1.192) 3.406 5.930 ( -0.717 -1.087 -0.858) 1.559 6.017 ( -0.163 1.193 1.288) 1.763 6.167 ( 8.900 -3.467 -2.450) 9.861 6.369 ( -3.252 3.120 2.007) 4.933 6.547 ( 3.841 -1.961 -2.109) 4.801 6.649 ( 0.836 -2.771 0.724) 2.983 6.758 ( -1.105 1.040 -0.086) 1.520 6.857 ( 0.653 3.685 -7.674) 8.538 7.031 ( 0.017 -0.384 -0.949) 1.023 7.102 ( -0.913 -1.694 -0.046) 1.925 7.192 ( -0.093 -2.914 0.759) 3.013 7.725 ( 1.410 0.682 -0.888) 1.800 7.765 ( 0.403 2.412 -1.595) 2.919 7.834 ( 1.278 -1.110 -0.431) 1.746 7.998 ( -0.261 -1.437 0.727) 1.631 8.015 ( 0.290 0.625 0.548) 0.881 8.089 ( 1.114 0.233 -6.005) 6.112 8.336 ( -1.570 -1.716 5.709) 6.164 8.540 ( 0.794 -4.694 -0.045) 4.761 8.892 ( 0.597 1.463 1.849) 2.432 9.069 ( 0.685 -1.495 -3.979) 4.306 9.113 ( 0.262 -0.897 -0.884) 1.287 9.134 ( -1.154 -0.594 -0.690) 1.470 9.393 ( -0.738 0.594 0.474) 1.059 9.440 ( -0.015 2.394 0.396) 2.426 9.472 ( 0.904 -2.027 0.015) 2.220 9.573 ( -0.550 -1.141 0.373) 1.320 9.705 ( -0.297 3.297 2.026) 3.881 9.813 ( -0.201 -0.747 3.137) 3.231 9.919 ( -0.250 0.645 -1.326) 1.496 9.960 ( -0.952 -0.598 -1.071) 1.553 11.796 ( 0.700 2.137 -1.702) 2.820 11.860 ( -0.440 -0.457 -1.845) 1.951 11.936 ( -1.410 1.295 -0.413) 1.958 11.965 ( 0.628 1.315 0.914) 1.720 12.018 ( -4.886 1.380 5.332) 7.363 12.092 ( -0.316 -0.284 -0.083) 0.432 12.123 ( -1.713 2.519 -1.084) 3.233 12.276 ( -0.485 0.144 -1.605) 1.683 12.836 ( -1.427 0.490 -0.065) 1.510 12.876 ( -0.466 -1.159 1.877) 2.254 12.929 ( 0.761 -1.432 0.693) 1.763 12.986 ( 1.244 -3.238 1.871) 3.941 13.090 ( 1.606 0.705 -0.233) 1.769 13.152 ( 3.995 -3.568 -0.253) 5.362 13.311 ( 0.778 3.544 -0.098) 3.629 13.430 ( 1.869 -0.192 -1.164) 2.210 13.654 ( 1.258 -1.034 -0.540) 1.716 13.672 ( 1.143 -0.851 -1.571) 2.121 13.755 ( -2.974 -0.522 3.228) 4.421 13.782 ( -2.259 0.383 2.277) 3.231 13.862 ( -0.043 2.650 0.949) 2.815 14.011 ( -1.208 -1.989 7.710) 8.054 14.099 ( -2.473 0.932 2.185) 3.429 14.278 ( 4.648 -2.436 -4.077) 6.645 14.649 ( 0.135 1.514 0.026) 1.520 14.808 ( -1.582 7.236 -0.654) 7.436 14.944 ( 8.297 -5.244 0.361) 9.822 15.315 ( 1.324 2.644 -4.676) 5.533 15.372 ( -0.115 0.635 0.967) 1.163 15.434 ( 5.115 0.389 -5.699) 7.668 15.648 ( -3.610 -2.083 2.148) 4.689 15.806 ( -5.061 -2.571 -0.154) 5.679 22.094 ( -0.339 4.015 -1.502) 4.300 22.181 ( -2.548 8.126 -4.810) 9.781 22.425 ( -2.665 -1.568 4.482) 5.445 22.454 ( 0.735 -2.137 0.880) 2.425 22.582 ( -0.313 2.837 -1.879) 3.417 22.602 ( -10.095 5.251 2.484) 11.647 22.731 ( 2.204 -2.765 0.352) 3.553 22.771 ( 0.866 -1.444 1.658) 2.363 22.925 ( 0.003 3.328 4.517) 5.610 23.146 ( -4.049 -2.618 1.059) 4.936 23.295 ( -3.589 2.588 -1.141) 4.569 23.352 ( -1.715 0.282 -0.338) 1.771 23.513 ( 3.265 3.762 0.106) 4.982 23.532 ( 0.366 3.323 2.464) 4.153 23.647 ( -1.761 -1.195 -4.511) 4.988 23.900 ( -1.893 -2.439 -0.529) 3.133 23.978 ( -0.415 -0.297 1.348) 1.441 24.016 ( 3.603 -0.254 -1.878) 4.071 24.054 ( 3.450 0.610 0.446) 3.532 24.100 ( -0.141 -2.298 -0.258) 2.317 24.171 ( 0.824 0.816 0.524) 1.272 24.224 ( 1.680 -0.336 -1.812) 2.494 24.256 ( -0.724 1.452 0.305) 1.651 24.288 ( 1.303 1.406 -0.057) 1.918 24.431 ( -3.614 -3.588 -1.818) 5.408 24.462 ( 2.219 -4.988 0.030) 5.459 24.900 ( -4.217 -0.602 3.860) 5.749 24.973 ( -7.962 -1.040 4.366) 9.140 25.235 ( -0.081 0.438 0.099) 0.456 25.308 ( 3.604 -1.693 -1.419) 4.227 25.398 ( 4.434 3.210 -1.968) 5.817 25.645 ( 10.151 -5.794 -5.824) 13.059 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 12.330 8.936 6.105) 16.406 1.046 ( 12.894 11.272 5.533) 17.998 1.367 ( -8.093 5.926 9.529) 13.835 1.446 ( 1.390 1.149 -1.125) 2.126 1.525 ( 6.903 3.244 -5.740) 9.546 1.643 ( 2.247 -4.255 -4.877) 6.851 1.644 ( -2.608 2.439 -0.349) 3.587 1.752 ( -1.094 -4.339 -3.276) 5.546 1.821 ( 4.012 -4.816 2.206) 6.645 1.835 ( -6.364 2.539 1.166) 6.950 1.949 ( 3.697 0.354 0.767) 3.792 1.983 ( 4.122 0.472 0.048) 4.149 1.995 ( 3.129 1.199 -2.095) 3.952 2.037 ( 3.008 -1.684 3.598) 4.983 2.112 ( 4.232 -0.585 0.006) 4.272 2.144 ( -9.775 1.603 7.203) 12.247 2.287 ( -3.069 4.376 -2.088) 5.739 2.340 ( -2.154 7.163 -2.164) 7.787 2.446 ( 0.484 0.347 -5.528) 5.560 2.530 ( -1.017 -1.014 -4.014) 4.263 2.564 ( 0.666 -0.863 -4.167) 4.307 2.609 ( -0.958 -2.936 -1.678) 3.515 2.641 ( -2.137 -4.930 2.337) 5.859 2.758 ( 1.557 -0.601 4.356) 4.665 2.809 ( 4.154 -0.592 -0.754) 4.263 2.908 ( 2.420 -5.559 2.503) 6.559 2.957 ( -0.983 -0.248 2.895) 3.068 3.052 ( -4.061 7.373 -0.810) 8.457 3.135 ( -5.924 -0.132 4.245) 7.289 3.181 ( -3.782 2.442 -0.593) 4.541 3.230 ( -0.229 2.167 7.120) 7.446 3.293 ( 3.969 -0.032 5.655) 6.909 3.394 ( 0.437 3.903 -3.625) 5.344 3.451 ( -4.327 1.950 0.689) 4.796 3.553 ( -1.102 2.790 -7.870) 8.423 3.623 ( 1.934 -1.110 4.254) 4.803 3.713 ( 0.414 0.101 0.370) 0.564 3.787 ( -2.868 2.792 2.383) 4.658 3.898 ( -3.173 -4.704 4.572) 7.287 3.926 ( -1.093 -2.079 -0.289) 2.367 3.995 ( 1.120 0.521 2.096) 2.433 4.004 ( -0.590 -4.615 5.875) 7.494 4.079 ( -0.203 2.591 2.038) 3.303 4.144 ( -4.478 -0.225 1.854) 4.852 4.179 ( 3.467 4.861 -0.256) 5.976 4.231 ( 1.119 -2.903 0.118) 3.114 4.265 ( -2.897 -1.016 -0.407) 3.097 4.426 ( 1.463 -2.716 -2.477) 3.957 4.458 ( -2.622 -5.095 0.812) 5.787 4.510 ( 1.393 -1.547 -1.443) 2.533 4.567 ( -2.330 -0.642 0.380) 2.446 4.654 ( 2.319 3.331 -1.463) 4.314 4.711 ( -1.920 -3.578 1.340) 4.276 5.069 ( -0.901 -3.051 -5.765) 6.585 5.242 ( 2.560 -2.057 -2.959) 4.421 5.307 ( 2.027 3.561 1.322) 4.306 5.333 ( 0.464 0.210 -1.670) 1.746 5.454 ( 4.279 3.064 -3.086) 6.101 5.479 ( 2.882 5.177 -2.334) 6.368 5.582 ( -1.746 0.518 0.251) 1.838 5.865 ( 4.504 -2.361 -1.614) 5.336 5.924 ( -0.178 -0.225 2.149) 2.168 5.992 ( -2.601 1.910 1.598) 3.601 6.285 ( -0.893 0.191 -0.010) 0.914 6.303 ( 1.167 -1.598 -1.732) 2.629 6.532 ( -2.508 -3.432 -2.717) 5.045 6.686 ( 1.195 0.073 0.686) 1.380 6.745 ( 0.061 0.524 1.179) 1.292 6.824 ( -3.284 0.436 -3.429) 4.768 7.048 ( 1.407 -1.270 -1.534) 2.438 7.093 ( 0.112 -0.559 -1.398) 1.509 7.198 ( 0.466 -2.292 -1.207) 2.632 7.744 ( 0.831 1.824 -1.258) 2.366 7.771 ( -0.104 2.004 -0.836) 2.174 7.871 ( 2.044 -1.270 -1.583) 2.880 7.991 ( -0.501 -1.222 0.868) 1.580 8.035 ( 1.479 0.694 0.334) 1.667 8.095 ( -0.206 1.044 -5.273) 5.379 8.325 ( 0.224 -2.018 5.725) 6.074 8.550 ( 0.143 -4.895 -0.340) 4.909 8.898 ( -0.077 1.044 2.524) 2.733 9.080 ( 0.447 -2.823 -1.431) 3.197 9.117 ( -0.104 -0.060 -1.494) 1.499 9.126 ( 0.825 -0.326 -1.677) 1.897 9.383 ( -0.339 0.621 -0.101) 0.715 9.441 ( 0.250 2.009 -0.515) 2.089 9.488 ( 0.675 -2.321 -0.027) 2.417 9.555 ( -1.312 -0.912 0.258) 1.618 9.692 ( -1.073 2.546 3.621) 4.555 9.801 ( -1.276 -0.954 3.499) 3.845 9.920 ( 0.109 0.349 -2.321) 2.350 9.952 ( 0.427 -0.490 -1.051) 1.235 11.806 ( 0.218 2.792 -1.616) 3.233 11.852 ( -0.270 0.241 -1.134) 1.191 11.914 ( -0.522 0.225 0.946) 1.104 11.944 ( -2.084 0.288 2.861) 3.551 11.980 ( -0.280 0.727 1.551) 1.736 12.084 ( -0.925 3.790 -0.955) 4.016 12.103 ( 0.284 -1.098 0.923) 1.462 12.268 ( -0.284 -0.275 -1.111) 1.179 12.818 ( -0.481 -0.217 0.322) 0.618 12.869 ( -0.463 -2.398 0.581) 2.510 12.953 ( 1.413 -2.003 0.289) 2.468 13.013 ( 1.246 -3.597 0.809) 3.891 13.120 ( 0.953 1.676 1.073) 2.206 13.180 ( -0.257 -1.426 1.953) 2.432 13.323 ( 0.585 4.620 -0.712) 4.711 13.470 ( 1.726 -0.063 -2.622) 3.139 13.677 ( 1.408 -1.453 -0.271) 2.042 13.694 ( -0.155 -0.443 1.772) 1.833 13.706 ( -0.633 -1.361 0.718) 1.664 13.741 ( -2.319 0.026 1.447) 2.734 13.875 ( 0.893 3.145 -0.031) 3.269 13.988 ( -0.780 1.468 2.241) 2.790 14.071 ( -1.029 3.003 3.984) 5.095 14.379 ( 5.311 -2.966 -4.643) 7.653 14.653 ( -0.479 2.060 0.763) 2.248 14.776 ( -0.543 5.286 -4.427) 6.917 15.070 ( 5.270 -2.391 2.986) 6.512 15.303 ( -2.294 0.609 1.199) 2.660 15.398 ( 2.253 -0.751 -0.790) 2.503 15.509 ( 0.718 -4.993 -1.527) 5.271 15.587 ( -0.323 -0.070 -1.587) 1.621 15.696 ( -6.238 -1.204 -0.873) 6.413 22.088 ( -0.114 3.714 -1.645) 4.063 22.124 ( -2.408 6.580 -1.703) 7.211 22.375 ( -2.171 -1.104 4.432) 5.057 22.473 ( -1.046 -1.548 -0.331) 1.898 22.492 ( 0.058 1.550 1.896) 2.450 22.591 ( 0.675 3.107 -1.889) 3.698 22.731 ( -2.655 -3.208 3.814) 5.647 22.821 ( 3.336 -1.534 -1.849) 4.111 22.939 ( 1.214 2.782 5.004) 5.852 23.094 ( -1.237 -1.571 1.015) 2.242 23.226 ( -2.889 4.041 -0.476) 4.990 23.315 ( -2.070 -0.281 -0.771) 2.227 23.509 ( -0.485 3.312 1.326) 3.600 23.598 ( 2.645 0.255 -0.987) 2.835 23.634 ( 0.550 0.779 -3.641) 3.763 23.851 ( -2.505 -2.933 -1.839) 4.273 23.976 ( -0.192 0.307 1.819) 1.854 24.065 ( 2.085 0.303 -1.474) 2.571 24.095 ( -0.269 -2.587 -0.194) 2.608 24.101 ( 1.381 0.528 0.263) 1.501 24.188 ( 0.869 0.396 -0.373) 1.025 24.242 ( 0.064 0.589 -0.376) 0.702 24.279 ( 3.205 1.842 -0.127) 3.698 24.310 ( 0.593 1.189 1.058) 1.698 24.352 ( -3.350 -0.709 -2.217) 4.079 24.536 ( 4.683 -4.398 -1.942) 6.711 24.773 ( -7.683 -1.811 5.316) 9.517 24.856 ( -5.329 -2.310 1.279) 5.947 25.249 ( 0.973 1.047 1.535) 2.097 25.381 ( 3.607 -2.221 0.796) 4.310 25.500 ( 5.668 2.619 -4.496) 7.695 25.733 ( 0.472 -4.201 -3.971) 5.800 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -9.250 6.158 6.726) 12.989 1.215 ( 5.448 3.112 8.378) 10.466 1.283 ( 0.333 5.235 -2.719) 5.908 1.421 ( -4.622 2.539 -1.926) 5.614 1.547 ( -5.023 1.219 -3.689) 6.350 1.594 ( 4.351 1.931 -2.315) 5.294 1.662 ( 1.029 -2.579 -7.748) 8.231 1.751 ( -3.920 -0.882 0.607) 4.064 1.807 ( 7.321 0.744 -2.338) 7.721 1.838 ( -0.397 1.171 0.681) 1.411 1.937 ( -5.503 -1.368 3.638) 6.737 1.968 ( -0.448 -3.506 0.866) 3.639 2.003 ( -2.352 2.268 0.344) 3.286 2.049 ( 1.076 -3.710 -0.480) 3.892 2.096 ( 4.020 -5.315 -0.497) 6.682 2.152 ( -4.997 6.723 -2.226) 8.667 2.302 ( 0.953 3.777 -1.440) 4.153 2.429 ( 4.080 4.196 -1.845) 6.136 2.464 ( 2.025 -2.804 -0.164) 3.463 2.505 ( -1.623 2.051 -1.977) 3.279 2.554 ( -5.085 -2.341 1.012) 5.689 2.587 ( 1.451 -0.938 -3.305) 3.730 2.696 ( 8.394 2.636 -3.268) 9.385 2.777 ( -3.500 -0.000 5.303) 6.354 2.805 ( -3.571 3.651 3.278) 6.069 2.928 ( -1.994 2.072 0.602) 2.937 2.971 ( 6.561 -0.420 1.206) 6.684 3.032 ( 3.533 -2.540 4.128) 5.998 3.068 ( 0.461 1.356 0.736) 1.610 3.099 ( -0.831 0.344 -2.499) 2.656 3.217 ( 0.581 4.883 6.692) 8.304 3.262 ( -9.313 2.622 6.386) 11.592 3.418 ( 0.125 2.231 3.907) 4.501 3.447 ( 5.096 0.977 0.930) 5.271 3.543 ( 1.158 1.028 -4.127) 4.408 3.626 ( -0.331 -0.425 -0.773) 0.942 3.745 ( -2.381 1.081 4.611) 5.301 3.771 ( 2.229 1.190 0.688) 2.619 3.825 ( -3.525 -4.489 2.717) 6.321 3.876 ( -2.485 -3.006 1.582) 4.209 4.004 ( 0.349 -0.840 2.578) 2.734 4.041 ( 1.407 -1.020 3.621) 4.016 4.080 ( 1.595 -0.036 2.095) 2.633 4.128 ( 0.959 1.703 0.777) 2.103 4.196 ( -2.462 0.344 0.766) 2.602 4.245 ( 2.145 1.699 -0.966) 2.902 4.285 ( 4.618 -4.634 -2.513) 7.008 4.411 ( -1.835 -3.806 3.811) 5.690 4.462 ( 1.986 0.311 -0.211) 2.021 4.517 ( -0.009 -5.192 0.025) 5.192 4.558 ( 0.556 -3.392 0.824) 3.534 4.671 ( -2.216 -3.507 -1.575) 4.437 4.698 ( 1.506 5.485 -2.342) 6.151 5.051 ( -0.250 -1.933 -6.424) 6.713 5.283 ( 0.746 -1.757 -1.368) 2.348 5.292 ( -2.449 3.842 2.148) 5.037 5.346 ( 1.167 -1.477 -4.949) 5.295 5.501 ( -3.672 -0.594 -1.454) 3.994 5.530 ( 0.769 3.630 -1.231) 3.910 5.557 ( 4.447 2.437 -4.148) 6.551 5.872 ( -5.595 4.202 2.096) 7.305 5.941 ( 1.999 0.023 0.207) 2.010 5.966 ( 0.610 -0.591 4.779) 4.854 6.243 ( -0.280 2.686 0.732) 2.798 6.321 ( -0.849 -4.485 -6.048) 7.577 6.516 ( 0.698 -4.989 -1.254) 5.191 6.681 ( -1.159 1.493 -1.034) 2.154 6.746 ( -4.290 0.618 -0.539) 4.368 6.768 ( 2.009 1.844 0.769) 2.833 7.075 ( 1.424 -2.279 -1.087) 2.899 7.101 ( 0.703 -0.379 -2.151) 2.294 7.205 ( 0.428 -2.184 -1.741) 2.826 7.750 ( -0.969 1.565 -1.010) 2.100 7.760 ( -0.118 2.008 -0.971) 2.234 7.895 ( 0.521 -1.125 -1.306) 1.801 7.982 ( -0.482 -0.309 -0.137) 0.588 8.064 ( 1.504 0.225 0.838) 1.736 8.080 ( -0.879 1.662 -4.093) 4.504 8.346 ( 1.407 -2.765 5.692) 6.482 8.545 ( -0.622 -4.811 -0.943) 4.942 8.892 ( -0.656 0.726 2.214) 2.420 9.083 ( -0.106 -3.230 -0.584) 3.284 9.110 ( -0.357 0.101 -0.911) 0.984 9.155 ( 1.868 -0.672 -1.942) 2.777 9.380 ( 0.102 1.371 -0.249) 1.397 9.450 ( 0.659 1.476 -1.416) 2.149 9.497 ( 0.217 -2.077 0.379) 2.123 9.529 ( -1.262 -0.715 -0.264) 1.474 9.673 ( -1.079 1.920 4.070) 4.628 9.776 ( -1.221 -0.994 3.177) 3.546 9.922 ( 0.418 0.391 -1.635) 1.733 9.968 ( 0.956 -0.840 -1.297) 1.817 11.799 ( -0.717 2.102 -0.760) 2.347 11.851 ( 0.236 1.574 -1.054) 1.909 11.919 ( 0.710 -0.569 0.628) 1.106 11.925 ( -0.134 0.379 1.411) 1.467 11.969 ( -0.769 -0.020 1.421) 1.616 12.073 ( 0.085 3.676 -0.972) 3.803 12.131 ( 2.344 -1.458 2.728) 3.881 12.263 ( -0.107 -0.444 -1.277) 1.357 12.817 ( 0.368 -0.707 0.760) 1.102 12.857 ( -0.705 -2.789 -0.294) 2.892 12.974 ( 0.761 -2.107 -0.037) 2.240 13.024 ( -0.395 -3.290 0.418) 3.340 13.117 ( -1.131 1.696 2.618) 3.318 13.169 ( -0.883 -0.139 1.202) 1.498 13.333 ( 0.406 4.954 -0.652) 5.013 13.477 ( -0.737 0.446 -3.060) 3.179 13.669 ( -1.301 -0.948 1.307) 2.073 13.690 ( -1.852 -0.789 1.139) 2.313 13.714 ( 1.885 -1.332 0.178) 2.315 13.734 ( 1.411 -1.362 0.711) 2.087 13.883 ( -0.107 2.655 0.476) 2.700 13.988 ( 0.411 3.286 0.805) 3.408 14.052 ( -1.136 3.848 2.721) 4.848 14.459 ( 3.258 -2.694 -2.503) 4.913 14.617 ( -2.733 2.279 -0.736) 3.634 14.805 ( 3.050 2.779 -6.163) 7.416 15.132 ( -0.061 -0.849 7.272) 7.321 15.261 ( -1.534 0.778 1.991) 2.631 15.417 ( -0.676 -2.602 -1.458) 3.058 15.493 ( 1.129 -2.838 -0.885) 3.180 15.568 ( -6.076 -0.070 -3.058) 6.803 15.652 ( 4.206 -2.033 -1.072) 4.793 22.089 ( 0.241 3.758 -1.338) 3.996 22.098 ( -0.304 4.905 -1.336) 5.093 22.354 ( -0.240 -1.321 3.227) 3.495 22.453 ( 0.059 1.058 0.187) 1.076 22.524 ( 1.231 -3.097 0.683) 3.402 22.607 ( 1.256 2.141 -1.451) 2.875 22.666 ( -3.499 -0.359 2.544) 4.341 22.872 ( 1.991 -0.863 0.318) 2.194 22.982 ( 3.065 2.070 6.031) 7.075 23.097 ( 1.229 -1.171 1.912) 2.557 23.197 ( -0.039 3.034 -0.312) 3.050 23.284 ( -0.959 -0.134 -1.804) 2.047 23.501 ( -0.551 2.500 1.059) 2.770 23.624 ( 0.304 0.493 -1.511) 1.618 23.657 ( 2.093 0.399 -2.557) 3.328 23.822 ( -0.320 -2.950 -2.520) 3.892 23.967 ( -0.868 0.680 1.687) 2.015 24.083 ( -0.731 -1.765 -0.579) 1.996 24.097 ( 0.519 -1.138 -0.872) 1.525 24.115 ( 0.515 0.598 -0.538) 0.955 24.201 ( 0.588 0.013 -0.765) 0.965 24.247 ( 0.304 0.399 -0.154) 0.525 24.304 ( -0.950 0.333 -1.013) 1.428 24.312 ( -0.320 1.120 0.475) 1.258 24.357 ( 3.814 3.989 0.123) 5.520 24.605 ( 1.556 -2.809 -4.231) 5.312 24.653 ( -4.503 -2.464 5.603) 7.599 24.768 ( -3.248 -4.606 1.491) 5.830 25.262 ( 0.191 1.656 1.743) 2.412 25.431 ( 1.403 -2.428 2.503) 3.758 25.586 ( 3.257 0.818 -6.657) 7.455 25.690 ( -4.316 -1.884 -2.413) 5.291 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -12.338 9.497 8.067) 17.536 1.106 ( -13.673 6.141 8.688) 17.325 1.277 ( -2.374 4.894 -9.182) 10.673 1.396 ( 3.061 0.037 3.030) 4.307 1.499 ( -1.816 2.158 -2.224) 3.592 1.591 ( -5.132 -1.672 1.066) 5.502 1.658 ( -1.917 -2.066 1.484) 3.185 1.772 ( 3.325 -3.864 -10.441) 11.619 1.842 ( -2.695 -2.686 -0.248) 3.813 1.885 ( -1.491 2.202 0.799) 2.777 1.900 ( 2.273 3.372 1.848) 4.467 1.918 ( -0.783 1.083 -0.454) 1.411 1.997 ( -5.174 -0.458 1.943) 5.545 2.070 ( 1.020 0.045 3.996) 4.124 2.092 ( -1.246 5.695 0.420) 5.845 2.148 ( 1.474 1.401 -2.292) 3.064 2.189 ( -6.389 1.430 -0.488) 6.565 2.352 ( 4.560 -0.558 -4.779) 6.629 2.435 ( -5.221 -5.111 1.907) 7.551 2.497 ( 3.255 2.183 1.297) 4.129 2.601 ( 1.688 0.717 0.688) 1.959 2.636 ( 5.502 0.011 -2.789) 6.169 2.716 ( 0.355 -0.421 -0.944) 1.093 2.810 ( 0.052 2.253 4.045) 4.631 2.865 ( 3.655 1.118 0.564) 3.864 2.945 ( 1.568 -3.803 -0.174) 4.117 2.990 ( -3.403 -1.408 1.082) 3.839 2.999 ( -1.666 -1.041 2.461) 3.149 3.096 ( -1.735 -0.258 -0.042) 1.755 3.181 ( 4.047 5.422 1.252) 6.881 3.217 ( 6.147 1.556 2.217) 6.718 3.283 ( 3.592 1.773 5.084) 6.472 3.440 ( 3.819 2.981 0.945) 4.936 3.490 ( 0.617 1.560 2.303) 2.849 3.569 ( -0.355 2.497 -3.562) 4.365 3.606 ( -1.906 0.886 1.552) 2.613 3.699 ( -1.206 0.942 1.099) 1.884 3.767 ( -1.823 0.992 -2.493) 3.244 3.801 ( 2.712 -3.423 4.482) 6.258 3.899 ( 3.186 -3.474 1.253) 4.877 3.996 ( -1.373 2.663 2.644) 3.996 4.054 ( -0.537 -5.173 4.717) 7.022 4.117 ( -0.314 3.131 1.889) 3.670 4.129 ( 1.444 2.341 1.063) 2.949 4.182 ( 1.206 -0.034 0.684) 1.387 4.290 ( 2.148 1.904 -0.545) 2.922 4.371 ( 2.445 -2.090 0.067) 3.217 4.388 ( -0.422 -1.759 0.673) 1.930 4.476 ( 0.226 -1.978 -1.077) 2.264 4.552 ( -0.681 -3.461 2.302) 4.213 4.589 ( 6.185 -6.705 1.757) 9.290 4.631 ( -1.092 -2.958 -2.158) 3.821 4.691 ( -1.114 4.783 -0.864) 4.987 5.055 ( 0.684 -1.543 -6.392) 6.611 5.224 ( -3.605 3.876 2.884) 6.028 5.292 ( -0.374 1.885 -2.627) 3.254 5.330 ( -4.431 -5.511 -3.436) 7.862 5.427 ( -0.700 -0.583 -5.418) 5.494 5.535 ( -1.283 1.812 -0.746) 2.342 5.565 ( -4.513 0.934 0.026) 4.608 5.816 ( 1.366 3.593 -1.421) 4.098 5.930 ( -2.025 -0.133 1.381) 2.455 5.990 ( 1.086 0.426 4.037) 4.202 6.266 ( -1.445 -3.358 -4.949) 6.153 6.294 ( 1.279 1.571 -0.652) 2.128 6.532 ( 0.583 -2.379 -2.430) 3.450 6.644 ( -2.477 0.824 0.338) 2.632 6.689 ( -1.113 1.346 -0.432) 1.799 6.805 ( 1.461 3.391 -0.701) 3.759 7.090 ( -0.043 -1.621 -2.455) 2.942 7.116 ( 0.866 -2.000 -0.477) 2.231 7.215 ( 0.726 -3.041 -0.779) 3.222 7.718 ( -1.766 1.710 -1.819) 3.058 7.759 ( -0.249 1.080 -0.610) 1.265 7.893 ( -0.646 -0.482 -0.700) 1.068 7.975 ( -0.049 -0.060 -1.178) 1.181 8.061 ( -0.691 1.714 -3.910) 4.324 8.090 ( 0.999 -0.836 1.418) 1.925 8.374 ( 0.934 -3.310 5.741) 6.692 8.530 ( -0.736 -4.671 -1.200) 4.879 8.879 ( -0.723 0.994 1.230) 1.739 9.075 ( -0.537 -1.631 -1.926) 2.580 9.107 ( 0.044 -1.313 0.014) 1.314 9.181 ( 0.792 -0.902 -1.227) 1.717 9.386 ( 0.533 2.166 0.078) 2.232 9.458 ( -0.016 0.692 -1.020) 1.232 9.498 ( -0.213 -1.616 0.951) 1.887 9.516 ( 0.366 -0.540 -1.196) 1.363 9.661 ( -0.316 1.884 3.691) 4.156 9.766 ( 0.099 -0.783 2.557) 2.676 9.935 ( 0.952 0.077 -0.822) 1.260 9.981 ( 0.480 -1.089 -1.197) 1.688 11.785 ( -0.575 1.620 -0.566) 1.810 11.857 ( 0.453 1.407 -1.565) 2.152 11.924 ( -0.154 0.245 0.803) 0.854 11.942 ( 1.434 1.045 1.507) 2.328 11.963 ( 0.227 0.450 1.064) 1.177 12.089 ( 1.541 1.934 -0.127) 2.476 12.190 ( 3.426 -1.639 2.726) 4.675 12.264 ( 0.340 -0.467 -1.696) 1.792 12.831 ( 0.837 -1.163 1.078) 1.793 12.848 ( 0.053 -1.734 -0.011) 1.735 12.981 ( -0.131 -1.955 0.261) 1.977 12.993 ( -2.818 -2.767 0.614) 3.997 13.095 ( -1.121 2.056 1.516) 2.790 13.140 ( -2.297 0.056 0.339) 2.322 13.332 ( -0.597 4.258 0.229) 4.306 13.450 ( -1.755 0.112 -2.984) 3.464 13.640 ( -1.911 -0.854 0.228) 2.106 13.661 ( -0.729 -1.153 -0.059) 1.365 13.750 ( 1.242 -0.414 0.303) 1.344 13.773 ( 3.195 -1.683 3.873) 5.295 13.877 ( -0.518 1.683 0.647) 1.876 13.985 ( -1.176 0.495 2.671) 2.960 14.043 ( 0.484 5.682 -0.359) 5.714 14.491 ( -0.945 -5.051 -0.458) 5.159 14.575 ( -0.355 3.708 -1.448) 3.997 14.851 ( 1.638 1.783 -4.307) 4.941 15.057 ( -7.505 -1.262 5.328) 9.290 15.262 ( 1.336 1.727 -0.427) 2.225 15.395 ( -1.698 -1.465 -1.125) 2.509 15.452 ( -4.655 -0.312 -3.687) 5.946 15.559 ( 4.532 0.120 -1.907) 4.919 15.739 ( 4.779 -3.082 1.503) 5.881 22.098 ( 0.495 3.703 -1.503) 4.027 22.105 ( 1.321 5.513 -1.430) 5.847 22.369 ( 1.671 -1.527 2.326) 3.245 22.476 ( 2.198 1.519 0.361) 2.696 22.513 ( -2.131 -3.690 1.890) 4.662 22.623 ( -1.026 2.075 0.450) 2.358 22.644 ( 2.307 0.530 -1.282) 2.692 22.900 ( 0.894 0.238 2.590) 2.750 23.051 ( 3.348 2.141 6.549) 7.660 23.143 ( 3.699 -1.637 2.938) 4.999 23.228 ( 3.526 1.007 -0.210) 3.673 23.281 ( 0.760 0.199 -2.752) 2.862 23.484 ( -1.510 2.452 -0.852) 3.003 23.628 ( 0.682 0.757 0.020) 1.020 23.705 ( 2.861 -1.537 -1.037) 3.410 23.830 ( 1.045 -2.616 -2.889) 4.035 23.947 ( -1.282 0.822 1.034) 1.841 24.053 ( -2.262 -1.862 -1.377) 3.238 24.090 ( -0.858 -1.011 -0.643) 1.474 24.127 ( 0.446 -0.603 -0.487) 0.894 24.203 ( -0.674 -0.447 -1.289) 1.522 24.246 ( -0.395 0.277 -1.028) 1.136 24.293 ( -0.721 0.999 -1.821) 2.198 24.300 ( -0.583 0.382 3.025) 3.104 24.417 ( 1.830 3.846 0.222) 4.265 24.583 ( -3.920 -2.584 -3.102) 5.628 24.616 ( 2.664 -1.639 4.429) 5.422 24.771 ( 2.926 -2.952 1.986) 4.606 25.260 ( -0.394 1.895 1.317) 2.341 25.431 ( -1.666 -2.457 2.878) 4.135 25.557 ( -6.900 0.075 -3.204) 7.608 25.627 ( -1.255 -1.656 -7.075) 7.374 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -6.247 13.248 13.030) 19.604 0.829 ( -14.517 12.357 10.420) 21.726 1.226 ( -3.249 4.312 -4.221) 6.853 1.341 ( -10.985 7.231 2.989) 13.486 1.481 ( 3.454 -6.571 1.741) 7.625 1.508 ( -7.552 10.186 9.536) 15.866 1.615 ( -3.561 3.763 4.739) 7.021 1.689 ( 1.191 3.515 -0.921) 3.824 1.749 ( -5.636 0.988 8.526) 10.268 1.820 ( 1.178 -2.317 -5.568) 6.145 1.869 ( -2.322 2.074 -4.606) 5.560 1.909 ( -1.858 0.775 -0.259) 2.030 2.027 ( 1.438 -2.437 -3.111) 4.206 2.093 ( 1.885 -2.778 0.062) 3.358 2.142 ( 8.066 -4.902 0.425) 9.448 2.217 ( 2.701 0.671 -5.745) 6.383 2.302 ( 11.078 0.669 -2.089) 11.293 2.353 ( -2.928 -8.328 -0.509) 8.842 2.448 ( 3.148 -1.421 -2.099) 4.042 2.542 ( 1.322 1.259 2.320) 2.952 2.636 ( 0.607 -1.215 2.575) 2.912 2.699 ( -0.672 0.312 1.850) 1.993 2.720 ( 0.904 0.021 -3.781) 3.888 2.801 ( -0.461 -0.318 -1.920) 2.000 2.881 ( -0.836 0.711 2.510) 2.740 2.910 ( -2.352 0.271 2.366) 3.347 2.958 ( 0.745 -1.081 1.246) 1.810 2.996 ( -1.012 -1.980 1.919) 2.937 3.050 ( -0.834 -2.225 2.749) 3.634 3.219 ( -0.561 3.160 1.626) 3.598 3.334 ( 3.267 1.304 8.010) 8.748 3.390 ( 5.573 0.198 -3.335) 6.498 3.446 ( -4.132 3.779 3.973) 6.865 3.473 ( 0.199 0.143 -2.979) 2.989 3.549 ( 0.095 2.271 0.230) 2.285 3.629 ( 1.189 2.299 -0.725) 2.688 3.697 ( 1.858 2.219 -1.886) 3.454 3.741 ( 1.688 6.887 -6.326) 9.502 3.894 ( 1.080 0.536 4.760) 4.911 3.949 ( 2.231 -6.425 3.523) 7.659 3.962 ( -0.317 2.314 0.223) 2.346 4.041 ( 0.442 -0.922 5.354) 5.451 4.104 ( -1.197 1.552 4.886) 5.264 4.149 ( 0.029 0.303 0.959) 1.006 4.228 ( 0.986 -1.625 -2.275) 2.964 4.303 ( -1.445 4.362 -2.648) 5.303 4.357 ( -0.122 -0.550 4.292) 4.329 4.386 ( 0.787 0.117 -2.028) 2.179 4.489 ( 0.746 -4.484 -3.675) 5.845 4.534 ( -0.879 -2.679 -2.237) 3.599 4.636 ( 2.605 -1.590 -0.855) 3.169 4.701 ( 2.202 3.208 0.027) 3.892 4.749 ( 8.077 -7.216 4.709) 11.810 5.065 ( 1.167 -2.072 -3.673) 4.376 5.165 ( -3.311 2.249 -0.293) 4.014 5.188 ( -7.065 -1.240 -3.800) 8.118 5.295 ( -0.358 1.421 -2.048) 2.518 5.408 ( -3.468 -0.567 -1.250) 3.729 5.479 ( -3.457 -0.469 0.512) 3.526 5.501 ( 0.448 0.945 -1.848) 2.123 5.865 ( 2.209 0.225 -2.155) 3.094 5.912 ( 0.848 0.502 0.775) 1.254 6.003 ( 0.118 0.257 2.292) 2.309 6.145 ( -9.176 -4.047 -4.272) 10.900 6.361 ( 3.292 3.431 1.325) 4.936 6.492 ( -4.155 2.899 -2.451) 5.628 6.632 ( 0.673 -2.309 1.846) 3.032 6.706 ( 3.014 2.585 -3.040) 5.000 6.816 ( -0.099 5.684 -1.870) 5.984 7.074 ( -1.198 -1.032 -3.858) 4.169 7.127 ( 0.108 -2.904 0.960) 3.060 7.226 ( 0.049 -4.547 0.713) 4.603 7.693 ( -0.587 1.391 -1.571) 2.178 7.755 ( 0.030 0.414 -1.275) 1.340 7.871 ( -1.591 -0.051 -0.020) 1.592 7.982 ( 0.721 -0.617 -1.328) 1.632 8.053 ( 0.107 1.147 -4.479) 4.625 8.094 ( -1.076 -2.553 1.060) 2.967 8.383 ( -0.382 -3.262 5.725) 6.600 8.520 ( -0.132 -4.560 -0.817) 4.635 8.870 ( -0.177 1.670 0.654) 1.802 9.067 ( -0.137 -0.214 -3.609) 3.618 9.109 ( 0.093 -2.380 0.186) 2.389 9.179 ( -0.817 -1.077 -1.100) 1.743 9.400 ( 0.807 2.113 0.516) 2.320 9.448 ( -0.779 0.768 0.120) 1.100 9.485 ( -1.093 -1.243 1.573) 2.284 9.542 ( 1.924 -0.731 -1.371) 2.473 9.669 ( 1.000 2.596 2.508) 3.745 9.782 ( 1.233 -0.420 2.275) 2.621 9.951 ( 0.387 -0.810 -0.807) 1.207 9.984 ( -0.032 -0.937 -0.856) 1.269 11.780 ( 0.048 1.685 -0.848) 1.887 11.866 ( 0.481 0.232 -2.187) 2.252 11.924 ( 0.409 0.868 0.496) 1.080 11.965 ( 0.589 0.814 0.695) 1.221 11.984 ( 2.206 2.455 1.932) 3.825 12.121 ( 1.473 0.677 0.200) 1.634 12.232 ( 0.053 -1.669 1.002) 1.948 12.286 ( 1.935 -0.966 -2.330) 3.179 12.849 ( 1.371 -1.729 2.272) 3.168 12.877 ( 3.177 -0.268 0.833) 3.295 12.927 ( -3.526 -0.756 0.708) 3.675 12.974 ( -0.517 -2.056 0.958) 2.326 13.057 ( -3.691 1.057 -0.793) 3.920 13.100 ( -1.387 -0.353 0.116) 1.436 13.313 ( -1.171 3.169 1.302) 3.621 13.416 ( -1.330 -0.122 -1.698) 2.160 13.616 ( -0.275 -0.782 -0.491) 0.963 13.657 ( 0.127 -0.991 -1.372) 1.698 13.766 ( 0.603 0.820 1.204) 1.577 13.863 ( -0.920 0.383 0.606) 1.166 13.866 ( 6.154 -2.938 8.040) 10.543 13.952 ( -2.239 -1.942 2.784) 4.066 14.064 ( 1.573 3.265 -0.883) 3.730 14.410 ( -6.280 -5.436 0.658) 8.332 14.620 ( 4.037 3.928 -0.193) 5.636 14.849 ( -3.367 -3.429 -1.347) 4.991 14.887 ( -8.274 5.827 1.048) 10.174 15.281 ( 0.443 3.933 -8.028) 8.951 15.364 ( -0.118 1.217 -1.938) 2.292 15.391 ( -2.275 0.994 0.261) 2.497 15.643 ( 3.719 -0.201 0.032) 3.725 15.827 ( 4.002 -4.063 1.878) 6.004 22.103 ( 0.102 4.089 -1.389) 4.319 22.146 ( 2.871 6.864 -3.050) 8.042 22.413 ( 2.496 -1.896 1.290) 3.389 22.473 ( -1.678 -2.200 2.105) 3.477 22.530 ( 3.316 2.495 0.036) 4.150 22.610 ( -0.395 2.443 -0.557) 2.536 22.686 ( 2.047 -1.237 0.252) 2.405 22.911 ( 0.118 0.594 4.037) 4.082 23.097 ( 0.673 2.064 2.668) 3.440 23.225 ( 3.468 -2.580 3.129) 5.336 23.302 ( 1.996 0.464 -2.714) 3.401 23.330 ( 5.628 -0.917 0.069) 5.702 23.441 ( -2.387 2.000 -2.230) 3.830 23.658 ( 2.236 -2.106 2.225) 3.793 23.745 ( -0.335 -4.732 0.978) 4.843 23.844 ( 0.993 -0.801 -2.580) 2.878 23.930 ( -0.382 0.120 -0.728) 0.830 23.999 ( -3.310 -1.262 -1.971) 4.054 24.058 ( -2.963 -0.569 -1.375) 3.316 24.120 ( -1.219 -1.933 -0.714) 2.394 24.173 ( -1.618 0.786 -1.200) 2.163 24.237 ( -0.176 0.205 -0.564) 0.626 24.257 ( -2.530 1.462 -1.739) 3.400 24.306 ( 0.592 -0.113 2.868) 2.930 24.421 ( -1.166 -0.372 0.584) 1.357 24.523 ( -1.447 -3.233 -0.801) 3.632 24.759 ( 11.525 2.228 5.182) 12.831 24.855 ( 6.122 0.488 2.670) 6.697 25.256 ( 0.151 1.451 0.262) 1.482 25.376 ( -3.958 -2.303 1.581) 4.845 25.410 ( -7.188 1.677 -1.938) 7.631 25.547 ( -7.457 -2.425 -7.964) 11.176 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.031 16.963 7.684) 18.623 1.073 ( 0.267 18.053 5.418) 18.851 1.235 ( -0.692 -12.183 2.959) 12.556 1.314 ( 2.856 -3.356 4.070) 5.998 1.409 ( 3.296 5.785 0.905) 6.719 1.593 ( 3.777 -8.948 1.958) 9.908 1.675 ( -1.815 4.537 -2.440) 5.462 1.690 ( 2.912 3.726 -1.993) 5.132 1.765 ( -0.844 -1.937 -3.628) 4.199 1.794 ( 1.598 -2.195 0.954) 2.878 1.844 ( 2.088 5.435 -2.149) 6.206 2.007 ( -2.526 -5.032 0.562) 5.658 2.080 ( 2.526 4.243 -0.542) 4.968 2.127 ( 1.361 1.270 -3.797) 4.229 2.160 ( 4.212 3.519 -0.249) 5.495 2.211 ( -2.026 0.642 -1.401) 2.545 2.266 ( 2.676 4.115 1.353) 5.092 2.356 ( -2.863 -1.229 -2.235) 3.834 2.402 ( -1.841 -0.636 -0.815) 2.111 2.516 ( -2.614 0.082 4.490) 5.196 2.615 ( -0.608 -4.662 1.887) 5.066 2.668 ( -3.064 -1.030 3.251) 4.584 2.679 ( -3.553 -2.476 7.185) 8.389 2.760 ( -2.363 0.952 -0.664) 2.633 2.774 ( 0.145 -6.234 -0.520) 6.258 2.834 ( -2.807 -5.389 7.091) 9.339 2.988 ( -0.192 1.065 -1.721) 2.033 3.011 ( -0.966 -1.180 -2.636) 3.045 3.095 ( 4.595 5.883 7.207) 10.376 3.228 ( 0.339 -5.779 5.043) 7.678 3.305 ( 2.035 4.726 0.058) 5.146 3.405 ( 2.120 -3.565 -3.868) 5.672 3.514 ( -1.145 4.894 0.285) 5.035 3.571 ( -1.123 -0.913 0.101) 1.451 3.611 ( 1.424 7.979 3.637) 8.884 3.656 ( 1.694 7.159 -2.692) 7.834 3.758 ( -1.785 -7.131 6.952) 10.118 3.876 ( 0.081 -7.041 2.062) 7.337 3.892 ( -0.671 1.782 -2.391) 3.057 3.916 ( -0.488 1.712 1.215) 2.155 3.935 ( -1.667 1.201 -1.157) 2.358 3.994 ( 0.762 -4.244 -0.433) 4.334 4.112 ( -2.077 2.272 3.690) 4.805 4.147 ( -1.135 -0.150 1.549) 1.926 4.238 ( 0.781 3.740 1.605) 4.144 4.288 ( -1.389 1.106 -0.157) 1.782 4.343 ( -2.173 -0.168 -2.897) 3.625 4.415 ( 0.392 -4.135 -2.212) 4.706 4.474 ( -2.888 3.131 -6.276) 7.585 4.521 ( 1.740 -0.181 -2.960) 3.438 4.655 ( 0.919 0.004 -2.241) 2.422 4.703 ( -0.253 -4.202 -1.558) 4.489 4.815 ( -1.161 5.693 -1.402) 5.977 4.938 ( 0.858 -5.982 -4.469) 7.516 5.168 ( 3.521 1.411 -1.693) 4.154 5.187 ( 3.355 -0.319 -2.341) 4.104 5.286 ( -2.038 -0.326 1.120) 2.348 5.311 ( -2.422 -2.304 0.883) 3.457 5.476 ( 2.427 2.604 -0.145) 3.562 5.527 ( 2.620 -2.294 0.118) 3.484 5.880 ( -4.056 1.710 -2.446) 5.036 5.922 ( -2.364 -2.192 -2.048) 3.819 5.997 ( 2.974 0.250 2.364) 3.807 6.005 ( 2.066 -0.396 2.065) 2.948 6.476 ( 0.344 4.468 0.923) 4.575 6.554 ( 0.437 -0.692 -1.109) 1.378 6.600 ( -0.258 4.556 -0.134) 4.566 6.734 ( 0.365 -5.152 -3.674) 6.338 6.939 ( 0.584 4.883 -2.034) 5.322 7.026 ( -0.515 -3.107 1.569) 3.518 7.074 ( -0.228 0.341 -3.686) 3.709 7.123 ( -0.342 -3.749 -0.285) 3.776 7.720 ( 0.628 1.603 -0.282) 1.744 7.754 ( 0.851 -1.483 -1.407) 2.214 7.869 ( -1.204 3.436 -0.011) 3.641 7.948 ( -0.131 -3.618 -1.254) 3.831 8.037 ( -0.918 0.651 0.408) 1.197 8.058 ( 0.156 -1.160 -1.647) 2.021 8.352 ( -0.262 1.789 2.142) 2.803 8.426 ( 0.481 -4.958 -0.430) 5.000 8.931 ( 0.557 3.532 0.832) 3.671 9.009 ( 0.326 -4.000 -0.169) 4.017 9.106 ( -0.333 0.767 -2.476) 2.613 9.128 ( -0.906 -1.469 -1.823) 2.510 9.426 ( -0.837 0.815 1.255) 1.714 9.444 ( -0.617 -1.012 1.173) 1.668 9.489 ( 0.531 2.612 0.265) 2.679 9.537 ( 0.739 -2.101 -0.029) 2.227 9.751 ( 1.224 2.316 0.813) 2.743 9.788 ( 0.913 -1.371 1.649) 2.331 9.942 ( -0.528 0.640 -0.279) 0.875 9.960 ( -0.567 -1.007 -0.431) 1.233 11.818 ( 0.172 1.590 -1.478) 2.177 11.848 ( -0.204 -1.369 -1.733) 2.217 11.970 ( 1.184 0.970 0.059) 1.531 11.977 ( 0.133 0.362 0.183) 0.427 12.080 ( 0.137 2.193 -0.150) 2.202 12.117 ( -1.481 -1.373 0.195) 2.029 12.212 ( -1.161 2.459 -0.556) 2.775 12.265 ( 0.046 -2.398 -2.445) 3.425 12.849 ( 0.598 0.339 2.257) 2.359 12.875 ( 0.729 -1.408 0.357) 1.625 12.930 ( -2.165 -0.315 2.728) 3.497 12.952 ( -2.452 -2.021 2.544) 4.070 13.001 ( 3.427 1.993 -0.432) 3.988 13.046 ( 0.638 -2.218 -0.748) 2.426 13.365 ( 0.053 2.912 0.574) 2.968 13.404 ( 0.261 -0.888 -0.362) 0.994 13.619 ( 1.085 0.107 -0.951) 1.446 13.635 ( 0.583 -1.324 -1.244) 1.908 13.793 ( -0.319 0.744 1.902) 2.067 13.811 ( -1.212 -1.301 2.262) 2.877 13.910 ( 0.426 1.790 3.400) 3.866 13.941 ( 2.064 -1.100 5.243) 5.741 14.130 ( -0.506 2.855 -0.976) 3.059 14.205 ( -2.868 -4.299 -0.474) 5.189 14.700 ( -0.435 2.004 1.857) 2.767 14.743 ( 1.413 -2.122 2.392) 3.496 15.062 ( -0.263 11.987 -2.242) 12.198 15.268 ( 1.292 -7.449 -6.142) 9.741 15.385 ( -0.314 1.034 0.913) 1.415 15.397 ( -0.046 0.158 0.923) 0.937 15.701 ( -0.082 2.877 -1.168) 3.106 15.777 ( 0.067 -4.295 -0.492) 4.324 22.207 ( -0.277 5.899 -1.023) 5.994 22.282 ( 0.683 0.603 -3.589) 3.703 22.391 ( 0.985 -1.718 1.879) 2.730 22.412 ( 0.972 -2.693 1.916) 3.445 22.643 ( 2.940 0.989 -0.408) 3.128 22.657 ( 0.907 1.305 -0.608) 1.701 22.710 ( -1.598 2.839 1.764) 3.705 22.815 ( -5.386 -5.851 3.003) 8.501 23.093 ( -5.086 4.441 -0.597) 6.778 23.165 ( -3.169 -2.939 1.400) 4.543 23.342 ( 0.353 1.108 -2.163) 2.456 23.364 ( 0.464 -1.040 -1.603) 1.966 23.488 ( 2.225 3.806 1.237) 4.579 23.579 ( 1.380 -5.016 0.133) 5.204 23.719 ( -0.918 5.727 0.819) 5.858 23.831 ( 1.489 -5.014 0.747) 5.284 23.962 ( 1.205 1.547 -4.093) 4.538 23.984 ( 0.583 -0.682 -2.820) 2.959 24.020 ( -0.339 1.414 0.690) 1.609 24.058 ( -0.536 -2.285 0.175) 2.354 24.190 ( -0.097 1.642 0.129) 1.650 24.218 ( -0.292 -1.016 -0.604) 1.218 24.270 ( -0.591 2.358 -0.569) 2.496 24.309 ( -0.685 -0.548 -0.787) 1.178 24.377 ( -0.929 -0.282 0.647) 1.167 24.407 ( -1.737 -3.654 0.313) 4.058 24.946 ( 2.851 2.050 3.569) 5.007 24.991 ( 3.471 -2.527 3.148) 5.323 25.255 ( -0.976 -0.144 -1.525) 1.816 25.264 ( -2.531 -1.020 -1.349) 3.044 25.411 ( 0.753 0.772 -1.165) 1.588 25.415 ( 1.415 0.372 -1.637) 2.195 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 9.032 12.306 4.247) 15.844 1.098 ( 3.024 11.871 7.849) 14.549 1.329 ( 7.375 -4.964 -1.142) 8.963 1.417 ( 6.344 -6.920 3.471) 10.009 1.488 ( 4.743 3.003 1.117) 5.723 1.579 ( -3.549 -4.774 0.939) 6.022 1.713 ( 1.893 7.487 -0.046) 7.723 1.721 ( -0.791 3.444 0.138) 3.536 1.764 ( 1.929 2.735 0.854) 3.455 1.812 ( 3.810 -0.902 -0.628) 3.965 1.907 ( 1.741 -2.642 -3.565) 4.767 1.925 ( -4.892 -3.865 -0.888) 6.298 2.090 ( -2.736 4.472 5.169) 7.363 2.132 ( -5.953 -1.280 -0.486) 6.109 2.154 ( 3.368 9.870 1.963) 10.612 2.259 ( 4.331 -3.717 -6.839) 8.908 2.293 ( 0.779 1.945 -3.984) 4.502 2.333 ( 1.907 0.538 -7.792) 8.040 2.458 ( 4.965 2.229 0.175) 5.445 2.482 ( -0.149 1.834 7.765) 7.980 2.559 ( -4.861 1.078 1.660) 5.248 2.576 ( -2.735 -3.129 1.511) 4.422 2.628 ( -5.221 -6.568 4.596) 9.567 2.745 ( 2.811 -5.597 -1.298) 6.396 2.762 ( -0.637 -0.950 3.241) 3.437 2.819 ( 0.789 -3.778 0.817) 3.945 2.977 ( -1.992 -0.628 -0.165) 2.095 2.981 ( -0.306 -1.845 0.776) 2.025 3.164 ( 1.971 2.043 8.231) 8.706 3.213 ( -1.066 -1.924 5.515) 5.937 3.348 ( 0.014 5.351 2.888) 6.081 3.392 ( -3.209 1.978 -1.190) 3.953 3.508 ( -2.571 3.568 -3.874) 5.861 3.536 ( 1.010 -0.074 -1.960) 2.206 3.625 ( -0.376 6.575 3.095) 7.277 3.656 ( -1.555 2.393 0.437) 2.887 3.755 ( -1.741 2.277 0.145) 2.870 3.796 ( -1.868 -3.844 0.498) 4.303 3.860 ( -3.026 -3.233 1.783) 4.774 3.904 ( -0.495 -6.393 0.086) 6.413 3.953 ( -1.608 0.742 3.289) 3.735 3.982 ( 0.521 -1.493 0.165) 1.590 4.101 ( 1.067 3.133 1.564) 3.661 4.161 ( 1.473 -1.851 0.586) 2.437 4.229 ( -1.529 1.612 1.224) 2.537 4.277 ( -1.101 0.713 2.324) 2.668 4.304 ( -1.477 3.693 -3.716) 5.444 4.367 ( -4.404 -1.097 -1.803) 4.884 4.417 ( -1.822 -2.574 -4.483) 5.481 4.483 ( -4.284 -5.702 -0.202) 7.135 4.627 ( -3.677 0.436 -1.300) 3.924 4.656 ( -2.628 -1.755 0.178) 3.165 4.787 ( -0.183 8.688 -2.983) 9.187 4.955 ( 0.936 -7.234 -7.139) 10.206 5.245 ( -0.147 2.158 0.985) 2.377 5.283 ( 5.171 2.005 -0.772) 5.599 5.297 ( 3.255 -1.089 -0.458) 3.463 5.350 ( 8.041 -2.729 -2.132) 8.755 5.529 ( 2.394 2.659 0.333) 3.593 5.568 ( 1.702 -1.420 0.808) 2.360 5.808 ( -1.565 2.273 -0.769) 2.865 5.877 ( -1.137 -3.768 -0.662) 3.992 6.056 ( 2.285 2.328 0.315) 3.277 6.105 ( 6.036 -2.638 -0.395) 6.599 6.457 ( -3.287 5.142 0.676) 6.140 6.542 ( -2.156 -2.021 -1.090) 3.150 6.621 ( 2.873 2.420 -0.361) 3.774 6.715 ( -1.140 -4.784 -2.487) 5.511 6.934 ( -1.308 4.167 -1.611) 4.655 7.009 ( -1.167 -2.811 1.388) 3.345 7.081 ( 1.020 0.866 -3.389) 3.643 7.127 ( 0.768 -3.187 -0.983) 3.423 7.747 ( 2.089 1.511 -0.950) 2.747 7.781 ( 1.879 -1.464 -2.073) 3.158 7.856 ( -0.155 3.980 0.394) 4.003 7.944 ( -0.219 -4.040 -0.357) 4.062 8.036 ( 0.743 1.475 0.062) 1.653 8.071 ( 1.152 -1.812 -1.839) 2.827 8.342 ( -0.831 2.814 2.115) 3.617 8.432 ( 0.133 -5.584 -0.108) 5.587 8.939 ( 0.179 3.234 1.405) 3.530 9.012 ( 0.001 -3.710 0.098) 3.712 9.107 ( 0.540 0.184 -2.558) 2.621 9.118 ( -0.178 -0.814 -1.816) 1.998 9.410 ( -0.694 1.027 0.539) 1.352 9.434 ( -0.311 -1.385 0.503) 1.506 9.496 ( 0.080 2.552 0.515) 2.604 9.542 ( -0.272 -1.965 0.430) 2.029 9.760 ( -0.441 2.170 1.729) 2.809 9.794 ( -0.426 -1.292 2.331) 2.698 9.932 ( -0.391 0.652 -0.964) 1.228 9.946 ( -0.664 -0.757 -0.942) 1.378 11.825 ( 0.720 1.070 -1.604) 2.058 11.845 ( 0.062 -0.942 -1.581) 1.842 11.966 ( -1.353 1.209 -0.214) 1.827 11.979 ( -0.610 -0.032 0.756) 0.972 12.051 ( -3.110 1.718 1.656) 3.920 12.079 ( -1.363 -1.017 0.196) 1.712 12.191 ( -0.896 3.786 -1.338) 4.114 12.255 ( -0.635 -2.308 -1.712) 2.943 12.844 ( -1.354 0.644 0.863) 1.730 12.867 ( -2.953 -0.597 1.967) 3.598 12.895 ( 1.302 -0.556 0.300) 1.447 12.925 ( 0.445 -2.624 1.642) 3.127 13.096 ( 3.360 0.008 0.523) 3.400 13.104 ( 4.752 -1.181 0.963) 4.991 13.379 ( 1.342 3.021 -0.330) 3.322 13.421 ( 1.605 -1.072 -0.802) 2.090 13.639 ( 0.953 -0.224 -0.545) 1.121 13.649 ( 1.029 -1.081 -0.916) 1.751 13.759 ( -2.993 0.792 2.219) 3.809 13.778 ( -2.385 -0.844 1.709) 3.054 13.925 ( 1.089 3.271 2.734) 4.400 13.978 ( 1.116 -1.888 5.833) 6.232 14.135 ( 1.055 3.076 -1.053) 3.418 14.211 ( 3.262 -4.016 -2.732) 5.851 14.704 ( 0.904 3.569 1.083) 3.838 14.785 ( 2.305 -4.546 1.549) 5.327 15.070 ( 0.982 11.679 -0.796) 11.747 15.283 ( -0.063 -7.992 -2.593) 8.402 15.383 ( 0.105 0.816 0.117) 0.831 15.401 ( 1.032 -0.932 -0.224) 1.409 15.665 ( -3.301 3.167 -1.225) 4.736 15.740 ( -3.658 -3.871 -0.644) 5.365 22.196 ( -0.712 5.639 -1.313) 5.833 22.270 ( -1.655 0.076 -3.256) 3.653 22.402 ( -0.732 -1.177 2.732) 3.064 22.405 ( -1.277 -1.485 2.701) 3.337 22.646 ( -2.614 2.578 0.605) 3.721 22.655 ( -5.651 0.710 1.154) 5.811 22.688 ( 1.367 -0.504 0.046) 1.457 22.729 ( 0.865 -2.760 -0.213) 2.900 23.018 ( -2.072 4.911 1.166) 5.457 23.096 ( -3.189 -2.902 0.401) 4.330 23.329 ( -1.700 1.185 -0.652) 2.173 23.348 ( -1.854 -0.674 -0.247) 1.989 23.553 ( 3.638 2.250 0.080) 4.278 23.601 ( 0.620 -1.963 -2.192) 3.007 23.684 ( -2.313 7.331 -0.016) 7.687 23.818 ( -2.526 -5.619 -0.189) 6.164 23.987 ( 0.454 1.107 -0.185) 1.211 24.010 ( 3.035 -0.671 -2.425) 3.942 24.057 ( 2.956 -0.271 -0.566) 3.022 24.059 ( 0.613 -1.143 -0.265) 1.324 24.199 ( 0.843 1.791 -0.632) 2.078 24.223 ( 1.062 -0.255 -2.561) 2.784 24.279 ( 1.215 0.639 1.097) 1.757 24.297 ( 0.207 -0.693 -0.436) 0.845 24.370 ( -0.923 -1.334 0.479) 1.691 24.385 ( 0.594 -2.363 1.140) 2.690 24.905 ( -6.436 1.070 3.290) 7.307 24.938 ( -6.786 -2.066 3.375) 7.855 25.248 ( 1.102 0.971 -0.312) 1.501 25.274 ( 2.514 -1.583 -0.772) 3.069 25.466 ( 5.369 3.533 -2.066) 6.751 25.543 ( 7.659 -4.364 -2.668) 9.209 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.956 8.781 5.374) 11.425 1.219 ( 7.724 5.103 5.683) 10.862 1.400 ( 0.359 0.331 -1.724) 1.792 1.492 ( -1.893 -4.647 2.020) 5.410 1.547 ( 2.383 -1.691 -8.297) 8.797 1.586 ( 4.947 -2.857 -5.035) 7.615 1.658 ( -2.373 9.015 4.732) 10.455 1.722 ( -2.581 3.182 -8.287) 9.244 1.816 ( 2.001 -4.882 1.805) 5.576 1.831 ( -0.626 -1.790 -2.572) 3.195 1.887 ( -1.328 -2.460 2.038) 3.460 1.921 ( 1.864 -2.359 3.023) 4.263 2.027 ( -2.751 2.282 1.473) 3.866 2.055 ( -0.798 0.850 1.763) 2.114 2.158 ( -8.204 2.936 4.847) 9.971 2.249 ( -0.883 1.323 -0.263) 1.613 2.345 ( 3.855 0.048 -5.053) 6.356 2.381 ( 1.142 -0.272 -2.855) 3.087 2.482 ( -0.099 -1.117 3.901) 4.059 2.498 ( 0.477 2.456 -0.355) 2.527 2.539 ( 1.455 -0.792 -0.125) 1.661 2.565 ( -0.059 -0.523 -3.894) 3.929 2.634 ( 8.228 7.704 0.634) 11.290 2.760 ( 1.179 -0.078 1.140) 1.642 2.811 ( 5.259 2.420 -0.030) 5.789 2.881 ( 3.098 0.797 0.730) 3.281 2.936 ( -1.661 -1.758 2.783) 3.687 3.021 ( 3.526 -11.610 2.813) 12.456 3.169 ( -0.375 3.077 3.025) 4.331 3.204 ( -1.897 -0.086 4.793) 5.156 3.300 ( -4.056 3.801 0.773) 5.612 3.321 ( -1.979 1.896 2.905) 3.994 3.468 ( -3.200 3.340 0.437) 4.646 3.506 ( -1.272 1.872 0.179) 2.270 3.593 ( -5.862 3.188 -2.396) 7.090 3.641 ( 1.425 1.992 2.921) 3.812 3.736 ( 0.005 -1.242 2.549) 2.836 3.756 ( -3.669 -5.914 2.601) 7.430 3.800 ( -2.504 -1.207 0.305) 2.797 3.871 ( -1.491 -4.146 -2.166) 4.909 3.930 ( -1.016 1.831 5.451) 5.839 3.991 ( -0.168 -2.418 4.397) 5.021 4.136 ( 1.782 2.847 0.615) 3.414 4.178 ( -3.599 2.820 1.840) 4.929 4.184 ( 1.050 -1.381 -0.731) 1.883 4.226 ( -3.036 -2.388 0.974) 3.984 4.281 ( -0.725 1.917 -1.109) 2.330 4.349 ( 1.984 -0.159 -2.072) 2.873 4.361 ( -2.737 -3.339 1.951) 4.737 4.459 ( 1.144 -4.549 -2.120) 5.148 4.557 ( -3.002 1.129 0.004) 3.207 4.611 ( -1.752 -4.418 1.220) 4.907 4.806 ( 1.932 8.819 -6.149) 10.923 4.968 ( 0.854 -6.925 -9.467) 11.761 5.245 ( 0.347 2.291 1.012) 2.528 5.303 ( 0.213 -2.655 -0.190) 2.670 5.399 ( 3.249 4.784 -0.109) 5.784 5.473 ( 3.897 -1.720 -1.389) 4.481 5.561 ( 1.612 2.625 -0.968) 3.229 5.592 ( 0.203 -0.260 -0.400) 0.518 5.839 ( 4.696 0.874 -0.061) 4.777 5.889 ( 2.163 -2.938 1.369) 3.896 6.074 ( -0.857 5.743 -0.655) 5.844 6.194 ( 2.871 -5.931 -2.172) 6.938 6.367 ( -4.952 4.883 1.116) 7.043 6.464 ( -4.861 -4.070 -0.677) 6.375 6.683 ( 2.695 0.374 -1.217) 2.980 6.711 ( 0.442 -2.143 -2.136) 3.058 6.896 ( -2.167 4.948 0.414) 5.417 6.991 ( -0.618 -4.204 0.900) 4.343 7.100 ( 1.042 1.369 -3.336) 3.754 7.144 ( 0.870 -2.782 -2.025) 3.549 7.782 ( 1.269 1.717 -1.918) 2.870 7.806 ( 0.414 0.092 -3.144) 3.172 7.867 ( 1.326 2.418 1.227) 3.018 7.943 ( 0.242 -3.690 0.506) 3.733 8.057 ( 1.236 1.501 0.077) 1.945 8.091 ( 0.852 -1.534 -1.884) 2.575 8.329 ( -0.446 3.177 2.420) 4.018 8.432 ( -0.159 -6.263 -0.014) 6.265 8.938 ( -0.435 2.962 1.995) 3.598 9.010 ( -0.317 -3.925 0.792) 4.016 9.117 ( 0.365 0.043 -2.077) 2.109 9.119 ( 0.672 -0.254 -1.917) 2.047 9.405 ( 0.167 1.405 -0.089) 1.417 9.436 ( 0.610 -1.799 -0.150) 1.906 9.492 ( -0.479 1.989 0.339) 2.073 9.529 ( -0.988 -1.604 0.295) 1.907 9.740 ( -1.537 2.115 2.947) 3.940 9.776 ( -1.499 -1.499 3.061) 3.723 9.929 ( 0.112 0.526 -1.791) 1.870 9.941 ( 0.264 -0.633 -1.380) 1.541 11.840 ( 0.658 0.870 -1.657) 1.984 11.852 ( 0.829 -0.334 -0.928) 1.289 11.932 ( -1.804 1.036 -0.527) 2.146 11.946 ( -2.184 -0.326 1.049) 2.445 12.012 ( -1.130 2.574 2.375) 3.680 12.065 ( -0.267 -2.396 1.579) 2.882 12.175 ( -0.642 4.353 -1.657) 4.702 12.244 ( -0.454 -2.345 -1.476) 2.808 12.816 ( -1.136 0.148 0.530) 1.263 12.830 ( -1.324 -1.295 1.085) 2.147 12.922 ( 1.390 -0.387 0.483) 1.522 12.947 ( 1.286 -2.656 0.811) 3.060 13.144 ( 1.295 0.788 1.678) 2.261 13.158 ( 1.089 -0.782 1.989) 2.399 13.409 ( 1.615 3.662 -1.845) 4.407 13.460 ( 2.068 -1.350 -2.391) 3.437 13.658 ( 1.170 -0.148 0.362) 1.233 13.672 ( 1.367 -1.303 0.080) 1.890 13.702 ( -2.767 0.757 1.748) 3.359 13.725 ( -2.935 -1.327 1.263) 3.460 13.948 ( 0.898 3.621 2.244) 4.353 13.999 ( 0.800 -1.053 4.224) 4.426 14.162 ( 1.568 6.002 -1.600) 6.407 14.287 ( 4.165 -5.914 -3.582) 8.072 14.726 ( 0.737 4.544 0.662) 4.651 14.809 ( 0.118 -2.747 -1.581) 3.172 15.106 ( 2.974 6.814 2.633) 7.887 15.261 ( -1.565 -6.350 1.327) 6.674 15.398 ( 0.826 0.780 -0.656) 1.312 15.422 ( 0.697 -1.999 0.353) 2.147 15.603 ( -2.076 1.606 -2.527) 3.644 15.651 ( -5.205 -2.861 -1.207) 6.061 22.182 ( -0.521 4.970 -1.714) 5.283 22.224 ( -2.497 2.138 -2.044) 3.871 22.359 ( -2.412 -0.347 3.634) 4.376 22.392 ( -0.830 -4.134 1.899) 4.625 22.559 ( -2.601 3.519 1.999) 4.811 22.620 ( -1.626 -1.897 1.290) 2.812 22.707 ( 1.002 2.414 -0.719) 2.711 22.773 ( 2.805 -3.209 -1.920) 4.675 23.006 ( 0.407 3.426 2.849) 4.474 23.061 ( -0.529 -2.068 1.374) 2.539 23.284 ( -2.541 1.767 -0.230) 3.104 23.306 ( -2.185 -0.670 -0.183) 2.293 23.599 ( 0.171 3.360 -1.072) 3.531 23.612 ( 1.640 0.932 -2.416) 3.065 23.656 ( -0.367 2.874 -1.433) 3.233 23.762 ( -2.674 -5.667 -1.061) 6.355 23.995 ( 0.119 1.581 0.999) 1.874 24.038 ( 0.153 -2.604 0.322) 2.629 24.082 ( 1.453 1.007 -1.687) 2.444 24.101 ( 1.463 -0.631 -0.753) 1.763 24.213 ( 0.754 1.803 -1.782) 2.645 24.241 ( 0.625 -0.646 -3.187) 3.312 24.312 ( 0.469 -0.218 1.033) 1.155 24.314 ( 1.841 0.299 0.099) 1.868 24.365 ( 1.772 2.551 1.238) 3.344 24.439 ( 4.809 -4.632 0.437) 6.691 24.757 ( -8.376 0.629 3.572) 9.128 24.797 ( -7.688 -2.996 1.968) 8.483 25.281 ( 1.860 2.112 1.319) 3.108 25.330 ( 2.901 -2.668 1.070) 4.084 25.562 ( 4.260 3.582 -3.616) 6.637 25.643 ( 2.754 -4.458 -3.224) 6.153 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -4.814 6.290 4.459) 9.090 1.275 ( -0.195 0.101 4.388) 4.394 1.393 ( 0.100 5.776 -4.898) 7.573 1.481 ( -2.063 3.168 -4.169) 5.628 1.528 ( -1.280 -3.272 -4.751) 5.909 1.560 ( -4.152 -2.462 -8.315) 9.615 1.669 ( 2.327 0.460 -2.150) 3.202 1.723 ( -2.527 0.612 -5.896) 6.444 1.792 ( 2.763 -2.564 -1.282) 3.982 1.861 ( 1.523 -3.800 0.958) 4.204 1.927 ( 0.619 2.715 4.579) 5.359 1.930 ( 0.946 1.399 3.667) 4.037 2.008 ( -4.629 -1.237 1.943) 5.170 2.024 ( -1.336 -1.315 7.304) 7.541 2.035 ( 0.532 3.799 1.870) 4.267 2.186 ( -3.092 -7.409 1.761) 8.219 2.359 ( -2.221 1.770 -2.673) 3.900 2.372 ( -0.019 -0.379 1.803) 1.843 2.515 ( 0.046 2.791 -2.219) 3.566 2.537 ( -0.044 1.750 -3.845) 4.225 2.550 ( 3.182 0.255 -4.031) 5.142 2.595 ( 3.890 -1.210 -6.245) 7.457 2.781 ( 5.283 4.634 2.923) 7.611 2.795 ( 1.648 1.313 1.820) 2.784 2.870 ( -0.301 2.069 3.147) 3.778 2.926 ( -0.826 -0.673 2.101) 2.356 2.992 ( -1.225 1.872 3.239) 3.937 3.019 ( 5.461 -0.546 1.948) 5.824 3.119 ( -5.643 4.358 0.193) 7.132 3.149 ( -1.186 2.751 0.001) 2.995 3.260 ( -1.858 2.523 2.898) 4.268 3.343 ( 0.662 -1.189 1.351) 1.917 3.449 ( 1.463 3.520 1.726) 4.184 3.473 ( 1.572 3.075 4.217) 5.451 3.539 ( 1.799 -1.900 1.313) 2.927 3.634 ( -5.262 -7.586 3.501) 9.874 3.663 ( 0.245 1.619 1.345) 2.119 3.756 ( -1.410 -3.771 4.526) 6.058 3.801 ( 2.980 2.046 -0.023) 3.615 3.875 ( 0.745 -0.299 -0.336) 0.870 3.912 ( -0.843 -1.868 3.597) 4.140 3.998 ( 2.473 -4.453 5.083) 7.195 4.119 ( -2.114 2.771 0.398) 3.508 4.158 ( -0.828 -0.696 0.976) 1.457 4.186 ( 0.933 1.067 1.431) 2.015 4.215 ( 1.663 -0.085 -1.438) 2.200 4.291 ( 1.887 -1.131 -0.954) 2.398 4.338 ( 0.193 -3.811 2.332) 4.473 4.396 ( 2.159 0.732 2.177) 3.153 4.463 ( -0.908 -3.921 3.469) 5.314 4.534 ( 0.209 1.490 -3.876) 4.157 4.589 ( -1.024 -3.792 -1.629) 4.252 4.835 ( 0.975 7.605 -7.041) 10.410 4.977 ( 0.668 -5.882 -10.444) 12.005 5.255 ( 0.400 0.741 0.227) 0.872 5.297 ( -0.799 -2.361 -1.502) 2.910 5.405 ( -1.996 4.953 1.932) 5.679 5.479 ( -3.018 -2.110 0.243) 3.691 5.585 ( 0.431 1.700 -1.863) 2.559 5.596 ( 0.637 0.889 -2.510) 2.738 5.933 ( 2.813 -0.168 1.460) 3.174 5.945 ( 2.441 -1.139 3.080) 4.092 6.010 ( -4.325 8.619 -1.380) 9.741 6.186 ( -2.730 -8.174 -3.764) 9.404 6.324 ( 0.784 4.570 0.724) 4.693 6.420 ( 0.727 -4.840 0.045) 4.895 6.701 ( -0.602 0.502 -2.288) 2.418 6.713 ( -0.397 -1.111 -2.201) 2.497 6.873 ( 0.003 6.023 1.456) 6.197 6.991 ( 0.565 -5.530 1.007) 5.649 7.113 ( 0.437 1.400 -3.347) 3.655 7.154 ( 0.311 -2.588 -2.380) 3.529 7.783 ( -1.042 1.445 -2.081) 2.740 7.796 ( -0.934 0.661 -2.617) 2.856 7.894 ( 1.181 1.874 0.845) 2.370 7.953 ( 0.580 -2.772 0.252) 2.844 8.076 ( 0.679 0.985 0.353) 1.247 8.096 ( -0.188 -0.511 -1.754) 1.836 8.330 ( 0.300 2.322 2.756) 3.616 8.426 ( -0.406 -6.294 -0.234) 6.312 8.927 ( -0.670 2.898 1.937) 3.550 9.002 ( -0.472 -4.278 0.996) 4.418 9.122 ( 0.313 0.758 -1.631) 1.826 9.138 ( 1.230 -0.859 -1.673) 2.248 9.416 ( 0.876 1.898 0.067) 2.092 9.453 ( 0.981 -1.905 0.186) 2.151 9.481 ( -0.581 1.385 -0.479) 1.576 9.509 ( -1.023 -1.267 -0.360) 1.668 9.713 ( -1.287 1.946 3.134) 3.907 9.749 ( -1.253 -1.643 2.979) 3.626 9.933 ( 0.451 0.718 -1.524) 1.745 9.950 ( 0.622 -0.897 -1.419) 1.790 11.839 ( -0.602 1.790 -0.758) 2.036 11.865 ( 0.083 -0.535 -0.760) 0.933 11.915 ( 0.221 0.292 -0.552) 0.662 11.925 ( 0.304 -0.572 -0.139) 0.663 12.001 ( -0.095 3.313 2.825) 4.355 12.071 ( 0.815 -3.165 2.399) 4.054 12.169 ( 0.242 4.152 -1.597) 4.455 12.237 ( -0.174 -2.399 -1.672) 2.929 12.806 ( 0.002 -0.241 0.698) 0.738 12.815 ( -0.284 -1.240 0.706) 1.455 12.941 ( 0.530 -0.539 0.378) 0.845 12.962 ( 0.095 -2.437 0.533) 2.496 13.147 ( -0.788 1.141 2.424) 2.793 13.163 ( -0.556 -0.531 1.883) 2.034 13.428 ( 0.305 3.943 -2.633) 4.752 13.477 ( -0.278 -0.909 -3.413) 3.543 13.652 ( -1.806 -0.254 1.881) 2.620 13.666 ( -2.234 -1.300 1.323) 2.904 13.698 ( 1.728 -0.221 0.479) 1.807 13.707 ( 1.768 -1.052 0.533) 2.126 13.954 ( -0.511 3.667 1.935) 4.177 14.005 ( -0.597 -1.110 3.418) 3.643 14.186 ( 0.882 8.214 -2.051) 8.512 14.348 ( 2.116 -7.514 -2.963) 8.350 14.710 ( -2.083 5.764 0.250) 6.134 14.807 ( -0.118 -3.076 -2.967) 4.275 15.167 ( 2.241 4.247 4.906) 6.865 15.252 ( 0.595 -2.750 2.744) 3.930 15.374 ( -2.153 0.306 -1.209) 2.489 15.429 ( -1.052 -3.784 1.019) 4.058 15.572 ( -1.609 1.023 -3.258) 3.774 15.607 ( 2.253 -2.202 -2.107) 3.790 22.179 ( 0.371 4.488 -1.874) 4.877 22.193 ( -0.451 3.354 -1.450) 3.682 22.329 ( -0.831 -0.631 3.202) 3.367 22.382 ( -0.230 -5.626 1.334) 5.786 22.538 ( -0.195 2.871 1.905) 3.452 22.594 ( -0.865 -2.443 1.796) 3.153 22.728 ( 1.130 5.056 -1.389) 5.364 22.823 ( 2.416 -3.973 -0.895) 4.735 23.033 ( 2.326 2.557 4.462) 5.644 23.073 ( 1.502 -1.423 2.551) 3.284 23.248 ( -0.996 1.916 -0.792) 2.300 23.275 ( -0.854 -0.850 -0.985) 1.556 23.587 ( -1.026 5.296 -1.405) 5.574 23.640 ( 1.497 0.630 -1.823) 2.441 23.657 ( -0.078 0.243 -2.017) 2.033 23.734 ( 0.057 -5.480 -1.390) 5.654 23.990 ( -0.692 1.590 1.074) 2.040 24.031 ( -0.764 -2.518 0.302) 2.649 24.097 ( 0.167 0.657 -1.277) 1.446 24.114 ( 0.049 -0.656 -0.967) 1.169 24.226 ( 0.592 1.790 -1.652) 2.507 24.250 ( 0.435 -0.344 -2.444) 2.506 24.311 ( -0.138 0.503 0.715) 0.885 24.323 ( -0.409 -0.221 0.681) 0.825 24.446 ( 5.037 4.702 -0.597) 6.916 24.536 ( 4.239 -4.087 -2.406) 6.361 24.616 ( -5.932 -0.071 4.986) 7.749 24.667 ( -5.130 -4.625 2.727) 7.426 25.308 ( 0.731 2.881 2.143) 3.665 25.372 ( 1.146 -3.309 2.383) 4.236 25.609 ( 0.717 1.520 -4.851) 5.134 25.647 ( -1.895 -2.177 -3.326) 4.404 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -7.630 11.623 4.805) 14.710 1.230 ( -5.347 -1.198 8.454) 10.075 1.378 ( -2.812 5.323 -7.729) 9.797 1.396 ( -2.576 5.985 -3.860) 7.573 1.491 ( -1.894 -3.448 -4.184) 5.743 1.555 ( 0.490 -8.059 -4.656) 9.320 1.637 ( -5.310 4.438 -2.520) 7.365 1.702 ( -0.606 -2.314 -3.697) 4.403 1.778 ( -0.133 -2.144 -4.024) 4.561 1.820 ( -5.115 -4.862 2.682) 7.550 1.926 ( -1.824 0.637 2.581) 3.224 1.955 ( 0.932 2.132 4.172) 4.777 1.997 ( 3.899 -3.653 3.085) 6.170 2.031 ( -0.536 -5.487 0.468) 5.533 2.086 ( 3.685 6.648 2.615) 8.038 2.199 ( 4.012 -2.125 1.412) 4.755 2.338 ( 0.960 1.385 -3.116) 3.542 2.364 ( -1.527 1.941 -3.421) 4.219 2.453 ( -5.263 7.951 1.851) 9.713 2.532 ( 1.189 0.033 -0.888) 1.484 2.631 ( 3.336 1.678 -2.676) 4.594 2.648 ( 1.755 1.154 -4.741) 5.186 2.734 ( -5.487 3.221 3.787) 7.404 2.821 ( -1.421 -5.084 3.297) 6.224 2.863 ( -0.541 5.206 3.602) 6.354 2.914 ( 2.619 1.040 3.772) 4.708 2.979 ( -4.887 -0.617 2.462) 5.507 3.017 ( -1.321 3.595 1.209) 4.016 3.057 ( -1.404 -3.119 0.194) 3.426 3.164 ( 1.466 -7.747 6.156) 10.003 3.271 ( 2.961 2.916 -1.714) 4.495 3.306 ( -2.313 -0.310 -0.738) 2.448 3.524 ( 4.105 4.204 1.601) 6.090 3.544 ( 4.360 3.201 4.070) 6.769 3.572 ( 0.411 -1.177 1.070) 1.642 3.643 ( -0.128 1.646 3.777) 4.123 3.667 ( 4.300 -2.832 -0.031) 5.148 3.726 ( -0.655 -2.246 3.500) 4.210 3.845 ( 1.444 -0.391 0.467) 1.568 3.900 ( 3.189 9.609 -0.470) 10.135 3.914 ( 0.563 -5.731 0.677) 5.798 4.071 ( -0.944 4.240 2.238) 4.887 4.107 ( 3.670 -6.534 2.815) 8.006 4.152 ( 1.013 -2.404 1.889) 3.221 4.219 ( 1.061 3.048 0.999) 3.379 4.262 ( 3.500 -1.330 -0.177) 3.749 4.345 ( 2.475 -1.367 2.779) 3.964 4.370 ( 3.893 -1.809 -3.509) 5.545 4.415 ( 0.379 0.139 3.350) 3.374 4.481 ( 2.959 -4.428 0.902) 5.401 4.520 ( -1.303 1.057 -2.097) 2.686 4.566 ( -0.734 -3.041 -1.159) 3.336 4.826 ( -1.280 8.134 -5.886) 10.121 4.983 ( 0.225 -6.497 -9.435) 11.458 5.246 ( -2.051 -0.415 1.107) 2.368 5.266 ( -2.760 -0.994 -0.493) 2.975 5.359 ( -2.088 4.010 -0.805) 4.592 5.414 ( -2.252 -1.266 -3.011) 3.967 5.561 ( -3.379 0.610 -0.255) 3.444 5.569 ( -3.870 -0.288 -1.026) 4.014 5.891 ( -2.975 2.858 1.307) 4.328 5.921 ( -2.566 -0.739 2.759) 3.840 6.026 ( 1.688 4.049 -1.243) 4.560 6.146 ( -2.014 -6.915 -4.814) 8.663 6.376 ( 4.055 4.931 0.953) 6.455 6.469 ( 3.865 -4.071 -0.218) 5.617 6.667 ( -2.534 1.796 -1.487) 3.444 6.700 ( -0.512 -0.800 -2.226) 2.420 6.892 ( 1.630 5.335 0.704) 5.623 7.007 ( 0.896 -5.671 1.348) 5.897 7.111 ( -0.510 1.108 -3.450) 3.659 7.152 ( -0.443 -2.873 -1.955) 3.503 7.753 ( -1.731 1.528 -2.061) 3.094 7.772 ( -1.327 -0.194 -1.959) 2.374 7.907 ( 0.032 2.182 0.357) 2.211 7.958 ( -0.101 -1.998 -0.664) 2.108 8.080 ( -0.328 -0.010 0.740) 0.809 8.084 ( -0.922 0.140 -1.420) 1.699 8.340 ( 0.503 1.187 2.765) 3.051 8.419 ( -0.302 -5.702 -0.408) 5.725 8.919 ( -0.201 3.093 1.258) 3.345 8.997 ( -0.024 -4.430 0.552) 4.464 9.125 ( 0.011 1.511 -1.619) 2.214 9.155 ( 0.465 -1.516 -1.292) 2.045 9.431 ( 0.525 1.957 0.676) 2.136 9.460 ( -0.394 -1.041 0.729) 1.331 9.479 ( 0.319 0.478 -0.328) 0.661 9.499 ( 0.369 -1.097 -1.125) 1.614 9.702 ( 0.108 2.086 2.462) 3.229 9.740 ( 0.330 -1.704 2.304) 2.885 9.942 ( 0.481 0.641 -0.859) 1.175 9.959 ( 0.420 -1.022 -0.996) 1.488 11.826 ( -0.587 2.101 -0.860) 2.345 11.858 ( -0.387 -0.999 -1.218) 1.622 11.927 ( 0.826 0.537 -0.208) 1.007 11.945 ( 1.244 -0.972 -0.020) 1.579 12.017 ( 1.660 4.393 2.502) 5.321 12.095 ( 1.478 -2.665 1.898) 3.590 12.186 ( 1.660 2.223 -1.042) 2.963 12.237 ( 0.355 -2.183 -1.925) 2.932 12.813 ( 0.585 -0.251 1.091) 1.263 12.822 ( 1.096 -0.928 0.788) 1.638 12.942 ( -0.576 -0.960 0.357) 1.175 12.951 ( -1.043 -1.555 0.663) 1.986 13.125 ( -1.616 0.971 1.744) 2.568 13.137 ( -2.313 -0.321 1.304) 2.674 13.415 ( -1.557 3.343 -1.723) 4.071 13.451 ( -1.960 -0.403 -2.678) 3.343 13.621 ( -1.637 -0.534 0.763) 1.884 13.632 ( -0.890 -1.433 0.333) 1.720 13.740 ( 2.297 -0.250 0.927) 2.489 13.747 ( 2.293 -0.884 1.813) 3.054 13.933 ( -1.578 3.209 1.649) 3.938 13.980 ( -2.068 -1.214 2.859) 3.732 14.187 ( -0.823 8.090 -1.307) 8.236 14.351 ( -1.838 -8.050 -1.324) 8.363 14.680 ( -0.511 5.751 -0.233) 5.778 14.792 ( -1.387 -5.356 -1.359) 5.697 15.157 ( -3.394 8.050 3.977) 9.599 15.270 ( 0.706 -1.627 1.602) 2.390 15.365 ( 0.442 -1.156 -1.553) 1.986 15.388 ( -1.084 -4.163 -1.546) 4.571 15.598 ( 3.481 3.097 -2.506) 5.290 15.668 ( 3.884 -3.734 -0.275) 5.394 22.193 ( 0.941 4.890 -1.797) 5.294 22.206 ( 1.831 3.719 -1.877) 4.551 22.333 ( 1.084 -1.496 2.569) 3.165 22.382 ( 0.007 -6.122 1.789) 6.378 22.547 ( 1.144 2.966 1.437) 3.488 22.598 ( 1.157 -2.167 1.144) 2.710 22.742 ( 0.341 6.385 -0.925) 6.460 22.859 ( 1.257 -4.505 0.751) 4.737 23.094 ( 3.335 1.723 5.346) 6.533 23.117 ( 2.987 -0.934 3.563) 4.742 23.253 ( 1.812 1.413 -1.354) 2.667 23.277 ( 1.139 -0.735 -1.956) 2.380 23.557 ( -2.200 4.491 -2.413) 5.552 23.641 ( -1.411 -2.948 -2.248) 3.967 23.674 ( 2.111 2.294 -0.011) 3.118 23.755 ( 1.742 -4.574 -1.808) 5.218 23.971 ( -1.259 1.629 0.297) 2.080 24.010 ( -1.416 -2.161 -0.710) 2.680 24.086 ( -1.190 0.550 -0.767) 1.519 24.106 ( -0.836 -1.212 -0.809) 1.680 24.226 ( -0.682 1.800 -1.853) 2.672 24.249 ( -0.538 -0.311 -2.232) 2.317 24.308 ( -0.712 0.556 0.148) 0.916 24.313 ( -0.081 0.325 1.265) 1.308 24.461 ( -2.888 1.473 0.519) 3.283 24.512 ( -4.636 -3.605 0.684) 5.912 24.629 ( 7.366 2.700 2.483) 8.229 24.700 ( 6.369 -3.890 1.924) 7.707 25.308 ( -0.808 2.870 2.003) 3.592 25.371 ( -1.419 -3.269 2.468) 4.335 25.566 ( -5.146 0.905 -3.844) 6.487 25.592 ( -3.288 -1.684 -4.829) 6.080 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.210 15.317 8.250) 17.691 1.116 ( -5.819 10.281 7.537) 14.013 1.314 ( -4.123 -5.591 -0.377) 6.957 1.343 ( -3.737 5.766 0.669) 6.903 1.409 ( -6.373 -1.391 -0.844) 6.577 1.511 ( 3.018 -6.126 0.257) 6.834 1.654 ( -0.457 -2.437 -2.388) 3.442 1.678 ( 4.792 -1.563 -4.844) 6.991 1.744 ( -1.653 0.326 -5.742) 5.984 1.814 ( -0.891 -2.393 -5.163) 5.760 1.880 ( -4.292 3.864 2.672) 6.363 1.995 ( 4.247 -0.667 -1.376) 4.514 2.017 ( 0.937 -3.086 0.590) 3.279 2.044 ( 3.212 -5.232 2.983) 6.825 2.142 ( 1.709 5.994 0.252) 6.238 2.258 ( -1.557 -3.634 -0.880) 4.050 2.297 ( -5.682 17.323 7.862) 19.854 2.357 ( 3.087 4.360 -3.888) 6.607 2.416 ( 0.643 -2.082 -3.733) 4.322 2.558 ( -0.251 -4.665 5.322) 7.082 2.624 ( -1.317 3.608 1.208) 4.026 2.678 ( 0.277 0.506 2.672) 2.733 2.705 ( 2.121 -1.370 -2.740) 3.726 2.784 ( -3.763 -5.973 4.212) 8.220 2.825 ( -3.229 1.062 2.140) 4.017 2.904 ( -4.223 -4.475 5.896) 8.522 2.971 ( 3.585 0.556 -0.314) 3.641 2.990 ( 0.361 -0.141 -0.192) 0.432 3.041 ( 0.361 4.063 2.604) 4.840 3.199 ( 1.680 -10.127 7.408) 12.660 3.287 ( 0.462 3.239 -2.754) 4.277 3.352 ( 3.783 -2.798 -5.684) 7.379 3.551 ( -1.946 3.696 4.740) 6.317 3.576 ( 1.552 5.036 4.439) 6.890 3.592 ( -2.127 0.326 1.350) 2.540 3.616 ( 2.014 4.067 -0.468) 4.562 3.763 ( 6.592 1.846 0.330) 6.853 3.790 ( 1.792 -6.448 3.891) 7.742 3.878 ( 3.584 -1.930 1.021) 4.197 3.903 ( -0.589 -4.640 -0.976) 4.778 3.962 ( 0.814 6.656 -2.261) 7.077 4.026 ( -3.085 2.227 -1.078) 3.955 4.140 ( -0.705 1.059 6.358) 6.484 4.182 ( 0.272 -2.893 1.765) 3.400 4.211 ( -0.252 5.221 1.227) 5.369 4.320 ( 0.078 -3.927 2.932) 4.901 4.381 ( 2.382 0.771 -0.765) 2.618 4.395 ( -2.455 -0.404 -3.313) 4.143 4.448 ( 2.952 2.510 -6.082) 7.211 4.493 ( 1.510 -0.684 -2.651) 3.127 4.591 ( 5.153 -2.061 -1.198) 5.677 4.622 ( 7.090 -4.742 1.475) 8.656 4.806 ( 0.159 7.064 -3.314) 7.804 4.963 ( -1.864 -7.677 -6.424) 10.182 5.176 ( -3.802 1.548 -1.045) 4.236 5.205 ( -3.054 -0.289 -0.277) 3.080 5.333 ( -1.682 2.324 -1.234) 3.123 5.381 ( -3.058 -2.084 -1.845) 4.135 5.475 ( -3.518 0.689 0.954) 3.710 5.498 ( -1.101 -1.113 -0.702) 1.716 5.880 ( 1.305 1.448 -0.249) 1.965 5.910 ( 1.423 -1.028 0.837) 1.945 6.019 ( -2.073 1.492 0.243) 2.565 6.068 ( -5.902 -3.359 -2.000) 7.080 6.451 ( 2.910 4.989 0.640) 5.811 6.533 ( 2.126 -1.871 -1.490) 3.200 6.620 ( -1.938 3.601 0.054) 4.090 6.707 ( 1.619 -2.912 -2.881) 4.405 6.922 ( 1.307 5.131 -0.668) 5.337 7.023 ( 0.626 -4.642 1.452) 4.904 7.092 ( -1.173 0.680 -3.656) 3.900 7.137 ( -0.919 -3.669 -1.004) 3.914 7.724 ( -0.982 1.622 -1.314) 2.307 7.752 ( -0.532 -0.912 -1.540) 1.867 7.895 ( -1.240 2.563 0.098) 2.849 7.953 ( -0.292 -2.491 -1.381) 2.863 8.062 ( -1.377 -0.158 0.349) 1.430 8.067 ( -0.876 -0.433 -0.902) 1.330 8.350 ( 0.325 1.013 2.451) 2.672 8.418 ( 0.300 -5.043 -0.481) 5.075 8.921 ( 0.340 3.452 0.747) 3.548 9.001 ( 0.421 -4.322 0.046) 4.343 9.118 ( -0.614 1.451 -2.091) 2.618 9.149 ( -0.936 -1.673 -1.448) 2.402 9.435 ( -0.138 1.114 1.160) 1.614 9.452 ( -0.402 -0.704 0.833) 1.162 9.482 ( 0.141 1.488 0.392) 1.545 9.517 ( 1.228 -1.661 -0.734) 2.192 9.721 ( 1.582 2.426 1.365) 3.201 9.762 ( 1.541 -1.598 1.693) 2.792 9.948 ( 0.032 0.483 -0.369) 0.609 9.964 ( 0.090 -1.032 -0.479) 1.141 11.818 ( -0.156 1.976 -1.275) 2.357 11.852 ( -0.186 -1.350 -1.650) 2.140 11.945 ( 1.183 1.176 -0.001) 1.668 11.966 ( 0.909 -0.620 0.292) 1.138 12.057 ( 2.032 4.033 1.079) 4.643 12.120 ( 0.817 -1.644 0.693) 1.962 12.217 ( 0.944 0.662 -0.453) 1.239 12.251 ( 1.208 -2.162 -2.284) 3.369 12.830 ( 1.047 0.147 1.975) 2.240 12.854 ( 1.875 -1.849 1.163) 2.879 12.925 ( -0.085 0.594 0.409) 0.726 12.942 ( -0.060 -1.093 1.501) 1.858 13.067 ( -4.751 0.487 0.387) 4.792 13.084 ( -3.153 -1.079 0.370) 3.353 13.379 ( -1.589 2.901 0.056) 3.309 13.415 ( -1.397 -0.562 -1.007) 1.812 13.606 ( 0.133 0.166 -0.397) 0.450 13.627 ( 0.240 -1.659 -0.885) 1.896 13.777 ( 1.557 0.443 1.386) 2.131 13.797 ( 2.439 -1.955 3.081) 4.389 13.907 ( -0.902 2.359 2.097) 3.283 13.940 ( -1.823 -0.795 2.921) 3.534 14.157 ( -1.936 5.838 -0.529) 6.173 14.285 ( -4.553 -6.691 -0.055) 8.093 14.691 ( 1.176 3.216 0.893) 3.539 14.755 ( -2.226 -3.593 1.098) 4.367 15.091 ( -2.815 10.461 -0.041) 10.834 15.262 ( -0.557 -5.573 -3.773) 6.753 15.380 ( 1.243 0.663 -0.720) 1.582 15.393 ( 0.235 -0.568 0.635) 0.884 15.668 ( 3.305 2.754 -1.553) 4.574 15.741 ( 3.369 -4.235 0.034) 5.412 22.206 ( 0.439 5.687 -1.267) 5.843 22.250 ( 2.533 2.903 -3.066) 4.924 22.367 ( 1.900 -2.338 1.539) 3.383 22.386 ( 0.590 -4.910 2.392) 5.494 22.586 ( 2.821 2.600 0.555) 3.876 22.629 ( 1.752 -1.482 0.740) 2.411 22.737 ( -0.937 6.434 0.060) 6.502 22.866 ( -0.765 -5.281 2.306) 5.813 23.139 ( 0.598 1.986 2.255) 3.063 23.177 ( 1.975 -1.987 3.880) 4.786 23.311 ( 2.967 0.410 -1.781) 3.485 23.318 ( 3.762 -0.319 -1.490) 4.059 23.501 ( -3.009 4.101 -1.748) 5.379 23.595 ( -2.904 -4.823 -1.626) 5.860 23.714 ( 1.527 2.492 1.001) 3.089 23.789 ( 2.077 -4.045 -1.255) 4.717 23.954 ( -0.120 1.751 -1.432) 2.265 23.985 ( -0.905 -1.015 -1.669) 2.153 24.054 ( -2.113 0.554 -0.421) 2.225 24.080 ( -1.637 -1.810 -0.484) 2.489 24.203 ( -1.211 1.745 -0.876) 2.298 24.231 ( -0.961 -0.879 -1.031) 1.661 24.291 ( -1.127 1.869 -0.552) 2.251 24.314 ( 0.016 0.033 0.491) 0.492 24.410 ( -2.376 -0.030 0.426) 2.414 24.444 ( -2.535 -3.412 1.275) 4.438 24.809 ( 10.294 2.200 2.764) 10.883 24.844 ( 8.428 -1.308 2.189) 8.806 25.284 ( -1.627 1.589 0.560) 2.342 25.325 ( -3.252 -2.474 0.873) 4.178 25.452 ( -5.613 2.349 -2.579) 6.609 25.499 ( -5.905 -2.363 -3.900) 7.461 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -9.010 0.000 16.109) 18.457 0.934 ( -6.011 0.000 18.151) 19.121 1.008 ( 9.123 0.000 -11.205) 14.449 1.311 ( 4.475 0.000 -6.867) 8.197 1.442 ( -1.192 0.000 3.664) 3.854 1.566 ( -0.327 0.000 -3.975) 3.989 1.695 ( -2.305 0.000 12.615) 12.824 1.762 ( 1.857 0.000 0.598) 1.951 1.820 ( 2.726 0.000 7.661) 8.132 1.870 ( -3.870 0.000 0.765) 3.945 1.892 ( 1.424 0.000 -1.631) 2.165 1.965 ( 7.794 0.000 -4.199) 8.853 2.028 ( 1.982 0.000 13.217) 13.365 2.115 ( -1.467 0.000 7.501) 7.644 2.133 ( -0.852 0.000 -3.421) 3.525 2.415 ( -5.579 0.000 -2.054) 5.945 2.426 ( 5.214 0.000 1.754) 5.501 2.442 ( 4.054 0.000 -0.315) 4.066 2.459 ( -9.028 0.000 -0.880) 9.070 2.539 ( 0.188 0.000 0.912) 0.932 2.541 ( 0.268 0.000 -5.851) 5.857 2.637 ( 2.903 0.000 -9.649) 10.076 2.713 ( -0.240 0.000 0.093) 0.258 2.771 ( 1.729 0.000 -7.415) 7.614 2.825 ( -1.371 0.000 1.093) 1.753 2.861 ( 0.730 0.000 -2.668) 2.766 2.940 ( 1.818 0.000 -0.802) 1.987 2.970 ( -4.822 0.000 -6.080) 7.760 3.104 ( 2.121 0.000 6.307) 6.655 3.148 ( -4.400 0.000 1.981) 4.825 3.365 ( -1.587 0.000 -0.935) 1.842 3.375 ( -0.763 0.000 0.578) 0.957 3.444 ( -1.070 0.000 6.089) 6.183 3.497 ( -0.702 0.000 2.156) 2.267 3.504 ( -0.172 0.000 3.407) 3.411 3.579 ( 0.826 0.000 -4.977) 5.045 3.686 ( 3.573 0.000 6.528) 7.442 3.819 ( -3.762 0.000 -6.305) 7.342 3.890 ( 9.366 0.000 2.331) 9.652 3.904 ( -5.245 0.000 -0.251) 5.251 4.078 ( -0.785 0.000 3.856) 3.935 4.089 ( -4.653 0.000 3.846) 6.037 4.139 ( 2.676 0.000 0.309) 2.694 4.216 ( 2.757 0.000 -3.814) 4.706 4.225 ( 2.444 0.000 -0.144) 2.449 4.267 ( -1.044 0.000 0.334) 1.096 4.310 ( -0.343 0.000 0.726) 0.803 4.389 ( -0.170 0.000 -3.135) 3.139 4.489 ( 0.339 0.000 0.046) 0.342 4.518 ( 1.780 0.000 -4.497) 4.836 4.640 ( -4.286 0.000 0.137) 4.288 4.678 ( 4.544 0.000 -2.861) 5.370 4.961 ( -8.056 0.000 1.748) 8.243 5.024 ( 3.684 0.000 -4.021) 5.454 5.119 ( -2.685 0.000 1.374) 3.016 5.151 ( 3.442 0.000 -1.609) 3.799 5.290 ( -6.318 0.000 1.092) 6.412 5.331 ( 9.026 0.000 -1.491) 9.148 5.425 ( 2.352 0.000 -0.283) 2.369 5.426 ( -4.863 0.000 -0.569) 4.896 5.873 ( -2.382 0.000 -0.210) 2.391 5.885 ( 2.347 0.000 -1.298) 2.682 6.041 ( -1.159 0.000 1.102) 1.600 6.046 ( 2.059 0.000 0.634) 2.155 6.404 ( 0.802 0.000 1.650) 1.835 6.431 ( 1.100 0.000 -0.817) 1.370 6.677 ( 1.971 0.000 0.060) 1.972 6.684 ( -1.295 0.000 -0.825) 1.535 6.782 ( 0.968 0.000 5.542) 5.626 6.919 ( -0.495 0.000 -6.985) 7.002 7.222 ( -1.363 0.000 3.507) 3.762 7.276 ( -0.057 0.000 -1.257) 1.259 7.687 ( 2.220 0.000 0.056) 2.221 7.704 ( -1.426 0.000 -1.604) 2.146 7.853 ( -1.281 0.000 1.420) 1.912 7.919 ( 1.484 0.000 -4.835) 5.058 8.034 ( 1.711 0.000 1.219) 2.101 8.059 ( -3.231 0.000 -1.066) 3.403 8.514 ( -1.875 0.000 4.051) 4.464 8.571 ( 1.285 0.000 -1.404) 1.903 8.889 ( 1.437 0.000 2.054) 2.506 8.951 ( -0.678 0.000 -3.990) 4.047 9.146 ( -0.772 0.000 -0.172) 0.791 9.151 ( -0.052 0.000 -0.555) 0.558 9.401 ( 0.502 0.000 0.600) 0.782 9.412 ( -0.650 0.000 -0.407) 0.766 9.515 ( -1.678 0.000 1.954) 2.575 9.555 ( 1.974 0.000 -1.645) 2.570 9.754 ( 0.332 0.000 5.464) 5.474 9.864 ( -0.966 0.000 -4.749) 4.846 9.886 ( 1.456 0.000 3.688) 3.965 9.952 ( -1.251 0.000 -2.413) 2.717 11.774 ( -0.196 0.000 1.423) 1.436 11.816 ( 0.184 0.000 -2.450) 2.457 11.932 ( 1.111 0.000 0.621) 1.273 11.946 ( -1.424 0.000 -0.701) 1.587 12.066 ( 3.183 0.000 2.693) 4.169 12.113 ( -2.103 0.000 -1.419) 2.537 12.217 ( -4.218 0.000 0.190) 4.222 12.231 ( 1.628 0.000 -1.284) 2.073 12.874 ( -2.079 0.000 0.774) 2.218 12.895 ( 1.014 0.000 -1.083) 1.484 12.969 ( -0.981 0.000 3.072) 3.225 13.030 ( 3.551 0.000 -2.513) 4.350 13.038 ( 1.547 0.000 1.875) 2.431 13.072 ( -1.406 0.000 -1.206) 1.852 13.317 ( -1.193 0.000 2.891) 3.128 13.375 ( 1.003 0.000 -2.323) 2.530 13.618 ( 0.997 0.000 -0.191) 1.015 13.629 ( -0.193 0.000 -1.215) 1.230 13.813 ( 1.355 0.000 1.819) 2.268 13.837 ( -1.835 0.000 -0.218) 1.848 13.975 ( -4.550 0.000 3.980) 6.045 14.055 ( 4.684 0.000 -3.249) 5.701 14.295 ( 5.201 0.000 2.136) 5.622 14.323 ( -9.467 0.000 -0.253) 9.470 14.639 ( 3.860 0.000 0.777) 3.937 14.667 ( -1.342 0.000 -1.624) 2.107 14.866 ( 3.134 0.000 4.404) 5.405 14.979 ( -1.027 0.000 -5.910) 5.999 15.377 ( -1.278 0.000 0.653) 1.435 15.378 ( 1.570 0.000 0.421) 1.626 15.767 ( 2.170 0.000 3.869) 4.436 15.855 ( -2.409 0.000 -4.184) 4.827 22.033 ( 0.139 0.000 -0.016) 0.139 22.043 ( -0.161 0.000 -0.982) 0.995 22.484 ( -0.903 0.000 0.206) 0.926 22.486 ( 1.925 0.000 -0.211) 1.937 22.526 ( -1.552 0.000 2.322) 2.793 22.582 ( 1.992 0.000 -2.628) 3.298 22.826 ( 5.087 0.000 4.141) 6.559 22.913 ( -8.646 0.000 -3.763) 9.429 23.047 ( -1.754 0.000 7.913) 8.106 23.197 ( 0.062 0.000 -5.783) 5.783 23.338 ( 0.963 0.000 0.651) 1.162 23.359 ( -1.019 0.000 -1.194) 1.570 23.495 ( 5.416 0.000 4.948) 7.336 23.623 ( -5.982 0.000 -6.578) 8.891 23.670 ( -12.325 0.000 6.986) 14.167 23.815 ( 8.242 0.000 -6.036) 10.216 23.966 ( 3.244 0.000 0.866) 3.358 23.973 ( -0.482 0.000 0.338) 0.589 24.053 ( -0.615 0.000 2.064) 2.154 24.095 ( 0.068 0.000 -1.849) 1.850 24.164 ( 1.160 0.000 0.725) 1.368 24.182 ( -1.356 0.000 -1.133) 1.768 24.261 ( 2.146 0.000 1.099) 2.411 24.282 ( -3.640 0.000 -0.866) 3.742 24.480 ( 2.348 0.000 0.157) 2.354 24.503 ( -1.868 0.000 -1.595) 2.457 25.002 ( 1.441 0.000 5.275) 5.468 25.105 ( 2.753 0.000 -4.287) 5.095 25.239 ( 0.712 0.000 0.405) 0.819 25.257 ( -2.041 0.000 -1.260) 2.398 25.338 ( -4.422 0.000 0.139) 4.424 25.345 ( 6.220 0.000 -0.609) 6.249 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 7.926 0.000 8.969) 11.969 0.897 ( 1.732 0.000 15.574) 15.670 1.216 ( 10.890 0.000 -8.592) 13.872 1.394 ( 3.316 0.000 -8.438) 9.067 1.526 ( 8.173 0.000 3.748) 8.991 1.568 ( 0.803 0.000 -0.699) 1.064 1.685 ( -1.059 0.000 6.355) 6.443 1.791 ( 0.019 0.000 1.946) 1.946 1.801 ( 2.637 0.000 -3.735) 4.572 1.877 ( -2.668 0.000 0.556) 2.726 1.888 ( 0.658 0.000 1.922) 2.032 2.061 ( -1.559 0.000 13.985) 14.072 2.062 ( -1.216 0.000 -5.199) 5.339 2.084 ( 1.132 0.000 2.483) 2.729 2.135 ( 3.021 0.000 -3.781) 4.840 2.248 ( -9.807 0.000 -1.402) 9.907 2.261 ( -6.423 0.000 7.355) 9.765 2.412 ( -5.820 0.000 0.410) 5.835 2.449 ( -6.688 0.000 -0.402) 6.700 2.502 ( -3.447 0.000 -9.175) 9.801 2.550 ( -1.101 0.000 -1.961) 2.249 2.672 ( -0.877 0.000 -3.032) 3.156 2.694 ( 0.852 0.000 2.078) 2.246 2.774 ( 0.430 0.000 3.187) 3.216 2.800 ( 3.236 0.000 0.445) 3.266 2.876 ( 1.418 0.000 -11.661) 11.747 2.951 ( -2.637 0.000 -1.553) 3.060 3.094 ( 9.962 0.000 3.683) 10.621 3.130 ( -0.905 0.000 5.336) 5.412 3.143 ( 7.487 0.000 1.935) 7.733 3.292 ( -4.372 0.000 1.191) 4.532 3.318 ( -3.090 0.000 -6.173) 6.903 3.400 ( -3.678 0.000 3.240) 4.902 3.446 ( -3.627 0.000 6.879) 7.777 3.497 ( -1.258 0.000 2.786) 3.057 3.598 ( 0.215 0.000 -2.492) 2.502 3.747 ( 2.502 0.000 8.167) 8.541 3.777 ( -1.433 0.000 -11.846) 11.933 3.867 ( 3.459 0.000 -1.736) 3.870 4.026 ( -3.008 0.000 5.996) 6.708 4.040 ( -1.321 0.000 2.287) 2.641 4.045 ( 4.375 0.000 0.591) 4.415 4.172 ( 0.131 0.000 1.269) 1.276 4.231 ( -2.181 0.000 -2.160) 3.070 4.250 ( -0.087 0.000 -5.878) 5.879 4.264 ( 1.821 0.000 3.080) 3.579 4.303 ( -0.930 0.000 3.207) 3.339 4.417 ( 2.382 0.000 -2.431) 3.404 4.457 ( -7.954 0.000 -1.463) 8.087 4.513 ( 2.155 0.000 1.463) 2.605 4.593 ( -0.180 0.000 -2.073) 2.081 4.746 ( 2.087 0.000 -2.558) 3.301 4.828 ( -5.550 0.000 6.865) 8.828 5.063 ( -1.000 0.000 -1.755) 2.020 5.118 ( 2.798 0.000 -3.299) 4.325 5.205 ( -0.866 0.000 1.093) 1.394 5.240 ( 6.095 0.000 -2.026) 6.423 5.325 ( -4.443 0.000 -0.340) 4.456 5.437 ( -0.841 0.000 1.993) 2.163 5.488 ( 6.957 0.000 -3.460) 7.770 5.835 ( -1.513 0.000 -0.886) 1.754 5.922 ( 1.869 0.000 -0.619) 1.969 6.036 ( -0.027 0.000 1.339) 1.339 6.138 ( 6.181 0.000 -2.325) 6.604 6.401 ( -1.277 0.000 2.723) 3.007 6.457 ( 0.179 0.000 -6.437) 6.440 6.680 ( 1.309 0.000 -2.601) 2.911 6.712 ( 1.467 0.000 0.446) 1.534 6.805 ( 0.912 0.000 5.542) 5.617 6.919 ( 0.841 0.000 -7.196) 7.245 7.185 ( -2.487 0.000 3.622) 4.394 7.255 ( -1.895 0.000 0.148) 1.900 7.684 ( -0.259 0.000 -1.876) 1.894 7.728 ( 1.717 0.000 -0.137) 1.722 7.839 ( -0.037 0.000 0.992) 0.992 7.940 ( 0.839 0.000 -4.782) 4.855 8.019 ( -0.460 0.000 0.119) 0.475 8.065 ( 1.116 0.000 2.259) 2.519 8.479 ( -1.684 0.000 4.382) 4.694 8.588 ( 0.435 0.000 -1.227) 1.302 8.924 ( 1.887 0.000 2.274) 2.955 8.953 ( 1.181 0.000 -4.950) 5.088 9.136 ( -0.313 0.000 0.467) 0.563 9.145 ( -0.535 0.000 0.448) 0.698 9.399 ( -0.603 0.000 -0.467) 0.763 9.406 ( -0.202 0.000 0.747) 0.774 9.490 ( -0.582 0.000 0.292) 0.651 9.573 ( -0.065 0.000 -1.200) 1.202 9.768 ( 0.614 0.000 5.709) 5.742 9.852 ( 0.031 0.000 -3.825) 3.825 9.904 ( 0.050 0.000 3.550) 3.550 9.924 ( -1.269 0.000 -2.757) 3.035 11.771 ( -0.087 0.000 1.272) 1.275 11.815 ( -0.092 0.000 -2.213) 2.215 11.928 ( -0.391 0.000 -0.317) 0.504 11.962 ( 1.709 0.000 0.810) 1.891 12.060 ( -2.984 0.000 -2.152) 3.679 12.114 ( -1.745 0.000 0.862) 1.946 12.127 ( -1.420 0.000 4.552) 4.769 12.253 ( 0.638 0.000 -0.136) 0.652 12.840 ( -1.213 0.000 0.885) 1.501 12.901 ( -0.193 0.000 -0.246) 0.312 12.976 ( 1.092 0.000 1.816) 2.119 13.051 ( -0.491 0.000 -1.455) 1.536 13.078 ( 2.406 0.000 1.963) 3.105 13.126 ( 5.523 0.000 -4.407) 7.066 13.299 ( -0.752 0.000 2.732) 2.834 13.391 ( 0.612 0.000 -2.401) 2.478 13.637 ( 1.041 0.000 -1.492) 1.820 13.651 ( 2.443 0.000 -0.807) 2.573 13.799 ( -2.211 0.000 0.034) 2.212 13.829 ( -0.150 0.000 2.510) 2.515 13.890 ( -4.132 0.000 3.581) 5.468 14.073 ( -7.098 0.000 0.207) 7.101 14.194 ( 2.197 0.000 -5.761) 6.166 14.289 ( -2.307 0.000 8.685) 8.986 14.628 ( -2.964 0.000 -1.377) 3.268 14.715 ( 2.210 0.000 1.509) 2.676 14.992 ( 3.204 0.000 -4.020) 5.140 15.083 ( 14.924 0.000 -3.947) 15.437 15.372 ( 0.782 0.000 -0.454) 0.904 15.410 ( 1.776 0.000 0.695) 1.907 15.764 ( -6.587 0.000 -4.168) 7.795 15.766 ( -2.482 0.000 4.305) 4.969 22.033 ( -0.115 0.000 -0.059) 0.129 22.035 ( -0.581 0.000 -0.772) 0.966 22.469 ( -0.901 0.000 -0.835) 1.228 22.502 ( -0.743 0.000 2.192) 2.314 22.510 ( 0.293 0.000 -1.182) 1.217 22.615 ( -0.213 0.000 -0.404) 0.456 22.734 ( -5.909 0.000 -0.176) 5.912 22.904 ( 2.213 0.000 5.900) 6.301 23.034 ( -0.309 0.000 7.394) 7.400 23.163 ( -2.993 0.000 -3.088) 4.301 23.276 ( -5.990 0.000 1.184) 6.106 23.335 ( -1.201 0.000 -0.200) 1.218 23.522 ( -3.242 0.000 -6.657) 7.405 23.547 ( -0.843 0.000 6.639) 6.693 23.601 ( 3.727 0.000 5.170) 6.373 23.878 ( -2.975 0.000 -3.370) 4.495 24.012 ( 3.283 0.000 -0.357) 3.302 24.012 ( 1.653 0.000 -0.760) 1.819 24.062 ( 2.734 0.000 1.793) 3.270 24.099 ( 0.264 0.000 -1.695) 1.716 24.173 ( 0.933 0.000 -2.276) 2.460 24.189 ( 1.435 0.000 1.400) 2.005 24.234 ( -1.409 0.000 0.078) 1.411 24.315 ( 3.057 0.000 2.624) 4.029 24.421 ( -5.886 0.000 -1.738) 6.137 24.506 ( 0.797 0.000 -0.395) 0.890 24.953 ( -5.540 0.000 -0.326) 5.550 25.008 ( -7.593 0.000 -1.841) 7.813 25.265 ( 1.889 0.000 2.693) 3.290 25.277 ( 3.330 0.000 -2.557) 4.199 25.350 ( 4.619 0.000 1.150) 4.760 25.552 ( 9.880 0.000 -5.800) 11.456 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 15.064 0.000 -1.926) 15.187 1.000 ( 6.989 0.000 6.436) 9.501 1.347 ( 4.064 0.000 -5.415) 6.770 1.455 ( 3.136 0.000 -1.923) 3.679 1.493 ( -10.166 0.000 2.228) 10.408 1.592 ( -0.098 0.000 1.153) 1.157 1.735 ( 8.226 0.000 -0.831) 8.267 1.776 ( -6.604 0.000 3.122) 7.305 1.829 ( -3.902 0.000 -1.939) 4.357 1.862 ( -2.450 0.000 -5.242) 5.786 1.919 ( -5.760 0.000 0.525) 5.784 1.945 ( -2.209 0.000 -1.203) 2.515 1.984 ( 7.963 0.000 -2.126) 8.242 2.116 ( -4.771 0.000 -2.315) 5.303 2.149 ( 3.227 0.000 1.632) 3.617 2.166 ( 2.623 0.000 -0.693) 2.713 2.249 ( -6.285 0.000 6.457) 9.011 2.337 ( 5.430 0.000 12.847) 13.947 2.352 ( -4.631 0.000 -1.375) 4.831 2.432 ( -1.845 0.000 -2.262) 2.919 2.498 ( -3.647 0.000 -1.258) 3.858 2.584 ( -3.466 0.000 -2.775) 4.440 2.683 ( -0.792 0.000 0.262) 0.835 2.834 ( 0.371 0.000 -3.646) 3.665 2.877 ( 7.085 0.000 5.635) 9.053 2.925 ( 4.189 0.000 -3.859) 5.696 2.974 ( 3.661 0.000 -5.502) 6.609 3.055 ( -5.100 0.000 8.669) 10.058 3.140 ( -9.249 0.000 1.699) 9.403 3.232 ( -2.819 0.000 2.099) 3.515 3.271 ( 1.794 0.000 -5.046) 5.356 3.304 ( 0.482 0.000 -6.635) 6.652 3.397 ( 2.010 0.000 6.759) 7.051 3.400 ( 6.665 0.000 4.824) 8.228 3.493 ( 0.054 0.000 4.364) 4.364 3.609 ( 1.024 0.000 -2.909) 3.084 3.755 ( -3.219 0.000 4.580) 5.598 3.757 ( 0.594 0.000 -11.638) 11.653 3.943 ( -4.242 0.000 8.352) 9.368 3.979 ( 5.800 0.000 -2.064) 6.156 4.023 ( 0.301 0.000 -0.395) 0.497 4.102 ( -0.415 0.000 3.810) 3.833 4.153 ( -1.478 0.000 2.455) 2.866 4.156 ( -3.709 0.000 1.772) 4.110 4.241 ( -4.006 0.000 2.258) 4.599 4.256 ( -0.709 0.000 -3.621) 3.689 4.285 ( 0.665 0.000 -1.891) 2.005 4.361 ( -0.453 0.000 1.371) 1.444 4.473 ( 3.662 0.000 -1.390) 3.917 4.560 ( 2.218 0.000 1.958) 2.958 4.574 ( -1.750 0.000 1.985) 2.647 4.735 ( -2.967 0.000 -2.334) 3.775 4.771 ( -1.239 0.000 7.242) 7.347 5.012 ( -3.485 0.000 -6.167) 7.084 5.164 ( 3.369 0.000 -3.394) 4.782 5.259 ( -2.556 0.000 -2.021) 3.258 5.286 ( 6.517 0.000 1.311) 6.648 5.352 ( 5.120 0.000 -2.705) 5.790 5.414 ( -1.123 0.000 2.531) 2.768 5.563 ( -0.396 0.000 -1.206) 1.269 5.846 ( 3.792 0.000 -2.338) 4.455 5.969 ( 3.083 0.000 -0.314) 3.099 6.016 ( -2.316 0.000 4.194) 4.791 6.227 ( 1.844 0.000 -4.724) 5.071 6.358 ( -3.378 0.000 5.175) 6.180 6.430 ( -0.615 0.000 -8.352) 8.374 6.711 ( 1.483 0.000 -5.108) 5.319 6.720 ( -0.969 0.000 1.444) 1.739 6.816 ( -0.124 0.000 6.155) 6.156 6.939 ( 1.462 0.000 -7.110) 7.259 7.147 ( -1.166 0.000 2.870) 3.098 7.217 ( -1.871 0.000 -0.283) 1.893 7.699 ( 1.739 0.000 -1.213) 2.120 7.744 ( -0.109 0.000 -0.113) 0.157 7.853 ( 1.262 0.000 0.054) 1.263 7.940 ( -0.606 0.000 -4.221) 4.264 8.036 ( 1.874 0.000 0.030) 1.874 8.072 ( -0.494 0.000 2.293) 2.345 8.467 ( 0.321 0.000 4.428) 4.440 8.584 ( -0.756 0.000 -1.719) 1.878 8.952 ( 0.621 0.000 3.030) 3.093 8.988 ( 2.466 0.000 -5.221) 5.774 9.133 ( -0.079 0.000 0.741) 0.746 9.135 ( -0.329 0.000 0.627) 0.708 9.391 ( -0.335 0.000 -0.627) 0.711 9.391 ( -0.964 0.000 0.449) 1.064 9.498 ( 1.095 0.000 -0.803) 1.358 9.556 ( -1.480 0.000 -0.730) 1.650 9.777 ( -0.052 0.000 5.861) 5.861 9.858 ( 0.694 0.000 -3.323) 3.395 9.891 ( -1.483 0.000 3.283) 3.602 9.911 ( 0.173 0.000 -3.098) 3.103 11.774 ( 0.289 0.000 1.038) 1.078 11.812 ( -0.082 0.000 -1.810) 1.812 11.928 ( 0.292 0.000 0.235) 0.375 11.988 ( 0.488 0.000 -0.147) 0.510 12.009 ( -1.621 0.000 -1.704) 2.351 12.028 ( -3.936 0.000 3.547) 5.298 12.162 ( 2.047 0.000 2.730) 3.412 12.255 ( -0.411 0.000 -0.203) 0.459 12.831 ( 0.187 0.000 0.637) 0.664 12.888 ( -1.092 0.000 -0.799) 1.353 12.998 ( 0.934 0.000 1.473) 1.744 13.048 ( 0.132 0.000 -1.766) 1.771 13.127 ( 2.485 0.000 1.985) 3.181 13.197 ( 1.616 0.000 -2.066) 2.622 13.296 ( 0.370 0.000 2.681) 2.706 13.396 ( 0.139 0.000 -3.580) 3.582 13.668 ( 2.255 0.000 -1.391) 2.649 13.704 ( 2.956 0.000 -0.962) 3.109 13.749 ( -2.923 0.000 1.196) 3.158 13.799 ( -3.125 0.000 3.010) 4.339 13.847 ( -0.496 0.000 1.790) 1.858 13.943 ( -4.455 0.000 -1.822) 4.813 14.253 ( -2.539 0.000 10.501) 10.803 14.282 ( 5.607 0.000 -6.959) 8.937 14.600 ( 0.909 0.000 -3.594) 3.707 14.685 ( -4.611 0.000 2.097) 5.066 15.111 ( 8.515 0.000 0.358) 8.523 15.287 ( 4.817 0.000 -1.518) 5.051 15.398 ( 1.728 0.000 -1.163) 2.084 15.473 ( 6.279 0.000 -2.219) 6.660 15.619 ( -8.093 0.000 -4.113) 9.078 15.683 ( -6.210 0.000 4.036) 7.406 22.026 ( -0.240 0.000 -0.537) 0.588 22.029 ( -0.232 0.000 -0.238) 0.333 22.446 ( -1.053 0.000 -0.155) 1.064 22.483 ( -3.093 0.000 -0.091) 3.094 22.512 ( 1.574 0.000 0.431) 1.632 22.555 ( -2.275 0.000 3.452) 4.134 22.764 ( 5.184 0.000 -4.353) 6.770 22.887 ( -4.444 0.000 5.296) 6.914 23.044 ( 1.088 0.000 6.676) 6.764 23.125 ( -0.305 0.000 0.091) 0.318 23.194 ( -2.495 0.000 1.104) 2.728 23.282 ( -3.777 0.000 -2.280) 4.412 23.517 ( 2.456 0.000 -4.748) 5.346 23.543 ( -0.576 0.000 4.345) 4.383 23.647 ( 0.595 0.000 4.381) 4.421 23.803 ( -3.413 0.000 -4.779) 5.873 24.030 ( -0.170 0.000 2.460) 2.466 24.040 ( 1.629 0.000 -1.616) 2.295 24.100 ( 0.263 0.000 0.505) 0.570 24.102 ( 0.167 0.000 -1.395) 1.405 24.215 ( 1.383 0.000 -1.403) 1.970 24.218 ( 1.444 0.000 1.684) 2.218 24.230 ( 1.852 0.000 -0.488) 1.915 24.307 ( -4.687 0.000 -1.625) 4.961 24.376 ( 2.429 0.000 4.676) 5.270 24.523 ( 1.049 0.000 -2.644) 2.844 24.856 ( -3.817 0.000 -2.875) 4.779 24.873 ( -6.360 0.000 0.891) 6.422 25.296 ( 0.809 0.000 3.835) 3.919 25.351 ( 4.126 0.000 -5.030) 6.506 25.456 ( 5.465 0.000 3.272) 6.370 25.658 ( 1.914 0.000 -5.978) 6.277 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.355 0.000 -2.459) 2.807 1.080 ( -2.491 0.000 -0.289) 2.508 1.396 ( -0.450 0.000 -1.098) 1.187 1.410 ( 7.092 0.000 -2.140) 7.408 1.517 ( 2.235 0.000 1.725) 2.823 1.523 ( -4.284 0.000 0.525) 4.316 1.644 ( -4.116 0.000 5.545) 6.905 1.764 ( -2.251 0.000 -1.880) 2.933 1.794 ( -4.644 0.000 -2.859) 5.454 1.800 ( 5.059 0.000 -0.309) 5.069 1.900 ( 6.226 0.000 -0.930) 6.295 1.901 ( -4.545 0.000 -1.277) 4.721 2.084 ( -5.334 0.000 2.517) 5.898 2.115 ( -6.638 0.000 2.337) 7.037 2.120 ( -2.319 0.000 2.879) 3.697 2.146 ( -4.051 0.000 4.445) 6.014 2.278 ( 6.342 0.000 -1.517) 6.521 2.279 ( 12.231 0.000 -5.833) 13.551 2.423 ( 0.017 0.000 -2.718) 2.718 2.441 ( 0.021 0.000 -7.298) 7.298 2.504 ( 3.649 0.000 5.012) 6.199 2.581 ( 1.553 0.000 -1.610) 2.237 2.671 ( -0.962 0.000 4.787) 4.882 2.866 ( -9.497 0.000 3.864) 10.253 2.888 ( 0.255 0.000 -10.796) 10.799 2.921 ( 2.816 0.000 -2.836) 3.997 2.980 ( -3.449 0.000 11.002) 11.530 3.074 ( 5.895 0.000 7.172) 9.284 3.079 ( 5.822 0.000 1.268) 5.958 3.186 ( -0.238 0.000 1.600) 1.618 3.192 ( -7.074 0.000 -1.144) 7.166 3.319 ( 1.395 0.000 -10.807) 10.897 3.442 ( -5.606 0.000 6.639) 8.690 3.488 ( 2.902 0.000 2.338) 3.727 3.521 ( 3.242 0.000 7.757) 8.407 3.632 ( 1.327 0.000 -5.174) 5.342 3.668 ( -3.797 0.000 1.301) 4.014 3.785 ( 2.818 0.000 -8.463) 8.920 3.902 ( -0.077 0.000 6.385) 6.385 4.003 ( 0.759 0.000 -1.864) 2.012 4.013 ( -6.802 0.000 7.688) 10.265 4.103 ( 3.380 0.000 1.282) 3.615 4.144 ( 1.422 0.000 -0.083) 1.424 4.149 ( 0.407 0.000 1.227) 1.293 4.191 ( -1.467 0.000 2.365) 2.783 4.226 ( -0.942 0.000 1.002) 1.375 4.318 ( 1.536 0.000 -3.852) 4.147 4.351 ( -0.415 0.000 -4.129) 4.149 4.559 ( 1.199 0.000 2.478) 2.753 4.578 ( 5.725 0.000 3.121) 6.521 4.593 ( 1.233 0.000 -1.062) 1.628 4.653 ( -4.753 0.000 -3.544) 5.929 4.768 ( 0.776 0.000 8.619) 8.654 4.954 ( -1.896 0.000 -7.490) 7.726 5.215 ( -2.179 0.000 -2.581) 3.378 5.224 ( 2.787 0.000 -4.110) 4.966 5.341 ( -1.770 0.000 4.059) 4.428 5.421 ( 1.873 0.000 -3.325) 3.816 5.467 ( 6.684 0.000 -0.284) 6.690 5.487 ( -5.657 0.000 -1.436) 5.836 5.912 ( -7.028 0.000 2.479) 7.453 5.935 ( 3.475 0.000 -0.140) 3.478 6.067 ( 4.973 0.000 4.329) 6.593 6.195 ( -2.843 0.000 -7.740) 8.246 6.293 ( -3.105 0.000 6.419) 7.130 6.454 ( 2.145 0.000 -7.965) 8.249 6.682 ( -2.635 0.000 1.839) 3.213 6.732 ( 1.126 0.000 -2.967) 3.174 6.807 ( -1.190 0.000 6.789) 6.892 6.959 ( 0.894 0.000 -7.088) 7.145 7.152 ( 1.461 0.000 2.035) 2.506 7.193 ( -0.231 0.000 -1.762) 1.777 7.724 ( -1.906 0.000 0.078) 1.908 7.732 ( 1.418 0.000 -0.428) 1.481 7.877 ( 1.074 0.000 -0.100) 1.079 7.918 ( -1.286 0.000 -3.723) 3.939 8.053 ( -1.437 0.000 1.632) 2.174 8.076 ( 2.075 0.000 -0.240) 2.089 8.492 ( 1.715 0.000 4.233) 4.567 8.561 ( -1.329 0.000 -2.355) 2.704 8.943 ( -1.697 0.000 3.170) 3.596 9.025 ( 1.133 0.000 -4.369) 4.513 9.135 ( 0.550 0.000 0.004) 0.550 9.139 ( 0.626 0.000 0.005) 0.626 9.372 ( -0.707 0.000 0.776) 1.050 9.396 ( 0.740 0.000 -1.357) 1.546 9.519 ( 1.072 0.000 -0.122) 1.078 9.523 ( -1.773 0.000 -0.475) 1.835 9.772 ( -0.713 0.000 5.841) 5.884 9.860 ( -1.632 0.000 3.199) 3.591 9.874 ( 1.064 0.000 -3.142) 3.317 9.924 ( 1.190 0.000 -3.140) 3.358 11.780 ( 0.208 0.000 0.943) 0.966 11.808 ( -0.211 0.000 -1.489) 1.504 11.937 ( 0.638 0.000 0.951) 1.145 11.963 ( -1.603 0.000 -1.121) 1.956 11.982 ( -1.097 0.000 2.817) 3.023 12.024 ( 1.899 0.000 -0.869) 2.088 12.206 ( 2.444 0.000 2.202) 3.290 12.240 ( -0.991 0.000 -1.236) 1.584 12.844 ( 1.077 0.000 0.798) 1.340 12.864 ( -1.249 0.000 -1.195) 1.728 13.011 ( 0.384 0.000 1.266) 1.323 13.047 ( -0.338 0.000 -1.799) 1.831 13.159 ( 0.228 0.000 2.942) 2.951 13.188 ( -1.969 0.000 0.267) 1.987 13.312 ( 1.014 0.000 2.621) 2.811 13.388 ( -0.735 0.000 -4.306) 4.369 13.694 ( -2.626 0.000 0.799) 2.745 13.713 ( 1.850 0.000 -0.769) 2.004 13.738 ( -2.383 0.000 1.640) 2.893 13.767 ( 3.751 0.000 -0.401) 3.772 13.858 ( 1.196 0.000 0.985) 1.550 13.893 ( -1.170 0.000 -1.970) 2.291 14.196 ( -3.841 0.000 9.270) 10.034 14.385 ( 5.477 0.000 -7.702) 9.451 14.586 ( -5.033 0.000 1.942) 5.394 14.657 ( 4.688 0.000 -4.397) 6.427 15.259 ( 5.036 0.000 3.636) 6.212 15.282 ( -4.167 0.000 1.023) 4.291 15.428 ( 1.502 0.000 0.110) 1.506 15.468 ( -6.971 0.000 -3.451) 7.778 15.559 ( -5.623 0.000 2.026) 5.977 15.623 ( 8.242 0.000 -3.413) 8.920 22.025 ( -0.144 0.000 -0.392) 0.417 22.026 ( 0.283 0.000 -0.577) 0.643 22.434 ( -1.539 0.000 1.651) 2.257 22.440 ( 0.535 0.000 0.504) 0.735 22.537 ( -0.355 0.000 -0.028) 0.356 22.555 ( 2.915 0.000 -1.249) 3.171 22.776 ( -6.589 0.000 4.879) 8.199 22.865 ( 5.262 0.000 -2.830) 5.975 23.083 ( 2.353 0.000 5.590) 6.065 23.138 ( 1.350 0.000 0.648) 1.498 23.180 ( 1.023 0.000 0.314) 1.070 23.218 ( -2.364 0.000 -3.727) 4.413 23.516 ( -2.526 0.000 2.039) 3.246 23.580 ( 3.961 0.000 -3.712) 5.429 23.649 ( 0.220 0.000 4.516) 4.521 23.763 ( -0.620 0.000 -5.236) 5.272 24.015 ( -1.416 0.000 2.861) 3.193 24.071 ( 1.479 0.000 -2.193) 2.645 24.093 ( -0.720 0.000 0.207) 0.750 24.102 ( -0.078 0.000 -0.520) 0.525 24.234 ( 1.367 0.000 0.237) 1.387 24.235 ( -0.733 0.000 0.194) 0.758 24.245 ( -1.025 0.000 -0.575) 1.176 24.264 ( 1.264 0.000 -1.683) 2.105 24.420 ( 1.810 0.000 5.292) 5.593 24.527 ( -0.916 0.000 -4.928) 5.013 24.778 ( -3.392 0.000 3.125) 4.612 24.819 ( 0.165 0.000 -0.946) 0.961 25.297 ( -0.861 0.000 3.655) 3.755 25.411 ( 2.206 0.000 -7.082) 7.418 25.537 ( 2.432 0.000 4.470) 5.089 25.635 ( -3.620 0.000 -4.483) 5.762 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -6.922 0.000 9.211) 11.521 0.972 ( -5.870 0.000 -8.851) 10.621 1.306 ( -11.542 0.000 11.039) 15.971 1.472 ( -2.902 0.000 -14.767) 15.049 1.478 ( 5.867 0.000 1.429) 6.039 1.574 ( 0.978 0.000 4.581) 4.684 1.705 ( -0.038 0.000 -0.345) 0.347 1.731 ( -3.314 0.000 5.705) 6.598 1.813 ( 5.624 0.000 -0.272) 5.631 1.851 ( 5.035 0.000 -1.969) 5.407 1.881 ( -8.989 0.000 3.573) 9.673 1.961 ( -0.814 0.000 -2.379) 2.514 1.977 ( 9.703 0.000 -2.172) 9.943 1.999 ( -0.568 0.000 8.447) 8.466 2.123 ( 2.862 0.000 1.630) 3.293 2.158 ( -0.083 0.000 -0.188) 0.205 2.272 ( -12.247 0.000 9.648) 15.591 2.396 ( 4.016 0.000 -5.728) 6.996 2.416 ( 0.325 0.000 -2.532) 2.553 2.464 ( 4.253 0.000 -0.913) 4.349 2.569 ( 5.655 0.000 0.767) 5.707 2.614 ( 1.885 0.000 -1.452) 2.379 2.718 ( 5.028 0.000 -0.251) 5.034 2.794 ( -4.894 0.000 -13.831) 14.671 2.808 ( -0.741 0.000 2.711) 2.810 2.943 ( -1.088 0.000 7.379) 7.458 3.005 ( -5.430 0.000 -4.783) 7.237 3.076 ( 0.489 0.000 4.203) 4.232 3.109 ( 6.406 0.000 1.672) 6.621 3.175 ( 3.037 0.000 1.918) 3.593 3.272 ( -0.096 0.000 2.131) 2.133 3.342 ( 1.370 0.000 -9.445) 9.544 3.396 ( 5.587 0.000 5.106) 7.569 3.449 ( -5.763 0.000 -1.698) 6.008 3.517 ( -2.954 0.000 8.909) 9.386 3.619 ( -2.294 0.000 0.491) 2.346 3.636 ( -0.401 0.000 -7.314) 7.325 3.854 ( 4.032 0.000 -4.060) 5.722 3.875 ( -7.454 0.000 7.765) 10.764 3.955 ( 4.694 0.000 3.820) 6.052 4.026 ( 0.896 0.000 1.945) 2.142 4.111 ( -1.786 0.000 0.632) 1.894 4.148 ( -0.326 0.000 2.178) 2.202 4.183 ( 0.975 0.000 -0.005) 0.975 4.183 ( 0.733 0.000 0.134) 0.745 4.259 ( 3.776 0.000 1.636) 4.115 4.325 ( -0.307 0.000 -0.246) 0.393 4.363 ( 1.760 0.000 -5.082) 5.378 4.553 ( -3.770 0.000 -5.974) 7.064 4.556 ( -1.790 0.000 2.804) 3.326 4.613 ( -0.786 0.000 -1.143) 1.387 4.676 ( 2.995 0.000 2.331) 3.796 4.850 ( 7.850 0.000 8.816) 11.805 4.939 ( 0.778 0.000 -7.540) 7.580 5.166 ( -2.928 0.000 -3.077) 4.248 5.260 ( -0.997 0.000 1.042) 1.442 5.296 ( -0.120 0.000 -1.387) 1.393 5.341 ( -6.777 0.000 -3.378) 7.572 5.468 ( 1.178 0.000 -2.278) 2.564 5.543 ( -1.477 0.000 0.165) 1.486 5.799 ( -2.277 0.000 2.011) 3.038 5.945 ( -1.620 0.000 1.163) 1.994 6.119 ( -0.833 0.000 6.025) 6.082 6.150 ( -2.128 0.000 -7.884) 8.166 6.292 ( 3.277 0.000 3.865) 5.067 6.468 ( -0.413 0.000 -4.934) 4.952 6.643 ( -1.107 0.000 1.488) 1.855 6.742 ( -0.375 0.000 -0.881) 0.957 6.784 ( -1.360 0.000 6.836) 6.970 6.960 ( -0.397 0.000 -7.030) 7.041 7.193 ( 2.284 0.000 1.942) 2.999 7.212 ( 2.130 0.000 -2.823) 3.536 7.682 ( -2.138 0.000 0.129) 2.142 7.745 ( -0.092 0.000 -0.111) 0.144 7.888 ( -0.044 0.000 0.621) 0.622 7.897 ( -0.537 0.000 -3.870) 3.907 8.026 ( -1.308 0.000 0.842) 1.555 8.108 ( 1.157 0.000 -0.811) 1.413 8.524 ( 1.228 0.000 3.947) 4.134 8.541 ( -0.420 0.000 -2.550) 2.585 8.904 ( -2.144 0.000 2.566) 3.344 9.016 ( -1.544 0.000 -2.938) 3.320 9.150 ( 0.317 0.000 -0.575) 0.656 9.154 ( 0.999 0.000 -1.268) 1.615 9.370 ( 0.502 0.000 0.901) 1.032 9.414 ( 1.063 0.000 -1.383) 1.745 9.497 ( -0.599 0.000 -0.732) 0.946 9.535 ( 0.521 0.000 1.085) 1.204 9.760 ( -0.779 0.000 5.674) 5.728 9.842 ( -0.262 0.000 3.359) 3.369 9.889 ( 0.551 0.000 -4.127) 4.163 9.947 ( 1.280 0.000 -2.283) 2.617 11.780 ( -0.192 0.000 1.037) 1.054 11.805 ( 0.072 0.000 -1.682) 1.684 11.937 ( -1.031 0.000 -0.466) 1.131 11.957 ( 1.396 0.000 1.979) 2.422 11.980 ( 0.351 0.000 1.419) 1.462 12.071 ( 3.026 0.000 -0.623) 3.090 12.220 ( -0.888 0.000 -2.540) 2.691 12.251 ( 1.938 0.000 0.588) 2.025 12.848 ( -0.131 0.000 -0.985) 0.994 12.869 ( 1.392 0.000 0.992) 1.709 13.015 ( 0.003 0.000 1.194) 1.194 13.032 ( -1.079 0.000 -1.456) 1.813 13.125 ( -4.008 0.000 4.246) 5.838 13.143 ( -2.461 0.000 0.302) 2.479 13.331 ( 0.625 0.000 2.612) 2.686 13.370 ( -0.759 0.000 -3.946) 4.019 13.647 ( -2.238 0.000 0.420) 2.277 13.681 ( -2.351 0.000 0.905) 2.520 13.760 ( 1.571 0.000 0.000) 1.571 13.850 ( 3.573 0.000 -1.409) 3.841 13.893 ( 4.276 0.000 2.989) 5.217 13.901 ( 2.298 0.000 -2.907) 3.705 14.125 ( -4.045 0.000 7.333) 8.375 14.454 ( 0.671 0.000 -8.083) 8.111 14.540 ( 1.501 0.000 2.225) 2.684 14.739 ( 3.220 0.000 -2.891) 4.327 15.139 ( -10.324 0.000 -2.601) 10.646 15.223 ( -8.098 0.000 4.258) 9.150 15.376 ( -2.596 0.000 0.402) 2.627 15.437 ( -0.952 0.000 1.183) 1.518 15.567 ( 5.794 0.000 0.760) 5.844 15.762 ( 6.388 0.000 -2.719) 6.943 22.025 ( 0.112 0.000 -0.379) 0.395 22.034 ( 0.479 0.000 -0.709) 0.856 22.427 ( 0.554 0.000 1.519) 1.617 22.464 ( 1.688 0.000 0.969) 1.946 22.536 ( 0.423 0.000 -1.680) 1.733 22.610 ( 1.479 0.000 -0.830) 1.696 22.672 ( -2.811 0.000 3.383) 4.399 22.949 ( 3.462 0.000 0.385) 3.483 23.115 ( 0.478 0.000 2.151) 2.203 23.168 ( 1.208 0.000 -3.402) 3.610 23.204 ( 1.919 0.000 -1.324) 2.331 23.241 ( 5.054 0.000 0.648) 5.096 23.456 ( -3.510 0.000 0.568) 3.556 23.648 ( 3.116 0.000 -4.824) 5.742 23.689 ( 4.198 0.000 5.318) 6.775 23.759 ( -0.072 0.000 -5.475) 5.475 23.988 ( -1.287 0.000 2.911) 3.183 24.071 ( -1.421 0.000 -1.587) 2.131 24.077 ( -0.939 0.000 0.932) 1.323 24.113 ( 0.957 0.000 -0.723) 1.199 24.199 ( -3.001 0.000 -1.145) 3.212 24.237 ( -0.473 0.000 -0.321) 0.572 24.244 ( -0.805 0.000 -0.396) 0.897 24.301 ( 3.146 0.000 -0.879) 3.267 24.454 ( 1.758 0.000 4.344) 4.687 24.481 ( -3.267 0.000 -5.403) 6.314 24.767 ( 2.594 0.000 5.285) 5.888 24.855 ( 3.223 0.000 2.099) 3.846 25.271 ( -1.780 0.000 2.412) 2.997 25.414 ( -1.741 0.000 -7.492) 7.691 25.533 ( -6.426 0.000 -3.716) 7.423 25.543 ( -2.212 0.000 4.802) 5.287 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -6.907 0.000 14.377) 15.950 0.916 ( 0.943 0.000 -13.718) 13.750 1.093 ( -10.785 0.000 17.234) 20.330 1.351 ( -7.592 0.000 -11.789) 14.022 1.517 ( -5.744 0.000 2.252) 6.169 1.572 ( 0.956 0.000 -0.482) 1.070 1.704 ( 1.987 0.000 5.978) 6.299 1.729 ( 3.885 0.000 5.378) 6.634 1.779 ( 1.790 0.000 -5.434) 5.721 1.797 ( -4.139 0.000 12.882) 13.530 1.933 ( 0.225 0.000 -3.947) 3.953 1.968 ( 2.567 0.000 4.872) 5.507 2.003 ( -8.530 0.000 7.837) 11.583 2.102 ( 3.105 0.000 8.341) 8.900 2.111 ( 3.395 0.000 -1.967) 3.923 2.252 ( 11.235 0.000 -2.155) 11.439 2.283 ( 7.353 0.000 3.085) 7.974 2.469 ( 3.977 0.000 -2.495) 4.695 2.472 ( 5.524 0.000 -1.563) 5.740 2.512 ( -0.092 0.000 1.321) 1.324 2.611 ( -1.562 0.000 -1.296) 2.030 2.627 ( -0.588 0.000 -12.483) 12.497 2.723 ( -5.252 0.000 1.956) 5.605 2.751 ( 0.954 0.000 -7.364) 7.425 2.805 ( 2.677 0.000 1.208) 2.937 2.877 ( -4.471 0.000 -5.156) 6.825 2.946 ( 0.726 0.000 3.104) 3.187 3.104 ( -1.709 0.000 5.253) 5.524 3.145 ( -7.717 0.000 -2.803) 8.210 3.211 ( -2.047 0.000 -0.261) 2.063 3.307 ( 6.755 0.000 -6.252) 9.204 3.319 ( 3.949 0.000 1.015) 4.077 3.443 ( 4.012 0.000 -5.086) 6.478 3.453 ( -2.016 0.000 4.170) 4.632 3.523 ( 0.823 0.000 9.953) 9.987 3.603 ( 3.309 0.000 1.859) 3.795 3.612 ( -1.868 0.000 -5.814) 6.107 3.783 ( -0.721 0.000 6.281) 6.323 3.889 ( -1.194 0.000 -5.652) 5.777 4.001 ( -4.531 0.000 5.015) 6.759 4.047 ( 3.772 0.000 3.065) 4.860 4.085 ( 1.173 0.000 1.092) 1.603 4.159 ( 1.977 0.000 -3.418) 3.949 4.188 ( -2.315 0.000 0.876) 2.475 4.198 ( 1.053 0.000 1.902) 2.174 4.295 ( -2.435 0.000 4.870) 5.445 4.312 ( 0.756 0.000 -1.113) 1.346 4.391 ( 0.945 0.000 -3.685) 3.805 4.501 ( -1.635 0.000 -3.274) 3.659 4.513 ( -1.815 0.000 0.568) 1.902 4.607 ( 1.962 0.000 -2.096) 2.871 4.693 ( -1.173 0.000 1.494) 1.899 4.969 ( 2.488 0.000 -6.195) 6.676 5.032 ( 8.791 0.000 3.248) 9.372 5.101 ( -4.039 0.000 -2.154) 4.577 5.187 ( -4.431 0.000 3.032) 5.368 5.239 ( -1.934 0.000 -1.878) 2.695 5.354 ( 4.063 0.000 -3.613) 5.437 5.429 ( -7.691 0.000 1.752) 7.888 5.477 ( -0.510 0.000 -1.625) 1.703 5.831 ( 3.290 0.000 -0.542) 3.334 5.912 ( -1.619 0.000 0.324) 1.651 6.079 ( -2.654 0.000 3.630) 4.497 6.083 ( -4.308 0.000 -3.476) 5.535 6.367 ( 3.176 0.000 2.517) 4.052 6.442 ( -1.674 0.000 -1.009) 1.955 6.646 ( 1.106 0.000 0.652) 1.284 6.717 ( -1.864 0.000 -0.376) 1.901 6.771 ( -0.251 0.000 6.232) 6.237 6.940 ( -1.116 0.000 -6.855) 6.946 7.226 ( 0.802 0.000 2.634) 2.754 7.255 ( 2.167 0.000 -2.651) 3.424 7.661 ( 0.212 0.000 0.101) 0.235 7.731 ( -1.216 0.000 -0.516) 1.321 7.877 ( -1.092 0.000 1.222) 1.639 7.898 ( 0.834 0.000 -4.436) 4.514 8.014 ( 0.166 0.000 0.472) 0.501 8.108 ( -1.313 0.000 -1.694) 2.143 8.535 ( -0.404 0.000 3.813) 3.834 8.547 ( 1.104 0.000 -2.070) 2.346 8.877 ( -0.534 0.000 2.215) 2.278 8.979 ( -1.859 0.000 -3.034) 3.558 9.151 ( -0.003 0.000 -0.851) 0.851 9.159 ( -0.360 0.000 -0.958) 1.024 9.387 ( 0.941 0.000 0.684) 1.164 9.422 ( -0.255 0.000 -0.789) 0.829 9.512 ( 2.120 0.000 -1.579) 2.643 9.537 ( -0.559 0.000 2.013) 2.090 9.752 ( -0.358 0.000 5.445) 5.457 9.855 ( 1.289 0.000 3.591) 3.815 9.885 ( -0.691 0.000 -5.121) 5.167 9.963 ( 0.319 0.000 -1.980) 2.006 11.777 ( -0.220 0.000 1.283) 1.302 11.810 ( 0.464 0.000 -2.238) 2.285 11.924 ( -0.236 0.000 0.085) 0.251 11.970 ( -0.654 0.000 0.102) 0.662 12.006 ( 2.654 0.000 2.676) 3.768 12.122 ( 1.578 0.000 0.106) 1.582 12.209 ( 0.228 0.000 -3.253) 3.261 12.266 ( -0.771 0.000 -1.164) 1.396 12.864 ( 1.785 0.000 -1.281) 2.197 12.890 ( 0.475 0.000 0.659) 0.812 13.010 ( -0.785 0.000 -1.123) 1.370 13.013 ( -0.918 0.000 2.538) 2.699 13.035 ( -3.924 0.000 3.362) 5.167 13.103 ( -1.778 0.000 -0.378) 1.817 13.334 ( -0.527 0.000 2.854) 2.902 13.363 ( 0.294 0.000 -3.069) 3.083 13.616 ( -0.879 0.000 0.288) 0.925 13.645 ( -1.406 0.000 -0.287) 1.435 13.785 ( 1.345 0.000 1.148) 1.768 13.863 ( -0.724 0.000 -0.507) 0.884 13.968 ( 4.483 0.000 -3.479) 5.674 14.052 ( -3.679 0.000 6.245) 7.248 14.075 ( 12.869 0.000 1.518) 12.958 14.431 ( -2.174 0.000 -4.812) 5.281 14.592 ( 2.114 0.000 2.360) 3.168 14.744 ( -3.353 0.000 -1.152) 3.546 14.937 ( -8.980 0.000 0.143) 8.981 15.057 ( -7.441 0.000 -1.208) 7.538 15.357 ( 0.308 0.000 0.770) 0.829 15.410 ( -1.879 0.000 0.828) 2.053 15.687 ( 5.751 0.000 2.732) 6.367 15.851 ( 2.888 0.000 -3.217) 4.323 22.029 ( 0.276 0.000 -0.183) 0.331 22.041 ( 0.345 0.000 -0.866) 0.932 22.450 ( 1.659 0.000 0.847) 1.863 22.490 ( 0.628 0.000 0.759) 0.985 22.552 ( 1.336 0.000 -2.381) 2.730 22.565 ( -3.078 0.000 3.007) 4.303 22.725 ( 5.043 0.000 0.879) 5.119 22.987 ( 0.140 0.000 0.722) 0.735 23.098 ( -2.597 0.000 1.304) 2.906 23.184 ( 1.130 0.000 -6.134) 6.238 23.279 ( 4.741 0.000 0.459) 4.763 23.338 ( 3.700 0.000 -0.329) 3.714 23.415 ( 0.765 0.000 2.393) 2.512 23.701 ( 3.491 0.000 -6.874) 7.709 23.725 ( -3.447 0.000 -6.070) 6.980 23.794 ( 4.303 0.000 4.195) 6.009 23.977 ( -0.164 0.000 2.299) 2.305 23.991 ( -7.833 0.000 0.131) 7.834 24.063 ( -0.587 0.000 1.678) 1.778 24.107 ( -1.432 0.000 -2.044) 2.496 24.150 ( -0.121 0.000 0.140) 0.185 24.215 ( -1.878 0.000 -0.981) 2.118 24.237 ( 0.536 0.000 -0.035) 0.537 24.346 ( -0.921 0.000 0.046) 0.922 24.433 ( 0.659 0.000 -3.321) 3.386 24.494 ( 2.003 0.000 1.230) 2.351 24.901 ( 11.310 0.000 4.748) 12.266 24.932 ( 4.393 0.000 4.685) 6.422 25.242 ( -1.098 0.000 0.764) 1.338 25.337 ( -5.303 0.000 -3.623) 6.423 25.405 ( -6.610 0.000 -4.524) 8.010 25.459 ( -6.511 0.000 3.306) 7.302 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -6.815 12.046 12.049) 18.350 1.034 ( 0.432 7.897 10.287) 12.976 1.076 ( 6.183 7.052 -5.839) 11.047 1.354 ( 1.341 2.639 -8.641) 9.134 1.446 ( -0.174 0.047 6.333) 6.335 1.597 ( -0.302 2.477 -4.292) 4.964 1.709 ( 1.701 -1.505 3.324) 4.026 1.738 ( -1.700 -1.674 3.560) 4.286 1.789 ( 2.203 -2.297 0.576) 3.234 1.812 ( 0.472 -5.928 -1.903) 6.244 1.908 ( -0.160 -0.825 4.287) 4.369 1.962 ( 2.516 3.335 2.585) 4.913 2.071 ( -2.364 1.513 3.179) 4.241 2.080 ( 2.586 -1.367 -2.216) 3.669 2.147 ( 0.753 1.644 9.219) 9.395 2.319 ( -3.332 -7.545 0.279) 8.253 2.332 ( 4.858 -6.952 1.675) 8.645 2.384 ( 0.645 -3.386 -1.196) 3.648 2.426 ( -2.972 -1.560 0.777) 3.445 2.536 ( -2.509 1.062 -0.474) 2.765 2.611 ( -4.995 4.103 -1.648) 6.671 2.674 ( 3.298 2.037 -3.952) 5.536 2.698 ( 0.330 -0.705 -0.724) 1.063 2.771 ( 2.748 0.073 -5.486) 6.136 2.832 ( -2.349 0.654 1.221) 2.727 2.874 ( 0.600 2.450 -4.027) 4.752 3.000 ( 2.599 0.890 2.096) 3.455 3.046 ( -3.958 4.057 -4.498) 7.235 3.066 ( 1.198 2.130 4.042) 4.724 3.174 ( -0.418 1.499 -5.037) 5.272 3.374 ( -0.935 0.401 9.349) 9.404 3.407 ( 1.144 1.745 1.711) 2.698 3.474 ( -1.949 2.693 -0.241) 3.333 3.497 ( -3.103 0.784 -1.875) 3.709 3.561 ( -3.460 2.780 2.517) 5.102 3.632 ( 3.167 5.948 2.217) 7.094 3.692 ( 2.310 0.693 1.999) 3.132 3.848 ( -2.328 1.307 -6.157) 6.711 3.884 ( 6.325 0.650 3.011) 7.035 3.925 ( -2.898 1.026 -0.699) 3.153 4.070 ( -1.312 0.029 0.370) 1.363 4.129 ( -2.358 -2.220 -0.131) 3.241 4.142 ( 1.455 0.001 2.649) 3.022 4.152 ( 0.385 -1.730 0.195) 1.783 4.237 ( 0.991 -3.242 2.136) 4.007 4.238 ( 0.013 1.644 5.277) 5.527 4.327 ( -0.861 -1.093 -5.798) 5.963 4.360 ( 2.298 0.833 -4.578) 5.189 4.439 ( -1.429 -5.045 -1.082) 5.354 4.461 ( 1.457 -2.176 -0.878) 2.762 4.653 ( -2.802 0.463 -0.079) 2.841 4.692 ( 3.567 1.421 -2.927) 4.828 4.876 ( -5.109 -7.446 3.772) 9.787 4.955 ( 1.089 -5.847 -3.311) 6.807 5.114 ( -1.737 1.065 -0.514) 2.101 5.132 ( 3.679 -0.451 -2.205) 4.313 5.278 ( 1.577 0.129 0.459) 1.647 5.316 ( -0.467 -1.727 -2.826) 3.345 5.482 ( -2.515 3.222 2.319) 4.699 5.516 ( 2.767 4.913 -1.108) 5.746 5.842 ( -1.195 -1.750 0.449) 2.167 5.883 ( -0.016 -0.861 -3.056) 3.175 6.038 ( 0.496 -0.312 1.125) 1.268 6.042 ( 0.618 -0.184 0.871) 1.084 6.433 ( 0.476 2.733 1.532) 3.169 6.456 ( 0.682 2.623 -0.559) 2.767 6.659 ( -0.753 -1.951 0.895) 2.275 6.692 ( 1.712 0.091 -2.417) 2.963 6.828 ( 0.289 4.231 3.588) 5.555 6.935 ( -0.392 1.761 -5.894) 6.164 7.174 ( -1.080 -4.547 2.938) 5.520 7.220 ( -0.001 -5.071 -1.065) 5.182 7.696 ( 1.485 0.830 0.223) 1.716 7.714 ( -0.654 0.854 -1.608) 1.935 7.856 ( -1.315 0.365 1.699) 2.180 7.922 ( 1.430 -0.097 -4.451) 4.676 8.035 ( 1.171 0.204 0.745) 1.403 8.049 ( -2.400 -0.643 -0.428) 2.521 8.463 ( -1.443 -4.270 3.435) 5.667 8.512 ( 1.104 -4.973 -1.294) 5.255 8.907 ( 1.114 1.787 1.977) 2.888 8.967 ( -0.648 1.336 -3.786) 4.066 9.116 ( 0.245 -2.358 0.374) 2.400 9.131 ( -0.778 -1.842 -1.079) 2.272 9.425 ( -0.352 1.742 0.734) 1.923 9.437 ( 0.262 1.892 -0.372) 1.946 9.506 ( -1.683 -0.754 2.109) 2.801 9.548 ( 1.817 -0.710 -1.716) 2.598 9.762 ( 0.484 0.687 4.252) 4.334 9.837 ( 0.244 -1.540 -1.486) 2.154 9.913 ( 0.269 1.544 0.654) 1.698 9.951 ( -1.044 -0.055 -1.791) 2.073 11.783 ( 0.046 0.814 0.938) 1.243 11.818 ( 0.030 0.070 -2.209) 2.210 11.945 ( 1.180 1.261 0.400) 1.773 11.955 ( -1.184 0.899 -0.492) 1.566 12.076 ( 2.375 0.803 2.305) 3.406 12.118 ( -1.601 0.258 -1.314) 2.087 12.205 ( -3.191 -0.684 0.721) 3.342 12.232 ( 1.082 -0.290 -2.046) 2.333 12.881 ( -1.550 0.462 0.577) 1.717 12.893 ( 0.458 -0.372 -0.235) 0.635 12.965 ( -1.160 0.121 2.116) 2.416 13.006 ( 3.148 -1.625 -0.828) 3.638 13.029 ( 1.261 -1.165 1.270) 2.136 13.060 ( -1.032 -1.160 -1.195) 1.959 13.339 ( -0.817 1.909 2.058) 2.924 13.381 ( 0.820 0.641 -1.733) 2.022 13.616 ( 0.859 -0.250 -0.015) 0.894 13.628 ( -0.067 -0.329 -1.109) 1.159 13.815 ( 1.086 0.193 1.575) 1.923 13.838 ( -1.843 -0.119 -0.430) 1.896 13.972 ( -3.528 0.052 3.821) 5.201 14.049 ( 3.863 -0.245 -3.191) 5.016 14.185 ( 4.433 -6.114 6.234) 9.792 14.272 ( -6.104 -4.650 -2.184) 7.978 14.694 ( -2.731 3.701 2.257) 5.124 14.750 ( 4.132 4.698 -2.611) 6.779 14.901 ( -1.075 4.267 5.747) 7.238 15.059 ( 1.755 5.767 -9.103) 10.918 15.386 ( -0.827 0.964 0.786) 1.494 15.391 ( 0.924 1.140 0.323) 1.503 15.740 ( 1.294 -2.398 3.526) 4.456 15.820 ( -1.536 -3.318 -3.608) 5.137 22.088 ( -0.274 4.876 0.289) 4.892 22.115 ( 0.500 5.982 -2.277) 6.420 22.470 ( 0.939 -1.613 1.269) 2.257 22.483 ( -0.690 -0.782 0.150) 1.054 22.561 ( -0.709 3.563 0.612) 3.684 22.593 ( 1.817 1.505 -2.005) 3.096 22.797 ( 4.526 -2.589 4.286) 6.749 22.890 ( -7.580 -2.563 -3.962) 8.929 23.075 ( -2.221 2.585 6.742) 7.554 23.205 ( -0.246 0.579 -4.741) 4.783 23.316 ( -0.615 -1.787 1.295) 2.291 23.349 ( 0.335 -1.004 -1.600) 1.919 23.502 ( 4.319 0.678 4.322) 6.148 23.607 ( -4.531 -1.529 -5.049) 6.954 23.692 ( -7.099 2.201 5.497) 9.244 23.819 ( 5.098 0.717 -5.845) 7.789 23.935 ( 2.249 -2.672 1.455) 3.783 23.965 ( 0.071 -1.510 -1.228) 1.948 24.043 ( 0.033 -0.642 2.026) 2.126 24.082 ( -0.245 -1.258 -1.532) 1.998 24.174 ( 0.866 1.024 0.730) 1.527 24.191 ( -1.382 0.830 -0.932) 1.862 24.268 ( 2.382 0.445 1.163) 2.687 24.290 ( -2.997 0.584 -0.847) 3.169 24.432 ( 1.841 -3.188 1.197) 3.871 24.465 ( -2.158 -3.414 -1.858) 4.445 25.007 ( 1.416 0.447 4.413) 4.656 25.077 ( 3.008 -2.015 -1.536) 3.933 25.232 ( -0.579 -0.551 -0.451) 0.918 25.248 ( -2.358 -0.899 -1.682) 3.033 25.361 ( 1.006 1.816 -0.302) 2.098 25.366 ( 1.145 1.423 -0.729) 1.967 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 7.184 13.059 5.366) 15.841 1.061 ( 3.210 11.856 12.048) 17.205 1.256 ( 9.490 3.951 -7.868) 12.945 1.376 ( 0.929 -1.056 -8.513) 8.628 1.518 ( 5.850 -2.352 3.536) 7.229 1.584 ( -0.688 1.664 -1.865) 2.592 1.696 ( -1.328 3.392 1.865) 4.092 1.750 ( -0.413 -4.190 -2.578) 4.937 1.786 ( 1.153 -0.564 1.890) 2.284 1.841 ( 2.062 -5.465 -3.807) 6.972 1.921 ( 1.426 0.177 3.974) 4.226 1.990 ( -2.699 -0.141 6.217) 6.780 2.060 ( 1.161 -0.731 -0.503) 1.461 2.122 ( 0.036 2.571 -0.325) 2.591 2.161 ( -0.029 -1.960 -2.319) 3.036 2.198 ( -7.696 -1.875 -0.484) 7.936 2.261 ( -1.903 0.670 6.282) 6.598 2.317 ( -5.226 -3.676 2.399) 6.825 2.465 ( -3.535 1.253 0.004) 3.751 2.531 ( -1.180 0.883 -2.405) 2.821 2.551 ( 4.164 -6.237 -0.633) 7.527 2.674 ( -2.086 0.352 -1.459) 2.570 2.712 ( -7.037 3.823 -0.564) 8.028 2.725 ( 1.449 -0.449 2.532) 2.951 2.811 ( 1.461 0.376 3.750) 4.042 2.903 ( 2.032 2.008 -5.553) 6.245 3.028 ( -0.519 4.553 -0.536) 4.613 3.065 ( 5.246 -1.691 2.179) 5.927 3.143 ( 3.007 2.180 -3.743) 5.273 3.189 ( 0.787 1.367 -1.977) 2.529 3.295 ( -1.840 5.045 6.468) 8.406 3.383 ( -1.979 0.901 3.043) 3.741 3.411 ( -5.115 3.094 -6.771) 9.033 3.469 ( -2.589 1.629 7.611) 8.202 3.529 ( 0.569 2.639 3.269) 4.239 3.642 ( -1.878 4.569 -0.877) 5.017 3.724 ( 1.494 -0.989 4.043) 4.423 3.831 ( 0.631 2.191 -5.669) 6.111 3.836 ( -1.748 -1.825 -2.313) 3.426 4.020 ( -1.824 -2.091 1.007) 2.952 4.030 ( 3.945 -0.719 -0.041) 4.010 4.082 ( -1.101 4.606 4.870) 6.793 4.165 ( -0.377 -1.889 2.988) 3.555 4.177 ( -0.189 -2.295 -2.789) 3.617 4.242 ( -0.168 -3.519 3.372) 4.877 4.256 ( 1.511 -2.227 3.457) 4.382 4.291 ( -1.470 0.340 -4.896) 5.123 4.385 ( -3.558 -5.046 0.335) 6.183 4.441 ( 2.208 1.183 -4.357) 5.026 4.503 ( 3.391 -1.007 -0.274) 3.548 4.581 ( -3.135 1.310 0.414) 3.423 4.722 ( -4.526 -4.479 3.147) 7.103 4.757 ( -1.015 -3.395 0.166) 3.547 4.962 ( -2.183 -7.667 -2.240) 8.281 5.138 ( 4.069 2.030 -3.439) 5.701 5.218 ( 4.363 2.519 -0.951) 5.127 5.289 ( 2.379 1.170 -1.567) 3.080 5.345 ( -0.808 -1.088 -0.925) 1.641 5.449 ( 1.943 4.514 -0.225) 4.919 5.556 ( 1.233 3.624 -0.550) 3.868 5.812 ( -1.242 -1.726 0.135) 2.131 5.903 ( 2.049 -1.875 -0.846) 2.903 6.039 ( -0.036 0.372 0.822) 0.903 6.121 ( 5.461 -1.577 -1.930) 6.003 6.420 ( -1.875 1.953 2.308) 3.557 6.469 ( -0.320 1.582 -4.165) 4.467 6.653 ( 0.652 -1.880 -0.297) 2.011 6.713 ( 0.588 -1.144 -2.177) 2.529 6.842 ( 0.758 3.616 3.979) 5.430 6.939 ( 1.004 2.086 -5.887) 6.326 7.144 ( -1.999 -3.929 3.059) 5.366 7.206 ( -1.204 -4.314 -0.186) 4.483 7.696 ( 0.057 1.163 -1.636) 2.008 7.736 ( 1.587 0.626 -0.700) 1.844 7.843 ( 0.005 0.438 1.457) 1.522 7.943 ( 0.755 -0.153 -4.313) 4.381 8.025 ( 0.128 0.670 0.295) 0.743 8.061 ( 1.204 -0.242 1.667) 2.071 8.436 ( -1.262 -3.562 3.707) 5.293 8.530 ( 0.629 -5.086 -1.239) 5.272 8.934 ( 1.386 1.134 1.943) 2.643 8.967 ( 0.999 1.185 -4.129) 4.410 9.114 ( -0.194 -1.811 -0.021) 1.822 9.127 ( -0.068 -1.672 0.404) 1.722 9.404 ( -1.161 0.995 0.468) 1.599 9.449 ( 0.085 2.818 0.148) 2.823 9.476 ( -0.899 -1.151 0.790) 1.660 9.565 ( -0.052 -0.861 -1.240) 1.510 9.775 ( 0.556 0.641 4.029) 4.118 9.840 ( 0.274 -1.055 -2.340) 2.582 9.911 ( -0.795 0.626 1.366) 1.700 9.928 ( -1.056 0.270 -1.313) 1.707 11.787 ( 0.300 1.123 0.666) 1.340 11.817 ( -0.019 0.176 -1.970) 1.978 11.930 ( -0.923 0.562 -0.158) 1.092 11.976 ( 1.330 0.957 0.270) 1.661 12.074 ( -2.666 0.919 -1.501) 3.194 12.113 ( 0.078 -0.098 0.828) 0.837 12.129 ( -2.849 0.598 3.700) 4.708 12.248 ( 0.370 -0.688 -0.787) 1.109 12.846 ( -1.542 0.579 0.885) 1.870 12.895 ( -0.813 -0.286 0.071) 0.865 12.949 ( 0.573 -2.461 0.972) 2.707 13.012 ( -0.625 -2.885 0.094) 2.953 13.095 ( 3.166 0.899 0.542) 3.335 13.119 ( 5.711 -0.486 -2.393) 6.212 13.327 ( -0.490 2.398 1.633) 2.942 13.396 ( 0.661 0.478 -1.925) 2.091 13.636 ( 0.976 -0.251 -1.215) 1.579 13.645 ( 2.054 -0.648 -0.678) 2.258 13.792 ( -2.584 -0.590 0.363) 2.675 13.826 ( -0.831 -0.496 2.172) 2.377 13.911 ( -2.442 2.496 2.905) 4.542 14.065 ( -4.695 0.136 -0.299) 4.707 14.172 ( 2.660 -2.251 -4.206) 5.462 14.254 ( 0.028 -3.374 7.016) 7.785 14.642 ( -1.715 2.707 -0.524) 3.247 14.826 ( -3.171 7.148 2.001) 8.071 14.924 ( 8.965 -2.100 -1.902) 9.402 15.179 ( 8.870 5.291 -5.390) 11.650 15.373 ( 0.221 0.149 -0.477) 0.546 15.412 ( 0.987 0.183 0.629) 1.185 15.697 ( -5.641 -3.822 1.010) 6.888 15.772 ( -3.230 -1.566 -0.740) 3.665 22.079 ( -0.626 4.534 0.125) 4.578 22.110 ( -0.763 5.963 -2.088) 6.364 22.460 ( -0.878 -1.136 -0.587) 1.551 22.488 ( -0.350 -1.135 2.304) 2.592 22.548 ( -0.376 3.336 -1.020) 3.508 22.625 ( -0.131 1.146 -1.263) 1.711 22.725 ( -5.670 -1.032 -0.352) 5.774 22.864 ( 1.467 -3.712 5.655) 6.922 23.055 ( -0.402 1.866 6.915) 7.174 23.162 ( -3.201 -0.372 -0.601) 3.278 23.274 ( -3.182 0.344 -0.494) 3.238 23.342 ( -1.634 0.221 -0.494) 1.722 23.528 ( -2.394 0.612 -5.428) 5.964 23.562 ( 0.122 0.792 4.067) 4.145 23.611 ( 0.876 1.810 4.243) 4.696 23.865 ( -3.155 -1.536 -2.508) 4.313 23.986 ( 1.778 -1.953 -1.230) 2.913 23.996 ( 4.744 -1.610 -0.706) 5.059 24.063 ( 2.212 -0.211 1.015) 2.443 24.082 ( 0.290 -1.373 -1.217) 1.857 24.177 ( 0.100 0.531 -1.424) 1.523 24.192 ( 0.660 0.362 1.170) 1.392 24.252 ( -0.627 1.446 -0.435) 1.635 24.321 ( 2.566 0.250 1.855) 3.176 24.401 ( -3.526 -1.358 -0.613) 3.828 24.468 ( 1.617 -3.211 0.555) 3.638 24.939 ( -6.775 -0.770 -0.248) 6.823 24.998 ( -7.487 -1.250 -1.703) 7.779 25.261 ( 2.212 -0.204 1.782) 2.848 25.287 ( 5.126 0.202 -0.022) 5.130 25.365 ( 3.032 1.810 -0.559) 3.575 25.529 ( 8.446 -2.094 -4.561) 9.825 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 11.443 8.802 -1.505) 14.515 1.152 ( 4.470 11.340 4.007) 12.831 1.351 ( 1.476 0.763 -6.875) 7.073 1.383 ( 0.171 -5.476 -3.616) 6.564 1.538 ( -5.466 2.234 -2.833) 6.549 1.603 ( -2.949 -2.014 3.007) 4.669 1.651 ( 3.835 -1.125 3.630) 5.399 1.729 ( -0.810 -7.227 -4.218) 8.407 1.787 ( -7.232 0.823 0.595) 7.303 1.889 ( 2.650 0.562 -0.385) 2.736 1.907 ( -2.438 0.334 2.161) 3.275 1.966 ( 2.943 1.686 -0.704) 3.464 2.033 ( -0.329 2.768 1.605) 3.216 2.086 ( 1.258 -2.570 0.779) 2.966 2.155 ( -1.477 2.177 -1.281) 2.926 2.201 ( 3.028 1.521 -6.084) 6.964 2.267 ( 0.980 -4.486 -6.518) 7.973 2.303 ( 0.439 3.267 10.448) 10.955 2.420 ( 1.769 2.387 3.434) 4.541 2.451 ( -6.698 2.549 1.130) 7.255 2.525 ( -4.981 1.096 -1.066) 5.211 2.588 ( -2.373 0.458 0.382) 2.446 2.674 ( 1.017 0.182 2.253) 2.479 2.803 ( 3.794 -1.752 -0.527) 4.212 2.866 ( 4.012 -0.724 4.704) 6.225 2.955 ( 4.560 1.727 0.843) 4.948 3.000 ( -1.232 1.724 -0.772) 2.255 3.080 ( -6.832 1.286 -4.063) 8.052 3.114 ( -2.732 0.924 4.469) 5.319 3.211 ( -2.294 -1.192 0.014) 2.585 3.323 ( 3.971 2.494 -0.616) 4.730 3.347 ( 1.004 4.376 -8.137) 9.294 3.354 ( -2.757 0.923 3.611) 4.636 3.465 ( 2.499 0.180 4.297) 4.974 3.530 ( 0.478 5.102 8.104) 9.588 3.642 ( 1.508 3.053 -2.289) 4.103 3.734 ( -0.909 -0.152 2.076) 2.272 3.799 ( -1.262 1.401 -4.073) 4.488 3.884 ( 2.543 -5.174 -2.187) 6.166 3.978 ( -3.192 -2.474 2.425) 4.710 4.022 ( -0.541 2.367 2.154) 3.246 4.123 ( -0.310 0.742 2.575) 2.698 4.142 ( -0.366 -0.625 -2.172) 2.290 4.147 ( -0.952 -1.081 4.673) 4.890 4.219 ( -1.317 -2.456 -1.423) 3.129 4.247 ( -2.287 -0.129 3.795) 4.432 4.289 ( -2.190 0.188 1.956) 2.943 4.343 ( 2.314 -1.868 -2.882) 4.141 4.456 ( 1.109 -2.196 -0.817) 2.592 4.546 ( -0.874 -1.869 3.406) 3.982 4.564 ( 1.815 0.564 -0.535) 1.974 4.655 ( -1.408 -5.987 1.375) 6.302 4.735 ( -2.530 -2.685 1.864) 4.133 4.909 ( -2.346 -8.070 -7.681) 11.385 5.203 ( 1.863 3.017 -0.810) 3.638 5.287 ( 0.539 0.659 -1.873) 2.057 5.307 ( 3.538 2.497 -0.166) 4.334 5.394 ( 5.054 2.870 -3.266) 6.667 5.470 ( -0.326 4.877 1.179) 5.028 5.573 ( -1.296 0.925 -0.736) 1.754 5.830 ( 4.380 -0.890 -1.516) 4.720 5.968 ( 4.747 -0.839 1.390) 5.018 6.014 ( -3.142 0.343 1.850) 3.662 6.203 ( 2.278 -2.492 -4.484) 5.613 6.367 ( -3.672 1.075 4.303) 5.758 6.431 ( -2.056 0.373 -5.916) 6.274 6.681 ( 1.787 -2.085 -2.548) 3.747 6.708 ( -1.090 -1.578 -0.645) 2.023 6.850 ( -0.251 3.143 4.877) 5.808 6.958 ( 1.181 1.931 -6.056) 6.466 7.115 ( -0.881 -3.230 2.589) 4.233 7.181 ( -1.263 -3.273 -0.807) 3.600 7.713 ( 1.624 1.290 -1.402) 2.503 7.752 ( 0.010 0.558 -0.607) 0.825 7.857 ( 1.248 0.564 0.687) 1.532 7.944 ( -0.405 0.127 -3.767) 3.791 8.045 ( 1.643 0.859 0.239) 1.869 8.074 ( -0.034 0.214 1.679) 1.693 8.428 ( 0.323 -3.332 3.950) 5.178 8.531 ( -0.474 -4.856 -1.649) 5.150 8.956 ( 0.547 0.588 2.607) 2.728 8.995 ( 1.964 0.573 -4.339) 4.797 9.114 ( 0.063 -1.519 0.183) 1.532 9.120 ( -0.474 -1.335 0.598) 1.538 9.390 ( -0.284 0.936 0.607) 1.151 9.434 ( -1.012 2.452 -0.133) 2.656 9.482 ( 0.970 -1.229 -0.289) 1.592 9.548 ( -1.464 -0.816 -0.850) 1.880 9.782 ( -0.131 0.481 4.430) 4.458 9.845 ( 0.196 -1.160 -1.576) 1.966 9.893 ( -0.846 0.297 0.782) 1.190 9.912 ( -0.354 0.034 -1.735) 1.771 11.794 ( 0.379 1.569 0.481) 1.684 11.818 ( 0.299 0.714 -1.653) 1.825 11.921 ( -0.011 -0.455 0.380) 0.593 11.981 ( -1.321 -0.853 -0.022) 1.573 12.029 ( -1.561 1.421 1.271) 2.464 12.057 ( -2.171 3.055 -0.320) 3.761 12.151 ( 1.654 -1.173 2.918) 3.553 12.245 ( -0.520 -1.065 -0.852) 1.460 12.829 ( -0.261 -0.088 0.685) 0.738 12.871 ( -1.371 -1.344 -0.364) 1.954 12.970 ( 1.142 -2.266 1.202) 2.808 13.012 ( 0.359 -2.918 -0.879) 3.068 13.151 ( 2.440 1.670 1.347) 3.249 13.195 ( 1.940 -0.225 -0.916) 2.157 13.325 ( 0.255 2.529 1.321) 2.864 13.403 ( 0.197 0.577 -3.126) 3.185 13.663 ( 1.866 -0.482 -0.840) 2.103 13.689 ( 2.449 -1.292 -0.828) 2.890 13.741 ( -2.492 -0.571 0.999) 2.745 13.784 ( -3.315 -1.453 2.223) 4.247 13.896 ( 0.391 4.611 1.696) 4.929 13.982 ( -2.806 3.763 -1.207) 4.847 14.232 ( -1.081 -2.305 7.609) 8.024 14.263 ( 4.295 -1.926 -4.946) 6.828 14.632 ( 1.186 3.323 -2.333) 4.230 14.741 ( -5.273 4.190 0.772) 6.779 15.110 ( 9.878 0.395 1.112) 9.948 15.310 ( 3.572 1.959 -0.904) 4.173 15.383 ( 0.201 -1.179 -0.245) 1.221 15.465 ( 5.813 -1.432 -2.330) 6.424 15.563 ( -7.793 -3.424 -1.755) 8.691 15.683 ( -6.209 -1.194 1.249) 6.445 22.069 ( -0.335 4.101 -0.142) 4.117 22.090 ( -1.053 5.131 -1.237) 5.382 22.438 ( -1.216 -0.941 0.370) 1.581 22.469 ( -1.920 -1.861 0.626) 2.746 22.537 ( -0.436 2.924 0.794) 3.061 22.575 ( -1.361 1.890 1.340) 2.687 22.747 ( 4.394 -1.579 -3.552) 5.867 22.844 ( -3.676 -3.874 4.950) 7.281 23.066 ( 1.294 1.765 6.299) 6.669 23.126 ( -0.372 -0.006 1.511) 1.556 23.213 ( -2.600 1.898 -0.727) 3.301 23.287 ( -3.593 0.371 -1.936) 4.098 23.528 ( 2.262 1.075 -4.274) 4.954 23.555 ( -0.754 1.168 2.904) 3.220 23.640 ( 0.661 -0.518 3.530) 3.628 23.788 ( -3.657 -1.713 -3.891) 5.608 24.012 ( 1.124 -0.938 0.791) 1.663 24.046 ( 1.352 -0.125 -0.549) 1.464 24.087 ( 0.214 -1.328 -0.586) 1.467 24.101 ( 0.474 -0.411 -0.058) 0.630 24.189 ( 0.345 -0.358 0.174) 0.527 24.203 ( 1.137 -1.466 -1.793) 2.580 24.268 ( 1.877 2.719 0.040) 3.305 24.322 ( -2.079 0.849 -0.128) 2.249 24.386 ( 1.870 0.890 3.945) 4.456 24.502 ( 1.767 -2.028 -1.432) 3.047 24.819 ( -4.996 -2.501 -1.534) 5.794 24.855 ( -6.810 -2.005 -0.454) 7.113 25.304 ( 1.685 0.883 3.494) 3.978 25.379 ( 4.048 2.035 -3.311) 5.612 25.444 ( 4.596 -0.735 2.081) 5.098 25.627 ( 2.069 -2.924 -5.373) 6.457 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.799 4.405 0.034) 5.219 1.179 ( -2.356 7.631 -2.331) 8.319 1.342 ( -0.169 -4.559 -2.794) 5.349 1.386 ( 4.483 -2.076 -4.779) 6.874 1.472 ( -9.132 -3.226 3.417) 10.271 1.531 ( 4.135 0.255 0.527) 4.176 1.652 ( -2.686 1.385 0.915) 3.158 1.700 ( 1.775 -2.064 -1.757) 3.240 1.808 ( 6.120 1.547 3.317) 7.131 1.868 ( 0.422 6.139 0.474) 6.172 1.944 ( -6.474 2.003 -2.168) 7.115 1.980 ( 5.333 1.414 -3.403) 6.483 2.028 ( -4.146 -1.985 2.844) 5.405 2.068 ( 1.676 -3.191 -0.780) 3.688 2.142 ( -4.409 1.216 6.560) 7.997 2.169 ( -6.212 3.237 5.546) 8.934 2.267 ( -1.358 -1.115 -3.327) 3.762 2.344 ( 8.685 3.758 -6.278) 11.356 2.412 ( 0.916 -0.218 -2.791) 2.945 2.458 ( 0.056 -0.160 -5.382) 5.385 2.513 ( 1.229 0.582 3.480) 3.736 2.566 ( 1.547 -1.473 -1.234) 2.467 2.719 ( 3.695 5.124 5.846) 8.607 2.867 ( -4.264 -0.638 2.487) 4.977 2.887 ( 3.793 -0.446 -1.194) 4.001 2.912 ( -5.735 1.452 -6.375) 8.697 3.018 ( -2.876 3.054 8.234) 9.242 3.072 ( 4.848 -0.055 2.597) 5.500 3.097 ( 3.329 1.698 1.587) 4.060 3.122 ( 0.442 -1.637 0.820) 1.884 3.264 ( -6.118 4.107 0.491) 7.385 3.343 ( -0.128 0.557 -3.409) 3.456 3.436 ( -2.041 0.819 1.653) 2.751 3.482 ( 4.321 -0.365 -0.581) 4.375 3.587 ( 2.522 4.992 8.230) 9.951 3.639 ( -2.552 2.054 1.686) 3.684 3.709 ( 0.874 2.950 -2.505) 3.967 3.814 ( 2.281 2.029 -7.026) 7.661 3.883 ( -1.179 -2.102 4.801) 5.372 3.909 ( -4.759 -6.664 3.012) 8.725 4.049 ( 2.250 -2.167 2.011) 3.715 4.081 ( -1.296 1.470 0.403) 2.000 4.147 ( 0.979 0.258 2.095) 2.327 4.166 ( 0.864 1.019 -1.171) 1.777 4.189 ( -2.150 -0.090 2.817) 3.545 4.241 ( 3.006 -2.239 -2.045) 4.270 4.269 ( -0.436 0.137 3.555) 3.585 4.369 ( 0.249 0.874 -5.034) 5.115 4.509 ( 3.994 -4.889 1.191) 6.424 4.533 ( -0.522 -4.024 2.035) 4.540 4.604 ( 0.830 0.139 -1.562) 1.774 4.622 ( -0.983 -2.808 -0.695) 3.055 4.695 ( -1.182 -4.637 5.622) 7.383 4.877 ( -0.321 -6.497 -9.408) 11.438 5.232 ( 1.793 1.102 -0.894) 2.286 5.255 ( -1.604 1.693 -2.806) 3.648 5.377 ( -0.808 3.169 3.572) 4.843 5.449 ( -2.156 1.410 -3.129) 4.053 5.497 ( 4.149 2.913 -0.916) 5.151 5.505 ( -1.518 2.534 -1.078) 3.144 5.914 ( -6.125 0.980 1.776) 6.452 5.941 ( 4.228 0.302 -0.504) 4.269 6.063 ( 4.086 -0.822 4.397) 6.058 6.177 ( -3.634 -2.149 -6.461) 7.717 6.304 ( -2.108 1.429 5.016) 5.626 6.433 ( 1.984 -1.636 -6.079) 6.601 6.675 ( -2.073 -0.784 0.658) 2.312 6.706 ( 0.732 -2.198 -2.170) 3.174 6.843 ( -0.582 3.307 5.475) 6.422 6.974 ( 0.732 1.530 -6.306) 6.531 7.120 ( 1.182 -3.215 2.010) 3.972 7.164 ( -0.221 -2.745 -2.049) 3.432 7.735 ( -1.614 0.883 -0.209) 1.851 7.742 ( 1.031 0.846 -0.739) 1.525 7.881 ( 1.004 0.530 0.535) 1.256 7.926 ( -1.128 0.620 -3.469) 3.700 8.064 ( -0.963 0.951 1.085) 1.735 8.078 ( 1.613 0.273 -0.030) 1.637 8.449 ( 1.389 -3.757 3.916) 5.602 8.513 ( -1.121 -4.446 -2.162) 5.070 8.949 ( -1.388 0.693 3.114) 3.480 9.024 ( 0.842 -0.106 -3.827) 3.920 9.112 ( -0.014 -1.802 0.464) 1.861 9.125 ( 0.948 -1.173 -0.865) 1.739 9.393 ( 0.262 1.846 1.224) 2.230 9.421 ( -0.009 1.939 -1.347) 2.361 9.503 ( 0.910 -1.373 0.383) 1.691 9.516 ( -1.507 -0.835 -0.772) 1.888 9.775 ( -0.808 0.305 4.980) 5.054 9.837 ( -0.979 -1.514 1.235) 2.186 9.888 ( 0.483 0.754 -1.166) 1.470 9.918 ( 1.005 -0.456 -2.731) 2.946 11.797 ( -0.196 1.540 0.639) 1.679 11.822 ( 0.109 1.225 -1.538) 1.969 11.931 ( 0.835 -0.683 1.024) 1.487 11.948 ( -1.059 -1.114 -0.135) 1.543 12.007 ( -0.921 1.993 2.151) 3.074 12.048 ( 0.929 2.587 -1.495) 3.129 12.188 ( 2.126 -1.795 2.383) 3.664 12.230 ( -0.884 -1.104 -1.738) 2.241 12.835 ( 0.701 -0.736 0.777) 1.279 12.849 ( -0.837 -1.187 -0.536) 1.548 12.986 ( 0.396 -2.114 1.116) 2.423 13.014 ( -0.269 -2.700 -1.231) 2.979 13.176 ( -0.198 1.367 2.456) 2.818 13.197 ( -1.222 0.637 0.669) 1.532 13.337 ( 0.842 2.239 1.344) 2.744 13.396 ( -0.688 0.657 -3.896) 4.010 13.690 ( -2.143 -0.537 0.548) 2.277 13.698 ( 1.024 -1.087 -0.233) 1.512 13.728 ( -1.702 -0.902 1.237) 2.289 13.747 ( 3.019 -1.583 -0.151) 3.412 13.906 ( -0.009 4.484 1.920) 4.878 13.957 ( 0.363 5.703 -2.495) 6.236 14.185 ( -3.517 -1.223 8.105) 8.919 14.353 ( 4.644 -3.244 -7.086) 9.072 14.632 ( -4.166 4.175 2.067) 6.249 14.697 ( 3.770 3.355 -4.056) 6.474 15.265 ( 3.678 0.194 4.706) 5.976 15.306 ( -3.999 2.307 1.298) 4.795 15.388 ( 1.046 -3.877 -0.193) 4.021 15.441 ( -2.283 -1.045 -3.699) 4.471 15.549 ( -7.234 -1.573 1.397) 7.534 15.603 ( 7.425 -2.079 -3.071) 8.300 22.068 ( 0.302 3.913 -0.260) 3.933 22.076 ( -0.305 4.481 -0.846) 4.571 22.416 ( -1.012 -1.322 2.331) 2.865 22.449 ( 0.495 -0.625 -0.771) 1.109 22.546 ( 0.549 0.879 1.220) 1.601 22.573 ( 1.017 2.558 -1.461) 3.116 22.748 ( -5.204 -2.395 4.832) 7.494 22.843 ( 4.797 -2.297 -3.338) 6.279 23.109 ( 2.505 2.051 5.152) 6.085 23.140 ( 1.519 0.199 1.694) 2.284 23.186 ( 0.112 0.828 -0.572) 1.013 23.227 ( -2.263 0.636 -3.519) 4.232 23.526 ( -2.439 1.097 1.652) 3.143 23.585 ( 3.331 0.361 -3.620) 4.933 23.646 ( 0.473 -0.191 3.724) 3.759 23.744 ( -0.656 -1.878 -4.633) 5.042 24.016 ( -0.928 0.070 2.627) 2.787 24.067 ( 0.255 -0.818 -1.962) 2.141 24.083 ( -0.318 -0.841 0.535) 1.046 24.099 ( 0.185 -0.300 -0.759) 0.836 24.192 ( -0.037 -0.772 0.174) 0.792 24.216 ( 0.189 -1.220 -1.878) 2.248 24.293 ( -0.621 2.373 0.293) 2.470 24.304 ( 1.227 2.348 -0.606) 2.717 24.427 ( 2.002 0.851 4.300) 4.819 24.516 ( -0.532 -0.984 -4.057) 4.209 24.746 ( -3.343 -2.831 2.825) 5.213 24.778 ( -0.065 -3.640 -0.450) 3.668 25.319 ( -0.289 2.122 3.846) 4.402 25.429 ( 1.407 1.610 -6.164) 6.524 25.515 ( 2.204 -1.968 3.921) 4.909 25.611 ( -3.085 -2.265 -4.550) 5.946 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -6.220 5.655 1.643) 8.565 1.102 ( -3.415 10.129 1.448) 10.787 1.279 ( -10.139 -0.192 6.722) 12.166 1.391 ( 3.022 -4.501 -6.256) 8.279 1.503 ( 4.458 -4.238 -0.796) 6.202 1.568 ( -0.544 2.294 1.914) 3.036 1.648 ( 1.784 -5.084 1.614) 5.624 1.745 ( -3.275 1.350 2.992) 4.637 1.778 ( -3.654 -3.017 -3.635) 5.972 1.879 ( -1.999 4.658 -0.819) 5.135 1.939 ( 3.349 2.058 1.006) 4.057 1.973 ( 0.617 4.730 0.696) 4.820 2.033 ( 1.227 1.586 2.105) 2.907 2.074 ( -2.776 1.693 4.210) 5.320 2.099 ( 4.704 -0.735 -1.238) 4.920 2.120 ( 0.221 -2.182 0.324) 2.217 2.248 ( 1.034 -4.819 -4.412) 6.615 2.348 ( -6.287 4.092 9.016) 11.729 2.433 ( -1.067 -0.255 -2.354) 2.597 2.513 ( 5.887 0.552 -0.912) 5.983 2.544 ( 4.366 -1.607 -3.762) 5.983 2.621 ( 1.041 0.162 0.364) 1.115 2.743 ( -0.440 1.626 1.729) 2.414 2.794 ( -0.332 4.588 -2.760) 5.364 2.864 ( -1.219 2.140 -2.593) 3.576 2.974 ( -3.380 -0.976 -1.031) 3.666 2.999 ( 0.169 1.589 4.766) 5.026 3.037 ( 3.091 1.338 0.189) 3.374 3.131 ( 0.741 -0.494 2.146) 2.323 3.170 ( 0.551 -0.903 1.448) 1.793 3.238 ( 0.929 -0.541 -0.983) 1.457 3.382 ( 4.637 -0.346 0.982) 4.752 3.424 ( 2.257 5.047 -4.773) 7.304 3.483 ( -2.771 2.511 1.376) 3.985 3.588 ( -1.251 6.373 6.933) 9.500 3.628 ( 0.454 2.365 -1.255) 2.716 3.698 ( -2.521 5.004 -4.358) 7.099 3.798 ( -6.250 -6.772 5.769) 10.872 3.865 ( 3.342 0.437 -2.782) 4.370 3.921 ( 4.442 -2.924 4.448) 6.933 4.063 ( -1.278 0.384 3.770) 3.999 4.081 ( 0.542 -2.624 -0.643) 2.756 4.170 ( 1.148 0.610 -1.892) 2.296 4.174 ( -0.615 2.849 2.601) 3.906 4.194 ( 2.142 0.655 0.657) 2.334 4.271 ( 0.715 0.557 -0.229) 0.935 4.294 ( 2.029 -3.441 -0.686) 4.053 4.375 ( 0.969 0.900 -2.538) 2.862 4.501 ( -2.853 -4.485 -5.424) 7.594 4.531 ( -2.105 -1.933 3.027) 4.163 4.612 ( 0.353 0.069 -1.371) 1.417 4.656 ( 3.398 -2.905 0.173) 4.473 4.707 ( 2.760 -8.954 6.004) 11.129 4.902 ( 3.548 -4.627 -7.287) 9.333 5.222 ( -2.747 3.410 -2.839) 5.218 5.269 ( 1.065 0.196 -0.378) 1.147 5.309 ( -4.939 1.414 3.173) 6.038 5.338 ( -4.749 0.946 -2.189) 5.314 5.504 ( -0.397 2.926 -1.749) 3.432 5.563 ( -0.298 1.277 0.047) 1.312 5.808 ( -2.442 1.534 0.464) 2.921 5.958 ( -2.400 0.882 1.285) 2.861 6.099 ( -0.859 -1.853 5.456) 5.826 6.117 ( -1.702 -3.104 -6.929) 7.781 6.326 ( 3.592 3.124 3.090) 5.676 6.462 ( 0.897 -0.390 -4.066) 4.182 6.646 ( -0.586 0.047 0.319) 0.669 6.702 ( -1.071 -2.457 0.737) 2.780 6.838 ( -0.314 3.937 4.175) 5.747 6.975 ( -0.362 1.473 -6.241) 6.422 7.151 ( 1.700 -4.016 1.844) 4.735 7.176 ( 1.459 -3.328 -2.633) 4.487 7.697 ( -1.961 1.328 -0.057) 2.369 7.749 ( -0.324 0.241 -0.252) 0.476 7.891 ( -0.049 0.503 1.008) 1.128 7.905 ( -0.642 0.698 -3.646) 3.767 8.042 ( -1.198 1.444 0.403) 1.919 8.101 ( 0.588 -0.589 -0.508) 0.975 8.474 ( 0.713 -4.420 3.445) 5.649 8.495 ( -0.383 -4.195 -2.053) 4.686 8.917 ( -1.707 1.312 2.573) 3.355 9.017 ( -1.104 0.116 -2.914) 3.118 9.113 ( -0.005 -2.420 0.170) 2.426 9.147 ( 0.977 -1.048 -1.695) 2.219 9.395 ( 0.274 2.089 0.348) 2.135 9.438 ( 1.304 1.783 -0.629) 2.297 9.488 ( -0.527 -0.832 -0.918) 1.346 9.524 ( 0.654 -1.069 1.259) 1.776 9.762 ( -0.751 0.205 5.062) 5.122 9.823 ( -0.296 -1.482 1.863) 2.398 9.901 ( 0.678 0.837 -2.366) 2.599 9.941 ( 1.322 -0.536 -2.008) 2.464 11.790 ( -0.488 1.088 0.872) 1.477 11.820 ( -0.151 1.056 -1.708) 2.014 11.929 ( -0.304 -0.642 -0.151) 0.726 11.965 ( 1.495 0.093 1.021) 1.812 12.002 ( 0.344 2.359 2.021) 3.125 12.080 ( 2.396 1.172 -0.863) 2.803 12.214 ( -0.621 -0.785 -2.767) 2.942 12.229 ( 1.837 -2.179 0.947) 3.003 12.843 ( 0.502 -0.371 -0.464) 0.777 12.856 ( 1.310 -1.039 1.025) 1.961 12.988 ( -0.433 -2.540 0.577) 2.640 12.996 ( -1.248 -2.465 -0.469) 2.802 13.147 ( -2.775 1.529 2.735) 4.185 13.157 ( -3.049 1.054 0.974) 3.370 13.352 ( 0.454 1.880 1.636) 2.534 13.379 ( -0.733 0.842 -3.347) 3.528 13.647 ( -2.214 -0.230 0.546) 2.292 13.670 ( -2.058 -1.053 0.780) 2.440 13.751 ( 2.034 -0.582 -0.146) 2.120 13.818 ( 4.381 -2.811 -0.377) 5.219 13.901 ( -0.002 3.007 1.523) 3.371 13.986 ( 2.460 5.748 -1.687) 6.476 14.117 ( -3.904 -0.706 6.473) 7.592 14.408 ( 0.774 -4.534 -6.624) 8.065 14.586 ( 0.201 4.397 1.749) 4.737 14.778 ( 4.261 2.388 -2.532) 5.502 15.124 ( -11.627 0.754 0.411) 11.658 15.271 ( -4.044 2.870 1.874) 5.301 15.383 ( -4.444 0.337 0.145) 4.460 15.422 ( 0.418 -1.584 0.762) 1.806 15.540 ( 6.588 -1.881 -0.037) 6.851 15.730 ( 5.850 -3.114 -2.049) 6.937 22.078 ( 0.558 4.345 -0.252) 4.388 22.079 ( 0.745 4.524 -0.907) 4.674 22.414 ( 0.647 -1.268 1.851) 2.335 22.480 ( 2.606 -0.188 -0.022) 2.613 22.542 ( -0.870 0.920 0.227) 1.287 22.607 ( 1.666 1.133 -1.210) 2.350 22.667 ( -2.371 -0.457 3.141) 3.962 22.924 ( 3.508 -2.804 -1.350) 4.690 23.135 ( 0.133 1.732 1.341) 2.195 23.178 ( 1.508 0.886 -2.069) 2.709 23.209 ( 1.425 0.422 -2.023) 2.510 23.240 ( 5.179 -0.046 1.806) 5.485 23.469 ( -3.322 1.466 0.646) 3.688 23.629 ( 1.447 -1.458 -2.788) 3.463 23.689 ( 3.445 -0.364 1.903) 3.953 23.750 ( 1.489 -1.188 -3.795) 4.246 23.986 ( -2.048 -0.255 2.271) 3.069 24.041 ( -2.203 -1.993 0.225) 2.979 24.081 ( -0.653 -0.248 -0.162) 0.717 24.110 ( 0.353 -0.842 -0.875) 1.265 24.178 ( -1.447 -0.300 -0.419) 1.536 24.216 ( 0.176 -0.831 -1.341) 1.587 24.274 ( -1.550 2.045 -0.446) 2.604 24.326 ( 1.087 1.267 -0.082) 1.672 24.449 ( -0.757 -0.376 0.812) 1.172 24.490 ( -0.926 0.345 -3.086) 3.240 24.741 ( 3.509 -1.887 5.259) 6.598 24.826 ( 4.411 -2.641 2.391) 5.670 25.299 ( -1.844 2.495 2.559) 4.021 25.420 ( -2.197 0.488 -6.312) 6.701 25.504 ( -5.052 -2.283 0.057) 5.544 25.535 ( -2.906 -1.099 0.128) 3.109 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -3.458 8.791 4.756) 10.576 1.039 ( -4.607 10.119 -2.269) 11.348 1.104 ( -6.725 3.194 13.582) 15.488 1.394 ( -3.824 1.688 -11.677) 12.402 1.481 ( -3.280 -1.263 6.124) 7.061 1.575 ( 2.911 -2.918 -0.061) 4.122 1.690 ( -1.589 0.475 3.722) 4.074 1.726 ( 2.613 -3.235 -0.950) 4.266 1.741 ( 3.405 -0.398 2.094) 4.017 1.824 ( -3.703 -5.843 -1.365) 7.051 1.922 ( -2.705 5.085 4.072) 7.054 1.972 ( -0.617 2.479 4.692) 5.343 2.039 ( -0.800 -1.103 -3.298) 3.569 2.107 ( 2.782 -1.335 3.278) 4.502 2.132 ( 0.920 -1.369 4.394) 4.694 2.197 ( 3.003 2.243 3.909) 5.415 2.298 ( 5.006 0.184 2.490) 5.594 2.349 ( 5.341 -1.828 -1.196) 5.771 2.427 ( 0.573 -4.582 1.189) 4.769 2.588 ( -1.042 -1.452 -2.584) 3.141 2.597 ( 3.057 -1.022 -5.844) 6.674 2.636 ( 3.301 3.896 0.859) 5.178 2.736 ( -3.271 0.851 0.496) 3.416 2.762 ( -3.885 2.470 -3.240) 5.629 2.836 ( 1.998 2.635 -3.896) 5.110 2.883 ( -2.909 0.678 -3.898) 4.911 3.011 ( 0.462 4.612 3.381) 5.737 3.052 ( -2.454 -3.348 4.902) 6.423 3.137 ( -1.932 -1.812 1.482) 3.035 3.215 ( -1.954 -0.074 -7.521) 7.771 3.292 ( 7.176 -0.183 3.999) 8.217 3.371 ( -0.228 4.121 -1.538) 4.405 3.470 ( 3.699 1.895 -4.251) 5.945 3.553 ( 3.213 7.205 -2.101) 8.163 3.573 ( -2.726 3.799 7.552) 8.882 3.616 ( 0.780 1.914 2.202) 3.020 3.651 ( -1.746 3.423 -2.337) 4.498 3.745 ( 2.961 -1.800 5.269) 6.306 3.907 ( -0.199 0.830 -5.163) 5.233 3.997 ( -1.433 -1.097 2.562) 3.133 4.020 ( 1.584 -1.936 3.769) 4.523 4.098 ( 1.733 -3.351 -2.010) 4.275 4.151 ( -1.012 2.517 4.974) 5.666 4.190 ( 0.324 1.672 -2.485) 3.013 4.225 ( 0.696 -0.059 1.590) 1.737 4.276 ( -2.929 -1.847 2.554) 4.303 4.311 ( 1.238 0.239 -3.379) 3.607 4.373 ( -1.281 -0.819 -1.879) 2.417 4.451 ( -1.264 -3.211 -3.235) 4.730 4.481 ( -2.815 -2.635 1.072) 4.002 4.618 ( 2.395 1.018 -1.894) 3.219 4.690 ( -0.126 -0.354 1.011) 1.079 4.812 ( 6.392 -10.517 -0.050) 12.307 4.984 ( 3.900 -6.264 -3.760) 8.282 5.118 ( -5.831 1.396 -1.431) 6.164 5.195 ( -5.700 2.556 1.498) 6.424 5.263 ( -0.609 1.439 -0.022) 1.563 5.348 ( 1.161 -1.994 -1.929) 3.008 5.456 ( -1.863 3.739 -0.903) 4.274 5.535 ( -1.300 2.534 1.786) 3.362 5.823 ( 2.201 -0.242 -1.241) 2.538 5.911 ( -1.964 -0.492 -0.943) 2.234 6.061 ( -2.502 -1.306 0.034) 2.822 6.074 ( -2.902 -0.942 0.729) 3.137 6.398 ( 3.059 3.039 2.260) 4.868 6.460 ( -0.650 1.844 -1.213) 2.300 6.657 ( 1.460 0.550 -1.156) 1.942 6.678 ( -1.161 -2.495 1.829) 3.305 6.830 ( -0.616 4.467 3.312) 5.595 6.956 ( -1.142 1.587 -5.950) 6.263 7.177 ( 0.657 -4.649 2.311) 5.233 7.206 ( 1.487 -4.570 -2.242) 5.303 7.676 ( 0.031 1.409 0.070) 1.411 7.734 ( -1.062 0.211 -0.498) 1.191 7.880 ( -1.072 0.463 1.392) 1.817 7.903 ( 0.643 0.261 -4.072) 4.131 8.026 ( -0.333 1.158 0.108) 1.209 8.092 ( -1.538 -1.278 -0.984) 2.228 8.478 ( -0.284 -4.726 2.922) 5.564 8.497 ( 0.480 -4.465 -1.305) 4.677 8.897 ( -0.358 1.862 2.109) 2.836 8.990 ( -1.426 0.947 -3.119) 3.558 9.112 ( 0.019 -2.646 0.060) 2.647 9.149 ( -0.641 -1.403 -1.462) 2.125 9.409 ( 1.058 1.857 0.117) 2.141 9.447 ( -0.350 1.572 0.045) 1.612 9.507 ( 2.213 -0.425 -1.754) 2.856 9.527 ( -0.516 -0.877 2.092) 2.326 9.755 ( -0.125 0.404 4.729) 4.747 9.829 ( 0.598 -1.675 0.732) 1.924 9.908 ( 0.276 1.381 -1.775) 2.266 9.959 ( 0.455 -0.401 -1.636) 1.744 11.784 ( -0.170 0.817 1.001) 1.303 11.818 ( 0.047 0.446 -2.093) 2.141 11.928 ( 0.374 0.490 0.038) 0.618 11.976 ( -0.513 0.472 0.322) 0.768 12.029 ( 2.250 2.028 2.269) 3.784 12.122 ( 1.405 0.150 -0.151) 1.421 12.208 ( 0.418 -0.241 -3.203) 3.239 12.246 ( -0.355 -1.855 -0.631) 1.991 12.867 ( 1.636 -0.052 -0.715) 1.786 12.887 ( 1.951 0.147 0.573) 2.039 12.952 ( -1.819 -3.287 0.977) 3.882 12.998 ( 0.765 -1.700 1.111) 2.170 13.067 ( -4.996 1.434 1.549) 5.424 13.105 ( -2.660 0.115 0.138) 2.666 13.352 ( -0.526 1.625 2.053) 2.671 13.372 ( 0.201 0.944 -2.268) 2.465 13.616 ( -0.899 -0.180 0.506) 1.048 13.640 ( -1.128 -0.657 -0.233) 1.326 13.786 ( 1.692 0.090 0.693) 1.831 13.863 ( -0.338 -0.580 -0.966) 1.176 13.954 ( 5.178 -1.520 -0.258) 5.403 14.048 ( -3.397 0.231 3.620) 4.969 14.058 ( 5.567 0.628 3.033) 6.370 14.376 ( -3.576 -5.116 -3.821) 7.319 14.629 ( 3.600 3.639 0.712) 5.168 14.852 ( 3.364 1.026 0.660) 3.578 14.894 ( -11.328 5.465 0.033) 12.577 15.142 ( -7.562 4.792 -2.694) 9.349 15.362 ( 1.024 0.452 0.548) 1.247 15.413 ( -1.137 0.366 0.701) 1.385 15.666 ( 5.761 -1.693 2.023) 6.336 15.812 ( 2.645 -3.711 -2.481) 5.188 22.087 ( 0.329 4.837 0.083) 4.849 22.098 ( 1.178 5.248 -1.557) 5.600 22.438 ( 1.658 -1.290 1.208) 2.424 22.513 ( -1.821 -1.641 0.800) 2.579 22.536 ( 2.671 2.128 0.248) 3.424 22.595 ( -1.317 3.020 0.128) 3.297 22.706 ( 4.430 -1.639 1.314) 4.903 22.961 ( -0.120 -3.137 -1.531) 3.493 23.121 ( -1.954 2.277 1.725) 3.461 23.193 ( 1.042 0.813 -5.589) 5.743 23.272 ( 3.972 -0.533 0.159) 4.011 23.335 ( 2.989 -0.683 0.216) 3.074 23.434 ( 1.140 2.105 2.352) 3.356 23.650 ( 0.939 -3.913 -2.972) 5.003 23.711 ( -0.670 -0.649 -4.308) 4.407 23.821 ( 4.711 0.707 0.908) 4.849 23.935 ( -4.960 -2.949 1.997) 6.106 23.984 ( -2.623 -0.654 0.505) 2.750 24.057 ( -1.519 -0.561 0.890) 1.848 24.095 ( -1.109 -1.177 -1.519) 2.219 24.163 ( 0.175 1.266 0.087) 1.281 24.219 ( -0.571 -0.151 -1.284) 1.414 24.243 ( -0.560 1.261 0.254) 1.403 24.338 ( -0.720 -0.556 0.354) 0.977 24.414 ( -1.084 -0.856 -1.255) 1.866 24.485 ( -0.122 -1.795 -1.290) 2.214 24.887 ( 10.507 -0.438 4.713) 11.524 24.931 ( 6.300 -0.565 3.909) 7.436 25.262 ( -1.920 1.348 0.432) 2.385 25.344 ( -5.067 0.339 -3.819) 6.354 25.384 ( -5.982 -1.047 -1.672) 6.299 25.462 ( -5.294 -0.180 1.038) 5.398 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -4.256 14.668 7.160) 16.868 1.200 ( 1.888 8.112 2.745) 8.770 1.245 ( 1.113 5.248 -0.536) 5.391 1.353 ( 0.943 -3.220 -4.392) 5.527 1.413 ( 0.118 -1.643 4.768) 5.044 1.560 ( 4.947 -8.702 -7.055) 12.247 1.669 ( 2.992 0.530 3.945) 4.980 1.703 ( 0.015 -1.917 4.444) 4.840 1.739 ( 3.286 1.266 0.445) 3.549 1.776 ( 1.476 -0.565 -2.305) 2.795 1.860 ( -2.073 -0.177 1.652) 2.657 1.964 ( -1.972 -6.327 -6.372) 9.193 2.039 ( -0.522 -0.168 -0.605) 0.816 2.060 ( -1.361 -2.324 -0.952) 2.857 2.144 ( 2.361 -1.300 0.025) 2.695 2.169 ( 4.439 -4.457 -1.130) 6.391 2.324 ( -0.761 0.937 0.445) 1.286 2.337 ( -4.282 -0.528 -0.798) 4.387 2.527 ( -0.480 9.967 9.051) 13.472 2.589 ( -2.312 4.375 1.500) 5.171 2.643 ( -3.565 -1.171 1.104) 3.911 2.686 ( 1.500 -1.409 -2.303) 3.089 2.706 ( -1.499 2.687 3.522) 4.676 2.794 ( -2.090 -1.513 1.350) 2.911 2.841 ( -1.377 3.486 3.546) 5.160 2.922 ( 0.828 1.461 -2.284) 2.835 2.968 ( -0.378 -2.660 0.491) 2.732 3.000 ( 0.837 -5.199 0.677) 5.309 3.197 ( 4.293 9.022 2.817) 10.381 3.303 ( 1.722 6.230 -3.361) 7.285 3.348 ( 0.586 -2.737 8.667) 9.108 3.422 ( 1.390 -3.693 3.421) 5.222 3.502 ( 1.903 3.560 -0.793) 4.114 3.528 ( -3.121 2.271 -3.904) 5.490 3.574 ( -3.801 -0.044 0.166) 3.805 3.707 ( 0.504 4.419 3.282) 5.528 3.726 ( 0.047 -6.848 -9.725) 11.895 3.796 ( -2.697 -4.403 -4.696) 6.980 3.911 ( -0.564 1.285 3.178) 3.475 3.963 ( 1.842 4.155 2.123) 5.016 3.969 ( -0.552 -4.403 2.769) 5.231 4.047 ( 3.436 -3.682 4.172) 6.540 4.129 ( -1.832 1.234 -4.925) 5.397 4.186 ( -1.265 -3.016 -4.792) 5.801 4.241 ( -3.075 4.949 5.638) 8.108 4.295 ( 1.132 4.087 2.525) 4.936 4.326 ( -1.729 -0.737 3.352) 3.843 4.364 ( -2.567 0.088 -1.124) 2.804 4.420 ( 1.910 -0.506 -1.946) 2.773 4.427 ( 3.230 1.753 -5.596) 6.695 4.630 ( -0.765 -1.802 0.636) 2.058 4.677 ( -0.314 -5.242 -2.008) 5.623 4.786 ( -1.078 1.377 0.390) 1.792 4.847 ( 0.896 -4.165 -4.096) 5.910 5.132 ( 3.177 0.429 -1.284) 3.453 5.135 ( -0.341 0.134 -1.786) 1.823 5.278 ( 0.331 0.030 -0.438) 0.550 5.288 ( -1.142 -0.999 -1.426) 2.082 5.530 ( -0.071 1.716 3.201) 3.633 5.555 ( 2.301 -0.448 1.058) 2.572 5.831 ( -1.522 0.623 -1.319) 2.108 5.856 ( -0.784 -1.601 -3.292) 3.744 6.036 ( 0.924 0.088 1.048) 1.400 6.039 ( 0.518 -0.169 0.818) 0.983 6.500 ( -0.026 3.568 1.230) 3.774 6.526 ( 0.594 2.830 -1.232) 3.144 6.618 ( -0.603 -1.057 1.455) 1.897 6.660 ( 0.561 -3.118 -2.728) 4.181 6.929 ( -0.070 5.485 1.260) 5.629 6.988 ( -0.082 2.720 -3.893) 4.750 7.066 ( -0.529 -4.943 2.043) 5.375 7.105 ( 0.260 -5.686 -1.468) 5.878 7.717 ( 0.558 1.104 0.152) 1.246 7.728 ( 0.219 0.214 -0.891) 0.942 7.871 ( -0.921 1.205 0.572) 1.621 7.903 ( 0.616 -1.699 -2.340) 2.957 8.043 ( -0.153 0.363 0.125) 0.413 8.045 ( -0.577 0.166 0.024) 0.600 8.393 ( -0.458 -1.642 1.550) 2.304 8.416 ( 0.560 -3.719 -0.694) 3.825 8.953 ( 0.699 2.577 1.297) 2.969 8.987 ( -0.225 -0.067 -1.726) 1.742 9.075 ( 0.147 -0.936 -0.141) 0.957 9.091 ( -0.803 -1.868 -1.419) 2.479 9.451 ( -0.969 0.841 0.941) 1.592 9.461 ( 0.194 0.029 0.111) 0.225 9.503 ( -0.387 0.938 1.193) 1.566 9.528 ( 1.181 -1.233 -0.873) 1.917 9.780 ( 0.604 1.197 1.768) 2.219 9.808 ( 0.538 -1.464 -0.282) 1.585 9.938 ( -0.144 0.863 0.157) 0.889 9.949 ( -0.594 -0.286 -0.618) 0.904 11.801 ( -0.010 0.827 -0.036) 0.828 11.814 ( -0.063 -0.485 -1.230) 1.324 11.972 ( 1.178 1.060 0.152) 1.592 11.976 ( -0.559 0.763 -0.192) 0.965 12.092 ( 0.583 0.897 1.079) 1.519 12.113 ( -1.133 -0.853 -0.613) 1.545 12.201 ( -1.280 0.435 -0.138) 1.358 12.218 ( 0.740 -0.998 -1.696) 2.102 12.882 ( -0.441 -0.292 0.735) 0.906 12.884 ( 0.500 -0.257 0.401) 0.691 12.979 ( -5.083 0.687 1.285) 5.288 12.991 ( 3.557 0.608 0.048) 3.609 13.001 ( 1.082 -1.061 1.500) 2.132 13.028 ( 0.838 -1.922 -0.937) 2.297 13.379 ( -0.288 1.645 0.680) 1.803 13.393 ( 0.307 0.192 -0.656) 0.750 13.609 ( 0.584 -0.197 -0.056) 0.619 13.615 ( 0.224 -0.729 -0.600) 0.970 13.820 ( 0.191 0.265 0.780) 0.846 13.829 ( -0.989 -0.625 -0.003) 1.169 13.996 ( 0.007 2.326 3.920) 4.558 14.044 ( 3.078 -1.468 1.226) 3.624 14.119 ( -0.063 0.420 1.687) 1.740 14.178 ( -3.395 -4.364 -2.265) 5.976 14.754 ( -1.189 2.429 2.869) 3.943 14.787 ( 1.835 -0.487 0.663) 2.011 15.032 ( -1.327 7.022 0.758) 7.186 15.119 ( 1.785 -0.825 -6.659) 6.943 15.411 ( -0.330 1.265 1.034) 1.667 15.417 ( 0.165 0.962 0.576) 1.133 15.701 ( 0.188 -0.416 1.125) 1.214 15.741 ( -0.262 -3.847 -2.298) 4.489 22.195 ( -0.309 4.743 0.166) 4.756 22.219 ( 0.473 3.036 -2.086) 3.714 22.432 ( 0.711 -1.478 1.677) 2.346 22.445 ( 0.592 -2.413 0.712) 2.585 22.641 ( 1.777 3.104 0.292) 3.588 22.653 ( -1.344 3.951 -0.529) 4.207 22.744 ( 2.146 -1.499 2.281) 3.472 22.808 ( -4.776 -5.288 -2.914) 7.699 23.139 ( -2.982 3.528 4.165) 6.220 23.198 ( -2.373 -1.851 0.288) 3.024 23.295 ( 0.574 0.354 -1.146) 1.330 23.321 ( 1.471 -1.664 -2.287) 3.188 23.525 ( 2.100 1.677 2.130) 3.429 23.566 ( -0.796 -2.306 -1.420) 2.823 23.760 ( -0.457 4.449 3.187) 5.492 23.846 ( -0.366 -0.456 -2.551) 2.617 23.866 ( 2.654 -1.655 -0.758) 3.219 23.916 ( -0.626 -3.063 -3.264) 4.520 24.038 ( 0.149 0.245 0.880) 0.925 24.054 ( -0.264 -1.302 -0.539) 1.433 24.198 ( 0.404 1.133 0.522) 1.311 24.207 ( -0.914 0.425 -0.373) 1.075 24.274 ( 1.251 0.411 0.656) 1.471 24.291 ( -1.685 -0.790 -0.868) 2.054 24.393 ( -0.006 -0.565 0.741) 0.932 24.405 ( -1.072 -1.861 -0.364) 2.178 25.018 ( 1.535 0.751 2.706) 3.200 25.041 ( 2.247 -1.509 0.893) 2.850 25.224 ( -0.953 -0.084 -0.879) 1.299 25.231 ( -1.702 -0.702 -1.331) 2.272 25.387 ( 2.236 0.660 -0.730) 2.443 25.388 ( -0.972 0.608 -0.736) 1.362 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.514 13.589 3.380) 14.712 1.238 ( 2.435 5.019 5.040) 7.518 1.281 ( 1.740 -1.812 -2.566) 3.592 1.379 ( 1.604 -4.001 -4.569) 6.282 1.489 ( 5.080 4.579 -2.605) 7.318 1.613 ( -0.900 -3.598 -1.111) 3.871 1.653 ( -3.164 -0.415 -1.156) 3.394 1.713 ( 2.253 -3.849 -4.398) 6.264 1.790 ( 2.488 1.775 -0.132) 3.059 1.822 ( 3.637 6.025 -0.566) 7.060 1.879 ( 0.836 -4.990 2.355) 5.581 1.923 ( -0.079 -4.479 0.064) 4.480 2.076 ( 2.090 -0.252 -0.642) 2.201 2.089 ( 4.680 -1.569 -2.090) 5.360 2.190 ( 2.422 2.108 -5.261) 6.163 2.201 ( -5.583 -1.112 -0.738) 5.741 2.204 ( -6.476 0.848 2.340) 6.938 2.289 ( 1.949 -6.746 0.762) 7.063 2.518 ( -1.544 6.626 3.606) 7.700 2.533 ( -5.340 2.199 0.353) 5.786 2.558 ( -1.906 3.803 1.418) 4.484 2.655 ( -3.469 -1.883 -0.527) 3.982 2.693 ( 0.401 2.151 6.730) 7.077 2.795 ( 1.013 -1.227 4.526) 4.797 2.824 ( -0.106 1.361 3.639) 3.887 2.902 ( -0.457 -4.125 2.325) 4.757 3.007 ( 3.170 -0.305 2.884) 4.296 3.046 ( 1.843 -2.941 3.277) 4.774 3.241 ( -3.433 4.052 -4.840) 7.185 3.266 ( -4.032 4.062 -4.518) 7.292 3.373 ( 5.441 5.285 4.787) 8.970 3.438 ( -4.732 2.621 3.618) 6.508 3.488 ( -1.554 1.274 2.418) 3.144 3.506 ( 1.637 6.434 -6.642) 9.391 3.554 ( 1.142 -1.707 4.948) 5.358 3.667 ( -1.198 -5.938 -4.934) 7.813 3.750 ( -0.397 1.976 -1.854) 2.739 3.773 ( 1.297 -1.160 1.095) 2.056 3.842 ( -3.734 0.264 2.061) 4.273 3.941 ( -2.292 -5.730 0.338) 6.181 4.043 ( 3.733 1.030 2.638) 4.685 4.094 ( 0.053 -3.712 5.735) 6.832 4.125 ( 1.426 0.564 -4.228) 4.497 4.165 ( -1.034 -2.501 0.461) 2.745 4.191 ( -1.448 4.528 0.872) 4.834 4.282 ( -2.010 -1.460 -1.730) 3.027 4.296 ( -1.260 3.021 2.963) 4.415 4.328 ( -0.835 3.343 -0.332) 3.462 4.417 ( -0.989 -3.272 1.847) 3.885 4.473 ( -1.425 -6.376 -1.664) 6.742 4.599 ( -0.209 1.808 -0.349) 1.853 4.654 ( -2.105 -1.272 0.960) 2.640 4.733 ( -2.406 1.597 -2.695) 3.950 4.821 ( -3.512 -5.968 -4.172) 8.084 5.195 ( 5.988 3.630 -3.347) 7.762 5.266 ( 8.650 -0.614 -2.293) 8.970 5.279 ( 0.007 -0.175 -0.680) 0.702 5.310 ( 2.025 -1.406 -0.221) 2.475 5.538 ( 1.302 3.534 0.064) 3.767 5.586 ( 0.699 -0.891 0.006) 1.132 5.804 ( -0.193 1.461 0.582) 1.585 5.853 ( 1.353 -2.839 -0.692) 3.220 6.054 ( 0.792 1.223 -0.361) 1.501 6.085 ( 3.097 -1.793 -1.318) 3.814 6.477 ( -2.681 3.352 1.003) 4.408 6.511 ( -2.332 1.219 -1.637) 3.099 6.621 ( 0.976 -0.396 0.394) 1.125 6.664 ( 0.202 -3.351 -1.842) 3.829 6.931 ( 0.080 4.907 1.683) 5.188 6.997 ( 1.083 2.698 -3.767) 4.758 7.048 ( -1.278 -4.125 2.095) 4.800 7.106 ( -0.134 -5.280 -1.346) 5.450 7.723 ( 0.543 1.352 -1.150) 1.856 7.742 ( 0.965 -0.328 -1.155) 1.540 7.867 ( 0.488 2.176 0.868) 2.393 7.918 ( 0.894 -2.349 -1.795) 3.088 8.044 ( 0.842 1.102 0.546) 1.491 8.059 ( 1.193 -0.228 0.557) 1.336 8.382 ( -0.597 -0.718 1.558) 1.816 8.424 ( 0.253 -4.504 -0.752) 4.573 8.967 ( 0.644 1.917 1.062) 2.284 8.987 ( 0.453 0.318 -1.940) 2.017 9.081 ( 0.354 -0.982 -0.351) 1.101 9.090 ( 0.475 -1.641 -0.109) 1.712 9.427 ( -1.242 1.164 0.897) 1.924 9.451 ( -0.909 -1.248 0.900) 1.787 9.502 ( -0.151 2.266 -0.005) 2.271 9.540 ( -0.066 -1.592 -0.774) 1.772 9.792 ( 0.454 1.048 1.178) 1.640 9.816 ( 0.366 -1.290 -0.874) 1.600 9.924 ( -1.286 0.541 0.304) 1.428 9.930 ( -1.156 -0.081 -0.091) 1.163 11.805 ( 0.522 0.730 -0.138) 0.909 11.816 ( 0.437 -0.325 -0.958) 1.102 11.956 ( -1.499 1.749 -0.515) 2.361 11.983 ( -0.372 -0.599 -0.217) 0.738 12.086 ( -1.507 0.581 0.660) 1.745 12.102 ( 0.358 -0.905 1.782) 2.030 12.167 ( -1.892 2.784 -0.316) 3.381 12.220 ( -0.350 -2.154 -1.349) 2.566 12.860 ( -1.695 0.960 0.688) 2.065 12.891 ( -2.678 -1.775 0.418) 3.240 12.911 ( 0.737 0.903 0.639) 1.329 12.953 ( -0.979 -2.762 0.676) 3.007 13.106 ( 4.707 0.288 0.223) 4.721 13.111 ( 5.507 -0.298 -0.330) 5.525 13.376 ( 0.016 2.160 0.255) 2.175 13.401 ( 0.484 -0.267 -0.916) 1.069 13.627 ( 1.109 -0.367 -0.710) 1.367 13.630 ( 1.457 -0.639 -0.691) 1.734 13.787 ( -2.676 0.349 0.644) 2.774 13.805 ( -2.229 -1.298 1.055) 2.787 13.991 ( 0.139 5.134 2.101) 5.549 14.086 ( -1.871 -1.402 1.866) 2.991 14.113 ( 3.463 -0.367 -1.751) 3.898 14.176 ( 1.569 -3.954 2.030) 4.713 14.721 ( -1.216 4.619 0.351) 4.789 14.811 ( -0.379 -4.140 0.454) 4.182 15.058 ( 4.421 9.799 0.159) 10.751 15.207 ( 6.245 -3.705 -3.484) 8.054 15.385 ( -1.532 1.411 0.029) 2.083 15.412 ( -0.910 -0.649 0.682) 1.309 15.656 ( -4.451 0.679 0.078) 4.503 15.713 ( -2.905 -3.818 -1.064) 4.914 22.181 ( -1.056 4.695 0.031) 4.812 22.212 ( -1.053 2.594 -1.977) 3.427 22.431 ( -0.681 -0.808 0.071) 1.060 22.453 ( -0.515 -2.260 0.974) 2.514 22.624 ( -0.959 3.760 -0.988) 4.004 22.672 ( 1.003 3.160 -0.095) 3.317 22.690 ( -5.485 -1.803 -0.158) 5.776 22.771 ( -0.030 -5.224 3.710) 6.408 23.099 ( -1.230 2.330 5.414) 6.021 23.141 ( -2.592 -1.734 3.203) 4.471 23.299 ( -0.815 1.867 -2.054) 2.893 23.332 ( -0.882 -1.218 -1.216) 1.934 23.544 ( -0.476 0.939 -2.607) 2.812 23.561 ( 1.190 -0.597 0.421) 1.396 23.691 ( -3.512 5.597 0.808) 6.657 23.803 ( -4.056 -4.830 -1.086) 6.400 23.953 ( 4.075 -0.751 -2.706) 4.949 23.962 ( 4.592 -1.414 -1.150) 4.941 24.053 ( 1.209 -0.447 0.475) 1.374 24.057 ( 0.563 -0.876 -0.246) 1.071 24.191 ( -0.442 0.731 -0.415) 0.950 24.199 ( -0.449 0.077 0.385) 0.596 24.284 ( 1.246 1.735 -0.067) 2.137 24.314 ( 2.052 -0.995 1.042) 2.507 24.389 ( -0.116 0.149 1.112) 1.128 24.409 ( 1.335 -2.139 1.083) 2.744 24.937 ( -7.823 0.681 -0.359) 7.861 24.964 ( -7.815 -1.796 -0.993) 8.080 25.263 ( 3.508 0.417 1.423) 3.808 25.277 ( 5.024 -0.860 1.262) 5.251 25.417 ( 3.340 3.050 -1.969) 4.933 25.478 ( 5.657 -2.901 -2.869) 6.975 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 3.655 7.874 -1.157) 8.758 1.286 ( -1.111 -2.721 -5.161) 5.939 1.291 ( 2.453 2.878 -0.106) 3.783 1.382 ( -1.360 -0.911 -7.206) 7.389 1.517 ( -1.630 -0.844 -3.035) 3.546 1.539 ( -5.539 -3.536 -0.916) 6.635 1.650 ( 3.071 2.360 3.753) 5.393 1.716 ( -0.146 -0.273 -2.727) 2.745 1.822 ( -3.132 2.312 2.927) 4.871 1.852 ( 3.729 -1.688 2.343) 4.717 1.944 ( 5.252 2.573 1.510) 6.040 1.975 ( 2.608 0.402 3.143) 4.104 2.060 ( -3.126 0.877 0.260) 3.257 2.087 ( -3.641 -0.394 1.543) 3.974 2.157 ( 2.032 -2.809 -5.219) 6.266 2.183 ( 1.540 -0.551 -0.910) 1.872 2.248 ( 4.264 2.905 -3.876) 6.453 2.335 ( 1.916 -3.925 -1.033) 4.488 2.445 ( -2.883 0.435 -3.090) 4.248 2.471 ( -3.065 -0.137 -2.724) 4.103 2.511 ( -1.861 3.265 0.581) 3.803 2.581 ( -4.327 -2.210 2.047) 5.273 2.761 ( 3.047 5.617 5.870) 8.677 2.802 ( 0.256 0.246 2.797) 2.819 2.875 ( 7.295 3.283 4.549) 9.202 2.956 ( 4.669 -0.657 5.265) 7.068 3.014 ( -2.747 -0.056 4.466) 5.243 3.074 ( -0.628 -5.673 1.120) 5.817 3.160 ( -1.732 3.295 -3.566) 5.155 3.193 ( -2.622 0.205 -3.093) 4.060 3.359 ( -4.409 2.343 1.948) 5.359 3.396 ( -5.891 -0.518 1.682) 6.148 3.478 ( 2.589 7.658 -5.675) 9.876 3.503 ( 1.637 4.755 3.409) 6.075 3.607 ( 2.431 1.836 7.789) 8.363 3.697 ( 2.385 -4.478 -0.615) 5.111 3.746 ( 0.149 3.271 -0.418) 3.301 3.762 ( -0.916 1.332 2.027) 2.592 3.814 ( -0.612 -2.544 -0.927) 2.775 3.883 ( -3.542 -6.628 0.851) 7.563 4.072 ( -2.535 -1.297 6.088) 6.721 4.089 ( 0.701 -0.294 3.626) 3.705 4.116 ( -1.277 -0.600 -3.048) 3.358 4.144 ( 0.018 -0.545 -0.839) 1.001 4.209 ( 1.756 2.615 -0.490) 3.188 4.249 ( -2.459 0.092 -1.744) 3.016 4.290 ( 0.481 0.684 3.389) 3.490 4.336 ( 2.281 2.435 -0.822) 3.436 4.399 ( -2.100 -5.235 0.085) 5.641 4.417 ( -0.280 -7.407 3.861) 8.357 4.578 ( -2.338 2.319 1.534) 3.633 4.654 ( -0.331 -2.700 1.854) 3.292 4.671 ( -2.763 2.288 -4.260) 5.569 4.765 ( -1.221 -5.588 -8.968) 10.637 5.255 ( -0.422 1.975 0.000) 2.019 5.283 ( -0.384 -0.872 -1.552) 1.822 5.369 ( 5.982 3.458 -1.597) 7.092 5.420 ( 6.683 -0.868 -2.832) 7.310 5.552 ( -0.588 2.820 -0.204) 2.888 5.585 ( -1.153 -0.375 -0.331) 1.256 5.847 ( 4.813 2.961 0.753) 5.701 5.921 ( 5.076 -3.585 2.056) 6.546 6.049 ( -1.350 3.239 -1.351) 3.760 6.131 ( 1.351 -4.384 -3.495) 5.767 6.406 ( -4.329 2.566 2.175) 5.482 6.440 ( -4.217 -0.223 -1.532) 4.492 6.647 ( 1.423 -0.734 -1.657) 2.305 6.666 ( -0.115 -2.192 -1.356) 2.580 6.930 ( -0.260 4.654 3.011) 5.549 7.015 ( 0.687 3.572 -4.233) 5.581 7.029 ( -0.517 -4.855 2.506) 5.488 7.100 ( -0.313 -4.539 -2.154) 5.034 7.741 ( 1.174 1.213 -1.585) 2.316 7.757 ( 0.451 -0.281 -1.349) 1.450 7.885 ( 1.144 2.235 0.847) 2.650 7.930 ( 0.407 -1.740 -1.437) 2.293 8.067 ( 1.258 1.124 0.583) 1.785 8.079 ( 0.744 0.048 0.606) 0.960 8.376 ( -0.039 -0.637 1.836) 1.944 8.424 ( -0.280 -4.841 -0.858) 4.925 8.978 ( 0.279 1.493 1.522) 2.151 9.000 ( 0.891 -0.367 -1.762) 2.008 9.088 ( 0.298 -0.666 -0.275) 0.780 9.094 ( -0.015 -1.040 -0.135) 1.049 9.415 ( 0.125 1.425 0.954) 1.719 9.444 ( 0.335 -1.362 0.845) 1.637 9.490 ( -1.010 1.914 -0.620) 2.251 9.525 ( -1.372 -1.485 -0.787) 2.170 9.796 ( -0.174 0.946 1.838) 2.074 9.819 ( -0.122 -1.309 -0.063) 1.317 9.901 ( -0.761 0.451 -0.317) 0.940 9.909 ( -0.752 -0.304 -0.726) 1.089 11.819 ( 0.941 0.992 -0.251) 1.390 11.832 ( 1.128 0.051 -0.713) 1.336 11.925 ( -1.488 1.097 -0.125) 1.853 11.955 ( -2.158 -1.612 -0.077) 2.695 12.065 ( -0.649 2.235 2.191) 3.196 12.109 ( 0.189 -1.282 1.487) 1.972 12.140 ( -0.783 3.087 -0.630) 3.246 12.207 ( -0.794 -2.815 -1.764) 3.415 12.831 ( -1.071 0.355 0.701) 1.328 12.846 ( -1.665 -1.077 0.335) 2.011 12.937 ( 1.247 -0.513 0.668) 1.505 12.956 ( 0.673 -2.229 -0.082) 2.330 13.177 ( 2.565 0.897 1.026) 2.905 13.189 ( 2.408 -0.397 0.477) 2.487 13.379 ( 0.250 2.408 -0.559) 2.485 13.408 ( 0.229 -0.408 -2.015) 2.069 13.654 ( 1.755 -0.138 -0.485) 1.826 13.663 ( 1.975 -1.023 -0.647) 2.317 13.735 ( -2.572 0.172 0.973) 2.755 13.752 ( -3.020 -1.424 1.116) 3.521 14.009 ( 1.177 6.030 2.378) 6.588 14.067 ( -0.248 2.960 0.560) 3.023 14.168 ( 1.082 -2.782 2.192) 3.703 14.205 ( 2.244 -3.813 -2.422) 5.044 14.718 ( 0.824 4.585 -1.232) 4.819 14.783 ( -2.286 -1.013 -0.679) 2.590 15.166 ( 5.973 5.706 2.603) 8.661 15.300 ( 1.816 -5.833 2.061) 6.448 15.370 ( 0.710 1.959 -1.943) 2.849 15.418 ( 2.734 -2.475 -1.211) 3.882 15.554 ( -5.658 2.610 -1.597) 6.432 15.628 ( -5.814 -3.904 -0.176) 7.005 22.162 ( -0.802 4.244 -0.183) 4.323 22.184 ( -1.468 2.768 -1.414) 3.438 22.410 ( -1.302 -1.263 0.130) 1.819 22.422 ( -2.174 -2.206 1.163) 3.308 22.610 ( -2.177 3.446 2.503) 4.783 22.622 ( 0.447 2.406 -1.024) 2.653 22.710 ( 2.175 -1.397 -1.336) 2.910 22.753 ( -1.565 -4.696 2.502) 5.547 23.100 ( 1.017 1.413 5.235) 5.517 23.120 ( 0.152 -0.632 3.725) 3.781 23.259 ( -2.700 2.241 -2.154) 4.118 23.288 ( -3.142 -0.539 -1.715) 3.620 23.555 ( 1.510 1.415 -2.479) 3.229 23.574 ( 0.221 -0.067 -0.596) 0.639 23.652 ( -0.961 2.651 1.207) 3.067 23.729 ( -3.214 -4.024 -1.952) 5.508 24.006 ( 2.039 0.536 -0.314) 2.131 24.029 ( 2.010 -1.430 -1.017) 2.668 24.066 ( 0.360 -0.351 0.130) 0.519 24.077 ( 0.829 -1.356 -0.761) 1.763 24.193 ( 0.618 0.233 -0.871) 1.093 24.193 ( 0.049 0.228 -0.154) 0.279 24.318 ( 1.671 1.902 0.077) 2.532 24.333 ( 0.070 0.185 0.774) 0.798 24.408 ( 2.073 1.451 2.412) 3.496 24.451 ( 2.815 -2.730 0.597) 3.966 24.787 ( -7.120 -0.345 -1.048) 7.205 24.808 ( -7.750 -2.197 -0.737) 8.089 25.332 ( 3.227 1.944 3.311) 5.015 25.375 ( 4.618 -2.067 2.754) 5.760 25.476 ( 2.458 3.586 -3.677) 5.693 25.555 ( 2.223 -4.021 -4.470) 6.410 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.777 2.175 -0.318) 4.370 1.250 ( -1.124 -3.994 -2.184) 4.688 1.311 ( 0.334 4.131 -6.321) 7.558 1.355 ( 0.208 -0.821 -7.935) 7.981 1.462 ( -2.818 1.286 1.633) 3.502 1.497 ( 0.131 -1.837 -0.920) 2.059 1.680 ( -1.852 2.300 4.693) 5.545 1.716 ( -0.720 -0.185 1.196) 1.408 1.853 ( 7.121 3.132 5.778) 9.691 1.913 ( 1.539 -2.491 3.065) 4.239 1.951 ( -3.703 0.669 -2.052) 4.286 1.975 ( -0.664 -1.429 -2.015) 2.558 2.049 ( 2.682 2.248 2.387) 4.236 2.056 ( -2.268 2.853 1.602) 3.981 2.158 ( -3.059 -0.385 2.990) 4.295 2.178 ( -0.512 -3.275 -1.042) 3.474 2.290 ( -4.078 4.583 0.362) 6.145 2.364 ( 2.132 -1.852 -1.250) 3.088 2.411 ( -0.359 -0.052 -6.978) 6.987 2.433 ( 1.296 -1.827 -6.121) 6.518 2.517 ( -1.182 0.389 0.858) 1.512 2.534 ( 3.331 -1.337 -0.527) 3.628 2.819 ( 3.164 2.032 2.380) 4.450 2.852 ( 3.607 -1.557 0.283) 3.939 2.920 ( -0.809 5.568 2.685) 6.234 2.961 ( -4.386 1.848 -0.064) 4.760 3.067 ( -1.274 1.278 3.464) 3.906 3.073 ( 4.451 0.008 2.637) 5.174 3.143 ( -1.646 2.674 0.596) 3.196 3.151 ( 2.078 2.801 -0.311) 3.502 3.304 ( -0.975 -1.919 -0.138) 2.157 3.315 ( -2.502 -1.600 -0.877) 3.097 3.492 ( -0.746 6.489 3.186) 7.267 3.542 ( 1.630 4.253 0.297) 4.564 3.648 ( 1.701 0.194 6.262) 6.492 3.723 ( -0.972 5.433 4.408) 7.063 3.728 ( -1.623 -8.520 4.232) 9.651 3.769 ( 2.583 2.422 -2.255) 4.198 3.824 ( -1.203 -2.577 0.450) 2.879 3.830 ( 1.135 -3.195 -4.130) 5.343 4.013 ( -3.137 0.461 4.607) 5.593 4.088 ( 0.005 -5.677 4.128) 7.019 4.128 ( 2.920 2.631 -4.006) 5.612 4.164 ( 0.247 0.979 3.354) 3.503 4.193 ( -1.232 -0.594 -1.461) 2.002 4.228 ( 0.430 0.955 -0.372) 1.111 4.301 ( 0.115 0.387 2.571) 2.603 4.345 ( -0.855 -4.428 -1.093) 4.640 4.427 ( 5.663 0.434 0.788) 5.734 4.462 ( 1.124 -1.913 -1.641) 2.760 4.547 ( -1.038 -2.915 3.374) 4.578 4.564 ( -3.442 -3.275 0.114) 4.752 4.688 ( 0.860 2.461 -4.515) 5.214 4.756 ( 0.562 -4.665 -9.126) 10.264 5.248 ( -0.034 0.676 -0.118) 0.687 5.263 ( -0.664 -0.655 -1.484) 1.753 5.447 ( -0.271 3.161 1.637) 3.570 5.473 ( -3.411 0.708 -0.797) 3.574 5.546 ( 1.860 1.412 -0.953) 2.522 5.553 ( -0.096 1.048 -1.381) 1.736 5.957 ( 5.246 1.718 0.650) 5.558 5.968 ( -2.797 3.430 -0.654) 4.474 6.031 ( 1.068 -1.282 3.049) 3.476 6.101 ( -4.578 -5.209 -3.732) 7.875 6.353 ( -0.193 2.992 2.116) 3.670 6.402 ( 1.028 -1.724 -1.927) 2.783 6.655 ( -0.751 -0.720 -1.227) 1.608 6.664 ( 0.282 -1.591 -1.858) 2.462 6.928 ( -0.108 4.978 3.731) 6.222 7.020 ( 0.430 2.303 -3.480) 4.195 7.034 ( 0.476 -4.353 1.318) 4.573 7.094 ( -0.055 -3.939 -3.085) 5.003 7.751 ( -0.822 0.605 -0.731) 1.256 7.755 ( 0.055 0.256 -1.125) 1.155 7.904 ( 0.729 1.675 0.581) 1.917 7.930 ( -0.324 -0.531 -1.757) 1.863 8.084 ( -0.052 0.809 0.348) 0.882 8.087 ( 0.571 0.464 0.237) 0.773 8.383 ( 0.493 -1.584 2.043) 2.631 8.414 ( -0.544 -4.330 -0.980) 4.472 8.973 ( -0.887 1.747 2.216) 2.958 9.010 ( -0.022 -1.537 -0.744) 1.708 9.090 ( 0.162 -0.036 -0.639) 0.660 9.102 ( 0.940 -0.993 -1.424) 1.974 9.432 ( 1.289 1.869 1.269) 2.601 9.455 ( 0.025 0.798 -0.508) 0.946 9.475 ( 0.278 -0.781 0.357) 0.903 9.493 ( -1.621 -1.331 -0.996) 2.322 9.786 ( -0.948 0.817 3.172) 3.410 9.808 ( -1.008 -1.347 1.720) 2.406 9.900 ( 0.614 0.456 -1.318) 1.524 9.909 ( 0.733 -0.461 -1.940) 2.124 11.832 ( -0.078 1.621 0.149) 1.630 11.845 ( 0.010 0.568 -0.969) 1.124 11.914 ( 0.398 -0.578 0.409) 0.812 11.923 ( -0.413 -1.222 -0.237) 1.311 12.061 ( 0.051 3.284 2.707) 4.256 12.108 ( -0.064 1.624 -0.781) 1.803 12.145 ( 1.154 -1.042 1.090) 1.899 12.192 ( -0.604 -2.768 -2.417) 3.724 12.823 ( 0.193 -0.240 0.710) 0.774 12.828 ( -0.239 -0.709 0.333) 0.819 12.952 ( 0.243 -0.769 0.560) 0.981 12.963 ( -0.074 -1.873 -0.409) 1.918 13.199 ( -0.364 0.747 1.958) 2.127 13.205 ( -0.503 0.108 1.457) 1.545 13.385 ( 0.365 2.026 -0.936) 2.261 13.406 ( -0.333 -0.055 -2.752) 2.773 13.678 ( -1.555 -0.383 0.500) 1.677 13.680 ( -0.415 -0.583 0.212) 0.746 13.711 ( 0.067 -0.470 0.634) 0.792 13.718 ( 1.781 -1.111 0.137) 2.104 14.014 ( -1.030 5.564 3.558) 6.684 14.074 ( 0.482 2.980 0.076) 3.020 14.158 ( -1.247 0.712 2.118) 2.558 14.259 ( 2.839 -5.986 -5.202) 8.423 14.722 ( -2.214 3.884 0.928) 4.566 14.752 ( 1.050 1.156 -2.022) 2.555 15.260 ( 2.336 0.143 3.354) 4.090 15.301 ( 1.199 -3.839 0.059) 4.022 15.377 ( -4.237 4.498 2.947) 6.846 15.449 ( 1.481 -0.162 -0.715) 1.653 15.501 ( -5.495 -1.400 -1.538) 5.876 15.545 ( 4.766 -3.428 -3.373) 6.771 22.156 ( 0.260 3.803 -0.272) 3.821 22.165 ( -0.300 3.171 -1.015) 3.343 22.385 ( -0.942 -1.217 1.871) 2.422 22.403 ( 0.168 -2.880 0.239) 2.895 22.590 ( -0.470 3.053 2.654) 4.072 22.629 ( 0.032 1.032 0.071) 1.035 22.710 ( -1.154 0.280 1.201) 1.689 22.775 ( 3.212 -4.258 -3.428) 6.340 23.139 ( 2.428 0.862 4.434) 5.128 23.146 ( 2.530 0.192 4.214) 4.919 23.214 ( -1.545 1.579 -2.438) 3.290 23.233 ( -2.132 -0.203 -3.065) 3.739 23.561 ( -1.413 2.089 -0.216) 2.531 23.587 ( 1.377 -0.388 -2.437) 2.825 23.649 ( 0.581 0.897 1.194) 1.602 23.692 ( -0.417 -2.992 -2.406) 3.862 24.021 ( -0.666 0.581 1.688) 1.905 24.040 ( -0.921 -1.321 0.286) 1.635 24.073 ( 0.508 -0.127 -0.765) 0.927 24.083 ( 0.243 -1.030 -1.527) 1.858 24.197 ( 0.172 0.710 -0.623) 0.960 24.205 ( 0.487 -0.125 -1.348) 1.439 24.329 ( -0.495 1.215 0.781) 1.527 24.336 ( 0.380 0.631 0.211) 0.767 24.456 ( 2.058 1.919 1.277) 3.090 24.492 ( 0.737 -1.451 -1.912) 2.510 24.693 ( -2.810 -1.613 2.074) 3.846 24.705 ( -1.170 -2.800 0.766) 3.130 25.374 ( 0.753 3.208 4.033) 5.208 25.436 ( 1.247 -2.343 2.376) 3.562 25.498 ( 0.159 1.845 -3.839) 4.262 25.554 ( -1.796 -3.135 -4.853) 6.050 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -1.307 6.498 2.148) 6.968 1.256 ( 2.321 -2.916 -0.166) 3.731 1.304 ( -2.119 4.095 -3.660) 5.887 1.351 ( -1.222 2.614 -2.813) 4.030 1.434 ( -0.105 0.041 3.115) 3.117 1.523 ( 3.303 -5.609 1.547) 6.691 1.617 ( -3.917 2.324 2.940) 5.421 1.701 ( -3.061 -4.919 0.857) 5.857 1.796 ( -5.584 3.760 2.545) 7.197 1.887 ( -5.494 -4.500 1.836) 7.335 1.997 ( -4.534 2.012 -2.736) 5.665 2.011 ( -3.383 -1.751 2.463) 4.536 2.017 ( 3.620 1.328 3.003) 4.887 2.064 ( 7.356 -2.708 2.253) 8.156 2.126 ( -0.399 5.365 0.953) 5.464 2.171 ( 0.173 4.552 -0.230) 4.561 2.221 ( 0.780 1.072 -5.038) 5.210 2.306 ( -4.126 -6.181 -0.113) 7.432 2.485 ( 5.324 -0.801 -4.775) 7.196 2.493 ( 3.211 0.385 -2.347) 3.996 2.527 ( 1.866 2.120 -2.456) 3.743 2.596 ( 2.564 -2.866 0.215) 3.852 2.808 ( -2.278 3.189 1.936) 4.371 2.845 ( -0.417 -0.820 -1.776) 2.000 2.960 ( -2.859 5.871 1.720) 6.753 2.969 ( -1.461 2.136 1.655) 3.072 3.006 ( 2.703 0.413 3.443) 4.396 3.086 ( -0.979 -3.973 3.961) 5.695 3.125 ( 1.240 3.601 -2.190) 4.394 3.172 ( -1.059 0.649 -0.333) 1.286 3.260 ( -2.903 4.763 4.568) 7.210 3.371 ( 5.344 -2.104 3.677) 6.820 3.497 ( 2.581 1.812 -4.409) 5.421 3.548 ( -1.578 2.237 0.317) 2.756 3.641 ( -3.074 -3.815 1.950) 5.274 3.695 ( 1.448 1.797 1.165) 2.585 3.738 ( 0.173 6.428 3.989) 7.567 3.814 ( 0.436 3.115 -3.948) 5.047 3.832 ( 1.667 -3.734 3.116) 5.141 3.853 ( 2.262 -2.968 -1.229) 3.929 3.983 ( -0.410 0.389 5.552) 5.581 4.088 ( -0.880 -2.705 1.261) 3.112 4.181 ( 1.307 -2.174 2.882) 3.839 4.187 ( 0.271 -0.532 -0.199) 0.629 4.201 ( 4.614 0.972 -4.217) 6.326 4.246 ( 1.785 -1.760 -4.490) 5.143 4.303 ( -0.042 3.272 1.217) 3.491 4.345 ( 0.519 -1.672 -1.068) 2.051 4.435 ( -1.709 -2.563 -1.954) 3.648 4.469 ( -3.038 -5.412 -0.185) 6.209 4.550 ( 5.173 1.373 3.515) 6.403 4.603 ( 2.828 -2.206 4.582) 5.818 4.687 ( -0.266 3.082 -5.773) 6.550 4.783 ( 2.884 -6.188 -8.486) 10.892 5.245 ( -1.028 0.574 0.404) 1.245 5.266 ( 0.063 -1.105 -0.112) 1.112 5.358 ( -5.878 2.742 -0.206) 6.490 5.375 ( -5.602 1.207 0.745) 5.779 5.551 ( -1.186 1.601 -0.241) 2.007 5.574 ( -0.483 -0.430 0.677) 0.936 5.876 ( -4.274 5.037 -1.890) 6.871 5.961 ( -5.677 -1.687 0.020) 5.923 6.047 ( 1.264 -2.432 -2.740) 3.876 6.056 ( 0.539 -2.102 3.267) 3.922 6.401 ( 4.046 3.792 1.492) 5.743 6.452 ( 3.379 -1.084 -1.509) 3.856 6.641 ( -0.472 -0.147 -0.860) 0.992 6.659 ( -0.719 -1.763 -0.931) 2.119 6.931 ( 0.136 5.331 2.930) 6.085 7.020 ( -0.359 2.955 -4.616) 5.493 7.047 ( 0.839 -5.829 2.190) 6.283 7.096 ( 0.331 -4.235 -3.002) 5.201 7.726 ( -1.414 1.399 -0.296) 2.011 7.747 ( -0.806 -0.583 -0.391) 1.069 7.909 ( -0.322 1.006 0.290) 1.096 7.917 ( -0.831 0.250 -2.194) 2.359 8.074 ( -0.955 1.391 -0.075) 1.689 8.090 ( -0.394 -0.456 -0.061) 0.606 8.392 ( 0.292 -2.453 1.910) 3.123 8.406 ( -0.153 -3.572 -0.799) 3.664 8.954 ( -0.975 2.321 1.978) 3.202 9.002 ( -0.568 -2.012 -0.357) 2.121 9.092 ( -0.128 0.653 -1.021) 1.219 9.119 ( 0.517 -1.602 -1.808) 2.470 9.437 ( -0.247 1.819 -0.723) 1.973 9.465 ( -0.701 -0.700 -0.215) 1.014 9.473 ( 1.692 0.907 -0.134) 1.924 9.499 ( 1.123 -1.333 1.424) 2.251 9.771 ( -0.614 0.787 3.463) 3.604 9.793 ( -0.399 -1.396 1.980) 2.456 9.916 ( 0.989 0.663 -1.533) 1.941 9.929 ( 1.272 -0.615 -1.570) 2.112 11.818 ( -0.938 1.396 0.032) 1.682 11.834 ( -0.888 0.007 -0.921) 1.279 11.924 ( 1.076 0.542 -0.049) 1.206 11.948 ( 1.797 -1.468 0.380) 2.351 12.068 ( 0.456 3.844 2.031) 4.371 12.114 ( 0.707 1.076 -0.497) 1.380 12.173 ( 1.430 -2.240 -0.261) 2.671 12.188 ( 0.609 -1.929 -1.895) 2.772 12.836 ( 1.146 -0.175 0.458) 1.246 12.840 ( 1.434 -0.481 0.827) 1.724 12.945 ( -1.117 -1.029 0.030) 1.519 12.953 ( -0.535 -1.589 -0.176) 1.686 13.170 ( -2.725 0.668 1.837) 3.354 13.173 ( -3.121 0.355 1.559) 3.507 13.389 ( 0.069 1.384 -0.334) 1.425 13.396 ( -0.354 0.602 -2.062) 2.177 13.639 ( -2.076 -0.236 0.848) 2.255 13.647 ( -1.918 -0.991 0.852) 2.321 13.746 ( 2.470 0.249 -0.165) 2.488 13.767 ( 3.056 -1.910 -0.070) 3.604 13.986 ( -1.658 4.770 2.960) 5.854 14.061 ( -1.913 -1.642 3.671) 4.453 14.143 ( -0.395 6.198 -1.861) 6.484 14.287 ( 0.070 -7.156 -4.536) 8.473 14.690 ( -0.355 5.386 1.074) 5.504 14.777 ( 1.188 -2.693 -0.126) 2.946 15.204 ( -6.959 6.617 -0.384) 9.610 15.312 ( -3.695 0.477 2.167) 4.310 15.349 ( -1.708 -3.714 -1.394) 4.319 15.370 ( 1.748 -2.659 2.054) 3.787 15.554 ( 5.640 3.654 -1.414) 6.868 15.647 ( 5.080 -4.885 -1.409) 7.187 22.170 ( 1.137 3.836 -0.297) 4.012 22.173 ( 1.091 3.560 -1.029) 3.863 22.384 ( 0.635 -0.909 2.068) 2.346 22.420 ( 1.295 -4.102 1.322) 4.500 22.587 ( 0.052 2.689 2.078) 3.399 22.630 ( 0.652 -1.256 1.321) 1.936 22.702 ( 0.187 5.664 -1.988) 6.005 22.831 ( 2.543 -6.231 -3.259) 7.478 23.175 ( 0.578 1.920 1.285) 2.381 23.192 ( 0.931 0.245 -0.797) 1.249 23.219 ( 1.636 0.549 -1.781) 2.480 23.234 ( 4.154 -0.742 2.076) 4.703 23.523 ( -2.282 3.791 -0.063) 4.425 23.592 ( -0.706 -2.543 -1.947) 3.280 23.681 ( 2.287 0.061 0.256) 2.302 23.708 ( 2.276 -2.499 -1.685) 3.777 23.986 ( -2.850 0.612 1.051) 3.098 24.009 ( -2.184 -1.351 0.666) 2.653 24.073 ( -0.633 -0.140 -0.453) 0.791 24.084 ( -0.409 -1.205 -1.027) 1.635 24.194 ( -0.353 1.111 -0.882) 1.462 24.208 ( 0.023 -0.309 -1.412) 1.446 24.314 ( -1.178 1.827 0.365) 2.204 24.337 ( -0.286 -0.279 0.579) 0.703 24.449 ( -2.240 0.716 -1.127) 2.607 24.477 ( -1.892 -1.571 -2.203) 3.302 24.725 ( 6.219 0.757 4.423) 7.669 24.766 ( 6.306 -2.935 3.105) 7.617 25.358 ( -2.669 3.192 2.328) 4.767 25.416 ( -3.409 -1.916 -0.332) 3.924 25.472 ( -3.183 0.309 -2.683) 4.175 25.503 ( -2.587 -1.968 -2.335) 4.002 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.994 10.520 3.669) 11.185 1.234 ( -5.339 10.092 2.380) 11.663 1.271 ( -4.130 9.001 1.176) 9.973 1.330 ( 2.134 -5.851 -2.815) 6.834 1.467 ( 4.026 -6.351 -2.000) 7.781 1.488 ( -6.335 -2.455 8.008) 10.502 1.614 ( 1.158 -3.232 -0.110) 3.435 1.661 ( 2.299 -4.861 1.655) 5.627 1.731 ( -1.655 1.477 3.706) 4.319 1.783 ( -3.556 -2.290 1.784) 4.590 1.924 ( -3.818 1.126 0.295) 3.992 1.975 ( -0.569 -3.683 -1.726) 4.107 2.064 ( 3.580 0.508 2.506) 4.399 2.094 ( -0.861 1.523 -0.927) 1.980 2.106 ( -3.072 1.912 -2.348) 4.313 2.181 ( -4.216 -4.280 0.807) 6.062 2.274 ( 5.139 0.285 -2.817) 5.868 2.320 ( 4.886 -3.508 -3.587) 7.003 2.525 ( 0.354 8.652 6.345) 10.735 2.578 ( 3.814 0.610 -3.979) 5.545 2.590 ( 5.127 0.134 -3.316) 6.108 2.651 ( 3.126 -2.867 0.367) 4.258 2.767 ( -2.871 4.625 3.639) 6.548 2.844 ( -1.317 -1.354 -0.687) 2.010 2.883 ( -5.035 5.833 0.466) 7.719 2.916 ( -0.672 2.737 -0.823) 2.936 2.987 ( -3.274 -2.332 2.449) 4.707 3.047 ( -2.934 -3.272 3.751) 5.778 3.152 ( 0.427 6.361 4.435) 7.766 3.225 ( 5.886 0.147 -3.668) 6.937 3.282 ( 3.828 0.232 4.986) 6.290 3.422 ( 0.019 -10.125 10.923) 14.894 3.513 ( -1.361 8.270 -4.740) 9.629 3.555 ( 0.723 2.348 -4.092) 4.773 3.596 ( 0.120 -0.895 -2.826) 2.967 3.705 ( -0.664 2.415 -0.535) 2.561 3.736 ( -0.345 3.510 -1.952) 4.031 3.838 ( 2.296 2.996 2.000) 4.272 3.849 ( -0.737 -7.185 -3.816) 8.169 3.909 ( 5.178 -3.607 1.522) 6.491 3.988 ( -0.637 2.708 5.396) 6.071 4.052 ( -2.823 -0.956 3.993) 4.983 4.170 ( -1.365 -0.609 -2.826) 3.197 4.203 ( -0.007 -2.912 -6.837) 7.431 4.260 ( 1.367 3.836 0.003) 4.072 4.280 ( 0.117 4.680 2.121) 5.140 4.317 ( 3.311 0.724 -3.396) 4.798 4.364 ( 0.268 -1.480 0.820) 1.713 4.411 ( -1.063 -2.344 -1.479) 2.968 4.422 ( -1.327 -3.952 1.143) 4.322 4.612 ( 1.570 -0.017 1.525) 2.189 4.663 ( 2.342 -3.003 1.265) 4.013 4.718 ( 4.668 3.157 -3.613) 6.694 4.835 ( 2.171 -7.671 -5.052) 9.438 5.158 ( -5.641 2.750 0.053) 6.276 5.216 ( -5.723 -2.117 1.384) 6.257 5.291 ( -1.256 2.294 -1.552) 3.041 5.323 ( -1.412 -0.765 -1.723) 2.355 5.517 ( -0.597 2.140 1.814) 2.869 5.548 ( -1.395 -0.891 3.361) 3.746 5.838 ( -0.102 1.787 -2.557) 3.121 5.883 ( -2.142 -2.224 -2.796) 4.166 6.044 ( -1.046 -0.205 0.655) 1.251 6.053 ( -1.275 -0.939 1.414) 2.123 6.473 ( 2.953 3.753 1.330) 4.957 6.503 ( 1.788 1.424 -1.067) 2.523 6.634 ( -0.858 -1.269 1.046) 1.855 6.647 ( 0.416 -1.508 -2.147) 2.657 6.932 ( -0.181 5.590 1.674) 5.838 7.003 ( -1.018 2.619 -4.146) 5.008 7.063 ( 0.607 -5.580 1.945) 5.940 7.101 ( 0.283 -5.226 -2.099) 5.639 7.709 ( -0.151 1.668 -0.007) 1.675 7.732 ( -0.526 -0.552 -0.231) 0.797 7.893 ( -1.216 0.664 0.328) 1.424 7.903 ( -0.424 -0.286 -2.485) 2.538 8.053 ( -1.030 1.264 -0.256) 1.650 8.071 ( -1.516 -0.779 -0.217) 1.718 8.396 ( 0.021 -2.379 1.589) 2.861 8.408 ( 0.286 -3.363 -0.506) 3.413 8.945 ( -0.034 2.732 1.499) 3.117 8.993 ( -0.321 -1.420 -0.882) 1.703 9.082 ( -0.667 0.372 -0.877) 1.163 9.112 ( -0.996 -2.008 -1.696) 2.810 9.444 ( 0.938 1.381 -0.526) 1.751 9.461 ( 0.003 -0.258 0.160) 0.303 9.503 ( 1.428 0.136 -0.391) 1.487 9.510 ( -0.055 -0.619 1.775) 1.881 9.770 ( 0.279 1.057 2.784) 2.991 9.796 ( 0.530 -1.538 0.974) 1.896 9.932 ( 0.671 0.987 -0.816) 1.446 9.948 ( 0.678 -0.654 -0.992) 1.368 11.805 ( -0.432 1.047 -0.042) 1.133 11.819 ( -0.468 -0.362 -1.228) 1.363 11.948 ( 1.286 1.406 0.228) 1.919 11.974 ( 0.764 -0.895 0.485) 1.273 12.080 ( 0.667 2.918 0.956) 3.143 12.124 ( 0.058 -0.714 -0.344) 0.795 12.196 ( 1.395 -0.635 -2.471) 2.908 12.207 ( 0.694 -1.493 -0.202) 1.659 12.863 ( 1.340 0.202 0.729) 1.539 12.883 ( 2.503 -1.572 1.178) 3.182 12.921 ( -0.301 1.133 -0.477) 1.265 12.957 ( 1.358 -2.144 0.093) 2.540 13.088 ( -5.557 0.842 1.321) 5.774 13.102 ( -4.490 -0.481 0.866) 4.598 13.385 ( -0.373 1.316 0.380) 1.420 13.392 ( -0.096 0.647 -0.905) 1.117 13.611 ( -0.833 -0.079 0.641) 1.054 13.621 ( -0.826 -1.000 0.180) 1.309 13.793 ( 2.222 0.714 0.131) 2.337 13.822 ( 2.097 -2.342 -0.281) 3.156 13.973 ( 0.657 2.850 3.105) 4.265 14.027 ( -1.223 -2.074 4.699) 5.280 14.129 ( -0.957 5.409 -1.965) 5.834 14.253 ( -3.256 -6.636 -3.016) 7.984 14.714 ( 2.560 4.389 0.979) 5.174 14.793 ( 0.054 -3.521 1.894) 3.999 15.080 ( -4.749 8.253 -1.145) 9.590 15.181 ( -6.649 -1.478 -1.969) 7.091 15.380 ( 2.499 1.535 0.429) 2.964 15.412 ( 1.216 -1.011 0.722) 1.738 15.653 ( 4.361 1.324 0.040) 4.558 15.721 ( 2.647 -4.764 -1.384) 5.623 22.191 ( 0.791 4.335 0.032) 4.407 22.199 ( 1.510 3.572 -1.653) 4.215 22.406 ( 1.416 -1.093 1.919) 2.623 22.439 ( 0.400 -4.064 2.083) 4.584 22.604 ( 1.715 3.265 0.968) 3.813 22.656 ( 1.319 -1.376 1.469) 2.406 22.709 ( 0.864 6.181 -1.996) 6.552 22.855 ( -0.166 -7.078 -3.186) 7.764 23.177 ( -0.618 2.691 0.889) 2.901 23.205 ( 0.872 -0.053 -3.302) 3.415 23.269 ( 2.458 0.619 -0.160) 2.540 23.303 ( 1.835 -2.257 0.738) 3.001 23.497 ( 0.178 3.801 1.374) 4.045 23.573 ( -0.663 -3.779 -0.615) 3.885 23.717 ( 2.016 1.697 -1.116) 2.862 23.779 ( 4.666 -3.888 0.823) 6.129 23.924 ( -3.894 1.415 -0.518) 4.175 23.960 ( -2.843 -1.790 -0.661) 3.424 24.051 ( -1.378 0.204 0.178) 1.404 24.067 ( -1.010 -1.314 -0.699) 1.799 24.191 ( 0.173 1.338 -0.266) 1.375 24.211 ( 0.354 -0.643 -0.751) 1.050 24.284 ( -1.801 2.494 -0.098) 3.078 24.324 ( -1.246 -1.177 0.135) 1.719 24.407 ( -1.669 0.301 -0.547) 1.782 24.434 ( -2.019 -2.452 -1.299) 3.431 24.892 ( 9.778 0.739 3.706) 10.482 24.912 ( 8.151 -1.125 3.420) 8.911 25.286 ( -4.330 1.321 -0.535) 4.559 25.320 ( -5.905 -1.962 -1.760) 6.466 25.404 ( -3.067 2.175 -1.092) 3.915 25.444 ( -3.680 -1.591 -0.386) 4.028 =================== 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 3/23400 10.0 81.703 94.279 52.746 0.000 -9.293 0.000 3/23400 20.0 17.647 19.996 13.364 0.000 -2.101 0.000 3/23400 30.0 8.436 9.181 6.717 0.000 -1.056 0.000 3/23400 40.0 5.343 5.707 4.382 0.000 -0.687 0.000 3/23400 50.0 3.881 4.115 3.254 0.000 -0.503 0.000 3/23400 60.0 3.047 3.222 2.597 0.000 -0.395 0.000 3/23400 70.0 2.512 2.655 2.166 0.000 -0.325 0.000 3/23400 80.0 2.139 2.262 1.862 0.000 -0.276 0.000 3/23400 90.0 1.864 1.973 1.634 0.000 -0.240 0.000 3/23400 100.0 1.653 1.751 1.456 0.000 -0.213 0.000 3/23400 110.0 1.486 1.576 1.314 0.000 -0.191 0.000 3/23400 120.0 1.350 1.433 1.198 0.000 -0.173 0.000 3/23400 130.0 1.238 1.314 1.100 0.000 -0.159 0.000 3/23400 140.0 1.143 1.214 1.018 0.000 -0.146 0.000 3/23400 150.0 1.062 1.129 0.947 0.000 -0.136 0.000 3/23400 160.0 0.992 1.055 0.886 0.000 -0.127 0.000 3/23400 170.0 0.931 0.990 0.832 0.000 -0.119 0.000 3/23400 180.0 0.877 0.933 0.785 0.000 -0.112 0.000 3/23400 190.0 0.830 0.883 0.743 0.000 -0.106 0.000 3/23400 200.0 0.787 0.838 0.705 0.000 -0.100 0.000 3/23400 210.0 0.749 0.797 0.671 0.000 -0.095 0.000 3/23400 220.0 0.715 0.760 0.640 0.000 -0.091 0.000 3/23400 230.0 0.684 0.727 0.613 0.000 -0.087 0.000 3/23400 240.0 0.655 0.697 0.587 0.000 -0.083 0.000 3/23400 250.0 0.629 0.669 0.564 0.000 -0.079 0.000 3/23400 260.0 0.605 0.643 0.542 0.000 -0.076 0.000 3/23400 270.0 0.583 0.619 0.522 0.000 -0.073 0.000 3/23400 280.0 0.563 0.597 0.504 0.000 -0.071 0.000 3/23400 290.0 0.544 0.577 0.487 0.000 -0.068 0.000 3/23400 300.0 0.526 0.558 0.471 0.000 -0.066 0.000 3/23400 310.0 0.509 0.540 0.456 0.000 -0.064 0.000 3/23400 320.0 0.494 0.523 0.442 0.000 -0.062 0.000 3/23400 330.0 0.479 0.508 0.429 0.000 -0.060 0.000 3/23400 340.0 0.465 0.493 0.417 0.000 -0.058 0.000 3/23400 350.0 0.453 0.479 0.405 0.000 -0.056 0.000 3/23400 360.0 0.440 0.466 0.394 0.000 -0.055 0.000 3/23400 370.0 0.429 0.454 0.384 0.000 -0.053 0.000 3/23400 380.0 0.418 0.442 0.374 0.000 -0.052 0.000 3/23400 390.0 0.407 0.431 0.364 0.000 -0.050 0.000 3/23400 400.0 0.398 0.420 0.356 0.000 -0.049 0.000 3/23400 410.0 0.388 0.410 0.347 0.000 -0.048 0.000 3/23400 420.0 0.379 0.401 0.339 0.000 -0.047 0.000 3/23400 430.0 0.371 0.391 0.331 0.000 -0.046 0.000 3/23400 440.0 0.363 0.383 0.324 0.000 -0.045 0.000 3/23400 450.0 0.355 0.374 0.317 0.000 -0.044 0.000 3/23400 460.0 0.347 0.366 0.310 0.000 -0.043 0.000 3/23400 470.0 0.340 0.359 0.304 0.000 -0.042 0.000 3/23400 480.0 0.333 0.351 0.298 0.000 -0.041 0.000 3/23400 490.0 0.327 0.344 0.292 0.000 -0.040 0.000 3/23400 500.0 0.320 0.338 0.286 0.000 -0.039 0.000 3/23400 510.0 0.314 0.331 0.281 0.000 -0.039 0.000 3/23400 520.0 0.308 0.325 0.275 0.000 -0.038 0.000 3/23400 530.0 0.303 0.319 0.270 0.000 -0.037 0.000 3/23400 540.0 0.297 0.313 0.265 0.000 -0.036 0.000 3/23400 550.0 0.292 0.307 0.261 0.000 -0.036 0.000 3/23400 560.0 0.287 0.302 0.256 0.000 -0.035 0.000 3/23400 570.0 0.282 0.297 0.252 0.000 -0.034 0.000 3/23400 580.0 0.277 0.292 0.247 0.000 -0.034 0.000 3/23400 590.0 0.273 0.287 0.243 0.000 -0.033 0.000 3/23400 600.0 0.268 0.282 0.239 0.000 -0.033 0.000 3/23400 610.0 0.264 0.278 0.235 0.000 -0.032 0.000 3/23400 620.0 0.260 0.273 0.232 0.000 -0.032 0.000 3/23400 630.0 0.256 0.269 0.228 0.000 -0.031 0.000 3/23400 640.0 0.252 0.265 0.225 0.000 -0.031 0.000 3/23400 650.0 0.248 0.261 0.221 0.000 -0.030 0.000 3/23400 660.0 0.244 0.257 0.218 0.000 -0.030 0.000 3/23400 670.0 0.241 0.253 0.215 0.000 -0.029 0.000 3/23400 680.0 0.237 0.249 0.212 0.000 -0.029 0.000 3/23400 690.0 0.234 0.246 0.209 0.000 -0.028 0.000 3/23400 700.0 0.231 0.242 0.206 0.000 -0.028 0.000 3/23400 710.0 0.228 0.239 0.203 0.000 -0.028 0.000 3/23400 720.0 0.224 0.236 0.200 0.000 -0.027 0.000 3/23400 730.0 0.221 0.232 0.197 0.000 -0.027 0.000 3/23400 740.0 0.219 0.229 0.195 0.000 -0.027 0.000 3/23400 750.0 0.216 0.226 0.192 0.000 -0.026 0.000 3/23400 760.0 0.213 0.223 0.190 0.000 -0.026 0.000 3/23400 770.0 0.210 0.221 0.187 0.000 -0.025 0.000 3/23400 780.0 0.208 0.218 0.185 0.000 -0.025 0.000 3/23400 790.0 0.205 0.215 0.183 0.000 -0.025 0.000 3/23400 800.0 0.202 0.212 0.180 0.000 -0.025 0.000 3/23400 810.0 0.200 0.210 0.178 0.000 -0.024 0.000 3/23400 820.0 0.198 0.207 0.176 0.000 -0.024 0.000 3/23400 830.0 0.195 0.205 0.174 0.000 -0.024 0.000 3/23400 840.0 0.193 0.202 0.172 0.000 -0.023 0.000 3/23400 850.0 0.191 0.200 0.170 0.000 -0.023 0.000 3/23400 860.0 0.189 0.198 0.168 0.000 -0.023 0.000 3/23400 870.0 0.186 0.195 0.166 0.000 -0.023 0.000 3/23400 880.0 0.184 0.193 0.164 0.000 -0.022 0.000 3/23400 890.0 0.182 0.191 0.162 0.000 -0.022 0.000 3/23400 900.0 0.180 0.189 0.161 0.000 -0.022 0.000 3/23400 910.0 0.178 0.187 0.159 0.000 -0.022 0.000 3/23400 920.0 0.176 0.185 0.157 0.000 -0.021 0.000 3/23400 930.0 0.175 0.183 0.156 0.000 -0.021 0.000 3/23400 940.0 0.173 0.181 0.154 0.000 -0.021 0.000 3/23400 950.0 0.171 0.179 0.152 0.000 -0.021 0.000 3/23400 960.0 0.169 0.177 0.151 0.000 -0.020 0.000 3/23400 970.0 0.167 0.175 0.149 0.000 -0.020 0.000 3/23400 980.0 0.166 0.174 0.148 0.000 -0.020 0.000 3/23400 990.0 0.164 0.172 0.146 0.000 -0.020 0.000 3/23400 1000.0 0.163 0.170 0.145 0.000 -0.020 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:07:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|