----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 7.824108120136638 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): *1 O 0.56981273480779 0.48985177169826 0.89921338536029 15.999 2 O 0.43018726519221 0.98985177169826 0.60078661463971 15.999 3 O 0.43018726519221 0.51014822830174 0.10078661463971 15.999 4 O 0.56981273480779 0.01014822830174 0.39921338536029 15.999 *5 O 0.07643557838591 0.50525996894198 0.89537738418620 15.999 6 O 0.92356442161410 0.00525996894198 0.60462261581380 15.999 7 O 0.92356442161410 0.49474003105802 0.10462261581380 15.999 8 O 0.07643557838591 0.99474003105802 0.39537738418620 15.999 *9 O 0.70506283616790 0.46673322530162 0.68041952717192 15.999 10 O 0.29493716383210 0.96673322530162 0.81958047282808 15.999 11 O 0.29493716383210 0.53326677469838 0.31958047282808 15.999 12 O 0.70506283616790 0.03326677469838 0.18041952717192 15.999 *13 O 0.63946610438250 0.27221339380062 0.45973688482523 15.999 14 O 0.36053389561750 0.77221339380062 0.04026311517477 15.999 *15 O 0.22284799295140 0.46800797272809 0.67534794310730 15.999 16 O 0.36053389561750 0.72778660619938 0.54026311517477 15.999 *17 O 0.43170425764916 0.24930178327593 0.61214128996231 15.999 18 O 0.56829574235084 0.74930178327593 0.88785871003769 15.999 19 O 0.56829574235084 0.75069821672407 0.38785871003769 15.999 20 O 0.43170425764916 0.25069821672407 0.11214128996231 15.999 *21 O 0.07242241432856 0.26746539307680 0.47479276129420 15.999 22 O 0.92757758567144 0.76746539307680 0.02520723870581 15.999 23 O 0.92757758567144 0.73253460692320 0.52520723870580 15.999 24 O 0.07242241432856 0.23253460692320 0.97479276129420 15.999 *25 O 0.78388843158615 0.22118607755072 0.74885340284021 15.999 26 O 0.21611156841385 0.72118607755072 0.75114659715979 15.999 27 O 0.21611156841385 0.77881392244928 0.25114659715979 15.999 28 O 0.78388843158615 0.27881392244928 0.24885340284021 15.999 *29 O 0.23484834333236 0.22201567646693 0.76783046967570 15.999 30 O 0.76515165666764 0.72201567646693 0.73216953032430 15.999 31 O 0.76515165666764 0.77798432353307 0.23216953032431 15.999 32 O 0.23484834333236 0.27798432353307 0.26783046967570 15.999 33 O 0.22284799295140 0.03199202727191 0.17534794310730 15.999 34 O 0.77715200704860 0.53199202727191 0.32465205689270 15.999 35 O 0.77715200704860 0.96800797272809 0.82465205689270 15.999 36 O 0.63946610438250 0.22778660619938 0.95973688482523 15.999 *37 Ga 0.65492251553960 0.31335563184840 0.61530826241102 69.723 38 Ga 0.34507748446040 0.81335563184840 0.88469173758898 69.723 39 Ga 0.34507748446040 0.68664436815160 0.38469173758898 69.723 40 Ga 0.65492251553960 0.18664436815159 0.11530826241102 69.723 *41 Ga 0.21744961937561 0.31018457755549 0.62743394453293 69.723 42 Ga 0.78255038062439 0.81018457755549 0.87256605546707 69.723 43 Ga 0.78255038062439 0.68981542244451 0.37256605546707 69.723 44 Ga 0.21744961937561 0.18981542244451 0.12743394453293 69.723 *45 Pr 0.83398760374701 0.37871984910269 0.91053495867529 140.908 46 Pr 0.16601239625299 0.87871984910269 0.58946504132471 140.908 47 Pr 0.16601239625299 0.62128015089731 0.08946504132471 140.908 48 Pr 0.83398760374701 0.12128015089731 0.41053495867529 140.908 *49 Pr 0.33292136868331 0.37838225189912 0.92665318635405 140.908 50 Pr 0.66707863131669 0.87838225189912 0.57334681364595 140.908 51 Pr 0.66707863131669 0.62161774810088 0.07334681364595 140.908 52 Pr 0.33292136868331 0.12161774810088 0.42665318635404 140.908 *53 Pr 0.02448316101967 0.41300909926260 0.30711930694705 140.908 54 Pr 0.97551683898033 0.91300909926260 0.19288069305295 140.908 55 Pr 0.97551683898033 0.58699090073740 0.69288069305295 140.908 56 Pr 0.02448316101967 0.08699090073740 0.80711930694705 140.908 *57 Pr 0.52094889221455 0.39652675527854 0.28233908946138 140.908 58 Pr 0.47905110778545 0.89652675527854 0.21766091053862 140.908 59 Pr 0.47905110778545 0.60347324472146 0.71766091053862 140.908 60 Pr 0.52094889221455 0.10347324472145 0.78233908946138 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.824108120136638 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): *1 O 0.56981273480779 0.48985177169826 0.89921338536029 15.999 > 1 2 O 0.43018726519221 0.98985177169826 0.60078661463971 15.999 > 2 3 O 0.43018726519221 0.51014822830174 0.10078661463971 15.999 > 3 4 O 0.56981273480779 0.01014822830174 0.39921338536029 15.999 > 4 *5 O 0.07643557838591 0.50525996894198 0.89537738418620 15.999 > 5 6 O 0.92356442161410 0.00525996894198 0.60462261581380 15.999 > 6 7 O 0.92356442161410 0.49474003105802 0.10462261581380 15.999 > 7 8 O 0.07643557838591 0.99474003105802 0.39537738418620 15.999 > 8 *9 O 0.70506283616790 0.46673322530162 0.68041952717192 15.999 > 9 10 O 0.29493716383210 0.96673322530162 0.81958047282808 15.999 > 10 11 O 0.29493716383210 0.53326677469838 0.31958047282808 15.999 > 11 12 O 0.70506283616790 0.03326677469838 0.18041952717192 15.999 > 12 *13 O 0.63946610438250 0.27221339380062 0.45973688482523 15.999 > 13 14 O 0.36053389561750 0.77221339380062 0.04026311517477 15.999 > 14 *15 O 0.22284799295140 0.46800797272809 0.67534794310730 15.999 > 15 16 O 0.36053389561750 0.72778660619938 0.54026311517477 15.999 > 16 *17 O 0.43170425764916 0.24930178327593 0.61214128996231 15.999 > 17 18 O 0.56829574235084 0.74930178327593 0.88785871003769 15.999 > 18 19 O 0.56829574235084 0.75069821672407 0.38785871003769 15.999 > 19 20 O 0.43170425764916 0.25069821672407 0.11214128996231 15.999 > 20 *21 O 0.07242241432856 0.26746539307680 0.47479276129420 15.999 > 21 22 O 0.92757758567144 0.76746539307680 0.02520723870581 15.999 > 22 23 O 0.92757758567144 0.73253460692320 0.52520723870580 15.999 > 23 24 O 0.07242241432856 0.23253460692320 0.97479276129420 15.999 > 24 *25 O 0.78388843158615 0.22118607755072 0.74885340284021 15.999 > 25 26 O 0.21611156841385 0.72118607755072 0.75114659715979 15.999 > 26 27 O 0.21611156841385 0.77881392244928 0.25114659715979 15.999 > 27 28 O 0.78388843158615 0.27881392244928 0.24885340284021 15.999 > 28 *29 O 0.23484834333236 0.22201567646693 0.76783046967570 15.999 > 29 30 O 0.76515165666764 0.72201567646693 0.73216953032430 15.999 > 30 31 O 0.76515165666764 0.77798432353307 0.23216953032431 15.999 > 31 32 O 0.23484834333236 0.27798432353307 0.26783046967570 15.999 > 32 33 O 0.22284799295140 0.03199202727191 0.17534794310730 15.999 > 33 34 O 0.77715200704860 0.53199202727191 0.32465205689270 15.999 > 34 35 O 0.77715200704860 0.96800797272809 0.82465205689270 15.999 > 35 36 O 0.63946610438250 0.22778660619938 0.95973688482523 15.999 > 36 *37 Ga 0.65492251553960 0.31335563184840 0.61530826241102 69.723 > 37 38 Ga 0.34507748446040 0.81335563184840 0.88469173758898 69.723 > 38 39 Ga 0.34507748446040 0.68664436815160 0.38469173758898 69.723 > 39 40 Ga 0.65492251553960 0.18664436815159 0.11530826241102 69.723 > 40 *41 Ga 0.21744961937561 0.31018457755549 0.62743394453293 69.723 > 41 42 Ga 0.78255038062439 0.81018457755549 0.87256605546707 69.723 > 42 43 Ga 0.78255038062439 0.68981542244451 0.37256605546707 69.723 > 43 44 Ga 0.21744961937561 0.18981542244451 0.12743394453293 69.723 > 44 *45 Pr 0.83398760374701 0.37871984910269 0.91053495867529 140.908 > 45 46 Pr 0.16601239625299 0.87871984910269 0.58946504132471 140.908 > 46 47 Pr 0.16601239625299 0.62128015089731 0.08946504132471 140.908 > 47 48 Pr 0.83398760374701 0.12128015089731 0.41053495867529 140.908 > 48 *49 Pr 0.33292136868331 0.37838225189912 0.92665318635405 140.908 > 49 50 Pr 0.66707863131669 0.87838225189912 0.57334681364595 140.908 > 50 51 Pr 0.66707863131669 0.62161774810088 0.07334681364595 140.908 > 51 52 Pr 0.33292136868331 0.12161774810088 0.42665318635404 140.908 > 52 *53 Pr 0.02448316101967 0.41300909926260 0.30711930694705 140.908 > 53 54 Pr 0.97551683898033 0.91300909926260 0.19288069305295 140.908 > 54 55 Pr 0.97551683898033 0.58699090073740 0.69288069305295 140.908 > 55 56 Pr 0.02448316101967 0.08699090073740 0.80711930694705 140.908 > 56 *57 Pr 0.52094889221455 0.39652675527854 0.28233908946138 140.908 > 57 58 Pr 0.47905110778545 0.89652675527854 0.21766091053862 140.908 > 58 59 Pr 0.47905110778545 0.60347324472146 0.71766091053862 140.908 > 59 60 Pr 0.52094889221455 0.10347324472145 0.78233908946138 140.908 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.648216240273277 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): *1 O 0.28490636740389 0.48985177169826 0.89921338536029 15.999 > 1 2 O 0.78490636740389 0.48985177169826 0.89921338536029 15.999 > 1 3 O 0.21509363259611 0.98985177169826 0.60078661463971 15.999 > 2 4 O 0.71509363259611 0.98985177169826 0.60078661463971 15.999 > 2 5 O 0.21509363259611 0.51014822830174 0.10078661463971 15.999 > 3 6 O 0.71509363259611 0.51014822830174 0.10078661463971 15.999 > 3 7 O 0.28490636740389 0.01014822830174 0.39921338536029 15.999 > 4 8 O 0.78490636740389 0.01014822830174 0.39921338536029 15.999 > 4 *9 O 0.03821778919295 0.50525996894198 0.89537738418620 15.999 > 5 10 O 0.53821778919295 0.50525996894198 0.89537738418620 15.999 > 5 11 O 0.46178221080705 0.00525996894198 0.60462261581380 15.999 > 6 12 O 0.96178221080705 0.00525996894198 0.60462261581380 15.999 > 6 13 O 0.46178221080705 0.49474003105802 0.10462261581380 15.999 > 7 14 O 0.96178221080705 0.49474003105802 0.10462261581380 15.999 > 7 15 O 0.03821778919295 0.99474003105802 0.39537738418620 15.999 > 8 16 O 0.53821778919295 0.99474003105802 0.39537738418620 15.999 > 8 *17 O 0.35253141808395 0.46673322530162 0.68041952717192 15.999 > 9 18 O 0.85253141808395 0.46673322530162 0.68041952717192 15.999 > 9 19 O 0.14746858191605 0.96673322530162 0.81958047282808 15.999 > 10 20 O 0.64746858191605 0.96673322530162 0.81958047282808 15.999 > 10 21 O 0.14746858191605 0.53326677469838 0.31958047282808 15.999 > 11 22 O 0.64746858191605 0.53326677469838 0.31958047282808 15.999 > 11 23 O 0.35253141808395 0.03326677469838 0.18041952717192 15.999 > 12 24 O 0.85253141808395 0.03326677469838 0.18041952717192 15.999 > 12 *25 O 0.31973305219125 0.27221339380062 0.45973688482523 15.999 > 13 26 O 0.81973305219125 0.27221339380062 0.45973688482523 15.999 > 13 27 O 0.18026694780875 0.77221339380062 0.04026311517477 15.999 > 14 28 O 0.68026694780875 0.77221339380062 0.04026311517477 15.999 > 14 *29 O 0.11142399647570 0.46800797272809 0.67534794310730 15.999 > 15 30 O 0.61142399647570 0.46800797272809 0.67534794310730 15.999 > 15 31 O 0.18026694780875 0.72778660619938 0.54026311517477 15.999 > 16 32 O 0.68026694780875 0.72778660619938 0.54026311517477 15.999 > 16 *33 O 0.21585212882458 0.24930178327593 0.61214128996231 15.999 > 17 34 O 0.71585212882458 0.24930178327593 0.61214128996231 15.999 > 17 35 O 0.28414787117542 0.74930178327593 0.88785871003769 15.999 > 18 36 O 0.78414787117542 0.74930178327593 0.88785871003769 15.999 > 18 37 O 0.28414787117542 0.75069821672407 0.38785871003769 15.999 > 19 38 O 0.78414787117542 0.75069821672407 0.38785871003769 15.999 > 19 39 O 0.21585212882458 0.25069821672407 0.11214128996231 15.999 > 20 40 O 0.71585212882458 0.25069821672407 0.11214128996231 15.999 > 20 *41 O 0.03621120716428 0.26746539307680 0.47479276129420 15.999 > 21 42 O 0.53621120716428 0.26746539307680 0.47479276129420 15.999 > 21 43 O 0.46378879283572 0.76746539307680 0.02520723870581 15.999 > 22 44 O 0.96378879283572 0.76746539307680 0.02520723870581 15.999 > 22 45 O 0.46378879283572 0.73253460692320 0.52520723870580 15.999 > 23 46 O 0.96378879283572 0.73253460692320 0.52520723870580 15.999 > 23 47 O 0.03621120716428 0.23253460692320 0.97479276129420 15.999 > 24 48 O 0.53621120716428 0.23253460692320 0.97479276129420 15.999 > 24 *49 O 0.39194421579307 0.22118607755072 0.74885340284021 15.999 > 25 50 O 0.89194421579307 0.22118607755072 0.74885340284021 15.999 > 25 51 O 0.10805578420693 0.72118607755072 0.75114659715979 15.999 > 26 52 O 0.60805578420693 0.72118607755072 0.75114659715979 15.999 > 26 53 O 0.10805578420693 0.77881392244928 0.25114659715979 15.999 > 27 54 O 0.60805578420693 0.77881392244928 0.25114659715979 15.999 > 27 55 O 0.39194421579307 0.27881392244928 0.24885340284021 15.999 > 28 56 O 0.89194421579307 0.27881392244928 0.24885340284021 15.999 > 28 *57 O 0.11742417166618 0.22201567646693 0.76783046967570 15.999 > 29 58 O 0.61742417166618 0.22201567646693 0.76783046967570 15.999 > 29 59 O 0.38257582833382 0.72201567646693 0.73216953032430 15.999 > 30 60 O 0.88257582833382 0.72201567646693 0.73216953032430 15.999 > 30 61 O 0.38257582833382 0.77798432353307 0.23216953032431 15.999 > 31 62 O 0.88257582833382 0.77798432353307 0.23216953032431 15.999 > 31 63 O 0.11742417166618 0.27798432353307 0.26783046967570 15.999 > 32 64 O 0.61742417166618 0.27798432353307 0.26783046967570 15.999 > 32 65 O 0.11142399647570 0.03199202727191 0.17534794310730 15.999 > 33 66 O 0.61142399647570 0.03199202727191 0.17534794310730 15.999 > 33 67 O 0.38857600352430 0.53199202727191 0.32465205689270 15.999 > 34 68 O 0.88857600352430 0.53199202727191 0.32465205689270 15.999 > 34 69 O 0.38857600352430 0.96800797272809 0.82465205689270 15.999 > 35 70 O 0.88857600352430 0.96800797272809 0.82465205689270 15.999 > 35 71 O 0.31973305219125 0.22778660619938 0.95973688482523 15.999 > 36 72 O 0.81973305219125 0.22778660619938 0.95973688482523 15.999 > 36 *73 Ga 0.32746125776980 0.31335563184840 0.61530826241102 69.723 > 37 74 Ga 0.82746125776980 0.31335563184840 0.61530826241102 69.723 > 37 75 Ga 0.17253874223020 0.81335563184840 0.88469173758898 69.723 > 38 76 Ga 0.67253874223020 0.81335563184840 0.88469173758898 69.723 > 38 77 Ga 0.17253874223020 0.68664436815160 0.38469173758898 69.723 > 39 78 Ga 0.67253874223020 0.68664436815160 0.38469173758898 69.723 > 39 79 Ga 0.32746125776980 0.18664436815159 0.11530826241102 69.723 > 40 80 Ga 0.82746125776980 0.18664436815159 0.11530826241102 69.723 > 40 *81 Ga 0.10872480968780 0.31018457755549 0.62743394453293 69.723 > 41 82 Ga 0.60872480968780 0.31018457755549 0.62743394453293 69.723 > 41 83 Ga 0.39127519031220 0.81018457755549 0.87256605546707 69.723 > 42 84 Ga 0.89127519031220 0.81018457755549 0.87256605546707 69.723 > 42 85 Ga 0.39127519031220 0.68981542244451 0.37256605546707 69.723 > 43 86 Ga 0.89127519031220 0.68981542244451 0.37256605546707 69.723 > 43 87 Ga 0.10872480968780 0.18981542244451 0.12743394453293 69.723 > 44 88 Ga 0.60872480968780 0.18981542244451 0.12743394453293 69.723 > 44 *89 Pr 0.41699380187350 0.37871984910269 0.91053495867529 140.908 > 45 90 Pr 0.91699380187350 0.37871984910269 0.91053495867529 140.908 > 45 91 Pr 0.08300619812650 0.87871984910269 0.58946504132471 140.908 > 46 92 Pr 0.58300619812650 0.87871984910269 0.58946504132471 140.908 > 46 93 Pr 0.08300619812650 0.62128015089731 0.08946504132471 140.908 > 47 94 Pr 0.58300619812650 0.62128015089731 0.08946504132471 140.908 > 47 95 Pr 0.41699380187350 0.12128015089731 0.41053495867529 140.908 > 48 96 Pr 0.91699380187350 0.12128015089731 0.41053495867529 140.908 > 48 *97 Pr 0.16646068434165 0.37838225189912 0.92665318635405 140.908 > 49 98 Pr 0.66646068434165 0.37838225189912 0.92665318635405 140.908 > 49 99 Pr 0.33353931565835 0.87838225189912 0.57334681364595 140.908 > 50 100 Pr 0.83353931565835 0.87838225189912 0.57334681364595 140.908 > 50 101 Pr 0.33353931565835 0.62161774810088 0.07334681364595 140.908 > 51 102 Pr 0.83353931565835 0.62161774810088 0.07334681364595 140.908 > 51 103 Pr 0.16646068434165 0.12161774810088 0.42665318635404 140.908 > 52 104 Pr 0.66646068434165 0.12161774810088 0.42665318635404 140.908 > 52 *105 Pr 0.01224158050983 0.41300909926260 0.30711930694705 140.908 > 53 106 Pr 0.51224158050983 0.41300909926260 0.30711930694705 140.908 > 53 107 Pr 0.48775841949017 0.91300909926260 0.19288069305295 140.908 > 54 108 Pr 0.98775841949017 0.91300909926260 0.19288069305295 140.908 > 54 109 Pr 0.48775841949017 0.58699090073740 0.69288069305295 140.908 > 55 110 Pr 0.98775841949017 0.58699090073740 0.69288069305295 140.908 > 55 111 Pr 0.01224158050983 0.08699090073740 0.80711930694705 140.908 > 56 112 Pr 0.51224158050983 0.08699090073740 0.80711930694705 140.908 > 56 *113 Pr 0.26047444610727 0.39652675527854 0.28233908946138 140.908 > 57 114 Pr 0.76047444610727 0.39652675527854 0.28233908946138 140.908 > 57 115 Pr 0.23952555389273 0.89652675527854 0.21766091053862 140.908 > 58 116 Pr 0.73952555389273 0.89652675527854 0.21766091053862 140.908 > 58 117 Pr 0.23952555389273 0.60347324472146 0.71766091053862 140.908 > 59 118 Pr 0.73952555389273 0.60347324472146 0.71766091053862 140.908 > 59 119 Pr 0.26047444610727 0.10347324472145 0.78233908946138 140.908 > 60 120 Pr 0.76047444610727 0.10347324472145 0.78233908946138 140.908 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0340165 0.0000000 0.0294503 0.0000000 4.0580092 0.0000000 0.0294526 0.0000000 3.9863050 -------------------------- Born effective charges -------------------------- 1 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 2 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 3 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 4 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 5 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 6 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 7 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 8 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 9 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 10 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 11 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 12 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 13 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 14 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 15 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 16 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 17 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 18 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 19 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 20 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 21 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 22 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 23 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 24 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 25 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 26 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 27 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 28 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 29 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 30 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 31 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 32 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 33 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 34 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 35 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 36 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 37 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 38 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 39 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 40 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 41 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 42 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 43 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 44 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 45 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 46 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 47 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 48 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 49 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 50 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 51 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 52 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 53 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 54 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 55 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 56 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 57 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 58 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 59 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 60 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.431 Solver_block: 200 / 1840 - Time: 2.101 Solver_block: 300 / 1840 - Time: 2.100 Solver_block: 400 / 1840 - Time: 2.102 Solver_block: 500 / 1840 - Time: 2.107 Solver_block: 600 / 1840 - Time: 2.105 Solver_block: 700 / 1840 - Time: 2.107 Solver_block: 800 / 1840 - Time: 2.100 Solver_block: 900 / 1840 - Time: 2.104 Solver_block: 1000 / 1840 - Time: 2.111 Solver_block: 1100 / 1840 - Time: 2.104 Solver_block: 1200 / 1840 - Time: 2.106 Solver_block: 1300 / 1840 - Time: 2.107 Solver_block: 1400 / 1840 - Time: 2.105 Solver_block: 1500 / 1840 - Time: 2.115 Solver_block: 1600 / 1840 - Time: 2.107 Solver_block: 1700 / 1840 - Time: 2.105 Solver_block: 1800 / 1840 - Time: 2.103 Solver_block: 1840 / 1840 - Time: 1.011 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.293 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), 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 01:39:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:39:24]------------------------- 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 7.824108120136638 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): 1 O 0.56981273480779 0.48985177169826 0.89921338536029 15.999 2 O 0.43018726519221 0.98985177169826 0.60078661463971 15.999 3 O 0.43018726519221 0.51014822830174 0.10078661463971 15.999 4 O 0.56981273480779 0.01014822830174 0.39921338536029 15.999 5 O 0.07643557838591 0.50525996894198 0.89537738418620 15.999 6 O 0.92356442161410 0.00525996894198 0.60462261581380 15.999 7 O 0.92356442161410 0.49474003105802 0.10462261581380 15.999 8 O 0.07643557838591 0.99474003105802 0.39537738418620 15.999 9 O 0.70506283616790 0.46673322530162 0.68041952717192 15.999 10 O 0.29493716383210 0.96673322530162 0.81958047282808 15.999 11 O 0.29493716383210 0.53326677469838 0.31958047282808 15.999 12 O 0.70506283616790 0.03326677469838 0.18041952717192 15.999 13 O 0.63946610438250 0.27221339380062 0.45973688482523 15.999 14 O 0.36053389561750 0.77221339380062 0.04026311517477 15.999 15 O 0.22284799295140 0.46800797272809 0.67534794310730 15.999 16 O 0.36053389561750 0.72778660619938 0.54026311517477 15.999 17 O 0.43170425764916 0.24930178327593 0.61214128996231 15.999 18 O 0.56829574235084 0.74930178327593 0.88785871003769 15.999 19 O 0.56829574235084 0.75069821672407 0.38785871003769 15.999 20 O 0.43170425764916 0.25069821672407 0.11214128996231 15.999 21 O 0.07242241432856 0.26746539307680 0.47479276129420 15.999 22 O 0.92757758567144 0.76746539307680 0.02520723870581 15.999 23 O 0.92757758567144 0.73253460692320 0.52520723870580 15.999 24 O 0.07242241432856 0.23253460692320 0.97479276129420 15.999 25 O 0.78388843158615 0.22118607755072 0.74885340284021 15.999 26 O 0.21611156841385 0.72118607755072 0.75114659715979 15.999 27 O 0.21611156841385 0.77881392244928 0.25114659715979 15.999 28 O 0.78388843158615 0.27881392244928 0.24885340284021 15.999 29 O 0.23484834333236 0.22201567646693 0.76783046967570 15.999 30 O 0.76515165666764 0.72201567646693 0.73216953032430 15.999 31 O 0.76515165666764 0.77798432353307 0.23216953032431 15.999 32 O 0.23484834333236 0.27798432353307 0.26783046967570 15.999 33 O 0.22284799295140 0.03199202727191 0.17534794310730 15.999 34 O 0.77715200704860 0.53199202727191 0.32465205689270 15.999 35 O 0.77715200704860 0.96800797272809 0.82465205689270 15.999 36 O 0.63946610438250 0.22778660619938 0.95973688482523 15.999 37 Ga 0.65492251553960 0.31335563184840 0.61530826241102 69.723 38 Ga 0.34507748446040 0.81335563184840 0.88469173758898 69.723 39 Ga 0.34507748446040 0.68664436815160 0.38469173758898 69.723 40 Ga 0.65492251553960 0.18664436815159 0.11530826241102 69.723 41 Ga 0.21744961937561 0.31018457755549 0.62743394453293 69.723 42 Ga 0.78255038062439 0.81018457755549 0.87256605546707 69.723 43 Ga 0.78255038062439 0.68981542244451 0.37256605546707 69.723 44 Ga 0.21744961937561 0.18981542244451 0.12743394453293 69.723 45 Pr 0.83398760374701 0.37871984910269 0.91053495867529 140.908 46 Pr 0.16601239625299 0.87871984910269 0.58946504132471 140.908 47 Pr 0.16601239625299 0.62128015089731 0.08946504132471 140.908 48 Pr 0.83398760374701 0.12128015089731 0.41053495867529 140.908 49 Pr 0.33292136868331 0.37838225189912 0.92665318635405 140.908 50 Pr 0.66707863131669 0.87838225189912 0.57334681364595 140.908 51 Pr 0.66707863131669 0.62161774810088 0.07334681364595 140.908 52 Pr 0.33292136868331 0.12161774810088 0.42665318635404 140.908 53 Pr 0.02448316101967 0.41300909926260 0.30711930694705 140.908 54 Pr 0.97551683898033 0.91300909926260 0.19288069305295 140.908 55 Pr 0.97551683898033 0.58699090073740 0.69288069305295 140.908 56 Pr 0.02448316101967 0.08699090073740 0.80711930694705 140.908 57 Pr 0.52094889221455 0.39652675527854 0.28233908946138 140.908 58 Pr 0.47905110778545 0.89652675527854 0.21766091053862 140.908 59 Pr 0.47905110778545 0.60347324472146 0.71766091053862 140.908 60 Pr 0.52094889221455 0.10347324472145 0.78233908946138 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.648216240273277 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): 1 O 0.28490636740389 0.48985177169826 0.89921338536029 15.999 > 1 2 O 0.78490636740389 0.48985177169826 0.89921338536029 15.999 > 1 3 O 0.21509363259611 0.98985177169826 0.60078661463971 15.999 > 3 4 O 0.71509363259611 0.98985177169826 0.60078661463971 15.999 > 3 5 O 0.21509363259611 0.51014822830174 0.10078661463971 15.999 > 5 6 O 0.71509363259611 0.51014822830174 0.10078661463971 15.999 > 5 7 O 0.28490636740389 0.01014822830174 0.39921338536029 15.999 > 7 8 O 0.78490636740389 0.01014822830174 0.39921338536029 15.999 > 7 9 O 0.03821778919295 0.50525996894198 0.89537738418620 15.999 > 9 10 O 0.53821778919295 0.50525996894198 0.89537738418620 15.999 > 9 11 O 0.46178221080705 0.00525996894198 0.60462261581380 15.999 > 11 12 O 0.96178221080705 0.00525996894198 0.60462261581380 15.999 > 11 13 O 0.46178221080705 0.49474003105802 0.10462261581380 15.999 > 13 14 O 0.96178221080705 0.49474003105802 0.10462261581380 15.999 > 13 15 O 0.03821778919295 0.99474003105802 0.39537738418620 15.999 > 15 16 O 0.53821778919295 0.99474003105802 0.39537738418620 15.999 > 15 17 O 0.35253141808395 0.46673322530162 0.68041952717192 15.999 > 17 18 O 0.85253141808395 0.46673322530162 0.68041952717192 15.999 > 17 19 O 0.14746858191605 0.96673322530162 0.81958047282808 15.999 > 19 20 O 0.64746858191605 0.96673322530162 0.81958047282808 15.999 > 19 21 O 0.14746858191605 0.53326677469838 0.31958047282808 15.999 > 21 22 O 0.64746858191605 0.53326677469838 0.31958047282808 15.999 > 21 23 O 0.35253141808395 0.03326677469838 0.18041952717192 15.999 > 23 24 O 0.85253141808395 0.03326677469838 0.18041952717192 15.999 > 23 25 O 0.31973305219125 0.27221339380062 0.45973688482523 15.999 > 25 26 O 0.81973305219125 0.27221339380062 0.45973688482523 15.999 > 25 27 O 0.18026694780875 0.77221339380062 0.04026311517477 15.999 > 27 28 O 0.68026694780875 0.77221339380062 0.04026311517477 15.999 > 27 29 O 0.11142399647570 0.46800797272809 0.67534794310730 15.999 > 29 30 O 0.61142399647570 0.46800797272809 0.67534794310730 15.999 > 29 31 O 0.18026694780875 0.72778660619938 0.54026311517477 15.999 > 31 32 O 0.68026694780875 0.72778660619938 0.54026311517477 15.999 > 31 33 O 0.21585212882458 0.24930178327593 0.61214128996231 15.999 > 33 34 O 0.71585212882458 0.24930178327593 0.61214128996231 15.999 > 33 35 O 0.28414787117542 0.74930178327593 0.88785871003769 15.999 > 35 36 O 0.78414787117542 0.74930178327593 0.88785871003769 15.999 > 35 37 O 0.28414787117542 0.75069821672407 0.38785871003769 15.999 > 37 38 O 0.78414787117542 0.75069821672407 0.38785871003769 15.999 > 37 39 O 0.21585212882458 0.25069821672407 0.11214128996231 15.999 > 39 40 O 0.71585212882458 0.25069821672407 0.11214128996231 15.999 > 39 41 O 0.03621120716428 0.26746539307680 0.47479276129420 15.999 > 41 42 O 0.53621120716428 0.26746539307680 0.47479276129420 15.999 > 41 43 O 0.46378879283572 0.76746539307680 0.02520723870581 15.999 > 43 44 O 0.96378879283572 0.76746539307680 0.02520723870581 15.999 > 43 45 O 0.46378879283572 0.73253460692320 0.52520723870580 15.999 > 45 46 O 0.96378879283572 0.73253460692320 0.52520723870580 15.999 > 45 47 O 0.03621120716428 0.23253460692320 0.97479276129420 15.999 > 47 48 O 0.53621120716428 0.23253460692320 0.97479276129420 15.999 > 47 49 O 0.39194421579307 0.22118607755072 0.74885340284021 15.999 > 49 50 O 0.89194421579307 0.22118607755072 0.74885340284021 15.999 > 49 51 O 0.10805578420693 0.72118607755072 0.75114659715979 15.999 > 51 52 O 0.60805578420693 0.72118607755072 0.75114659715979 15.999 > 51 53 O 0.10805578420693 0.77881392244928 0.25114659715979 15.999 > 53 54 O 0.60805578420693 0.77881392244928 0.25114659715979 15.999 > 53 55 O 0.39194421579307 0.27881392244928 0.24885340284021 15.999 > 55 56 O 0.89194421579307 0.27881392244928 0.24885340284021 15.999 > 55 57 O 0.11742417166618 0.22201567646693 0.76783046967570 15.999 > 57 58 O 0.61742417166618 0.22201567646693 0.76783046967570 15.999 > 57 59 O 0.38257582833382 0.72201567646693 0.73216953032430 15.999 > 59 60 O 0.88257582833382 0.72201567646693 0.73216953032430 15.999 > 59 61 O 0.38257582833382 0.77798432353307 0.23216953032431 15.999 > 61 62 O 0.88257582833382 0.77798432353307 0.23216953032431 15.999 > 61 63 O 0.11742417166618 0.27798432353307 0.26783046967570 15.999 > 63 64 O 0.61742417166618 0.27798432353307 0.26783046967570 15.999 > 63 65 O 0.11142399647570 0.03199202727191 0.17534794310730 15.999 > 65 66 O 0.61142399647570 0.03199202727191 0.17534794310730 15.999 > 65 67 O 0.38857600352430 0.53199202727191 0.32465205689270 15.999 > 67 68 O 0.88857600352430 0.53199202727191 0.32465205689270 15.999 > 67 69 O 0.38857600352430 0.96800797272809 0.82465205689270 15.999 > 69 70 O 0.88857600352430 0.96800797272809 0.82465205689270 15.999 > 69 71 O 0.31973305219125 0.22778660619938 0.95973688482523 15.999 > 71 72 O 0.81973305219125 0.22778660619938 0.95973688482523 15.999 > 71 73 Ga 0.32746125776980 0.31335563184840 0.61530826241102 69.723 > 73 74 Ga 0.82746125776980 0.31335563184840 0.61530826241102 69.723 > 73 75 Ga 0.17253874223020 0.81335563184840 0.88469173758898 69.723 > 75 76 Ga 0.67253874223020 0.81335563184840 0.88469173758898 69.723 > 75 77 Ga 0.17253874223020 0.68664436815160 0.38469173758898 69.723 > 77 78 Ga 0.67253874223020 0.68664436815160 0.38469173758898 69.723 > 77 79 Ga 0.32746125776980 0.18664436815159 0.11530826241102 69.723 > 79 80 Ga 0.82746125776980 0.18664436815159 0.11530826241102 69.723 > 79 81 Ga 0.10872480968780 0.31018457755549 0.62743394453293 69.723 > 81 82 Ga 0.60872480968780 0.31018457755549 0.62743394453293 69.723 > 81 83 Ga 0.39127519031220 0.81018457755549 0.87256605546707 69.723 > 83 84 Ga 0.89127519031220 0.81018457755549 0.87256605546707 69.723 > 83 85 Ga 0.39127519031220 0.68981542244451 0.37256605546707 69.723 > 85 86 Ga 0.89127519031220 0.68981542244451 0.37256605546707 69.723 > 85 87 Ga 0.10872480968780 0.18981542244451 0.12743394453293 69.723 > 87 88 Ga 0.60872480968780 0.18981542244451 0.12743394453293 69.723 > 87 89 Pr 0.41699380187350 0.37871984910269 0.91053495867529 140.908 > 89 90 Pr 0.91699380187350 0.37871984910269 0.91053495867529 140.908 > 89 91 Pr 0.08300619812650 0.87871984910269 0.58946504132471 140.908 > 91 92 Pr 0.58300619812650 0.87871984910269 0.58946504132471 140.908 > 91 93 Pr 0.08300619812650 0.62128015089731 0.08946504132471 140.908 > 93 94 Pr 0.58300619812650 0.62128015089731 0.08946504132471 140.908 > 93 95 Pr 0.41699380187350 0.12128015089731 0.41053495867529 140.908 > 95 96 Pr 0.91699380187350 0.12128015089731 0.41053495867529 140.908 > 95 97 Pr 0.16646068434165 0.37838225189912 0.92665318635405 140.908 > 97 98 Pr 0.66646068434165 0.37838225189912 0.92665318635405 140.908 > 97 99 Pr 0.33353931565835 0.87838225189912 0.57334681364595 140.908 > 99 100 Pr 0.83353931565835 0.87838225189912 0.57334681364595 140.908 > 99 101 Pr 0.33353931565835 0.62161774810088 0.07334681364595 140.908 > 101 102 Pr 0.83353931565835 0.62161774810088 0.07334681364595 140.908 > 101 103 Pr 0.16646068434165 0.12161774810088 0.42665318635404 140.908 > 103 104 Pr 0.66646068434165 0.12161774810088 0.42665318635404 140.908 > 103 105 Pr 0.01224158050983 0.41300909926260 0.30711930694705 140.908 > 105 106 Pr 0.51224158050983 0.41300909926260 0.30711930694705 140.908 > 105 107 Pr 0.48775841949017 0.91300909926260 0.19288069305295 140.908 > 107 108 Pr 0.98775841949017 0.91300909926260 0.19288069305295 140.908 > 107 109 Pr 0.48775841949017 0.58699090073740 0.69288069305295 140.908 > 109 110 Pr 0.98775841949017 0.58699090073740 0.69288069305295 140.908 > 109 111 Pr 0.01224158050983 0.08699090073740 0.80711930694705 140.908 > 111 112 Pr 0.51224158050983 0.08699090073740 0.80711930694705 140.908 > 111 113 Pr 0.26047444610727 0.39652675527854 0.28233908946138 140.908 > 113 114 Pr 0.76047444610727 0.39652675527854 0.28233908946138 140.908 > 113 115 Pr 0.23952555389273 0.89652675527854 0.21766091053862 140.908 > 115 116 Pr 0.73952555389273 0.89652675527854 0.21766091053862 140.908 > 115 117 Pr 0.23952555389273 0.60347324472146 0.71766091053862 140.908 > 117 118 Pr 0.73952555389273 0.60347324472146 0.71766091053862 140.908 > 117 119 Pr 0.26047444610727 0.10347324472145 0.78233908946138 140.908 > 119 120 Pr 0.76047444610727 0.10347324472145 0.78233908946138 140.908 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0340165 0.0000000 0.0294503 0.0000000 4.0580092 0.0000000 0.0294526 0.0000000 3.9863050 -------------------------- Born effective charges -------------------------- 1 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 2 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 3 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 4 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 5 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 6 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 7 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 8 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 9 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 10 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 11 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 12 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 13 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 14 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 15 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 16 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 17 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 18 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 19 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 20 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 21 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 22 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 23 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 24 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 25 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 26 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 27 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 28 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 29 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 30 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 31 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 32 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 33 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 34 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 35 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 36 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 37 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 38 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 39 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 40 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 41 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 42 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 43 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 44 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 45 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 46 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 47 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 48 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 49 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 50 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 51 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 52 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 53 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 54 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 55 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 56 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 57 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 58 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 59 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 60 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 105, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 113, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 01:40:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:42]------------------------- 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 7.824108120136638 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): 1 O 0.56981273480779 0.48985177169826 0.89921338536029 15.999 2 O 0.43018726519221 0.98985177169826 0.60078661463971 15.999 3 O 0.43018726519221 0.51014822830174 0.10078661463971 15.999 4 O 0.56981273480779 0.01014822830174 0.39921338536029 15.999 5 O 0.07643557838591 0.50525996894198 0.89537738418620 15.999 6 O 0.92356442161410 0.00525996894198 0.60462261581380 15.999 7 O 0.92356442161410 0.49474003105802 0.10462261581380 15.999 8 O 0.07643557838591 0.99474003105802 0.39537738418620 15.999 9 O 0.70506283616790 0.46673322530162 0.68041952717192 15.999 10 O 0.29493716383210 0.96673322530162 0.81958047282808 15.999 11 O 0.29493716383210 0.53326677469838 0.31958047282808 15.999 12 O 0.70506283616790 0.03326677469838 0.18041952717192 15.999 13 O 0.63946610438250 0.27221339380062 0.45973688482523 15.999 14 O 0.36053389561750 0.77221339380062 0.04026311517477 15.999 15 O 0.22284799295140 0.46800797272809 0.67534794310730 15.999 16 O 0.36053389561750 0.72778660619938 0.54026311517477 15.999 17 O 0.43170425764916 0.24930178327593 0.61214128996231 15.999 18 O 0.56829574235084 0.74930178327593 0.88785871003769 15.999 19 O 0.56829574235084 0.75069821672407 0.38785871003769 15.999 20 O 0.43170425764916 0.25069821672407 0.11214128996231 15.999 21 O 0.07242241432856 0.26746539307680 0.47479276129420 15.999 22 O 0.92757758567144 0.76746539307680 0.02520723870581 15.999 23 O 0.92757758567144 0.73253460692320 0.52520723870580 15.999 24 O 0.07242241432856 0.23253460692320 0.97479276129420 15.999 25 O 0.78388843158615 0.22118607755072 0.74885340284021 15.999 26 O 0.21611156841385 0.72118607755072 0.75114659715979 15.999 27 O 0.21611156841385 0.77881392244928 0.25114659715979 15.999 28 O 0.78388843158615 0.27881392244928 0.24885340284021 15.999 29 O 0.23484834333236 0.22201567646693 0.76783046967570 15.999 30 O 0.76515165666764 0.72201567646693 0.73216953032430 15.999 31 O 0.76515165666764 0.77798432353307 0.23216953032431 15.999 32 O 0.23484834333236 0.27798432353307 0.26783046967570 15.999 33 O 0.22284799295140 0.03199202727191 0.17534794310730 15.999 34 O 0.77715200704860 0.53199202727191 0.32465205689270 15.999 35 O 0.77715200704860 0.96800797272809 0.82465205689270 15.999 36 O 0.63946610438250 0.22778660619938 0.95973688482523 15.999 37 Ga 0.65492251553960 0.31335563184840 0.61530826241102 69.723 38 Ga 0.34507748446040 0.81335563184840 0.88469173758898 69.723 39 Ga 0.34507748446040 0.68664436815160 0.38469173758898 69.723 40 Ga 0.65492251553960 0.18664436815159 0.11530826241102 69.723 41 Ga 0.21744961937561 0.31018457755549 0.62743394453293 69.723 42 Ga 0.78255038062439 0.81018457755549 0.87256605546707 69.723 43 Ga 0.78255038062439 0.68981542244451 0.37256605546707 69.723 44 Ga 0.21744961937561 0.18981542244451 0.12743394453293 69.723 45 Pr 0.83398760374701 0.37871984910269 0.91053495867529 140.908 46 Pr 0.16601239625299 0.87871984910269 0.58946504132471 140.908 47 Pr 0.16601239625299 0.62128015089731 0.08946504132471 140.908 48 Pr 0.83398760374701 0.12128015089731 0.41053495867529 140.908 49 Pr 0.33292136868331 0.37838225189912 0.92665318635405 140.908 50 Pr 0.66707863131669 0.87838225189912 0.57334681364595 140.908 51 Pr 0.66707863131669 0.62161774810088 0.07334681364595 140.908 52 Pr 0.33292136868331 0.12161774810088 0.42665318635404 140.908 53 Pr 0.02448316101967 0.41300909926260 0.30711930694705 140.908 54 Pr 0.97551683898033 0.91300909926260 0.19288069305295 140.908 55 Pr 0.97551683898033 0.58699090073740 0.69288069305295 140.908 56 Pr 0.02448316101967 0.08699090073740 0.80711930694705 140.908 57 Pr 0.52094889221455 0.39652675527854 0.28233908946138 140.908 58 Pr 0.47905110778545 0.89652675527854 0.21766091053862 140.908 59 Pr 0.47905110778545 0.60347324472146 0.71766091053862 140.908 60 Pr 0.52094889221455 0.10347324472145 0.78233908946138 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.648216240273277 0.000000000000000 0.000000000000000 b 0.000000000000000 11.044558710000000 0.000000000000000 c -3.794756196857089 0.000000000000000 10.892970843413423 Atomic positions (fractional): 1 O 0.28490636740389 0.48985177169826 0.89921338536029 15.999 > 1 2 O 0.78490636740389 0.48985177169826 0.89921338536029 15.999 > 1 3 O 0.21509363259611 0.98985177169826 0.60078661463971 15.999 > 3 4 O 0.71509363259611 0.98985177169826 0.60078661463971 15.999 > 3 5 O 0.21509363259611 0.51014822830174 0.10078661463971 15.999 > 5 6 O 0.71509363259611 0.51014822830174 0.10078661463971 15.999 > 5 7 O 0.28490636740389 0.01014822830174 0.39921338536029 15.999 > 7 8 O 0.78490636740389 0.01014822830174 0.39921338536029 15.999 > 7 9 O 0.03821778919295 0.50525996894198 0.89537738418620 15.999 > 9 10 O 0.53821778919295 0.50525996894198 0.89537738418620 15.999 > 9 11 O 0.46178221080705 0.00525996894198 0.60462261581380 15.999 > 11 12 O 0.96178221080705 0.00525996894198 0.60462261581380 15.999 > 11 13 O 0.46178221080705 0.49474003105802 0.10462261581380 15.999 > 13 14 O 0.96178221080705 0.49474003105802 0.10462261581380 15.999 > 13 15 O 0.03821778919295 0.99474003105802 0.39537738418620 15.999 > 15 16 O 0.53821778919295 0.99474003105802 0.39537738418620 15.999 > 15 17 O 0.35253141808395 0.46673322530162 0.68041952717192 15.999 > 17 18 O 0.85253141808395 0.46673322530162 0.68041952717192 15.999 > 17 19 O 0.14746858191605 0.96673322530162 0.81958047282808 15.999 > 19 20 O 0.64746858191605 0.96673322530162 0.81958047282808 15.999 > 19 21 O 0.14746858191605 0.53326677469838 0.31958047282808 15.999 > 21 22 O 0.64746858191605 0.53326677469838 0.31958047282808 15.999 > 21 23 O 0.35253141808395 0.03326677469838 0.18041952717192 15.999 > 23 24 O 0.85253141808395 0.03326677469838 0.18041952717192 15.999 > 23 25 O 0.31973305219125 0.27221339380062 0.45973688482523 15.999 > 25 26 O 0.81973305219125 0.27221339380062 0.45973688482523 15.999 > 25 27 O 0.18026694780875 0.77221339380062 0.04026311517477 15.999 > 27 28 O 0.68026694780875 0.77221339380062 0.04026311517477 15.999 > 27 29 O 0.11142399647570 0.46800797272809 0.67534794310730 15.999 > 29 30 O 0.61142399647570 0.46800797272809 0.67534794310730 15.999 > 29 31 O 0.18026694780875 0.72778660619938 0.54026311517477 15.999 > 31 32 O 0.68026694780875 0.72778660619938 0.54026311517477 15.999 > 31 33 O 0.21585212882458 0.24930178327593 0.61214128996231 15.999 > 33 34 O 0.71585212882458 0.24930178327593 0.61214128996231 15.999 > 33 35 O 0.28414787117542 0.74930178327593 0.88785871003769 15.999 > 35 36 O 0.78414787117542 0.74930178327593 0.88785871003769 15.999 > 35 37 O 0.28414787117542 0.75069821672407 0.38785871003769 15.999 > 37 38 O 0.78414787117542 0.75069821672407 0.38785871003769 15.999 > 37 39 O 0.21585212882458 0.25069821672407 0.11214128996231 15.999 > 39 40 O 0.71585212882458 0.25069821672407 0.11214128996231 15.999 > 39 41 O 0.03621120716428 0.26746539307680 0.47479276129420 15.999 > 41 42 O 0.53621120716428 0.26746539307680 0.47479276129420 15.999 > 41 43 O 0.46378879283572 0.76746539307680 0.02520723870581 15.999 > 43 44 O 0.96378879283572 0.76746539307680 0.02520723870581 15.999 > 43 45 O 0.46378879283572 0.73253460692320 0.52520723870580 15.999 > 45 46 O 0.96378879283572 0.73253460692320 0.52520723870580 15.999 > 45 47 O 0.03621120716428 0.23253460692320 0.97479276129420 15.999 > 47 48 O 0.53621120716428 0.23253460692320 0.97479276129420 15.999 > 47 49 O 0.39194421579307 0.22118607755072 0.74885340284021 15.999 > 49 50 O 0.89194421579307 0.22118607755072 0.74885340284021 15.999 > 49 51 O 0.10805578420693 0.72118607755072 0.75114659715979 15.999 > 51 52 O 0.60805578420693 0.72118607755072 0.75114659715979 15.999 > 51 53 O 0.10805578420693 0.77881392244928 0.25114659715979 15.999 > 53 54 O 0.60805578420693 0.77881392244928 0.25114659715979 15.999 > 53 55 O 0.39194421579307 0.27881392244928 0.24885340284021 15.999 > 55 56 O 0.89194421579307 0.27881392244928 0.24885340284021 15.999 > 55 57 O 0.11742417166618 0.22201567646693 0.76783046967570 15.999 > 57 58 O 0.61742417166618 0.22201567646693 0.76783046967570 15.999 > 57 59 O 0.38257582833382 0.72201567646693 0.73216953032430 15.999 > 59 60 O 0.88257582833382 0.72201567646693 0.73216953032430 15.999 > 59 61 O 0.38257582833382 0.77798432353307 0.23216953032431 15.999 > 61 62 O 0.88257582833382 0.77798432353307 0.23216953032431 15.999 > 61 63 O 0.11742417166618 0.27798432353307 0.26783046967570 15.999 > 63 64 O 0.61742417166618 0.27798432353307 0.26783046967570 15.999 > 63 65 O 0.11142399647570 0.03199202727191 0.17534794310730 15.999 > 65 66 O 0.61142399647570 0.03199202727191 0.17534794310730 15.999 > 65 67 O 0.38857600352430 0.53199202727191 0.32465205689270 15.999 > 67 68 O 0.88857600352430 0.53199202727191 0.32465205689270 15.999 > 67 69 O 0.38857600352430 0.96800797272809 0.82465205689270 15.999 > 69 70 O 0.88857600352430 0.96800797272809 0.82465205689270 15.999 > 69 71 O 0.31973305219125 0.22778660619938 0.95973688482523 15.999 > 71 72 O 0.81973305219125 0.22778660619938 0.95973688482523 15.999 > 71 73 Ga 0.32746125776980 0.31335563184840 0.61530826241102 69.723 > 73 74 Ga 0.82746125776980 0.31335563184840 0.61530826241102 69.723 > 73 75 Ga 0.17253874223020 0.81335563184840 0.88469173758898 69.723 > 75 76 Ga 0.67253874223020 0.81335563184840 0.88469173758898 69.723 > 75 77 Ga 0.17253874223020 0.68664436815160 0.38469173758898 69.723 > 77 78 Ga 0.67253874223020 0.68664436815160 0.38469173758898 69.723 > 77 79 Ga 0.32746125776980 0.18664436815159 0.11530826241102 69.723 > 79 80 Ga 0.82746125776980 0.18664436815159 0.11530826241102 69.723 > 79 81 Ga 0.10872480968780 0.31018457755549 0.62743394453293 69.723 > 81 82 Ga 0.60872480968780 0.31018457755549 0.62743394453293 69.723 > 81 83 Ga 0.39127519031220 0.81018457755549 0.87256605546707 69.723 > 83 84 Ga 0.89127519031220 0.81018457755549 0.87256605546707 69.723 > 83 85 Ga 0.39127519031220 0.68981542244451 0.37256605546707 69.723 > 85 86 Ga 0.89127519031220 0.68981542244451 0.37256605546707 69.723 > 85 87 Ga 0.10872480968780 0.18981542244451 0.12743394453293 69.723 > 87 88 Ga 0.60872480968780 0.18981542244451 0.12743394453293 69.723 > 87 89 Pr 0.41699380187350 0.37871984910269 0.91053495867529 140.908 > 89 90 Pr 0.91699380187350 0.37871984910269 0.91053495867529 140.908 > 89 91 Pr 0.08300619812650 0.87871984910269 0.58946504132471 140.908 > 91 92 Pr 0.58300619812650 0.87871984910269 0.58946504132471 140.908 > 91 93 Pr 0.08300619812650 0.62128015089731 0.08946504132471 140.908 > 93 94 Pr 0.58300619812650 0.62128015089731 0.08946504132471 140.908 > 93 95 Pr 0.41699380187350 0.12128015089731 0.41053495867529 140.908 > 95 96 Pr 0.91699380187350 0.12128015089731 0.41053495867529 140.908 > 95 97 Pr 0.16646068434165 0.37838225189912 0.92665318635405 140.908 > 97 98 Pr 0.66646068434165 0.37838225189912 0.92665318635405 140.908 > 97 99 Pr 0.33353931565835 0.87838225189912 0.57334681364595 140.908 > 99 100 Pr 0.83353931565835 0.87838225189912 0.57334681364595 140.908 > 99 101 Pr 0.33353931565835 0.62161774810088 0.07334681364595 140.908 > 101 102 Pr 0.83353931565835 0.62161774810088 0.07334681364595 140.908 > 101 103 Pr 0.16646068434165 0.12161774810088 0.42665318635404 140.908 > 103 104 Pr 0.66646068434165 0.12161774810088 0.42665318635404 140.908 > 103 105 Pr 0.01224158050983 0.41300909926260 0.30711930694705 140.908 > 105 106 Pr 0.51224158050983 0.41300909926260 0.30711930694705 140.908 > 105 107 Pr 0.48775841949017 0.91300909926260 0.19288069305295 140.908 > 107 108 Pr 0.98775841949017 0.91300909926260 0.19288069305295 140.908 > 107 109 Pr 0.48775841949017 0.58699090073740 0.69288069305295 140.908 > 109 110 Pr 0.98775841949017 0.58699090073740 0.69288069305295 140.908 > 109 111 Pr 0.01224158050983 0.08699090073740 0.80711930694705 140.908 > 111 112 Pr 0.51224158050983 0.08699090073740 0.80711930694705 140.908 > 111 113 Pr 0.26047444610727 0.39652675527854 0.28233908946138 140.908 > 113 114 Pr 0.76047444610727 0.39652675527854 0.28233908946138 140.908 > 113 115 Pr 0.23952555389273 0.89652675527854 0.21766091053862 140.908 > 115 116 Pr 0.73952555389273 0.89652675527854 0.21766091053862 140.908 > 115 117 Pr 0.23952555389273 0.60347324472146 0.71766091053862 140.908 > 117 118 Pr 0.73952555389273 0.60347324472146 0.71766091053862 140.908 > 117 119 Pr 0.26047444610727 0.10347324472145 0.78233908946138 140.908 > 119 120 Pr 0.76047444610727 0.10347324472145 0.78233908946138 140.908 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0340165 0.0000000 0.0294503 0.0000000 4.0580092 0.0000000 0.0294526 0.0000000 3.9863050 -------------------------- Born effective charges -------------------------- 1 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 2 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 3 O -2.7880015 -0.0826475 0.0417264 -0.0170926 -2.4292635 0.1315905 0.0356121 0.1592816 -2.5628093 4 O -2.7880015 0.0826475 0.0417264 0.0170926 -2.4292635 -0.1315905 0.0356121 -0.1592816 -2.5628093 5 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 6 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 7 O -2.6642890 0.0633137 -0.0413732 0.0028684 -2.2465626 0.1953784 -0.0684349 0.1229116 -2.7022459 8 O -2.6642890 -0.0633137 -0.0413732 -0.0028684 -2.2465626 -0.1953784 -0.0684349 -0.1229116 -2.7022459 9 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 10 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 11 O -2.2204678 -0.0312763 0.0180655 -0.1078650 -2.6856116 -0.2939093 0.0065674 -0.2538729 -1.8148339 12 O -2.2204678 0.0312763 0.0180655 0.1078650 -2.6856116 0.2939093 0.0065674 0.2538729 -1.8148339 13 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 14 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 15 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 16 O -1.9961954 0.2971304 0.3570985 0.2271139 -2.1171165 0.1855270 0.1963640 0.1660441 -2.7983569 17 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 18 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 19 O -2.5144475 -0.0045019 0.0089257 0.0049656 -1.8708495 -0.1008692 -0.0097837 -0.1755696 -2.1078025 20 O -2.5144475 0.0045019 0.0089257 -0.0049656 -1.8708495 0.1008692 -0.0097837 0.1755696 -2.1078025 21 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 22 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 23 O -2.0726043 -0.3168735 -0.4442304 -0.2424205 -2.2059958 -0.0337672 -0.2801626 0.0693528 -2.5630241 24 O -2.0726043 0.3168735 -0.4442304 0.2424205 -2.2059958 0.0337672 -0.2801626 -0.0693528 -2.5630241 25 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 26 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 27 O -2.3693195 0.4453486 -0.3748303 0.3209900 -2.5361206 0.1035629 -0.2003331 -0.0788714 -2.1326554 28 O -2.3693195 -0.4453486 -0.3748303 -0.3209900 -2.5361206 -0.1035629 -0.2003331 0.0788714 -2.1326554 29 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 30 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 31 O -2.3786299 -0.3738995 0.3079747 -0.2227682 -2.5467145 -0.0803813 0.1545087 -0.1885034 -2.2139533 32 O -2.3786299 0.3738995 0.3079747 0.2227682 -2.5467145 0.0803813 0.1545087 0.1885034 -2.2139533 33 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 34 O -2.2773870 0.0541268 -0.0783657 0.1292413 -2.8009680 -0.3194694 -0.0474442 -0.3262804 -1.7455748 35 O -2.2773870 -0.0541268 -0.0783657 -0.1292413 -2.8009680 0.3194694 -0.0474442 0.3262804 -1.7455748 36 O -1.9961954 -0.2971304 0.3570985 -0.2271139 -2.1171165 -0.1855270 0.1963640 -0.1660441 -2.7983569 37 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 38 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 39 Ga 2.2257704 0.2481909 0.0273488 0.2843339 2.7406788 0.2579239 -0.0515186 0.3963277 3.1125460 40 Ga 2.2257704 -0.2481909 0.0273488 -0.2843339 2.7406788 -0.2579239 -0.0515186 -0.3963277 3.1125460 41 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 42 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 43 Ga 2.2400944 -0.2508460 -0.0023120 -0.2960782 2.7795581 0.3023525 0.0699573 0.3583571 3.0176273 44 Ga 2.2400944 0.2508460 -0.0023120 0.2960782 2.7795581 -0.3023525 0.0699573 -0.3583571 3.0176273 45 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 46 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 47 Pr 4.3533425 -0.0942198 0.0144767 -0.0838389 3.9413658 0.4002422 0.0255955 0.3126862 3.3682386 48 Pr 4.3533425 0.0942198 0.0144767 0.0838389 3.9413658 -0.4002422 0.0255955 -0.3126862 3.3682386 49 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 50 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 51 Pr 3.9400130 0.0865999 0.0720311 0.0849730 3.8268722 0.2504947 0.0698167 0.2349643 3.8042663 52 Pr 3.9400130 -0.0865999 0.0720311 -0.0849730 3.8268722 -0.2504947 0.0698167 -0.2349643 3.8042663 53 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 54 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 55 Pr 4.6224336 0.0168863 0.0420631 0.0406478 4.0659144 -0.7174185 -0.0410807 -0.7767592 3.5323326 56 Pr 4.6224336 -0.0168863 0.0420631 -0.0406478 4.0659144 0.7174185 -0.0410807 0.7767592 3.5323326 57 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 58 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 59 Pr 3.8996879 0.0191714 0.0514011 0.0046129 4.0848131 -0.5215298 0.1403359 -0.6445809 3.8062453 60 Pr 3.8996879 -0.0191714 0.0514011 -0.0046129 4.0848131 0.5215298 0.1403359 0.6445809 3.8062453 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 7 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: 0.42, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 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 1.713 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.520 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.910 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.317 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.679 ( 0.000 0.000 0.000) 0.000 14.685 ( 0.000 0.000 0.000) 0.000 14.935 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.336 ( 0.000 0.000 0.000) 0.000 17.076 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000 17.519 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.528 ( 0.000 0.000 0.000) 0.000 18.576 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.913 ( 0.000 0.000 0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.239 ( 0.000 0.000 0.000) 0.000 19.447 ( 0.000 0.000 0.000) 0.000 19.511 ( 0.000 0.000 0.000) 0.000 19.659 ( 0.000 0.000 0.000) 0.000 19.716 ( 0.000 0.000 0.000) 0.000 20.412 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 20.653 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 20.818 ( 0.000 0.000 0.000) 0.000 20.996 ( 0.000 0.000 0.000) 0.000 21.457 ( 0.000 0.000 0.000) 0.000 22.289 ( 0.000 0.000 0.000) 0.000 22.348 ( 0.000 0.000 0.000) 0.000 22.356 ( 0.000 0.000 0.000) 0.000 22.396 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 29.705 0.000 -1.250) 29.731 0.567 ( 27.037 0.000 11.363) 29.328 1.062 ( 47.580 0.000 15.624) 50.080 1.639 ( -5.384 0.000 -14.881) 15.825 1.753 ( 4.289 0.000 5.263) 6.789 1.850 ( -1.739 0.000 7.361) 7.564 1.978 ( 7.156 0.000 -4.024) 8.209 2.000 ( 2.256 0.000 -12.190) 12.397 2.080 ( 4.319 0.000 5.351) 6.877 2.227 ( 8.946 0.000 -4.297) 9.924 2.322 ( 10.139 0.000 7.945) 12.881 2.468 ( 0.614 0.000 -8.351) 8.373 2.547 ( 0.781 0.000 2.220) 2.354 2.557 ( 2.290 0.000 -0.786) 2.421 2.608 ( 0.948 0.000 -3.765) 3.883 2.680 ( 0.835 0.000 -1.745) 1.935 2.712 ( -2.264 0.000 1.706) 2.835 2.767 ( -2.947 0.000 -2.580) 3.917 2.859 ( -3.055 0.000 -5.910) 6.653 2.868 ( -0.197 0.000 -2.215) 2.224 2.904 ( -0.993 0.000 -6.013) 6.095 3.025 ( 2.019 0.000 0.661) 2.125 3.099 ( 0.645 0.000 0.311) 0.716 3.167 ( 3.019 0.000 -0.133) 3.022 3.196 ( 1.255 0.000 7.652) 7.754 3.213 ( 0.199 0.000 0.235) 0.307 3.252 ( -3.393 0.000 2.311) 4.105 3.285 ( -3.482 0.000 -0.226) 3.489 3.301 ( 0.127 0.000 0.514) 0.530 3.375 ( -0.098 0.000 4.253) 4.254 3.402 ( 3.675 0.000 -5.340) 6.483 3.473 ( 1.116 0.000 -1.195) 1.635 3.485 ( 7.161 0.000 2.076) 7.456 3.600 ( 0.844 0.000 4.342) 4.423 3.623 ( -8.310 0.000 4.330) 9.370 3.740 ( 4.438 0.000 -0.695) 4.492 3.828 ( 0.997 0.000 -5.326) 5.418 3.941 ( 0.529 0.000 -5.377) 5.403 3.965 ( -2.154 0.000 4.539) 5.024 4.007 ( -1.250 0.000 -0.579) 1.378 4.126 ( -0.986 0.000 -4.289) 4.401 4.127 ( 7.406 0.000 -3.217) 8.074 4.260 ( -2.091 0.000 3.948) 4.468 4.278 ( -6.329 0.000 1.723) 6.559 4.336 ( -3.360 0.000 -0.173) 3.364 4.425 ( -1.401 0.000 1.137) 1.804 4.505 ( 5.173 0.000 7.145) 8.821 4.647 ( 8.665 0.000 -6.625) 10.908 4.665 ( 0.468 0.000 -7.148) 7.164 4.762 ( 0.951 0.000 1.553) 1.821 4.794 ( -1.286 0.000 0.729) 1.478 4.868 ( -1.294 0.000 1.864) 2.269 4.882 ( -5.543 0.000 -1.834) 5.838 5.002 ( -5.332 0.000 6.479) 8.390 5.207 ( 0.334 0.000 1.074) 1.125 5.208 ( -1.845 0.000 -4.798) 5.141 5.393 ( -1.605 0.000 5.610) 5.835 5.394 ( 3.983 0.000 7.405) 8.409 5.449 ( 3.118 0.000 1.645) 3.525 5.451 ( 2.962 0.000 -0.622) 3.027 5.595 ( -3.270 0.000 -3.670) 4.916 5.612 ( -4.240 0.000 -2.309) 4.828 5.780 ( -2.893 0.000 1.808) 3.411 5.858 ( -7.997 0.000 4.430) 9.142 5.882 ( -6.315 0.000 4.534) 7.775 5.910 ( -2.149 0.000 1.265) 2.493 5.999 ( -6.149 0.000 0.475) 6.168 6.030 ( 0.019 0.000 -1.739) 1.739 6.152 ( -3.124 0.000 -1.583) 3.503 6.292 ( -4.998 0.000 -8.706) 10.039 6.459 ( 1.158 0.000 -5.218) 5.345 6.486 ( 1.154 0.000 2.239) 2.519 6.600 ( -3.116 0.000 1.099) 3.304 6.621 ( 1.919 0.000 1.831) 2.652 6.640 ( -1.564 0.000 4.549) 4.810 6.710 ( 0.633 0.000 -2.499) 2.578 6.796 ( -0.227 0.000 -3.080) 3.088 6.819 ( 0.790 0.000 4.380) 4.450 6.934 ( -1.882 0.000 -0.148) 1.888 6.942 ( 2.646 0.000 -3.775) 4.610 7.135 ( -0.853 0.000 -4.099) 4.187 7.282 ( 8.515 0.000 4.555) 9.657 7.390 ( -4.577 0.000 3.415) 5.711 7.471 ( 2.203 0.000 5.312) 5.750 7.723 ( 8.341 0.000 2.036) 8.586 7.774 ( 0.791 0.000 0.408) 0.890 7.901 ( 0.749 0.000 -0.338) 0.822 7.954 ( -0.975 0.000 -1.010) 1.403 7.968 ( -2.608 0.000 -0.173) 2.614 8.089 ( 7.649 0.000 -6.260) 9.884 8.321 ( -5.336 0.000 -7.079) 8.864 8.344 ( -4.346 0.000 -1.232) 4.518 8.555 ( 0.798 0.000 -4.359) 4.432 8.677 ( 4.801 0.000 3.302) 5.827 8.769 ( 4.559 0.000 -0.043) 4.560 8.785 ( 1.397 0.000 0.620) 1.529 8.906 ( 9.234 0.000 1.338) 9.331 8.940 ( 0.845 0.000 1.943) 2.119 8.982 ( 3.994 0.000 -0.985) 4.113 9.084 ( -6.716 0.000 1.615) 6.907 9.275 ( -10.524 0.000 -3.783) 11.183 9.295 ( -1.474 0.000 -2.929) 3.279 9.427 ( -2.604 0.000 7.331) 7.780 9.442 ( 2.661 0.000 0.604) 2.728 9.622 ( 2.866 0.000 -2.059) 3.528 9.626 ( 0.246 0.000 1.230) 1.255 9.671 ( 2.710 0.000 -3.407) 4.353 9.811 ( -0.856 0.000 -0.439) 0.962 9.840 ( 4.119 0.000 3.427) 5.358 9.934 ( 1.470 0.000 -6.508) 6.672 9.940 ( 0.817 0.000 -2.139) 2.290 9.960 ( -0.351 0.000 2.290) 2.317 10.048 ( 4.358 0.000 2.502) 5.025 10.218 ( -0.767 0.000 1.452) 1.642 10.291 ( -0.359 0.000 -1.683) 1.721 10.373 ( 0.044 0.000 -4.007) 4.007 10.441 ( -2.895 0.000 -1.195) 3.132 10.548 ( -2.075 0.000 -1.986) 2.872 10.551 ( -0.865 0.000 1.512) 1.742 10.636 ( 2.391 0.000 2.781) 3.668 10.649 ( -0.995 0.000 -5.355) 5.447 10.690 ( -3.338 0.000 4.522) 5.621 10.760 ( -1.908 0.000 0.758) 2.053 10.887 ( 1.938 0.000 1.765) 2.622 11.072 ( -2.467 0.000 -1.981) 3.164 11.220 ( 0.256 0.000 0.850) 0.888 11.255 ( 4.479 0.000 -13.640) 14.357 11.322 ( -6.281 0.000 -3.296) 7.094 11.412 ( 0.515 0.000 2.153) 2.214 11.576 ( 1.561 0.000 1.696) 2.305 11.704 ( -5.179 0.000 0.770) 5.236 11.715 ( -5.146 0.000 -2.594) 5.763 11.859 ( 5.194 0.000 -1.725) 5.473 11.860 ( -1.424 0.000 0.899) 1.684 12.135 ( -0.229 0.000 0.778) 0.811 12.424 ( -0.823 0.000 -7.761) 7.805 12.767 ( 0.675 0.000 -1.396) 1.551 12.862 ( -0.727 0.000 2.238) 2.353 12.994 ( 8.798 0.000 -0.083) 8.799 13.609 ( 4.869 0.000 3.596) 6.053 13.734 ( -1.364 0.000 3.150) 3.433 13.816 ( -3.015 0.000 -11.797) 12.177 14.108 ( 12.376 0.000 -26.572) 29.313 14.132 ( -2.811 0.000 1.183) 3.050 14.284 ( -1.376 0.000 -4.256) 4.473 14.423 ( -11.893 0.000 35.870) 37.790 14.595 ( 0.927 0.000 -0.564) 1.085 14.658 ( -2.179 0.000 -0.301) 2.199 14.751 ( 3.662 0.000 -2.370) 4.362 14.944 ( 0.923 0.000 -0.035) 0.923 15.025 ( 2.351 0.000 0.584) 2.422 15.339 ( 0.208 0.000 0.365) 0.420 17.022 ( -3.629 0.000 -3.017) 4.720 17.256 ( 4.607 0.000 0.883) 4.691 17.257 ( -1.858 0.000 -2.598) 3.194 17.484 ( 2.924 0.000 -7.838) 8.365 17.642 ( 11.412 0.000 -4.803) 12.382 17.827 ( 5.938 0.000 -2.615) 6.488 18.553 ( 2.450 0.000 -0.431) 2.488 18.567 ( -0.845 0.000 -0.016) 0.845 18.772 ( -2.216 0.000 -1.285) 2.562 18.813 ( 12.103 0.000 -19.795) 23.202 19.219 ( 0.026 0.000 0.828) 0.828 19.282 ( 6.266 0.000 -12.694) 14.157 19.294 ( 2.515 0.000 3.573) 4.369 19.439 ( -0.998 0.000 0.549) 1.139 19.631 ( -2.246 0.000 -0.988) 2.453 19.703 ( -1.586 0.000 1.126) 1.945 20.153 ( -20.112 0.000 66.448) 69.425 20.343 ( -6.512 0.000 1.731) 6.738 20.500 ( -6.093 0.000 -0.293) 6.100 20.630 ( -1.311 0.000 -1.616) 2.081 20.714 ( -5.685 0.000 -4.983) 7.559 20.849 ( 1.481 0.000 2.005) 2.493 20.959 ( -3.481 0.000 -1.700) 3.874 21.415 ( -4.848 0.000 0.715) 4.900 22.323 ( 3.042 0.000 0.894) 3.170 22.354 ( 0.579 0.000 -1.144) 1.282 22.410 ( 1.196 0.000 -0.137) 1.204 22.426 ( 2.269 0.000 -1.889) 2.953 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 28.865 0.000 -1.359) 28.897 1.125 ( 25.633 0.000 11.244) 27.990 1.456 ( -2.697 0.000 -13.653) 13.916 1.576 ( 1.117 0.000 6.444) 6.540 1.831 ( -4.679 0.000 7.044) 8.456 1.979 ( 7.081 0.000 -9.398) 11.767 2.130 ( 11.506 0.000 -3.510) 12.030 2.216 ( 25.986 0.000 5.820) 26.629 2.236 ( 6.779 0.000 0.212) 6.782 2.345 ( 0.630 0.000 -0.293) 0.695 2.346 ( 6.509 0.000 -8.735) 10.894 2.438 ( -7.448 0.000 -6.302) 9.757 2.496 ( 1.972 0.000 0.819) 2.135 2.596 ( -4.373 0.000 0.452) 4.397 2.643 ( 5.182 0.000 -0.372) 5.195 2.654 ( -0.326 0.000 2.468) 2.490 2.702 ( -0.750 0.000 -6.607) 6.649 2.743 ( 4.159 0.000 1.443) 4.403 2.820 ( -3.365 0.000 -1.104) 3.541 2.829 ( -1.754 0.000 1.312) 2.191 2.880 ( 1.346 0.000 -3.565) 3.810 3.037 ( -0.945 0.000 0.460) 1.051 3.065 ( 0.393 0.000 -0.626) 0.739 3.147 ( -7.148 0.000 -0.822) 7.195 3.173 ( -0.129 0.000 4.445) 4.447 3.177 ( -3.247 0.000 4.429) 5.492 3.238 ( 2.501 0.000 -1.347) 2.841 3.301 ( -0.087 0.000 3.306) 3.307 3.335 ( 5.899 0.000 1.928) 6.206 3.448 ( 1.629 0.000 1.565) 2.259 3.454 ( -0.385 0.000 -1.597) 1.643 3.506 ( -0.862 0.000 -8.560) 8.603 3.577 ( 9.245 0.000 3.325) 9.824 3.633 ( 2.534 0.000 6.858) 7.311 3.682 ( 4.982 0.000 -1.823) 5.306 3.768 ( -2.011 0.000 -0.150) 2.016 3.851 ( 6.912 0.000 0.211) 6.916 3.908 ( 0.708 0.000 -5.117) 5.166 3.948 ( 1.310 0.000 -5.427) 5.583 4.009 ( 1.377 0.000 8.410) 8.522 4.116 ( -1.691 0.000 -2.095) 2.692 4.177 ( -7.678 0.000 4.097) 8.703 4.255 ( 1.045 0.000 2.424) 2.640 4.272 ( 0.822 0.000 3.061) 3.169 4.276 ( 8.873 0.000 -4.152) 9.797 4.442 ( 1.127 0.000 1.273) 1.700 4.578 ( 2.168 0.000 -1.955) 2.920 4.585 ( -5.516 0.000 -4.094) 6.869 4.727 ( -5.985 0.000 -1.187) 6.101 4.740 ( 1.831 0.000 -3.878) 4.289 4.832 ( 8.022 0.000 7.647) 11.083 4.840 ( -2.667 0.000 1.705) 3.166 4.897 ( 2.466 0.000 0.266) 2.480 4.936 ( -3.378 0.000 -2.076) 3.965 5.129 ( -12.229 0.000 -8.262) 14.759 5.203 ( -2.339 0.000 2.511) 3.432 5.254 ( -2.387 0.000 -4.595) 5.178 5.430 ( -3.864 0.000 4.960) 6.288 5.474 ( -5.599 0.000 -4.289) 7.053 5.493 ( -5.933 0.000 4.362) 7.364 5.526 ( 0.929 0.000 3.378) 3.504 5.541 ( 5.657 0.000 4.035) 6.949 5.762 ( -1.309 0.000 -1.545) 2.025 5.764 ( -7.007 0.000 4.259) 8.200 5.811 ( -0.257 0.000 3.477) 3.487 5.853 ( -4.180 0.000 -3.957) 5.755 5.914 ( -2.571 0.000 1.629) 3.044 6.046 ( 0.850 0.000 -1.078) 1.372 6.057 ( -5.249 0.000 -2.948) 6.020 6.174 ( -1.006 0.000 -4.939) 5.041 6.429 ( -3.154 0.000 -0.748) 3.242 6.485 ( -3.866 0.000 -3.369) 5.128 6.546 ( -5.306 0.000 0.104) 5.307 6.548 ( 0.300 0.000 2.966) 2.981 6.706 ( 0.771 0.000 3.362) 3.449 6.732 ( 2.151 0.000 -1.283) 2.505 6.782 ( 1.410 0.000 -1.578) 2.116 6.863 ( -0.096 0.000 6.724) 6.725 6.932 ( 1.079 0.000 0.090) 1.083 6.992 ( 2.588 0.000 -8.176) 8.575 7.117 ( 4.860 0.000 -3.281) 5.864 7.351 ( -3.257 0.000 5.771) 6.627 7.374 ( -3.149 0.000 1.603) 3.533 7.521 ( 1.568 0.000 5.976) 6.178 7.824 ( -0.944 0.000 -0.825) 1.254 7.828 ( 2.359 0.000 -1.526) 2.809 7.886 ( 3.146 0.000 -2.314) 3.906 7.975 ( 5.067 0.000 2.052) 5.466 7.998 ( 2.537 0.000 3.288) 4.153 8.174 ( 3.660 0.000 -2.524) 4.446 8.211 ( -0.784 0.000 -7.682) 7.722 8.284 ( -0.264 0.000 -2.032) 2.049 8.553 ( 1.197 0.000 -2.487) 2.760 8.760 ( -2.553 0.000 -1.948) 3.211 8.778 ( 3.615 0.000 0.342) 3.631 8.865 ( -0.936 0.000 2.833) 2.984 8.918 ( 4.516 0.000 -1.797) 4.861 8.931 ( -7.100 0.000 4.590) 8.454 9.054 ( 1.743 0.000 -2.163) 2.778 9.129 ( -0.887 0.000 -3.035) 3.162 9.137 ( 9.247 0.000 -0.414) 9.256 9.258 ( -1.917 0.000 1.026) 2.174 9.429 ( -0.568 0.000 4.131) 4.170 9.493 ( 1.918 0.000 -0.086) 1.920 9.630 ( -2.465 0.000 -1.841) 3.076 9.637 ( 0.251 0.000 -3.337) 3.346 9.678 ( 1.354 0.000 5.362) 5.530 9.800 ( -0.742 0.000 0.668) 0.998 9.895 ( 1.146 0.000 -6.120) 6.226 9.926 ( -0.008 0.000 1.116) 1.116 9.929 ( 0.953 0.000 -0.159) 0.966 9.996 ( 3.307 0.000 1.456) 3.614 10.157 ( 1.364 0.000 2.031) 2.446 10.223 ( 0.939 0.000 0.972) 1.352 10.321 ( 4.791 0.000 1.765) 5.106 10.336 ( -1.525 0.000 -3.015) 3.378 10.362 ( -2.925 0.000 -3.141) 4.292 10.491 ( -1.680 0.000 -2.658) 3.144 10.531 ( -2.538 0.000 0.911) 2.697 10.576 ( -2.561 0.000 -4.968) 5.589 10.672 ( -1.207 0.000 3.412) 3.619 10.720 ( 3.773 0.000 3.294) 5.008 10.752 ( 0.483 0.000 0.807) 0.941 10.906 ( -0.746 0.000 1.219) 1.429 11.013 ( -2.832 0.000 0.279) 2.846 11.191 ( -6.303 0.000 -2.005) 6.614 11.215 ( -3.904 0.000 3.021) 4.937 11.239 ( 2.860 0.000 -9.086) 9.526 11.458 ( 2.006 0.000 5.094) 5.474 11.577 ( -1.306 0.000 -0.674) 1.469 11.608 ( -3.034 0.000 -4.256) 5.227 11.612 ( -4.386 0.000 -0.460) 4.410 11.824 ( -2.775 0.000 0.680) 2.857 11.958 ( 5.750 0.000 -0.188) 5.753 12.133 ( -0.866 0.000 1.351) 1.605 12.326 ( -4.523 0.000 -6.503) 7.921 12.773 ( 0.980 0.000 -1.403) 1.711 12.862 ( -1.022 0.000 2.592) 2.787 13.175 ( 9.692 0.000 -0.807) 9.725 13.696 ( -3.238 0.000 -6.122) 6.926 13.745 ( 0.397 0.000 5.004) 5.019 13.750 ( 7.049 0.000 3.789) 8.003 14.067 ( -4.935 0.000 0.783) 4.997 14.111 ( -0.543 0.000 -6.102) 6.126 14.243 ( 1.016 0.000 -7.022) 7.095 14.441 ( -3.731 0.000 14.618) 15.087 14.605 ( -2.728 0.000 -0.966) 2.894 14.612 ( 0.938 0.000 0.039) 0.938 14.809 ( 3.186 0.000 -0.234) 3.195 14.962 ( 0.932 0.000 -0.202) 0.954 15.082 ( 2.980 0.000 0.713) 3.064 15.346 ( 0.286 0.000 0.289) 0.406 16.936 ( -3.257 0.000 -2.686) 4.222 17.194 ( -2.688 0.000 -2.245) 3.502 17.353 ( 4.952 0.000 0.318) 4.962 17.496 ( 1.417 0.000 -2.294) 2.696 17.861 ( 12.932 0.000 0.978) 12.969 17.960 ( 10.745 0.000 -3.597) 11.331 18.544 ( -1.854 0.000 0.037) 1.854 18.563 ( -3.212 0.000 -0.739) 3.296 18.738 ( 0.529 0.000 -0.524) 0.745 18.928 ( 9.280 0.000 -7.192) 11.741 19.233 ( 0.571 0.000 1.434) 1.544 19.303 ( -4.501 0.000 1.319) 4.690 19.325 ( 5.544 0.000 -8.617) 10.247 19.423 ( -1.139 0.000 1.075) 1.566 19.618 ( 2.493 0.000 0.127) 2.496 19.680 ( -1.573 0.000 1.353) 2.075 20.224 ( -7.091 0.000 32.142) 32.914 20.259 ( -3.465 0.000 3.138) 4.675 20.349 ( -9.697 0.000 1.084) 9.757 20.561 ( -5.187 0.000 -7.992) 9.528 20.598 ( -1.221 0.000 -0.999) 1.578 20.855 ( -5.767 0.000 -3.315) 6.652 20.873 ( -0.104 0.000 1.706) 1.709 21.295 ( -8.061 0.000 0.361) 8.069 22.367 ( 1.586 0.000 -1.144) 1.955 22.393 ( 3.434 0.000 1.076) 3.598 22.426 ( 0.615 0.000 -0.395) 0.731 22.460 ( 1.941 0.000 -0.091) 1.944 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.247 0.000 -3.880) 3.888 1.500 ( 12.377 0.000 -9.587) 15.656 1.601 ( 8.093 0.000 11.643) 14.179 1.677 ( 23.698 0.000 6.400) 24.547 1.791 ( -1.959 0.000 2.999) 3.582 2.017 ( -10.306 0.000 2.612) 10.631 2.092 ( -1.140 0.000 -8.369) 8.446 2.123 ( -15.271 0.000 -5.989) 16.403 2.232 ( -5.324 0.000 -4.380) 6.894 2.311 ( 9.449 0.000 -3.611) 10.115 2.468 ( 0.498 0.000 -0.090) 0.506 2.499 ( 3.768 0.000 -1.123) 3.932 2.537 ( -0.146 0.000 -2.429) 2.433 2.581 ( -2.296 0.000 -0.342) 2.321 2.596 ( 0.567 0.000 1.242) 1.365 2.651 ( -2.518 0.000 -1.279) 2.824 2.660 ( -3.182 0.000 -1.808) 3.660 2.790 ( 0.127 0.000 -0.603) 0.616 2.839 ( -1.418 0.000 2.627) 2.985 2.892 ( 0.558 0.000 -0.779) 0.958 2.916 ( 4.605 0.000 -1.236) 4.768 3.052 ( -3.345 0.000 1.506) 3.668 3.110 ( 2.473 0.000 1.337) 2.811 3.155 ( -1.292 0.000 1.863) 2.267 3.189 ( 6.557 0.000 6.140) 8.983 3.250 ( 5.147 0.000 2.329) 5.650 3.309 ( 3.030 0.000 3.428) 4.575 3.383 ( -3.207 0.000 -2.815) 4.267 3.384 ( 19.627 0.000 4.260) 20.084 3.407 ( -0.966 0.000 -1.263) 1.590 3.460 ( 3.392 0.000 0.807) 3.487 3.476 ( 0.765 0.000 -4.145) 4.215 3.622 ( -4.940 0.000 1.133) 5.068 3.747 ( 5.216 0.000 3.730) 6.412 3.774 ( 5.679 0.000 1.063) 5.778 3.824 ( 4.963 0.000 -0.027) 4.963 3.919 ( 2.657 0.000 -2.206) 3.454 3.943 ( 2.874 0.000 -0.573) 2.931 3.962 ( -13.605 0.000 -0.802) 13.628 4.010 ( 3.825 0.000 -1.585) 4.141 4.061 ( -1.604 0.000 -6.930) 7.114 4.122 ( 0.188 0.000 6.202) 6.205 4.176 ( -4.741 0.000 5.646) 7.373 4.303 ( -8.320 0.000 -0.048) 8.320 4.425 ( -2.822 0.000 -3.141) 4.222 4.482 ( -4.247 0.000 -0.067) 4.248 4.498 ( 9.725 0.000 3.250) 10.254 4.554 ( -0.181 0.000 -8.690) 8.692 4.657 ( 8.838 0.000 -0.441) 8.849 4.757 ( 1.066 0.000 -2.130) 2.382 4.803 ( -0.760 0.000 -2.936) 3.033 4.847 ( -7.471 0.000 2.527) 7.887 4.862 ( -2.952 0.000 -2.623) 3.949 4.904 ( -5.265 0.000 1.769) 5.554 4.935 ( 0.942 0.000 -2.163) 2.359 5.193 ( -1.024 0.000 9.256) 9.312 5.289 ( -7.598 0.000 -0.760) 7.636 5.311 ( 6.591 0.000 -5.090) 8.328 5.415 ( 0.322 0.000 -1.393) 1.430 5.424 ( -5.131 0.000 4.833) 7.049 5.547 ( -0.683 0.000 0.444) 0.815 5.666 ( 2.901 0.000 6.236) 6.878 5.687 ( -3.321 0.000 0.090) 3.322 5.721 ( -1.434 0.000 -1.644) 2.182 5.802 ( 1.348 0.000 -2.393) 2.747 5.862 ( 4.150 0.000 0.851) 4.236 5.885 ( -1.393 0.000 0.612) 1.521 5.953 ( -3.410 0.000 -1.483) 3.718 5.968 ( -5.235 0.000 -3.593) 6.349 6.216 ( 3.187 0.000 0.068) 3.188 6.331 ( -4.925 0.000 0.944) 5.015 6.392 ( -3.072 0.000 -0.617) 3.134 6.520 ( 0.937 0.000 0.049) 0.938 6.588 ( 1.607 0.000 0.162) 1.615 6.674 ( -2.293 0.000 -0.606) 2.371 6.756 ( 0.817 0.000 -0.078) 0.820 6.838 ( 2.160 0.000 1.360) 2.552 6.889 ( -0.334 0.000 2.486) 2.509 6.938 ( -1.120 0.000 -4.713) 4.845 6.964 ( 1.728 0.000 0.183) 1.737 7.229 ( 6.265 0.000 -2.624) 6.793 7.281 ( -4.740 0.000 0.615) 4.780 7.326 ( -3.188 0.000 4.212) 5.282 7.566 ( 0.359 0.000 1.290) 1.339 7.773 ( -1.618 0.000 -1.212) 2.021 7.848 ( 1.165 0.000 -0.486) 1.262 7.953 ( 3.655 0.000 -0.671) 3.716 8.014 ( -1.926 0.000 1.052) 2.194 8.100 ( 4.472 0.000 2.555) 5.151 8.184 ( -0.767 0.000 -1.713) 1.877 8.198 ( 1.651 0.000 -2.651) 3.123 8.304 ( 2.611 0.000 -1.417) 2.971 8.550 ( -0.229 0.000 -0.771) 0.805 8.663 ( -4.663 0.000 -0.503) 4.691 8.759 ( -3.017 0.000 0.718) 3.101 8.872 ( 0.853 0.000 -0.040) 0.854 8.945 ( 3.522 0.000 2.668) 4.419 9.005 ( 3.301 0.000 -0.641) 3.362 9.052 ( 0.979 0.000 -1.844) 2.088 9.113 ( -1.312 0.000 -2.006) 2.397 9.250 ( -0.025 0.000 2.203) 2.203 9.252 ( 3.064 0.000 -0.498) 3.104 9.445 ( -0.106 0.000 0.894) 0.900 9.475 ( -1.932 0.000 -2.322) 3.021 9.595 ( 0.630 0.000 -0.004) 0.630 9.633 ( -0.515 0.000 -0.151) 0.536 9.735 ( 0.137 0.000 8.329) 8.330 9.790 ( -0.295 0.000 -0.175) 0.343 9.854 ( 0.869 0.000 -9.247) 9.288 9.939 ( 0.230 0.000 1.202) 1.224 9.997 ( 4.035 0.000 4.873) 6.326 10.034 ( -0.539 0.000 1.622) 1.709 10.108 ( -4.002 0.000 -4.251) 5.838 10.276 ( 3.676 0.000 -0.285) 3.687 10.290 ( -1.919 0.000 -0.515) 1.987 10.293 ( -1.195 0.000 -1.018) 1.570 10.428 ( 0.839 0.000 1.258) 1.512 10.458 ( -3.821 0.000 -0.815) 3.907 10.491 ( 3.342 0.000 -0.902) 3.461 10.533 ( -0.766 0.000 -0.313) 0.827 10.682 ( 0.487 0.000 0.934) 1.053 10.750 ( -0.117 0.000 1.347) 1.352 10.835 ( 5.253 0.000 0.441) 5.271 10.891 ( -0.853 0.000 0.363) 0.927 10.984 ( -0.707 0.000 0.453) 0.840 11.066 ( -5.678 0.000 -0.808) 5.736 11.139 ( -3.161 0.000 -0.994) 3.314 11.241 ( 0.596 0.000 -1.389) 1.512 11.529 ( 0.724 0.000 6.289) 6.330 11.542 ( -1.257 0.000 -0.467) 1.341 11.557 ( -1.250 0.000 -0.464) 1.334 11.563 ( 0.929 0.000 -5.126) 5.209 11.784 ( -1.432 0.000 0.256) 1.454 12.048 ( 3.867 0.000 -0.501) 3.899 12.116 ( -1.840 0.000 1.235) 2.216 12.211 ( -3.230 0.000 -3.252) 4.583 12.782 ( 0.481 0.000 -0.444) 0.655 12.859 ( -0.492 0.000 1.104) 1.209 13.292 ( 3.218 0.000 -0.693) 3.292 13.627 ( -1.203 0.000 -2.254) 2.555 13.829 ( 5.286 0.000 4.118) 6.701 13.889 ( 4.826 0.000 2.917) 5.639 13.961 ( -6.415 0.000 -1.318) 6.549 14.044 ( -2.953 0.000 -2.270) 3.725 14.222 ( 0.194 0.000 -2.713) 2.720 14.463 ( -0.611 0.000 4.053) 4.099 14.561 ( -1.253 0.000 -0.255) 1.279 14.625 ( 0.446 0.000 -0.112) 0.460 14.852 ( 1.272 0.000 0.063) 1.273 14.973 ( 0.307 0.000 -0.145) 0.340 15.128 ( 1.344 0.000 0.311) 1.380 15.351 ( 0.126 0.000 0.070) 0.145 16.881 ( -1.226 0.000 -1.044) 1.610 17.147 ( -1.176 0.000 -0.789) 1.417 17.421 ( 1.986 0.000 0.119) 1.989 17.503 ( 0.332 0.000 -0.594) 0.680 18.071 ( 7.233 0.000 1.103) 7.317 18.170 ( 14.022 0.000 -2.596) 14.260 18.411 ( -12.126 0.000 0.614) 12.142 18.501 ( -2.202 0.000 -0.163) 2.208 18.770 ( 1.676 0.000 -0.131) 1.681 19.029 ( 3.900 0.000 -1.517) 4.185 19.210 ( -3.603 0.000 -0.004) 3.603 19.251 ( 0.454 0.000 0.469) 0.653 19.367 ( 4.208 0.000 -6.443) 7.695 19.409 ( -1.955 0.000 2.805) 3.420 19.669 ( -0.330 0.000 0.552) 0.643 19.681 ( 2.353 0.000 0.507) 2.407 20.198 ( -6.632 0.000 4.934) 8.266 20.251 ( -0.037 0.000 1.842) 1.842 20.282 ( -1.624 0.000 7.016) 7.202 20.471 ( -0.331 0.000 -2.842) 2.861 20.577 ( -0.493 0.000 -0.308) 0.581 20.737 ( -3.740 0.000 -2.655) 4.586 20.875 ( -0.267 0.000 0.633) 0.687 21.166 ( -4.664 0.000 -0.119) 4.665 22.389 ( 1.063 0.000 -0.411) 1.140 22.427 ( -0.133 0.000 -0.256) 0.288 22.446 ( 1.450 0.000 0.497) 1.533 22.487 ( 0.763 0.000 0.069) 0.766 ======================= Grid point 7 (5/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 28.081 0.000) 28.081 0.551 ( 0.000 30.006 0.000) 30.006 1.057 ( 0.000 56.947 0.000) 56.947 1.668 ( 0.000 -7.472 0.000) 7.472 1.737 ( 0.000 -5.980 0.000) 5.980 1.790 ( 0.000 -2.379 0.000) 2.379 1.960 ( 0.000 -7.707 0.000) 7.707 2.018 ( 0.000 6.449 0.000) 6.449 2.027 ( 0.000 1.003 0.000) 1.003 2.104 ( 0.000 1.875 0.000) 1.875 2.141 ( 0.000 2.468 0.000) 2.468 2.428 ( 0.000 -0.056 0.000) 0.056 2.492 ( 0.000 -1.744 0.000) 1.744 2.502 ( 0.000 -8.155 0.000) 8.155 2.570 ( 0.000 -0.992 0.000) 0.992 2.606 ( 0.000 -3.566 0.000) 3.566 2.759 ( 0.000 -1.288 0.000) 1.288 2.863 ( 0.000 -2.492 0.000) 2.492 2.875 ( 0.000 5.692 0.000) 5.692 2.915 ( 0.000 3.500 0.000) 3.500 2.990 ( 0.000 4.236 0.000) 4.236 3.065 ( 0.000 4.267 0.000) 4.267 3.101 ( 0.000 2.211 0.000) 2.211 3.138 ( 0.000 -1.364 0.000) 1.364 3.151 ( 0.000 3.095 0.000) 3.095 3.234 ( 0.000 0.093 0.000) 0.093 3.247 ( 0.000 0.391 0.000) 0.391 3.269 ( 0.000 4.657 0.000) 4.657 3.345 ( 0.000 2.139 0.000) 2.139 3.362 ( 0.000 -6.682 0.000) 6.682 3.439 ( 0.000 6.367 0.000) 6.367 3.450 ( 0.000 0.824 0.000) 0.824 3.496 ( 0.000 1.103 0.000) 1.103 3.580 ( 0.000 0.061 0.000) 0.061 3.653 ( 0.000 4.785 0.000) 4.785 3.689 ( 0.000 0.411 0.000) 0.411 3.733 ( 0.000 1.158 0.000) 1.158 3.892 ( 0.000 -10.306 0.000) 10.306 3.957 ( 0.000 -6.669 0.000) 6.669 3.961 ( 0.000 1.096 0.000) 1.096 4.017 ( 0.000 -11.118 0.000) 11.118 4.092 ( 0.000 2.575 0.000) 2.575 4.162 ( 0.000 -15.264 0.000) 15.264 4.281 ( 0.000 -4.647 0.000) 4.647 4.297 ( 0.000 4.589 0.000) 4.589 4.416 ( 0.000 -1.674 0.000) 1.674 4.438 ( 0.000 4.231 0.000) 4.231 4.490 ( 0.000 0.119 0.000) 0.119 4.669 ( 0.000 -8.491 0.000) 8.491 4.719 ( 0.000 -4.700 0.000) 4.700 4.760 ( 0.000 6.613 0.000) 6.613 4.820 ( 0.000 -4.577 0.000) 4.577 5.050 ( 0.000 3.527 0.000) 3.527 5.059 ( 0.000 4.596 0.000) 4.596 5.168 ( 0.000 -4.007 0.000) 4.007 5.189 ( 0.000 -0.498 0.000) 0.498 5.293 ( 0.000 -3.752 0.000) 3.752 5.388 ( 0.000 1.105 0.000) 1.105 5.438 ( 0.000 -4.567 0.000) 4.567 5.558 ( 0.000 4.692 0.000) 4.692 5.641 ( 0.000 -0.355 0.000) 0.355 5.660 ( 0.000 -0.072 0.000) 0.072 5.719 ( 0.000 5.056 0.000) 5.056 5.908 ( 0.000 1.505 0.000) 1.505 5.938 ( 0.000 -2.151 0.000) 2.151 6.002 ( 0.000 1.163 0.000) 1.163 6.056 ( 0.000 1.187 0.000) 1.187 6.175 ( 0.000 -1.023 0.000) 1.023 6.431 ( 0.000 -0.609 0.000) 0.609 6.443 ( 0.000 2.453 0.000) 2.453 6.470 ( 0.000 0.958 0.000) 0.958 6.546 ( 0.000 1.480 0.000) 1.480 6.587 ( 0.000 -0.328 0.000) 0.328 6.653 ( 0.000 -2.220 0.000) 2.220 6.655 ( 0.000 3.328 0.000) 3.328 6.730 ( 0.000 1.379 0.000) 1.379 6.786 ( 0.000 0.260 0.000) 0.260 6.860 ( 0.000 -1.847 0.000) 1.847 6.960 ( 0.000 1.981 0.000) 1.981 7.010 ( 0.000 1.578 0.000) 1.578 7.104 ( 0.000 -1.071 0.000) 1.071 7.155 ( 0.000 -3.069 0.000) 3.069 7.436 ( 0.000 3.492 0.000) 3.492 7.541 ( 0.000 5.126 0.000) 5.126 7.607 ( 0.000 -0.480 0.000) 0.480 7.685 ( 0.000 2.204 0.000) 2.204 7.754 ( 0.000 -2.264 0.000) 2.264 7.938 ( 0.000 -4.258 0.000) 4.258 8.010 ( 0.000 2.465 0.000) 2.465 8.158 ( 0.000 8.388 0.000) 8.388 8.381 ( 0.000 -7.674 0.000) 7.674 8.441 ( 0.000 3.070 0.000) 3.070 8.532 ( 0.000 5.263 0.000) 5.263 8.608 ( 0.000 -7.937 0.000) 7.937 8.651 ( 0.000 -4.778 0.000) 4.778 8.796 ( 0.000 2.744 0.000) 2.744 8.913 ( 0.000 0.534 0.000) 0.534 8.981 ( 0.000 0.065 0.000) 0.065 8.996 ( 0.000 1.608 0.000) 1.608 9.153 ( 0.000 0.571 0.000) 0.571 9.242 ( 0.000 -1.624 0.000) 1.624 9.280 ( 0.000 -3.924 0.000) 3.924 9.449 ( 0.000 2.292 0.000) 2.292 9.456 ( 0.000 -0.667 0.000) 0.667 9.522 ( 0.000 1.140 0.000) 1.140 9.592 ( 0.000 -1.646 0.000) 1.646 9.674 ( 0.000 1.374 0.000) 1.374 9.757 ( 0.000 -5.123 0.000) 5.123 9.772 ( 0.000 9.973 0.000) 9.973 9.815 ( 0.000 0.351 0.000) 0.351 9.966 ( 0.000 1.046 0.000) 1.046 10.001 ( 0.000 3.680 0.000) 3.680 10.038 ( 0.000 1.855 0.000) 1.855 10.195 ( 0.000 -2.773 0.000) 2.773 10.290 ( 0.000 2.051 0.000) 2.051 10.392 ( 0.000 -8.513 0.000) 8.513 10.407 ( 0.000 -2.816 0.000) 2.816 10.459 ( 0.000 -4.622 0.000) 4.622 10.498 ( 0.000 -0.743 0.000) 0.743 10.549 ( 0.000 -1.745 0.000) 1.745 10.685 ( 0.000 1.348 0.000) 1.348 10.719 ( 0.000 -5.610 0.000) 5.610 10.821 ( 0.000 1.846 0.000) 1.846 10.857 ( 0.000 5.061 0.000) 5.061 11.115 ( 0.000 -0.807 0.000) 0.807 11.136 ( 0.000 -2.400 0.000) 2.400 11.258 ( 0.000 -0.747 0.000) 0.747 11.275 ( 0.000 6.965 0.000) 6.965 11.421 ( 0.000 2.044 0.000) 2.044 11.541 ( 0.000 0.316 0.000) 0.316 11.574 ( 0.000 -4.489 0.000) 4.489 11.720 ( 0.000 -2.518 0.000) 2.518 11.868 ( 0.000 0.216 0.000) 0.216 11.902 ( 0.000 10.635 0.000) 10.635 12.068 ( 0.000 -6.668 0.000) 6.668 12.588 ( 0.000 4.074 0.000) 4.074 12.624 ( 0.000 -10.929 0.000) 10.929 12.822 ( 0.000 -0.911 0.000) 0.911 12.938 ( 0.000 7.940 0.000) 7.940 13.462 ( 0.000 -5.651 0.000) 5.651 13.669 ( 0.000 -1.093 0.000) 1.093 13.777 ( 0.000 -3.753 0.000) 3.753 13.945 ( 0.000 3.737 0.000) 3.737 14.218 ( 0.000 5.646 0.000) 5.646 14.276 ( 0.000 -3.222 0.000) 3.222 14.346 ( 0.000 2.334 0.000) 2.334 14.543 ( 0.000 -1.453 0.000) 1.453 14.755 ( 0.000 4.766 0.000) 4.766 14.817 ( 0.000 -3.718 0.000) 3.718 14.882 ( 0.000 -2.701 0.000) 2.701 15.080 ( 0.000 6.093 0.000) 6.093 15.323 ( 0.000 -1.430 0.000) 1.430 17.167 ( 0.000 3.071 0.000) 3.071 17.224 ( 0.000 2.544 0.000) 2.544 17.335 ( 0.000 3.269 0.000) 3.269 17.467 ( 0.000 -3.998 0.000) 3.998 17.578 ( 0.000 7.374 0.000) 7.374 18.456 ( 0.000 -0.098 0.000) 0.098 18.490 ( 0.000 -1.207 0.000) 1.207 18.504 ( 0.000 -4.103 0.000) 4.103 18.577 ( 0.000 0.081 0.000) 0.081 18.738 ( 0.000 -14.181 0.000) 14.181 19.205 ( 0.000 1.548 0.000) 1.548 19.300 ( 0.000 3.033 0.000) 3.033 19.463 ( 0.000 1.649 0.000) 1.649 19.500 ( 0.000 -0.501 0.000) 0.501 19.649 ( 0.000 -0.868 0.000) 0.868 19.690 ( 0.000 -2.143 0.000) 2.143 19.905 ( 0.000 4.597 0.000) 4.597 20.277 ( 0.000 -9.113 0.000) 9.113 20.596 ( 0.000 -0.241 0.000) 0.241 20.642 ( 0.000 -1.475 0.000) 1.475 20.846 ( 0.000 6.332 0.000) 6.332 20.931 ( 0.000 10.730 0.000) 10.730 20.997 ( 0.000 -0.039 0.000) 0.039 21.563 ( 0.000 -6.529 0.000) 6.529 22.295 ( 0.000 0.593 0.000) 0.593 22.342 ( 0.000 -0.605 0.000) 0.605 22.359 ( 0.000 0.323 0.000) 0.323 22.391 ( 0.000 -0.471 0.000) 0.471 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 19.987 20.273 -1.334) 28.500 0.822 ( 20.223 18.141 5.664) 27.752 1.396 ( 24.587 31.928 9.740) 41.458 1.596 ( -3.878 -3.076 -11.923) 12.910 1.745 ( 7.554 -3.306 1.278) 8.344 1.845 ( -1.074 -1.291 9.152) 9.305 1.959 ( 5.948 -7.205 -0.276) 9.347 2.030 ( 3.093 1.470 -3.569) 4.946 2.075 ( 4.395 8.699 -2.953) 10.183 2.195 ( 9.500 -2.005 -4.617) 10.751 2.317 ( 10.075 -0.031 8.130) 12.946 2.451 ( 2.752 -1.893 -4.655) 5.729 2.507 ( 3.285 -6.710 -8.213) 11.103 2.517 ( 0.966 -1.476 -0.370) 1.803 2.585 ( 1.517 1.060 1.479) 2.369 2.655 ( 2.999 -2.649 3.256) 5.159 2.738 ( -3.139 0.672 3.035) 4.418 2.785 ( -5.135 4.446 -3.343) 7.571 2.848 ( -1.692 -0.630 -2.710) 3.256 2.915 ( -3.046 3.971 -3.919) 6.356 2.935 ( -2.851 -0.208 -3.413) 4.452 3.037 ( 1.006 1.828 -0.825) 2.244 3.108 ( -1.406 -0.429 -2.664) 3.043 3.162 ( 6.643 0.604 -0.521) 6.690 3.199 ( -5.347 -3.371 2.661) 6.859 3.231 ( -0.210 1.715 4.761) 5.065 3.263 ( 0.286 0.927 -3.290) 3.430 3.277 ( 0.681 0.997 2.638) 2.902 3.318 ( -3.080 2.946 2.980) 5.200 3.380 ( 5.222 -0.108 -2.448) 5.769 3.417 ( -1.446 0.009 1.664) 2.204 3.500 ( 3.443 5.791 2.449) 7.169 3.533 ( 2.963 3.338 1.453) 4.694 3.582 ( -2.793 -1.324 2.724) 4.120 3.617 ( 3.072 1.052 1.546) 3.597 3.751 ( -0.575 -0.100 -2.355) 2.426 3.787 ( 1.340 -3.208 -0.657) 3.539 3.914 ( 3.276 -3.729 2.380) 5.505 3.947 ( 4.207 -1.975 -3.774) 5.987 3.984 ( 0.625 -4.554 0.890) 4.682 4.066 ( 3.469 -8.268 -1.059) 9.028 4.143 ( 2.182 -2.087 -0.141) 3.023 4.202 ( 2.718 -8.153 1.129) 8.668 4.217 ( 0.684 3.940 -2.162) 4.546 4.288 ( -5.204 -2.256 0.959) 5.752 4.401 ( 0.080 -2.561 0.992) 2.748 4.482 ( 1.874 -0.306 3.588) 4.059 4.561 ( 5.944 0.540 3.328) 6.834 4.674 ( -0.384 -2.973 -4.344) 5.279 4.744 ( 0.058 -0.812 0.853) 1.179 4.774 ( 3.562 -5.106 -1.751) 6.467 4.847 ( 2.238 -3.588 -2.907) 5.132 4.943 ( -4.349 6.271 -0.661) 7.659 5.021 ( -4.272 6.639 3.834) 8.777 5.106 ( -2.333 -1.885 -1.308) 3.272 5.290 ( 3.204 -1.616 0.294) 3.600 5.306 ( 0.721 -5.862 3.128) 6.684 5.388 ( -4.142 -3.880 1.814) 5.959 5.436 ( 2.383 -0.309 -1.749) 2.972 5.540 ( -5.508 -1.804 -2.152) 6.183 5.573 ( -0.948 4.184 -3.109) 5.298 5.672 ( -1.145 -5.114 0.015) 5.241 5.753 ( 1.755 6.356 4.230) 7.834 5.834 ( -7.512 2.570 -0.705) 7.971 5.891 ( -5.945 0.024 1.548) 6.143 5.928 ( -4.533 0.905 0.432) 4.642 6.064 ( -0.305 3.379 0.436) 3.421 6.128 ( -4.855 -1.098 -2.437) 5.542 6.221 ( -14.758 10.712 0.405) 18.240 6.330 ( -5.471 3.640 -6.272) 9.084 6.437 ( -2.641 -2.659 -3.834) 5.362 6.487 ( -1.520 0.106 2.155) 2.639 6.552 ( -1.539 -1.298 -0.711) 2.135 6.647 ( 1.414 1.126 4.822) 5.150 6.672 ( -3.128 1.446 1.218) 3.655 6.722 ( 1.452 0.797 -2.991) 3.419 6.813 ( -0.059 0.987 -5.891) 5.974 6.831 ( 1.238 1.012 4.489) 4.765 6.944 ( -1.028 1.865 3.763) 4.324 6.973 ( 0.737 0.952 -2.670) 2.928 7.135 ( 1.684 1.440 -1.695) 2.790 7.283 ( 8.586 -0.397 3.359) 9.228 7.443 ( -3.987 3.222 3.322) 6.109 7.475 ( -0.761 3.322 2.590) 4.281 7.677 ( 3.551 -4.071 2.715) 6.047 7.811 ( 4.491 2.961 -0.202) 5.383 7.846 ( 3.879 -4.606 -1.458) 6.196 7.927 ( 2.791 -1.525 -1.324) 3.445 7.997 ( -0.527 1.873 0.518) 2.013 8.122 ( 2.563 3.217 -5.606) 6.953 8.288 ( -6.706 -1.486 -0.156) 6.871 8.386 ( -2.462 2.217 -2.655) 4.246 8.608 ( 3.567 1.978 -0.750) 4.147 8.686 ( 3.864 -1.955 2.734) 5.122 8.753 ( 2.688 3.207 -5.298) 6.752 8.783 ( 6.448 -0.927 0.163) 6.516 8.887 ( 1.906 0.238 0.792) 2.077 8.964 ( -3.598 -0.600 0.317) 3.662 8.974 ( 2.567 0.035 3.277) 4.163 9.117 ( -5.383 2.029 -1.314) 5.901 9.231 ( -3.308 -1.313 -3.052) 4.689 9.330 ( 1.535 -5.963 0.366) 6.168 9.420 ( -3.818 4.693 6.873) 9.156 9.439 ( 2.701 1.027 0.153) 2.894 9.537 ( 1.100 -2.289 -0.925) 2.703 9.643 ( 2.999 -2.497 -4.020) 5.603 9.727 ( 0.856 2.562 -1.793) 3.243 9.746 ( -1.315 -5.319 0.960) 5.562 9.855 ( 2.401 0.050 2.344) 3.356 9.910 ( 9.528 2.580 1.922) 10.057 9.971 ( 1.731 1.935 -2.255) 3.439 9.992 ( -0.151 2.629 -0.794) 2.751 10.039 ( 1.067 1.259 -0.016) 1.650 10.194 ( -0.177 -2.878 0.451) 2.918 10.294 ( -0.485 1.327 0.234) 1.432 10.336 ( -2.990 -6.334 -2.658) 7.492 10.412 ( 0.685 -3.562 -4.921) 6.113 10.444 ( -0.220 -4.339 -2.271) 4.903 10.530 ( -0.052 -0.538 5.399) 5.426 10.615 ( 2.798 -3.532 -1.808) 4.855 10.672 ( -2.754 -3.513 -2.258) 5.003 10.690 ( 1.230 -2.271 -0.138) 2.587 10.777 ( -3.626 5.895 3.335) 7.682 10.894 ( 1.557 1.172 2.128) 2.885 11.078 ( -1.505 1.023 -1.520) 2.371 11.203 ( 1.181 -3.254 0.622) 3.517 11.251 ( 0.215 -0.435 -3.358) 3.393 11.283 ( -2.324 0.168 -3.237) 3.989 11.432 ( 0.848 2.200 1.471) 2.779 11.541 ( 2.972 -4.078 1.316) 5.215 11.618 ( -3.733 -3.886 4.539) 7.045 11.745 ( 2.346 -3.392 -2.800) 4.985 11.807 ( 0.622 1.503 -3.287) 3.668 11.919 ( -0.649 7.794 1.098) 7.898 12.081 ( 0.586 -5.211 1.243) 5.389 12.503 ( -2.283 5.404 -8.842) 10.611 12.674 ( 1.192 -9.766 -0.037) 9.838 12.897 ( 8.062 -2.904 -6.968) 11.045 12.938 ( -1.176 4.308 8.883) 9.942 13.479 ( 2.200 -9.736 1.864) 10.154 13.686 ( 0.231 -3.164 1.481) 3.501 13.759 ( -2.623 -4.540 -0.072) 5.244 14.041 ( 7.435 -1.394 -5.662) 9.449 14.190 ( -3.456 3.265 0.579) 4.790 14.274 ( 0.645 -0.426 -2.021) 2.164 14.348 ( -1.838 0.974 9.965) 10.180 14.581 ( 1.873 -0.170 3.161) 3.678 14.753 ( -2.338 3.581 0.077) 4.277 14.790 ( 1.185 1.298 -2.597) 3.136 14.893 ( 1.149 -3.540 0.535) 3.760 15.098 ( 1.738 5.861 0.220) 6.118 15.335 ( 0.596 -1.133 0.762) 1.490 17.121 ( -4.312 7.018 0.645) 8.262 17.241 ( 1.891 2.280 -0.156) 2.966 17.351 ( 1.632 3.900 -1.244) 4.407 17.510 ( 3.634 -2.050 0.093) 4.174 17.675 ( 9.645 4.437 -2.400) 10.885 18.077 ( -11.753 17.635 -11.673) 24.195 18.484 ( -2.281 -8.016 0.952) 8.389 18.554 ( 0.381 -4.385 -2.610) 5.117 18.639 ( 6.245 -2.598 -2.046) 7.067 18.858 ( 4.450 -6.469 3.568) 8.625 19.134 ( 1.227 0.291 -12.684) 12.746 19.294 ( -0.287 0.160 -1.434) 1.471 19.381 ( 1.708 4.974 -11.026) 12.216 19.490 ( 3.003 3.715 -0.720) 4.831 19.623 ( -2.772 -0.345 1.505) 3.173 19.688 ( -1.584 -1.609 2.023) 3.032 20.059 ( -6.029 -5.059 38.758) 39.549 20.207 ( -6.922 -8.697 2.384) 11.368 20.576 ( -3.133 1.612 0.447) 3.551 20.621 ( -2.214 -0.935 -0.068) 2.405 20.770 ( -5.833 6.364 -4.276) 9.634 20.915 ( -1.968 4.770 -0.126) 5.162 20.970 ( -2.983 3.175 0.577) 4.394 21.436 ( -8.797 -1.545 0.369) 8.939 22.326 ( 2.912 0.407 0.860) 3.063 22.359 ( 0.720 0.513 -1.026) 1.354 22.392 ( 2.855 -2.091 -0.397) 3.561 22.406 ( 1.641 -0.776 -0.196) 1.826 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 24.373 9.932 -1.567) 26.365 1.232 ( 17.125 7.710 8.973) 20.814 1.460 ( 1.805 -0.235 -8.885) 9.069 1.582 ( -2.309 3.652 -0.823) 4.398 1.858 ( -3.092 0.531 8.660) 9.211 1.990 ( 3.823 0.744 -7.023) 8.031 2.126 ( 10.065 -1.842 2.058) 10.437 2.168 ( 10.121 -4.734 -0.879) 11.208 2.259 ( 4.034 -2.631 -7.294) 8.740 2.312 ( 15.036 8.545 2.369) 17.456 2.444 ( 0.787 1.353 -1.801) 2.386 2.459 ( -3.533 1.147 -6.869) 7.809 2.484 ( 5.434 -0.023 1.628) 5.672 2.531 ( -4.996 -3.186 -4.191) 7.257 2.558 ( 3.994 -3.196 -2.105) 5.531 2.684 ( 0.205 2.267 2.243) 3.195 2.709 ( -2.543 1.973 -1.591) 3.590 2.750 ( 1.711 1.356 -2.427) 3.265 2.828 ( 0.190 -0.673 1.007) 1.226 2.852 ( -0.800 -0.635 -3.838) 3.972 2.901 ( 3.053 2.498 1.715) 4.301 3.002 ( -1.206 -1.996 -2.437) 3.374 3.061 ( -2.102 -1.729 4.476) 5.238 3.131 ( -3.468 -0.154 1.091) 3.638 3.167 ( -2.249 -1.629 1.948) 3.392 3.227 ( 1.974 3.661 0.502) 4.189 3.300 ( 4.527 1.199 1.175) 4.829 3.351 ( -1.419 4.860 2.264) 5.546 3.355 ( 1.160 3.998 4.610) 6.212 3.414 ( 3.892 -0.151 -0.815) 3.979 3.471 ( 2.936 2.028 1.534) 3.884 3.534 ( 2.341 -0.753 2.516) 3.518 3.575 ( 2.401 4.786 -5.185) 7.453 3.615 ( -0.381 -1.607 3.319) 3.707 3.721 ( 2.843 0.709 2.751) 4.019 3.751 ( 9.590 1.817 -4.869) 10.908 3.828 ( 3.559 -3.433 0.861) 5.019 3.957 ( -0.962 3.288 -0.311) 3.440 3.993 ( 1.164 2.878 -3.005) 4.321 4.024 ( 3.524 0.260 4.881) 6.026 4.118 ( 2.638 -6.147 1.586) 6.875 4.128 ( -0.034 0.449 -1.493) 1.559 4.199 ( -2.285 0.994 4.210) 4.892 4.219 ( -2.286 -3.879 1.367) 4.706 4.344 ( 7.736 0.549 -1.014) 7.822 4.414 ( 1.760 -3.093 -0.608) 3.610 4.546 ( 0.596 -2.740 -1.675) 3.266 4.607 ( -1.024 1.503 0.530) 1.894 4.629 ( 2.870 -2.769 -3.999) 5.648 4.704 ( -5.552 -5.373 -3.440) 8.457 4.827 ( 2.662 -0.278 -6.091) 6.653 4.875 ( 3.561 -4.684 1.110) 5.988 4.951 ( -0.022 6.484 7.041) 9.572 4.989 ( -0.489 6.357 1.667) 6.590 5.082 ( 1.370 0.629 -1.355) 2.027 5.196 ( -15.642 1.074 -5.557) 16.635 5.295 ( -0.615 -0.823 -0.651) 1.216 5.372 ( -4.743 -6.410 -0.799) 8.014 5.379 ( 1.243 -4.616 0.987) 4.881 5.472 ( 1.782 -0.986 -1.678) 2.639 5.556 ( -7.584 -0.971 1.428) 7.778 5.599 ( -1.198 2.898 2.043) 3.743 5.700 ( -6.336 -4.058 3.856) 8.455 5.778 ( -1.786 0.349 1.781) 2.546 5.822 ( -1.078 3.130 -1.690) 3.717 5.857 ( -2.927 -0.453 0.337) 2.982 5.971 ( -6.761 3.365 -2.455) 7.941 6.034 ( -4.094 2.105 -0.468) 4.628 6.100 ( -4.502 2.495 -0.008) 5.147 6.218 ( -1.554 4.037 -2.340) 4.918 6.340 ( -6.062 -6.289 0.447) 8.746 6.475 ( 0.152 -2.569 -0.364) 2.599 6.540 ( -2.691 0.646 2.083) 3.464 6.590 ( -2.037 2.035 -2.952) 4.123 6.692 ( -1.853 -1.680 1.125) 2.743 6.719 ( 1.007 -1.324 -1.018) 1.950 6.795 ( 2.407 2.370 -2.211) 4.038 6.880 ( 1.893 0.291 2.579) 3.213 6.952 ( -1.491 2.747 3.926) 5.018 7.005 ( 1.809 0.764 -3.308) 3.847 7.172 ( 4.678 5.375 -1.859) 7.364 7.379 ( -1.098 2.430 1.623) 3.121 7.386 ( -4.227 1.990 2.337) 5.224 7.496 ( 1.661 -2.357 4.905) 5.690 7.764 ( -2.510 -4.503 -1.307) 5.319 7.804 ( 4.478 -3.646 -0.516) 5.798 7.879 ( 2.828 -0.238 -0.893) 2.976 8.002 ( 2.109 4.428 0.687) 4.952 8.026 ( 2.123 -0.334 0.806) 2.295 8.170 ( 4.689 -0.390 -2.204) 5.196 8.229 ( 1.413 3.018 -2.390) 4.101 8.332 ( -0.955 3.287 -3.509) 4.902 8.607 ( -0.807 4.613 -1.931) 5.065 8.747 ( -2.460 -1.888 -1.876) 3.625 8.777 ( 2.309 0.297 -0.472) 2.375 8.854 ( -0.485 -0.511 0.859) 1.112 8.904 ( -1.019 0.208 4.147) 4.276 8.925 ( 2.445 -0.004 -1.149) 2.701 9.035 ( 2.942 -1.830 -1.830) 3.919 9.111 ( 3.579 -1.721 1.206) 4.151 9.182 ( 2.152 3.062 -2.041) 4.263 9.344 ( -1.045 6.523 -0.271) 6.612 9.400 ( -0.818 -1.470 5.394) 5.651 9.507 ( 2.042 1.287 1.944) 3.099 9.567 ( 1.579 -3.987 1.592) 4.574 9.632 ( -0.386 -0.268 -6.811) 6.827 9.698 ( -1.065 -2.048 -0.799) 2.442 9.740 ( -0.372 -3.017 1.956) 3.615 9.875 ( -1.360 -1.525 -0.107) 2.046 9.963 ( -0.516 2.595 0.865) 2.783 9.989 ( 0.554 5.252 -3.079) 6.114 10.032 ( 3.810 3.911 2.452) 5.985 10.127 ( 2.860 -2.386 2.764) 4.639 10.220 ( 2.294 -2.035 -0.457) 3.101 10.262 ( -2.976 -5.746 -2.066) 6.793 10.297 ( 2.615 -0.968 0.796) 2.899 10.383 ( 0.447 0.541 -5.167) 5.214 10.446 ( 2.135 -2.712 -1.494) 3.761 10.521 ( -3.206 -2.293 -0.799) 4.022 10.572 ( -2.848 -0.773 -1.799) 3.456 10.669 ( 1.097 -1.959 1.148) 2.522 10.716 ( 0.176 -2.112 1.616) 2.665 10.760 ( 0.802 3.887 1.608) 4.282 10.921 ( -0.212 0.910 1.775) 2.006 11.042 ( -1.567 3.205 0.045) 3.568 11.170 ( -6.508 -1.642 -0.761) 6.755 11.195 ( -4.316 -1.939 3.371) 5.809 11.233 ( 1.714 -0.575 -6.717) 6.956 11.475 ( 1.790 1.642 3.224) 4.037 11.550 ( -2.353 -2.330 -0.960) 3.448 11.575 ( -0.343 -0.514 -0.341) 0.706 11.683 ( -2.869 2.807 -2.788) 4.888 11.878 ( 0.556 2.094 -0.998) 2.385 11.921 ( 3.922 1.172 1.048) 4.225 12.091 ( -0.657 -3.739 1.676) 4.150 12.389 ( -4.767 6.395 -6.758) 10.454 12.683 ( 0.985 -9.806 -2.097) 10.075 12.918 ( -0.049 5.807 0.085) 5.808 13.058 ( 5.908 -11.086 1.292) 12.628 13.539 ( 1.779 -12.767 1.488) 12.976 13.682 ( 0.319 -2.552 -0.308) 2.590 13.759 ( 1.464 -3.644 4.969) 6.334 14.060 ( -0.494 -1.097 -5.345) 5.479 14.114 ( -3.941 0.420 -1.236) 4.152 14.277 ( 0.389 3.238 -1.356) 3.532 14.401 ( 0.105 -0.065 8.694) 8.695 14.627 ( 0.863 2.071 3.154) 3.870 14.694 ( -1.866 4.791 -2.746) 5.829 14.829 ( 2.803 1.701 -0.273) 3.291 14.922 ( 1.350 -3.292 0.636) 3.614 15.138 ( 2.216 5.049 0.220) 5.519 15.349 ( 0.508 -0.356 0.472) 0.779 17.045 ( -3.543 10.198 -1.119) 10.854 17.256 ( -0.377 5.908 -0.970) 5.999 17.388 ( 3.290 2.541 -0.764) 4.227 17.550 ( 0.670 3.218 -1.091) 3.463 17.865 ( 11.717 1.148 -0.527) 11.785 17.986 ( 5.360 4.268 -4.446) 8.168 18.442 ( -3.017 -10.611 0.972) 11.075 18.514 ( -4.480 -5.489 -0.863) 7.138 18.737 ( 4.629 0.946 -0.306) 4.734 18.920 ( 3.311 -2.103 -2.309) 4.551 19.138 ( 3.272 -5.517 -4.003) 7.561 19.248 ( -3.100 -4.335 -2.219) 5.773 19.396 ( 5.081 6.212 -6.641) 10.417 19.527 ( -1.677 6.436 1.078) 6.737 19.623 ( 4.305 0.635 1.542) 4.617 19.669 ( -1.671 -1.159 2.072) 2.903 20.105 ( -4.876 -8.362 2.625) 10.029 20.170 ( -4.052 -4.839 25.358) 26.132 20.485 ( -6.786 5.781 1.570) 9.051 20.549 ( -4.548 -0.166 -4.184) 6.182 20.648 ( -3.012 4.703 -2.826) 6.259 20.839 ( -5.151 -1.260 -2.609) 5.910 20.921 ( -2.661 4.952 1.371) 5.786 21.277 ( -8.912 -2.528 0.339) 9.270 22.370 ( 1.514 0.330 -0.928) 1.806 22.396 ( 3.179 0.373 0.865) 3.316 22.418 ( 0.949 -0.885 -0.393) 1.356 22.449 ( 2.303 -1.068 0.138) 2.542 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 1.097 -0.922 -2.945) 3.275 1.497 ( -0.508 -1.615 -3.833) 4.190 1.607 ( 17.215 3.757 5.345) 18.413 1.733 ( 17.889 2.728 4.215) 18.580 1.849 ( -0.442 5.066 3.600) 6.230 1.998 ( 0.159 -2.874 0.751) 2.975 2.059 ( -12.834 0.286 -5.759) 14.070 2.174 ( -9.668 2.838 -5.550) 11.503 2.257 ( -3.760 3.693 -4.000) 6.617 2.320 ( 4.380 -2.132 -2.117) 5.311 2.419 ( 2.326 -4.501 -1.467) 5.274 2.450 ( 1.238 -3.487 0.954) 3.821 2.509 ( 1.392 -6.120 1.516) 6.457 2.538 ( -0.207 -2.710 -2.095) 3.432 2.589 ( -1.447 0.846 -2.566) 3.064 2.608 ( -2.671 0.793 -0.544) 2.839 2.708 ( 0.404 0.553 -3.619) 3.684 2.731 ( -0.729 -3.973 -0.537) 4.075 2.823 ( -2.299 0.374 0.051) 2.329 2.917 ( 3.552 1.520 -0.678) 3.923 2.931 ( -1.359 2.283 -0.908) 2.808 3.023 ( -1.352 -0.915 2.545) 3.024 3.162 ( 5.334 3.366 -0.004) 6.308 3.171 ( 3.469 -4.171 2.485) 5.967 3.197 ( 0.785 -2.548 5.782) 6.367 3.282 ( -0.084 7.097 -1.999) 7.374 3.322 ( -2.646 0.917 2.703) 3.892 3.387 ( 2.557 4.142 4.643) 6.727 3.429 ( 8.661 8.289 2.833) 12.319 3.482 ( 12.522 5.863 0.257) 13.829 3.534 ( 2.196 2.538 0.200) 3.362 3.574 ( 0.885 4.694 -1.152) 4.913 3.614 ( 2.633 2.616 1.095) 3.869 3.678 ( 3.798 -2.206 2.317) 4.965 3.763 ( -0.541 -1.408 -2.487) 2.909 3.821 ( 0.737 -2.942 3.303) 4.484 3.903 ( -0.252 2.564 -6.148) 6.666 3.948 ( 3.797 0.307 0.060) 3.810 4.007 ( 0.448 1.803 -0.429) 1.907 4.067 ( -1.643 4.381 1.390) 4.881 4.073 ( -1.156 1.141 -2.650) 3.108 4.141 ( -6.989 0.668 2.980) 7.628 4.189 ( 1.360 2.092 3.950) 4.672 4.300 ( 4.276 -4.285 1.293) 6.190 4.326 ( -4.859 -1.528 2.581) 5.710 4.441 ( -0.716 0.118 -2.260) 2.373 4.525 ( -4.832 -1.550 -7.160) 8.776 4.566 ( 5.324 -5.742 0.377) 7.840 4.672 ( 4.000 0.575 -0.824) 4.124 4.723 ( 2.886 -0.074 -2.357) 3.727 4.756 ( -2.527 -0.477 -3.755) 4.552 4.885 ( -0.985 2.880 -3.486) 4.628 4.918 ( -2.709 3.007 -0.134) 4.050 4.957 ( -6.973 4.328 4.431) 9.327 4.990 ( 1.614 4.135 -4.143) 6.072 5.196 ( 3.780 2.580 8.295) 9.474 5.271 ( -4.638 -2.860 4.109) 6.825 5.299 ( 2.377 -3.070 -5.031) 6.355 5.342 ( -4.166 -2.886 -3.354) 6.077 5.433 ( -2.636 -0.796 1.151) 2.985 5.525 ( 1.901 -2.294 2.364) 3.803 5.597 ( -4.973 -4.708 1.375) 6.985 5.665 ( 1.658 -0.936 3.398) 3.895 5.722 ( -1.415 -2.156 -2.600) 3.662 5.829 ( 0.396 2.034 -2.280) 3.082 5.847 ( 1.607 -1.668 1.191) 2.604 5.879 ( -1.862 -1.387 1.347) 2.685 5.947 ( -3.832 -0.503 -3.367) 5.126 5.979 ( -4.807 1.863 -1.855) 5.479 6.235 ( -0.855 -2.103 1.505) 2.724 6.252 ( -1.358 -1.257 0.433) 1.900 6.439 ( -3.912 -0.884 1.047) 4.145 6.504 ( 0.979 1.199 -0.395) 1.597 6.607 ( 1.798 1.701 -0.527) 2.530 6.652 ( -1.367 -2.037 -0.598) 2.525 6.729 ( 0.587 -2.533 -0.664) 2.684 6.843 ( 1.635 1.435 0.555) 2.245 6.913 ( 0.718 -0.594 0.270) 0.970 6.933 ( -1.727 1.673 1.059) 2.627 6.998 ( 0.256 2.840 -1.511) 3.226 7.252 ( 3.596 2.178 -1.384) 4.426 7.304 ( -4.150 2.690 1.213) 5.092 7.365 ( -1.000 3.985 1.654) 4.429 7.548 ( 0.994 -2.306 1.210) 2.787 7.709 ( -1.394 -5.155 -1.114) 5.455 7.826 ( 0.262 -2.342 -0.896) 2.521 7.975 ( 3.829 -1.540 1.561) 4.412 8.025 ( 0.186 -3.849 -1.476) 4.126 8.045 ( 0.761 4.620 0.985) 4.784 8.232 ( 0.487 4.351 -0.537) 4.410 8.262 ( 3.311 3.239 -0.214) 4.637 8.311 ( 0.258 0.983 -2.225) 2.446 8.572 ( -1.196 1.956 -0.973) 2.491 8.652 ( -3.980 -1.675 -0.675) 4.371 8.754 ( -2.166 0.530 0.334) 2.255 8.864 ( 0.618 -0.745 -0.041) 0.969 8.962 ( 2.777 1.602 0.381) 3.229 8.994 ( 4.275 1.343 2.593) 5.177 9.064 ( 0.414 0.076 -2.356) 2.394 9.166 ( 1.358 3.978 0.603) 4.247 9.218 ( 1.502 -2.777 -1.319) 3.421 9.316 ( -1.162 6.794 1.138) 6.986 9.434 ( 0.722 -1.179 1.039) 1.730 9.513 ( -1.624 3.220 -1.606) 3.948 9.568 ( 0.360 -2.596 -0.185) 2.627 9.615 ( -0.048 -1.327 1.305) 1.861 9.705 ( 2.427 -4.358 -2.578) 5.615 9.743 ( -1.754 -3.087 3.170) 4.759 9.839 ( -1.583 -4.199 0.536) 4.520 9.966 ( 1.032 5.877 -1.488) 6.150 9.990 ( -0.000 1.428 0.883) 1.679 10.090 ( 0.329 2.684 4.743) 5.459 10.138 ( -0.588 1.357 -4.050) 4.312 10.197 ( -1.132 -5.862 -1.053) 6.062 10.265 ( 3.257 -0.833 -0.349) 3.380 10.322 ( -0.680 1.233 -0.752) 1.596 10.426 ( -3.901 -3.271 -1.677) 5.361 10.441 ( 3.712 -0.932 1.000) 3.956 10.479 ( 1.048 0.862 -0.368) 1.406 10.545 ( 0.778 -0.423 -1.625) 1.850 10.677 ( -0.929 0.898 1.982) 2.366 10.718 ( -0.586 -2.584 0.842) 2.780 10.834 ( 5.720 0.040 -0.088) 5.721 10.923 ( 0.206 1.788 0.774) 1.959 11.008 ( -2.274 1.517 -0.756) 2.836 11.038 ( -6.794 -2.384 -0.131) 7.202 11.141 ( -1.541 0.970 0.791) 1.986 11.232 ( 0.554 -0.899 -1.472) 1.811 11.490 ( -0.431 -1.953 -0.360) 2.032 11.535 ( -0.586 0.282 0.578) 0.870 11.578 ( 0.636 2.917 1.566) 3.371 11.641 ( 0.070 3.365 -2.062) 3.947 11.854 ( -1.066 7.173 -0.127) 7.253 12.016 ( 4.535 -2.744 -0.255) 5.307 12.075 ( -2.292 -3.577 1.436) 4.484 12.270 ( -3.324 6.616 -3.231) 8.078 12.687 ( 0.479 -10.082 -0.838) 10.128 12.919 ( -0.110 6.380 0.502) 6.401 13.124 ( 1.272 -16.335 -0.203) 16.386 13.547 ( -0.307 -9.310 -0.273) 9.319 13.743 ( 4.246 -4.965 1.454) 6.693 13.814 ( 0.331 -6.043 2.612) 6.591 14.003 ( -1.726 1.207 -2.037) 2.930 14.049 ( -2.023 0.311 -1.008) 2.281 14.269 ( -0.318 4.386 -0.384) 4.414 14.439 ( -0.019 0.133 2.686) 2.690 14.652 ( -0.740 4.772 3.797) 6.144 14.663 ( 0.765 4.706 -3.788) 6.089 14.868 ( 1.212 1.374 0.059) 1.833 14.942 ( 0.477 -2.708 0.212) 2.758 15.171 ( 1.019 4.213 0.095) 4.336 15.358 ( 0.224 0.112 0.128) 0.281 16.991 ( -1.371 11.279 -0.720) 11.385 17.235 ( -0.698 9.046 -0.540) 9.089 17.437 ( 1.663 1.034 -0.073) 1.959 17.545 ( -0.092 3.749 -0.550) 3.790 18.050 ( 6.541 -1.760 0.376) 6.784 18.138 ( 12.271 -3.210 -2.036) 12.846 18.358 ( -10.642 -5.672 -0.337) 12.064 18.395 ( -3.353 -10.410 1.194) 11.002 18.789 ( 1.357 2.046 -0.264) 2.469 18.965 ( 2.084 -4.389 -0.978) 4.956 19.165 ( 0.948 -4.745 -0.037) 4.839 19.189 ( -1.184 -4.519 -2.196) 5.162 19.453 ( 4.656 7.260 -5.171) 10.056 19.494 ( -2.532 6.514 2.524) 7.431 19.660 ( -0.246 -0.960 0.773) 1.257 19.718 ( 2.799 3.511 1.592) 4.763 20.054 ( -2.174 -8.089 1.720) 8.551 20.234 ( -1.753 -4.929 10.141) 11.411 20.388 ( -3.583 7.144 0.911) 8.044 20.461 ( -0.894 0.033 -4.087) 4.184 20.616 ( -0.372 3.266 0.299) 3.301 20.734 ( -3.326 -0.431 -2.238) 4.032 20.892 ( -1.072 2.107 0.560) 2.429 21.140 ( -4.863 -2.928 -0.081) 5.677 22.390 ( 0.916 0.134 -0.388) 1.003 22.420 ( 0.065 -0.690 -0.201) 0.722 22.450 ( 1.389 0.334 0.402) 1.484 22.480 ( 0.883 -0.638 0.116) 1.096 ======================= Grid point 14 (9/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 25.436 0.000) 25.436 1.075 ( 0.000 27.411 0.000) 27.411 1.414 ( 0.000 -18.535 0.000) 18.535 1.514 ( 0.000 -19.451 0.000) 19.451 1.753 ( 0.000 -1.193 0.000) 1.193 1.762 ( 0.000 -1.549 0.000) 1.549 1.974 ( 0.000 11.888 0.000) 11.888 2.017 ( 0.000 -1.274 0.000) 1.274 2.153 ( 0.000 25.239 0.000) 25.239 2.216 ( 0.000 4.982 0.000) 4.982 2.317 ( 0.000 16.634 0.000) 16.634 2.394 ( 0.000 1.732 0.000) 1.732 2.425 ( 0.000 -1.088 0.000) 1.088 2.490 ( 0.000 1.773 0.000) 1.773 2.541 ( 0.000 0.172 0.000) 0.172 2.546 ( 0.000 -3.509 0.000) 3.509 2.635 ( 0.000 -8.868 0.000) 8.868 2.911 ( 0.000 -2.150 0.000) 2.150 2.970 ( 0.000 1.910 0.000) 1.910 3.000 ( 0.000 2.497 0.000) 2.497 3.050 ( 0.000 3.232 0.000) 3.232 3.094 ( 0.000 -12.662 0.000) 12.662 3.109 ( 0.000 -1.673 0.000) 1.673 3.125 ( 0.000 -4.682 0.000) 4.682 3.139 ( 0.000 2.010 0.000) 2.010 3.161 ( 0.000 -4.694 0.000) 4.694 3.241 ( 0.000 -0.672 0.000) 0.672 3.282 ( 0.000 2.661 0.000) 2.661 3.302 ( 0.000 1.359 0.000) 1.359 3.370 ( 0.000 -20.846 0.000) 20.846 3.415 ( 0.000 1.675 0.000) 1.675 3.464 ( 0.000 -3.254 0.000) 3.254 3.472 ( 0.000 5.914 0.000) 5.914 3.573 ( 0.000 -5.188 0.000) 5.188 3.654 ( 0.000 12.532 0.000) 12.532 3.714 ( 0.000 2.856 0.000) 2.856 3.748 ( 0.000 1.658 0.000) 1.658 3.775 ( 0.000 3.842 0.000) 3.842 3.824 ( 0.000 -6.284 0.000) 6.284 3.884 ( 0.000 -7.038 0.000) 7.038 4.004 ( 0.000 2.493 0.000) 2.493 4.030 ( 0.000 -2.766 0.000) 2.766 4.148 ( 0.000 3.750 0.000) 3.750 4.233 ( 0.000 -4.314 0.000) 4.314 4.398 ( 0.000 5.363 0.000) 5.363 4.426 ( 0.000 4.409 0.000) 4.409 4.483 ( 0.000 -0.441 0.000) 0.441 4.492 ( 0.000 0.583 0.000) 0.583 4.520 ( 0.000 -7.051 0.000) 7.051 4.575 ( 0.000 -9.422 0.000) 9.422 4.800 ( 0.000 3.643 0.000) 3.643 4.851 ( 0.000 1.203 0.000) 1.203 5.113 ( 0.000 2.485 0.000) 2.485 5.125 ( 0.000 1.487 0.000) 1.487 5.128 ( 0.000 -0.840 0.000) 0.840 5.186 ( 0.000 -5.827 0.000) 5.827 5.222 ( 0.000 4.902 0.000) 4.902 5.328 ( 0.000 -6.009 0.000) 6.009 5.431 ( 0.000 3.481 0.000) 3.481 5.530 ( 0.000 -5.284 0.000) 5.284 5.561 ( 0.000 -2.258 0.000) 2.258 5.601 ( 0.000 -3.738 0.000) 3.738 5.871 ( 0.000 5.727 0.000) 5.727 5.927 ( 0.000 -0.077 0.000) 0.077 6.004 ( 0.000 -0.509 0.000) 0.509 6.026 ( 0.000 -3.553 0.000) 3.553 6.074 ( 0.000 11.791 0.000) 11.791 6.180 ( 0.000 0.095 0.000) 0.095 6.416 ( 0.000 -0.490 0.000) 0.490 6.439 ( 0.000 -2.175 0.000) 2.175 6.524 ( 0.000 4.188 0.000) 4.188 6.570 ( 0.000 0.689 0.000) 0.689 6.585 ( 0.000 0.049 0.000) 0.049 6.606 ( 0.000 -3.101 0.000) 3.101 6.716 ( 0.000 3.133 0.000) 3.133 6.749 ( 0.000 0.160 0.000) 0.160 6.785 ( 0.000 -0.096 0.000) 0.096 6.809 ( 0.000 -3.180 0.000) 3.180 7.005 ( 0.000 2.297 0.000) 2.297 7.027 ( 0.000 0.010 0.000) 0.010 7.091 ( 0.000 -0.267 0.000) 0.267 7.102 ( 0.000 -1.867 0.000) 1.867 7.522 ( 0.000 4.664 0.000) 4.664 7.580 ( 0.000 -2.161 0.000) 2.161 7.650 ( 0.000 5.872 0.000) 5.872 7.709 ( 0.000 -0.573 0.000) 0.573 7.741 ( 0.000 1.848 0.000) 1.848 7.833 ( 0.000 -6.710 0.000) 6.710 8.087 ( 0.000 5.938 0.000) 5.938 8.223 ( 0.000 -8.801 0.000) 8.801 8.313 ( 0.000 8.544 0.000) 8.544 8.464 ( 0.000 -8.034 0.000) 8.034 8.497 ( 0.000 3.179 0.000) 3.179 8.562 ( 0.000 -4.273 0.000) 4.273 8.679 ( 0.000 9.485 0.000) 9.485 8.806 ( 0.000 -3.097 0.000) 3.097 8.935 ( 0.000 2.660 0.000) 2.660 8.980 ( 0.000 -0.624 0.000) 0.624 9.000 ( 0.000 -0.644 0.000) 0.644 9.065 ( 0.000 -7.444 0.000) 7.444 9.251 ( 0.000 1.087 0.000) 1.087 9.251 ( 0.000 1.318 0.000) 1.318 9.454 ( 0.000 0.275 0.000) 0.275 9.469 ( 0.000 -1.035 0.000) 1.035 9.568 ( 0.000 2.291 0.000) 2.291 9.570 ( 0.000 -0.147 0.000) 0.147 9.676 ( 0.000 -1.791 0.000) 1.791 9.689 ( 0.000 -0.476 0.000) 0.476 9.863 ( 0.000 4.478 0.000) 4.478 9.927 ( 0.000 1.423 0.000) 1.423 9.978 ( 0.000 4.592 0.000) 4.592 10.060 ( 0.000 0.330 0.000) 0.330 10.071 ( 0.000 2.864 0.000) 2.864 10.134 ( 0.000 -3.628 0.000) 3.628 10.237 ( 0.000 -6.390 0.000) 6.390 10.249 ( 0.000 -6.795 0.000) 6.795 10.373 ( 0.000 7.152 0.000) 7.152 10.493 ( 0.000 -1.341 0.000) 1.341 10.526 ( 0.000 -0.240 0.000) 0.240 10.543 ( 0.000 6.440 0.000) 6.440 10.557 ( 0.000 -7.968 0.000) 7.968 10.665 ( 0.000 -5.338 0.000) 5.338 10.860 ( 0.000 2.117 0.000) 2.117 10.889 ( 0.000 -0.648 0.000) 0.648 11.099 ( 0.000 -0.624 0.000) 0.624 11.100 ( 0.000 -0.936 0.000) 0.936 11.310 ( 0.000 5.897 0.000) 5.897 11.406 ( 0.000 1.517 0.000) 1.517 11.457 ( 0.000 0.428 0.000) 0.428 11.513 ( 0.000 -2.977 0.000) 2.977 11.518 ( 0.000 4.716 0.000) 4.716 11.651 ( 0.000 -6.021 0.000) 6.021 11.877 ( 0.000 1.220 0.000) 1.220 11.937 ( 0.000 -5.993 0.000) 5.993 12.138 ( 0.000 14.346 0.000) 14.346 12.397 ( 0.000 -13.802 0.000) 13.802 12.676 ( 0.000 5.269 0.000) 5.269 12.768 ( 0.000 -4.494 0.000) 4.494 13.120 ( 0.000 11.240 0.000) 11.240 13.317 ( 0.000 -9.947 0.000) 9.947 13.665 ( 0.000 0.994 0.000) 0.994 13.707 ( 0.000 -3.428 0.000) 3.428 14.039 ( 0.000 6.380 0.000) 6.380 14.164 ( 0.000 -6.990 0.000) 6.990 14.335 ( 0.000 4.506 0.000) 4.506 14.373 ( 0.000 0.099 0.000) 0.099 14.579 ( 0.000 5.270 0.000) 5.270 14.705 ( 0.000 -7.558 0.000) 7.558 14.824 ( 0.000 2.696 0.000) 2.696 14.856 ( 0.000 -1.096 0.000) 1.096 15.192 ( 0.000 5.823 0.000) 5.823 15.279 ( 0.000 -3.614 0.000) 3.614 17.242 ( 0.000 4.830 0.000) 4.830 17.290 ( 0.000 4.496 0.000) 4.496 17.324 ( 0.000 -3.614 0.000) 3.614 17.380 ( 0.000 -5.227 0.000) 5.227 17.846 ( 0.000 20.584 0.000) 20.584 18.249 ( 0.000 -21.823 0.000) 21.823 18.458 ( 0.000 0.372 0.000) 0.372 18.471 ( 0.000 -1.018 0.000) 1.018 18.580 ( 0.000 0.352 0.000) 0.352 18.597 ( 0.000 -2.075 0.000) 2.075 19.245 ( 0.000 2.784 0.000) 2.784 19.297 ( 0.000 -2.510 0.000) 2.510 19.496 ( 0.000 1.616 0.000) 1.616 19.507 ( 0.000 0.524 0.000) 0.524 19.638 ( 0.000 -0.062 0.000) 0.062 19.654 ( 0.000 -1.676 0.000) 1.676 20.005 ( 0.000 6.272 0.000) 6.272 20.128 ( 0.000 -7.360 0.000) 7.360 20.588 ( 0.000 0.316 0.000) 0.316 20.610 ( 0.000 -1.774 0.000) 1.774 20.940 ( 0.000 3.857 0.000) 3.857 20.987 ( 0.000 -1.389 0.000) 1.389 21.166 ( 0.000 13.734 0.000) 13.734 21.398 ( 0.000 -11.370 0.000) 11.370 22.309 ( 0.000 0.957 0.000) 0.957 22.327 ( 0.000 -0.964 0.000) 0.964 22.367 ( 0.000 0.623 0.000) 0.623 22.380 ( 0.000 -0.707 0.000) 0.707 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 8.754 18.433 -3.624) 20.726 1.164 ( 13.001 21.475 0.564) 25.110 1.432 ( -0.263 -11.311 -6.558) 13.078 1.549 ( 7.620 -16.574 -0.492) 18.248 1.791 ( -0.676 -1.118 6.876) 6.999 1.817 ( 7.104 -4.579 5.997) 10.364 1.988 ( 3.670 10.260 -2.387) 11.155 2.040 ( 2.911 -0.223 -6.189) 6.843 2.266 ( 6.688 12.207 0.809) 13.943 2.299 ( 5.401 5.955 1.779) 8.234 2.369 ( 4.847 3.927 -3.895) 7.354 2.427 ( 2.573 -2.455 -4.597) 5.812 2.437 ( 7.235 15.100 1.948) 16.856 2.523 ( 4.744 1.909 0.304) 5.122 2.557 ( 2.601 -3.659 0.306) 4.500 2.640 ( 5.609 1.857 7.360) 9.438 2.711 ( 3.819 -4.420 4.349) 7.283 2.822 ( -5.835 -4.176 0.260) 7.180 2.875 ( -6.648 4.001 -4.206) 8.826 2.921 ( -6.092 -1.578 -4.838) 7.937 2.998 ( -5.171 4.067 -1.918) 6.853 3.048 ( -4.128 -2.882 1.348) 5.212 3.091 ( -3.501 -1.162 -5.597) 6.703 3.106 ( -2.547 -5.019 -2.331) 6.092 3.171 ( 2.323 -0.457 1.323) 2.712 3.194 ( -1.120 -5.317 3.659) 6.551 3.260 ( 2.454 2.160 -0.769) 3.358 3.323 ( 5.288 -0.884 -0.194) 5.365 3.329 ( 5.955 0.276 -2.671) 6.532 3.396 ( -0.640 -2.998 5.467) 6.268 3.436 ( 2.114 2.111 4.028) 5.015 3.493 ( 7.691 -8.074 0.447) 11.160 3.589 ( 0.853 -2.197 0.771) 2.480 3.591 ( 9.406 -6.384 -3.689) 11.951 3.642 ( -4.229 5.899 4.195) 8.384 3.691 ( 4.116 9.111 -1.390) 10.094 3.757 ( -1.502 -3.969 -0.952) 4.349 3.785 ( 1.074 3.555 1.351) 3.951 3.874 ( 4.332 -3.999 3.095) 6.659 3.885 ( 1.150 -6.759 1.048) 6.936 4.009 ( 0.375 1.820 0.215) 1.870 4.085 ( 3.250 -5.480 2.224) 6.749 4.209 ( 5.728 4.416 -2.596) 7.685 4.254 ( 1.226 -0.621 -0.735) 1.559 4.346 ( -3.607 7.857 1.273) 8.739 4.408 ( -0.176 3.568 -2.728) 4.495 4.487 ( -0.426 -1.167 0.719) 1.436 4.524 ( 0.344 -9.245 3.482) 9.885 4.579 ( 5.555 -2.603 2.523) 6.633 4.617 ( 3.053 -4.950 2.450) 6.310 4.805 ( 2.286 3.664 -6.032) 7.419 4.854 ( 1.643 0.531 -8.597) 8.769 5.044 ( -2.182 5.374 1.287) 5.941 5.115 ( -1.015 3.169 3.504) 4.832 5.158 ( -3.178 5.617 -0.485) 6.472 5.184 ( 0.501 -5.251 -0.076) 5.275 5.223 ( 2.895 -4.273 -1.884) 5.495 5.288 ( -3.227 -6.942 -1.541) 7.809 5.447 ( -0.342 2.206 -2.412) 3.287 5.506 ( -3.348 -2.940 -0.793) 4.526 5.534 ( -1.986 -1.971 -2.785) 3.948 5.573 ( -1.010 -5.369 4.519) 7.090 5.845 ( -3.095 5.093 -0.561) 5.986 5.894 ( -4.732 0.049 2.071) 5.166 5.934 ( -6.808 1.646 0.603) 7.031 5.957 ( -4.881 -0.062 -2.775) 5.615 6.108 ( 0.405 4.061 1.880) 4.493 6.147 ( -2.825 1.797 -1.379) 3.621 6.317 ( -9.755 2.464 0.838) 10.096 6.375 ( -7.420 -3.729 -1.239) 8.397 6.409 ( -7.215 4.313 -2.268) 8.706 6.473 ( -5.195 -2.253 0.621) 5.697 6.572 ( 0.359 3.049 -2.996) 4.290 6.634 ( 0.162 -2.922 -2.442) 3.811 6.691 ( -2.077 1.702 -0.025) 2.685 6.725 ( -0.768 -1.393 -0.922) 1.838 6.819 ( 2.945 1.455 -2.030) 3.861 6.848 ( 1.535 -0.629 -0.090) 1.662 6.967 ( -1.383 0.477 7.129) 7.277 6.973 ( -1.417 -0.263 3.844) 4.106 7.194 ( 6.181 3.943 -1.159) 7.422 7.254 ( 8.830 -2.612 1.002) 9.262 7.501 ( -3.009 4.320 2.982) 6.050 7.571 ( -5.707 -0.093 2.762) 6.341 7.623 ( 3.148 3.357 0.049) 4.602 7.743 ( 0.736 -6.481 -1.788) 6.763 7.867 ( 7.371 2.496 0.546) 7.802 7.901 ( 8.078 -1.495 -0.533) 8.232 8.044 ( -1.839 3.571 -0.565) 4.057 8.121 ( -3.858 -3.835 -3.391) 6.410 8.316 ( -2.201 4.692 1.327) 5.350 8.392 ( -2.233 -2.267 -1.301) 3.438 8.623 ( 6.103 0.536 0.042) 6.127 8.645 ( 7.308 -1.730 1.443) 7.648 8.777 ( 6.685 1.989 0.048) 6.975 8.815 ( 3.754 0.396 -4.041) 5.529 8.932 ( -2.695 -1.527 0.039) 3.098 8.944 ( -4.590 -1.548 2.151) 5.301 8.954 ( 1.254 6.217 -2.154) 6.698 9.100 ( -2.179 -7.080 -0.558) 7.429 9.209 ( 1.358 0.057 2.005) 2.422 9.236 ( -2.049 -1.117 1.872) 2.991 9.468 ( 2.106 1.761 1.382) 3.074 9.486 ( 0.577 0.809 2.289) 2.495 9.552 ( -0.669 2.266 -2.118) 3.173 9.595 ( 2.214 -2.735 -5.534) 6.558 9.677 ( -0.576 -0.235 2.493) 2.570 9.715 ( 1.473 -2.573 0.262) 2.976 9.893 ( 1.660 4.965 1.416) 5.424 9.967 ( 1.060 -2.131 2.036) 3.132 10.013 ( 3.600 4.445 0.758) 5.770 10.061 ( 3.169 4.844 -4.634) 7.415 10.086 ( 1.968 1.564 -1.578) 2.968 10.136 ( -0.113 -1.588 0.735) 1.753 10.189 ( -3.870 -6.407 0.011) 7.485 10.258 ( 1.880 -8.520 -0.955) 8.777 10.361 ( -1.155 5.865 -1.017) 6.064 10.475 ( -1.577 -0.235 -6.397) 6.592 10.505 ( -0.027 -2.585 1.122) 2.818 10.548 ( 2.108 -3.739 -1.056) 4.420 10.594 ( 0.091 1.420 3.787) 4.045 10.657 ( -0.965 -3.702 0.875) 3.924 10.857 ( -0.285 3.413 0.070) 3.426 10.903 ( 0.918 -1.177 0.523) 1.582 11.100 ( 0.124 1.224 1.031) 1.605 11.133 ( 1.588 -2.884 2.647) 4.225 11.277 ( -4.440 3.344 1.569) 5.776 11.321 ( -6.595 0.442 -2.505) 7.068 11.483 ( 1.442 1.148 0.293) 1.866 11.486 ( 1.986 0.423 -1.149) 2.333 11.573 ( -0.205 -0.068 2.043) 2.055 11.650 ( 2.117 -6.109 -2.888) 7.081 11.856 ( -0.522 3.809 -1.183) 4.023 11.951 ( 0.410 -6.180 0.513) 6.215 12.148 ( 0.802 13.757 -0.134) 13.781 12.406 ( 1.995 -13.808 -3.562) 14.399 12.660 ( -1.691 6.880 -2.192) 7.416 12.792 ( 2.429 -7.063 -1.445) 7.608 13.104 ( -1.854 11.091 2.035) 11.428 13.303 ( -1.331 -10.346 1.961) 10.614 13.652 ( -1.091 -0.137 1.144) 1.586 13.683 ( -2.492 -3.328 1.938) 4.587 14.068 ( 2.661 3.668 -3.604) 5.790 14.152 ( -0.493 -4.933 -4.192) 6.492 14.340 ( -0.577 4.342 3.930) 5.885 14.373 ( -1.146 0.493 6.057) 6.184 14.618 ( 2.876 4.101 1.506) 5.230 14.715 ( 0.822 -5.635 -0.198) 5.698 14.831 ( 1.023 2.215 -0.525) 2.495 14.856 ( 0.489 -0.956 -0.340) 1.127 15.207 ( 1.353 5.713 0.280) 5.877 15.292 ( 1.069 -3.578 0.591) 3.780 17.244 ( 0.002 6.158 0.362) 6.169 17.299 ( 1.961 2.333 0.073) 3.049 17.372 ( 3.677 -0.353 -0.570) 3.737 17.434 ( 4.800 -5.231 0.924) 7.159 17.865 ( 2.331 16.451 0.200) 16.617 18.192 ( -4.033 -15.019 -3.957) 16.047 18.341 ( -7.095 5.056 0.348) 8.719 18.456 ( -2.328 -5.879 -1.172) 6.430 18.652 ( 6.444 2.318 0.471) 6.864 18.721 ( 7.855 -5.757 2.783) 10.129 19.183 ( -2.876 3.559 -8.247) 9.431 19.252 ( -3.298 -3.785 -3.926) 6.373 19.482 ( 2.906 4.707 -8.598) 10.224 19.524 ( 4.041 -0.026 -2.605) 4.808 19.628 ( -1.697 0.802 1.782) 2.588 19.653 ( -1.212 -1.943 2.250) 3.211 20.028 ( -3.165 1.116 15.361) 15.724 20.084 ( -5.555 -4.923 5.522) 9.251 20.580 ( -1.503 0.321 0.364) 1.580 20.598 ( -1.548 -1.461 0.045) 2.129 20.875 ( -5.565 4.354 -2.868) 7.625 20.927 ( -4.949 -1.503 -2.393) 5.699 21.136 ( -4.130 11.670 1.910) 12.526 21.332 ( -6.705 -9.120 0.812) 11.348 22.338 ( 2.622 0.930 0.675) 2.863 22.359 ( 2.687 -1.291 0.268) 2.993 22.373 ( 0.963 0.773 -0.611) 1.378 22.390 ( 1.232 -0.967 -0.390) 1.614 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 7.875 4.954 -2.655) 9.675 1.391 ( 5.046 -5.135 -4.811) 8.659 1.452 ( 12.491 15.387 5.459) 20.557 1.708 ( 7.344 -4.365 -1.785) 8.727 1.786 ( -0.916 3.237 4.960) 5.993 1.963 ( -0.014 -8.131 -2.825) 8.608 2.057 ( 7.937 -0.460 1.275) 8.052 2.089 ( 4.421 -2.642 -1.076) 5.261 2.304 ( 0.802 4.308 -3.498) 5.607 2.368 ( 2.034 -3.687 -2.392) 4.842 2.410 ( 3.502 1.388 -4.357) 5.760 2.458 ( 1.506 -2.304 -2.348) 3.618 2.533 ( -5.428 4.407 -4.512) 8.321 2.551 ( -6.295 1.631 -5.097) 8.262 2.621 ( 2.228 6.848 -1.946) 7.459 2.716 ( -2.440 -0.938 1.279) 2.910 2.753 ( 2.650 2.593 0.698) 3.772 2.786 ( 3.679 0.301 -4.436) 5.771 2.792 ( -2.321 -0.189 -2.367) 3.320 2.834 ( -1.540 -1.328 -3.775) 4.288 2.930 ( 5.013 1.447 2.675) 5.863 2.967 ( 0.723 -2.214 1.124) 2.586 3.060 ( 3.966 3.806 4.961) 7.404 3.127 ( -1.540 0.035 6.238) 6.425 3.152 ( -4.581 -0.175 3.738) 5.915 3.207 ( 5.139 -6.162 -1.029) 8.090 3.336 ( 7.375 3.861 -0.307) 8.330 3.369 ( 3.747 -0.078 0.137) 3.751 3.415 ( -0.809 2.416 6.365) 6.856 3.468 ( 0.112 -2.044 2.586) 3.299 3.526 ( 6.745 7.239 2.551) 10.218 3.601 ( 3.027 4.318 1.012) 5.370 3.618 ( -0.646 4.240 1.097) 4.427 3.640 ( 2.913 0.854 -0.342) 3.055 3.708 ( 7.362 -2.509 1.335) 7.892 3.786 ( 7.567 -0.908 -4.771) 8.991 3.826 ( 1.552 3.733 2.483) 4.745 3.903 ( 12.437 -7.183 0.665) 14.377 3.928 ( 2.694 -8.580 2.192) 9.256 3.967 ( 4.717 -4.838 4.077) 7.892 4.038 ( 2.873 1.246 2.355) 3.918 4.088 ( -1.494 -4.986 -0.687) 5.250 4.226 ( -2.805 6.202 -0.073) 6.808 4.288 ( -0.289 -0.172 3.114) 3.132 4.360 ( 2.867 7.195 -0.260) 7.750 4.396 ( 1.597 3.194 -2.152) 4.169 4.489 ( -0.389 -6.530 0.004) 6.541 4.515 ( -3.170 -6.444 0.816) 7.227 4.679 ( 4.785 1.538 -3.465) 6.104 4.686 ( 4.972 3.213 -3.572) 6.914 4.786 ( -1.617 -2.189 -8.304) 8.738 4.808 ( 2.740 -2.970 -4.913) 6.362 5.049 ( -5.554 4.321 -0.947) 7.100 5.063 ( -0.146 5.272 2.052) 5.660 5.158 ( -3.772 -4.717 -1.163) 6.151 5.188 ( 4.216 6.307 2.405) 7.959 5.210 ( 0.904 -8.493 -5.089) 9.942 5.297 ( 3.489 -4.936 1.395) 6.203 5.339 ( -6.776 5.479 -0.497) 8.728 5.455 ( -3.833 -5.085 0.919) 6.434 5.508 ( 0.358 1.325 -0.252) 1.395 5.577 ( -3.083 -4.547 3.975) 6.781 5.713 ( -7.949 4.602 -3.302) 9.760 5.779 ( -7.067 -1.635 -1.567) 7.420 5.848 ( -4.299 0.159 1.807) 4.666 5.858 ( -3.143 -0.190 0.831) 3.257 6.023 ( -7.244 3.586 -3.713) 8.895 6.072 ( -6.783 -0.590 -1.721) 7.022 6.154 ( -7.708 3.917 1.407) 8.760 6.235 ( -7.285 -4.973 1.901) 9.023 6.308 ( -3.070 5.537 2.432) 6.782 6.406 ( -3.826 -4.768 3.380) 6.986 6.568 ( 0.894 2.068 -2.624) 3.459 6.600 ( 1.094 -0.905 -4.859) 5.062 6.667 ( -2.522 -0.302 -0.786) 2.659 6.686 ( -0.956 -1.902 -1.289) 2.489 6.848 ( 2.340 2.732 -2.182) 4.207 6.878 ( 2.145 -0.566 -0.974) 2.423 6.993 ( -2.140 1.330 7.556) 7.965 7.008 ( 0.386 -0.436 4.311) 4.350 7.280 ( 3.978 6.013 -1.624) 7.390 7.377 ( 4.392 -3.864 -2.164) 6.237 7.451 ( -4.429 4.133 3.279) 6.888 7.487 ( -3.717 1.453 2.767) 4.856 7.685 ( 0.304 -2.248 -0.660) 2.362 7.726 ( 1.818 -4.858 -2.443) 5.734 7.907 ( 0.154 3.281 0.039) 3.285 7.979 ( -0.384 -3.982 -0.171) 4.004 8.090 ( 5.267 4.502 0.240) 6.933 8.152 ( 6.525 -2.132 -0.324) 6.872 8.303 ( 1.002 4.333 -1.028) 4.564 8.358 ( -0.575 -1.005 -2.202) 2.488 8.662 ( -2.089 1.589 -0.827) 2.752 8.698 ( -3.428 -2.674 -0.088) 4.348 8.812 ( 0.413 3.329 -2.941) 4.461 8.869 ( -2.354 -1.029 -2.047) 3.285 8.912 ( 6.419 2.518 1.537) 7.065 8.954 ( 3.728 1.128 0.586) 3.939 9.010 ( 4.562 0.430 0.441) 4.604 9.059 ( 1.606 -3.190 0.705) 3.641 9.235 ( 1.326 2.884 2.434) 4.000 9.309 ( 3.821 -5.330 3.912) 7.636 9.491 ( -2.554 5.365 3.932) 7.126 9.525 ( 0.467 0.335 0.324) 0.660 9.533 ( 1.619 0.350 0.684) 1.792 9.587 ( 1.590 -4.190 -6.097) 7.567 9.670 ( -1.481 0.741 -0.664) 1.784 9.700 ( -1.990 -2.176 -1.402) 3.265 9.897 ( -2.376 4.473 -0.688) 5.111 9.979 ( -0.083 -1.229 2.004) 2.352 10.060 ( -0.502 -1.206 0.857) 1.562 10.076 ( 2.125 1.787 -0.167) 2.782 10.108 ( -0.209 -4.610 -2.686) 5.340 10.129 ( -0.579 0.466 2.799) 2.896 10.236 ( 8.527 3.737 -0.325) 9.316 10.311 ( 1.758 0.433 -2.774) 3.313 10.351 ( 3.812 -1.772 -0.801) 4.280 10.414 ( -1.365 -4.555 -2.952) 5.597 10.478 ( -1.844 1.327 -3.109) 3.851 10.536 ( -1.970 -3.410 -1.416) 4.185 10.642 ( 2.492 0.458 2.916) 3.863 10.672 ( 1.874 -2.340 1.288) 3.263 10.846 ( -0.937 4.691 0.040) 4.784 10.913 ( -0.339 -2.214 0.451) 2.285 11.101 ( -2.373 2.729 0.305) 3.629 11.151 ( -5.018 -2.767 3.790) 6.870 11.171 ( -4.558 2.240 1.363) 5.258 11.214 ( -0.956 -1.741 -2.774) 3.411 11.495 ( 0.324 0.757 -1.338) 1.571 11.523 ( 1.221 -1.797 -0.226) 2.184 11.587 ( 2.080 3.435 0.387) 4.034 11.671 ( 0.963 -4.240 -1.353) 4.553 11.869 ( 2.434 2.711 -0.399) 3.665 11.954 ( -0.209 -4.892 0.711) 4.948 12.154 ( -0.048 13.139 -0.134) 13.140 12.416 ( 1.539 -13.208 -3.817) 13.834 12.579 ( -4.499 9.327 -3.773) 11.021 12.805 ( 0.508 -13.816 -3.742) 14.322 13.093 ( -1.726 11.097 4.501) 12.099 13.311 ( -0.184 -12.416 3.809) 12.989 13.652 ( 1.178 -0.112 0.146) 1.192 13.684 ( 1.052 -3.478 2.570) 4.450 14.056 ( -1.042 1.142 -3.784) 4.087 14.093 ( -2.815 -2.387 -2.963) 4.733 14.359 ( -0.287 4.856 3.642) 6.077 14.411 ( 0.319 -0.460 5.943) 5.969 14.677 ( 2.373 2.993 1.152) 3.989 14.724 ( 0.759 -1.415 -1.244) 2.031 14.857 ( 1.965 1.254 -0.125) 2.334 14.877 ( 1.422 -1.338 0.549) 2.028 15.237 ( 1.566 5.368 0.192) 5.595 15.317 ( 1.124 -3.226 0.451) 3.445 17.243 ( -0.062 10.241 -0.693) 10.265 17.357 ( 3.595 0.722 0.406) 3.689 17.419 ( 1.904 3.651 -1.040) 4.247 17.528 ( 3.677 -5.170 1.236) 6.463 17.938 ( 5.447 7.956 -0.001) 9.642 18.095 ( -2.368 -0.228 -4.653) 5.226 18.245 ( -4.125 -3.162 1.851) 5.517 18.376 ( -5.820 -9.320 -1.024) 11.036 18.777 ( 5.964 3.263 -0.165) 6.800 18.850 ( 4.482 -4.617 0.272) 6.440 19.103 ( 0.414 1.148 -6.720) 6.829 19.159 ( -2.630 -4.642 -5.012) 7.321 19.523 ( 5.696 6.900 -5.027) 10.263 19.598 ( -0.513 1.725 -0.256) 1.818 19.619 ( 4.973 -1.845 0.835) 5.369 19.641 ( -1.097 -2.067 2.334) 3.305 20.028 ( -4.409 0.191 7.184) 8.431 20.081 ( -2.422 -4.552 14.978) 15.841 20.531 ( -3.431 1.080 -0.852) 3.697 20.547 ( -3.734 -0.607 -0.838) 3.875 20.744 ( -5.394 4.743 -2.651) 7.656 20.807 ( -5.611 -2.418 -2.524) 6.610 21.047 ( -6.151 8.327 1.408) 10.448 21.191 ( -8.544 -6.830 0.701) 10.961 22.380 ( 1.396 0.698 -0.545) 1.653 22.395 ( 1.115 -0.945 -0.334) 1.499 22.411 ( 3.054 0.720 0.471) 3.173 22.428 ( 2.652 -1.111 0.336) 2.895 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 1.264 3.023 -0.931) 3.407 1.431 ( -0.415 -5.186 0.269) 5.209 1.720 ( 11.401 7.267 0.651) 13.536 1.782 ( 3.746 1.993 -1.251) 4.424 1.884 ( 4.192 -0.517 4.153) 5.923 1.922 ( 1.008 -4.640 -1.675) 5.035 2.114 ( -1.207 3.546 2.279) 4.384 2.194 ( 2.630 -6.543 2.854) 7.607 2.234 ( -8.279 3.971 -5.534) 10.721 2.330 ( -3.554 -3.337 -4.657) 6.742 2.362 ( -1.827 2.538 -1.887) 3.653 2.416 ( 4.265 -0.603 -2.658) 5.062 2.447 ( -0.824 -0.171 -1.915) 2.092 2.483 ( -0.500 -3.568 -3.451) 4.989 2.571 ( -3.072 -0.821 -2.042) 3.779 2.596 ( -8.149 -2.195 -0.097) 8.439 2.710 ( -0.337 1.325 -0.626) 1.504 2.725 ( 1.023 0.363 -3.223) 3.401 2.867 ( 4.719 3.918 -0.745) 6.179 2.928 ( 5.284 -1.020 -1.609) 5.617 3.000 ( -3.218 3.311 -0.548) 4.649 3.025 ( -0.632 1.998 3.524) 4.100 3.068 ( 0.644 -4.701 0.378) 4.760 3.109 ( -3.305 -5.002 5.337) 8.027 3.241 ( 8.375 4.936 -1.254) 9.802 3.321 ( 2.132 -2.194 2.897) 4.213 3.413 ( 0.830 3.372 3.017) 4.600 3.461 ( -0.871 3.448 1.209) 3.756 3.495 ( 4.928 -0.615 4.405) 6.638 3.529 ( 7.422 -0.149 1.563) 7.587 3.597 ( 2.305 1.118 -0.475) 2.606 3.610 ( -1.106 1.751 -0.715) 2.191 3.700 ( 3.859 6.998 3.492) 8.721 3.741 ( -1.085 5.981 -0.897) 6.144 3.778 ( 7.743 2.823 3.049) 8.787 3.812 ( -2.509 1.104 -1.065) 2.940 3.909 ( 1.745 -3.201 -3.655) 5.162 3.913 ( 7.515 -3.884 0.035) 8.459 4.065 ( 0.782 2.704 2.942) 4.072 4.087 ( -0.164 -0.467 2.936) 2.977 4.109 ( 1.307 0.621 0.187) 1.459 4.127 ( -1.959 3.212 -1.535) 4.063 4.201 ( 0.332 1.071 3.975) 4.130 4.286 ( 6.985 -4.521 0.363) 8.329 4.330 ( -3.866 0.761 0.275) 3.950 4.408 ( -2.869 -6.177 -2.270) 7.179 4.463 ( 4.494 2.232 -0.494) 5.042 4.501 ( 0.849 -1.806 -2.612) 3.287 4.637 ( -6.955 2.459 -5.438) 9.164 4.738 ( -1.508 -1.774 0.021) 2.328 4.825 ( 7.841 1.879 -1.779) 8.257 4.842 ( 4.712 -3.962 -1.663) 6.377 4.959 ( 0.453 5.432 -1.232) 5.589 5.053 ( -6.997 -0.110 0.187) 7.001 5.073 ( 2.467 5.482 -3.504) 6.958 5.170 ( 0.260 -4.784 -3.025) 5.666 5.230 ( -3.064 -1.375 -1.944) 3.880 5.278 ( -5.618 -0.764 5.231) 7.714 5.324 ( -1.538 2.521 1.744) 3.430 5.391 ( -0.747 -3.167 -1.190) 3.465 5.521 ( -1.190 2.154 4.056) 4.744 5.551 ( 1.754 -1.063 1.516) 2.551 5.643 ( -1.445 -0.889 1.402) 2.201 5.666 ( -0.403 -3.225 -2.544) 4.128 5.818 ( -1.005 -0.712 1.537) 1.970 5.832 ( -0.236 -2.032 2.654) 3.351 5.869 ( -5.105 1.952 -4.295) 6.951 5.918 ( -6.089 -2.731 -5.140) 8.424 6.045 ( -3.974 4.780 0.557) 6.241 6.138 ( -3.887 -5.394 1.377) 6.789 6.300 ( -0.408 3.337 2.014) 3.919 6.370 ( -1.999 -4.433 2.310) 5.384 6.559 ( -0.071 3.182 -1.387) 3.472 6.609 ( 0.180 -2.388 -1.420) 2.784 6.642 ( 1.092 1.911 -0.653) 2.296 6.681 ( 0.964 -2.435 -0.781) 2.733 6.876 ( 0.794 1.408 0.318) 1.647 6.892 ( -0.086 -0.871 0.080) 0.879 6.979 ( -1.902 2.941 2.034) 4.050 7.021 ( -0.220 -0.873 0.452) 1.008 7.312 ( 1.132 4.539 -1.698) 4.977 7.363 ( -2.495 1.811 0.040) 3.083 7.430 ( 0.231 1.962 0.163) 1.982 7.487 ( 0.275 -3.629 2.543) 4.440 7.654 ( -0.912 1.309 -1.549) 2.224 7.748 ( 0.845 -6.449 -0.917) 6.569 7.940 ( 1.930 0.368 0.862) 2.146 7.975 ( 0.172 -2.514 -0.362) 2.546 8.156 ( 1.529 6.099 0.385) 6.299 8.244 ( 2.711 -3.191 0.520) 4.219 8.319 ( 0.748 3.200 -0.617) 3.344 8.341 ( -0.085 0.893 -1.376) 1.643 8.598 ( -2.394 0.707 -0.815) 2.626 8.614 ( -3.188 -1.672 -0.684) 3.664 8.791 ( -0.560 3.070 -0.872) 3.240 8.842 ( -0.037 -2.022 -0.667) 2.129 9.008 ( 1.622 2.939 0.340) 3.374 9.031 ( 3.077 1.056 1.929) 3.782 9.078 ( 3.098 2.120 -0.823) 3.843 9.135 ( 2.948 -3.862 1.154) 4.993 9.273 ( 0.938 5.793 1.050) 5.961 9.380 ( 1.464 -5.152 2.152) 5.773 9.459 ( -1.869 7.827 1.235) 8.141 9.530 ( 0.224 -0.599 0.234) 0.681 9.548 ( -0.229 -0.725 -1.082) 1.322 9.573 ( -0.151 -3.667 -2.909) 4.683 9.636 ( -0.251 -1.460 0.482) 1.558 9.663 ( -1.759 -4.310 -0.755) 4.716 9.842 ( -1.608 5.268 -0.388) 5.521 9.980 ( -1.717 -7.576 1.228) 7.865 10.046 ( 0.668 3.413 2.693) 4.399 10.080 ( -1.076 0.531 -1.131) 1.649 10.153 ( 1.176 1.045 0.041) 1.574 10.162 ( 3.565 -0.451 1.247) 3.804 10.271 ( 0.126 2.121 -2.331) 3.154 10.330 ( -1.765 -2.667 -1.112) 3.386 10.374 ( -0.441 0.417 -1.878) 1.973 10.411 ( 1.152 -2.236 -1.128) 2.756 10.495 ( 4.356 1.385 1.089) 4.699 10.529 ( 2.056 -1.609 -1.140) 2.849 10.683 ( 0.166 0.268 0.624) 0.699 10.699 ( -0.370 -0.521 0.540) 0.836 10.854 ( 3.038 2.704 -0.149) 4.070 10.917 ( 1.135 -2.986 0.831) 3.301 10.999 ( -6.074 0.387 -1.081) 6.182 11.021 ( -6.480 -1.111 0.559) 6.598 11.182 ( 0.586 2.590 1.733) 3.171 11.214 ( 0.515 -1.113 -0.684) 1.404 11.489 ( 0.090 1.780 -0.918) 2.005 11.528 ( -0.095 -1.548 -0.158) 1.559 11.635 ( 1.709 3.065 0.937) 3.632 11.671 ( 0.092 -0.256 -0.925) 0.965 11.916 ( 2.045 -0.004 -0.327) 2.071 11.958 ( -0.040 -4.220 0.889) 4.313 12.148 ( -0.347 13.421 -0.009) 13.426 12.409 ( -0.212 -6.466 -2.031) 6.781 12.490 ( -2.149 4.637 -1.479) 5.321 12.779 ( -0.545 -19.299 -1.963) 19.406 13.090 ( -0.921 11.779 2.197) 12.018 13.327 ( -0.129 -13.598 1.685) 13.703 13.694 ( 2.240 -0.394 0.040) 2.275 13.723 ( 1.150 -3.489 1.095) 3.833 14.010 ( -1.342 0.675 -1.516) 2.134 14.035 ( -1.692 -1.697 -0.754) 2.512 14.369 ( -0.287 5.777 1.296) 5.927 14.440 ( -0.037 -1.459 2.127) 2.580 14.714 ( 0.962 2.500 0.510) 2.727 14.730 ( 0.540 1.229 -0.775) 1.550 14.888 ( 1.021 0.676 0.081) 1.227 14.901 ( 0.636 -1.318 0.372) 1.510 15.259 ( 0.677 5.027 0.044) 5.073 15.335 ( 0.479 -2.884 0.138) 2.927 17.236 ( -0.162 13.784 -0.404) 13.791 17.413 ( 1.726 -2.441 0.333) 3.008 17.434 ( 0.469 8.527 -0.546) 8.557 17.570 ( 0.760 -2.949 0.175) 3.050 18.037 ( 3.175 0.971 -0.578) 3.370 18.080 ( 4.041 -2.688 -1.260) 5.014 18.206 ( -1.321 -6.109 0.899) 6.314 18.240 ( -7.597 -6.761 -0.448) 10.180 18.839 ( 1.213 3.277 -0.373) 3.515 18.899 ( 1.562 -3.233 -0.549) 3.632 19.100 ( 1.148 -1.767 -1.552) 2.617 19.112 ( -0.209 -3.003 -2.290) 3.783 19.578 ( 0.482 3.973 -1.344) 4.222 19.588 ( 1.127 4.469 -0.405) 4.627 19.645 ( 1.259 0.836 1.082) 1.858 19.733 ( 4.404 -4.104 0.105) 6.021 19.997 ( -2.757 3.553 3.900) 5.953 20.116 ( -1.636 -7.515 6.807) 10.271 20.470 ( -2.453 1.883 0.708) 3.172 20.475 ( -1.405 0.960 -3.061) 3.503 20.675 ( -1.239 2.951 -0.389) 3.224 20.716 ( -2.440 -1.577 -1.290) 3.179 20.959 ( -3.164 5.220 0.421) 6.119 21.062 ( -4.655 -5.461 0.127) 7.177 22.395 ( 0.623 0.447 -0.319) 0.830 22.406 ( 0.335 -0.733 -0.233) 0.839 22.457 ( 1.320 0.474 0.310) 1.436 22.467 ( 1.118 -0.690 0.212) 1.330 ======================= Grid point 35 (13/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -4.015 0.000 26.241) 26.547 0.557 ( 0.942 0.000 29.736) 29.751 0.802 ( 1.994 0.000 38.988) 39.039 1.582 ( -7.480 0.000 -12.347) 14.436 1.673 ( -0.972 0.000 -5.875) 5.955 1.737 ( 8.529 0.000 -13.348) 15.840 1.890 ( -0.716 0.000 -3.794) 3.861 1.959 ( -3.486 0.000 2.088) 4.063 2.067 ( 3.968 0.000 3.226) 5.114 2.150 ( -2.605 0.000 -0.246) 2.616 2.287 ( 4.003 0.000 8.359) 9.268 2.357 ( -4.278 0.000 -2.822) 5.125 2.449 ( 3.120 0.000 -7.587) 8.204 2.523 ( 1.072 0.000 -0.172) 1.085 2.639 ( -3.884 0.000 0.791) 3.964 2.649 ( 1.476 0.000 1.026) 1.798 2.733 ( 1.085 0.000 -1.604) 1.936 2.763 ( -2.430 0.000 -4.784) 5.366 2.832 ( -2.567 0.000 -6.217) 6.726 2.860 ( -0.959 0.000 -5.773) 5.852 2.885 ( -4.577 0.000 -0.792) 4.645 3.024 ( 0.845 0.000 2.171) 2.330 3.080 ( 0.781 0.000 -0.090) 0.786 3.145 ( -4.355 0.000 -0.726) 4.415 3.151 ( 6.949 0.000 3.283) 7.686 3.230 ( 1.001 0.000 -0.693) 1.217 3.246 ( -0.229 0.000 0.317) 0.391 3.258 ( 2.126 0.000 3.684) 4.253 3.379 ( -0.783 0.000 2.430) 2.553 3.400 ( 3.663 0.000 -0.173) 3.667 3.485 ( -5.361 0.000 2.369) 5.861 3.502 ( 1.164 0.000 6.720) 6.821 3.552 ( -3.356 0.000 -1.837) 3.826 3.599 ( 2.379 0.000 -1.284) 2.704 3.618 ( 4.215 0.000 -3.812) 5.683 3.664 ( -0.397 0.000 -2.675) 2.704 3.794 ( -7.346 0.000 -3.179) 8.004 3.896 ( 4.813 0.000 1.667) 5.093 3.911 ( -4.896 0.000 -5.845) 7.624 3.984 ( 5.043 0.000 -0.812) 5.108 3.990 ( 3.213 0.000 -3.678) 4.884 4.102 ( -4.083 0.000 -5.168) 6.586 4.285 ( 9.235 0.000 -4.690) 10.358 4.298 ( 1.342 0.000 7.481) 7.600 4.421 ( 0.408 0.000 6.246) 6.260 4.433 ( -5.298 0.000 1.062) 5.403 4.453 ( 1.113 0.000 -0.066) 1.115 4.561 ( -0.194 0.000 1.217) 1.232 4.587 ( -2.598 0.000 -7.785) 8.207 4.747 ( 1.073 0.000 -0.426) 1.154 4.770 ( 0.035 0.000 -1.018) 1.018 4.933 ( 1.243 0.000 1.202) 1.729 5.032 ( 4.307 0.000 1.303) 4.500 5.062 ( -8.056 0.000 0.505) 8.072 5.186 ( 0.377 0.000 0.908) 0.983 5.288 ( -6.022 0.000 -0.853) 6.082 5.331 ( 0.088 0.000 -1.202) 1.205 5.379 ( 10.923 0.000 9.771) 14.655 5.441 ( 0.093 0.000 1.328) 1.331 5.574 ( 3.643 0.000 6.463) 7.419 5.609 ( -2.232 0.000 -1.829) 2.886 5.627 ( -2.789 0.000 -1.008) 2.965 5.873 ( 5.020 0.000 -4.857) 6.984 5.920 ( 3.309 0.000 0.463) 3.341 5.956 ( 1.036 0.000 1.650) 1.949 6.035 ( -2.637 0.000 -0.997) 2.819 6.042 ( -1.858 0.000 -4.185) 4.579 6.068 ( -2.530 0.000 2.526) 3.575 6.093 ( 5.196 0.000 -5.034) 7.235 6.273 ( -5.896 0.000 -11.426) 12.858 6.467 ( -2.514 0.000 -0.510) 2.565 6.514 ( -1.594 0.000 -5.998) 6.206 6.587 ( -0.300 0.000 0.181) 0.350 6.616 ( 2.275 0.000 -1.461) 2.704 6.634 ( 0.840 0.000 1.974) 2.145 6.765 ( 0.434 0.000 3.055) 3.086 6.896 ( -4.743 0.000 7.380) 8.773 6.919 ( 1.502 0.000 3.042) 3.393 7.013 ( -2.816 0.000 2.383) 3.689 7.060 ( -6.912 0.000 8.765) 11.163 7.086 ( -1.182 0.000 -5.155) 5.289 7.182 ( 4.184 0.000 5.566) 6.964 7.426 ( 8.185 0.000 0.573) 8.205 7.469 ( 1.603 0.000 1.945) 2.520 7.654 ( -2.779 0.000 -1.347) 3.088 7.688 ( -0.339 0.000 7.175) 7.183 7.816 ( 0.615 0.000 2.635) 2.706 7.870 ( -0.054 0.000 -4.450) 4.450 7.941 ( 0.427 0.000 -0.852) 0.953 7.999 ( -0.533 0.000 0.061) 0.536 8.365 ( -5.887 0.000 -6.099) 8.477 8.418 ( 2.035 0.000 1.355) 2.445 8.500 ( 0.003 0.000 -0.132) 0.132 8.604 ( -2.190 0.000 -7.740) 8.044 8.697 ( -4.531 0.000 1.515) 4.778 8.802 ( 4.618 0.000 -1.093) 4.746 8.803 ( 4.280 0.000 4.236) 6.022 9.023 ( 2.240 0.000 3.726) 4.347 9.116 ( 3.474 0.000 -8.800) 9.461 9.142 ( 2.151 0.000 -0.847) 2.312 9.272 ( -19.713 0.000 -0.109) 19.713 9.406 ( -2.956 0.000 0.103) 2.958 9.458 ( 8.784 0.000 -1.923) 8.992 9.468 ( -6.395 0.000 -1.536) 6.576 9.557 ( 6.071 0.000 -0.575) 6.098 9.632 ( -3.236 0.000 1.247) 3.468 9.636 ( -1.944 0.000 -0.168) 1.951 9.723 ( -1.883 0.000 -3.839) 4.276 9.810 ( 1.729 0.000 3.238) 3.671 9.874 ( -2.076 0.000 4.420) 4.883 9.919 ( -0.923 0.000 0.343) 0.984 9.988 ( 0.583 0.000 0.627) 0.856 10.013 ( 0.981 0.000 1.039) 1.429 10.215 ( 2.699 0.000 0.251) 2.710 10.262 ( 0.618 0.000 -3.344) 3.400 10.286 ( 14.663 0.000 5.513) 15.666 10.347 ( -2.277 0.000 -4.243) 4.816 10.426 ( 0.023 0.000 -2.650) 2.650 10.574 ( 0.072 0.000 -2.818) 2.819 10.600 ( -4.078 0.000 0.789) 4.153 10.664 ( 5.316 0.000 0.427) 5.333 10.702 ( -0.792 0.000 5.818) 5.871 10.810 ( -1.972 0.000 2.031) 2.831 10.862 ( 3.734 0.000 3.575) 5.169 10.871 ( -5.303 0.000 7.250) 8.983 11.091 ( 1.953 0.000 -5.702) 6.027 11.220 ( 0.709 0.000 0.008) 0.709 11.355 ( -2.973 0.000 -6.024) 6.718 11.454 ( -1.447 0.000 4.904) 5.113 11.552 ( 3.401 0.000 2.213) 4.057 11.704 ( 0.681 0.000 -2.472) 2.564 11.715 ( 0.847 0.000 -2.555) 2.691 11.868 ( -0.582 0.000 0.388) 0.699 11.910 ( -4.778 0.000 7.930) 9.258 12.079 ( 3.157 0.000 -5.424) 6.276 12.457 ( -5.257 0.000 -4.869) 7.165 12.656 ( 0.160 0.000 -8.064) 8.066 12.745 ( 4.505 0.000 -7.079) 8.391 13.013 ( -1.605 0.000 6.146) 6.353 13.224 ( 6.818 0.000 -1.791) 7.050 13.762 ( 2.144 0.000 2.378) 3.202 13.811 ( -3.085 0.000 10.293) 10.745 13.914 ( 0.854 0.000 1.391) 1.632 14.179 ( 0.589 0.000 2.587) 2.653 14.315 ( -1.544 0.000 -0.424) 1.602 14.482 ( 1.954 0.000 -8.352) 8.577 14.701 ( 1.151 0.000 3.258) 3.456 14.753 ( -1.957 0.000 4.746) 5.134 14.916 ( 0.736 0.000 -2.084) 2.210 14.953 ( -0.792 0.000 -3.699) 3.783 15.182 ( -11.365 0.000 4.024) 12.056 15.328 ( 0.826 0.000 -0.823) 1.165 17.078 ( -5.053 0.000 0.164) 5.056 17.125 ( 2.540 0.000 -1.451) 2.926 17.208 ( 2.443 0.000 0.744) 2.554 17.276 ( -3.366 0.000 -0.646) 3.427 17.546 ( 1.738 0.000 2.874) 3.358 17.757 ( -1.916 0.000 -2.412) 3.081 18.509 ( -0.500 0.000 0.686) 0.849 18.527 ( -0.297 0.000 -0.096) 0.313 18.587 ( -0.244 0.000 1.337) 1.359 18.768 ( -0.351 0.000 -3.171) 3.190 19.185 ( 0.341 0.000 1.015) 1.071 19.221 ( 0.277 0.000 -0.076) 0.287 19.277 ( 3.302 0.000 3.285) 4.657 19.435 ( -0.973 0.000 -1.265) 1.596 19.657 ( -0.965 0.000 -0.136) 0.974 19.695 ( 1.644 0.000 -1.855) 2.479 20.421 ( 1.404 0.000 1.244) 1.876 20.444 ( 10.821 0.000 4.695) 11.796 20.651 ( -0.687 0.000 -3.563) 3.628 20.654 ( -3.375 0.000 -0.200) 3.381 20.813 ( 3.627 0.000 -0.338) 3.643 20.954 ( -1.298 0.000 -3.981) 4.187 21.299 ( 0.538 0.000 2.835) 2.885 21.445 ( 1.353 0.000 -1.320) 1.890 22.296 ( 0.850 0.000 0.680) 1.088 22.349 ( -1.163 0.000 -0.710) 1.363 22.359 ( -2.419 0.000 0.575) 2.487 22.394 ( 0.121 0.000 -0.239) 0.268 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 13.340 0.000 14.947) 20.034 0.917 ( 16.589 0.000 22.388) 27.864 1.375 ( -5.280 0.000 -12.637) 13.696 1.491 ( 34.874 0.000 16.428) 38.549 1.640 ( 0.221 0.000 -0.082) 0.236 1.864 ( 5.997 0.000 -12.991) 14.309 1.874 ( 10.415 0.000 -5.312) 11.692 2.030 ( 4.217 0.000 5.414) 6.862 2.106 ( 5.131 0.000 -5.043) 7.195 2.145 ( -0.402 0.000 1.073) 1.146 2.347 ( 4.668 0.000 3.037) 5.569 2.434 ( -1.801 0.000 -12.740) 12.867 2.458 ( 3.020 0.000 4.111) 5.101 2.545 ( -1.553 0.000 -3.829) 4.132 2.584 ( 5.587 0.000 5.452) 7.806 2.645 ( -1.587 0.000 -3.494) 3.838 2.721 ( -2.180 0.000 -0.781) 2.315 2.756 ( 0.849 0.000 2.688) 2.819 2.786 ( 0.076 0.000 -4.004) 4.005 2.825 ( 3.364 0.000 1.535) 3.697 2.841 ( 1.392 0.000 -0.471) 1.470 3.070 ( -2.551 0.000 -2.189) 3.361 3.078 ( 0.545 0.000 4.398) 4.431 3.135 ( 4.338 0.000 -0.555) 4.373 3.212 ( -3.718 0.000 -6.733) 7.691 3.264 ( 1.947 0.000 -2.515) 3.181 3.277 ( -1.025 0.000 2.083) 2.321 3.284 ( -1.727 0.000 0.655) 1.847 3.350 ( 6.256 0.000 6.408) 8.955 3.353 ( -5.616 0.000 1.158) 5.734 3.486 ( 7.628 0.000 -3.585) 8.429 3.496 ( -0.019 0.000 2.167) 2.167 3.498 ( -4.120 0.000 6.110) 7.369 3.589 ( -8.288 0.000 -4.151) 9.269 3.664 ( 6.612 0.000 0.907) 6.673 3.722 ( 3.566 0.000 1.520) 3.876 3.784 ( 5.102 0.000 -2.457) 5.663 3.789 ( -0.129 0.000 -12.110) 12.111 3.978 ( -5.350 0.000 -0.831) 5.415 4.014 ( 5.668 0.000 -0.935) 5.745 4.058 ( 3.709 0.000 0.377) 3.728 4.067 ( 4.183 0.000 -4.586) 6.207 4.281 ( -5.128 0.000 -0.721) 5.179 4.323 ( -2.413 0.000 0.928) 2.585 4.378 ( -1.413 0.000 3.007) 3.322 4.445 ( -0.967 0.000 2.648) 2.819 4.484 ( 5.098 0.000 -2.665) 5.752 4.518 ( 0.756 0.000 -5.748) 5.797 4.589 ( -0.881 0.000 2.261) 2.426 4.770 ( 0.311 0.000 -0.620) 0.694 4.807 ( 4.651 0.000 -1.181) 4.799 4.947 ( -1.509 0.000 3.911) 4.192 4.966 ( -2.335 0.000 8.623) 8.933 5.059 ( -0.025 0.000 -4.789) 4.789 5.134 ( -9.102 0.000 0.621) 9.123 5.214 ( 0.969 0.000 -0.230) 0.996 5.425 ( 6.156 0.000 0.550) 6.180 5.437 ( -14.380 0.000 -4.183) 14.976 5.458 ( 0.370 0.000 2.338) 2.367 5.496 ( 0.230 0.000 -1.848) 1.862 5.619 ( -0.901 0.000 7.020) 7.077 5.676 ( -5.273 0.000 7.711) 9.341 5.722 ( -2.201 0.000 -6.436) 6.802 5.857 ( -5.377 0.000 -9.657) 11.053 5.938 ( -3.230 0.000 0.891) 3.350 5.953 ( -5.513 0.000 4.159) 6.906 5.994 ( -3.248 0.000 3.984) 5.140 6.004 ( -0.322 0.000 -1.449) 1.484 6.133 ( -2.354 0.000 -7.827) 8.173 6.146 ( -1.233 0.000 2.071) 2.411 6.435 ( -0.113 0.000 1.150) 1.155 6.455 ( -0.420 0.000 -2.515) 2.550 6.617 ( 2.772 0.000 -1.914) 3.369 6.656 ( -2.073 0.000 1.112) 2.353 6.677 ( 2.749 0.000 0.798) 2.862 6.690 ( -1.708 0.000 1.212) 2.094 6.807 ( -6.979 0.000 1.878) 7.227 6.907 ( 0.871 0.000 0.485) 0.997 6.962 ( -7.002 0.000 4.029) 8.078 7.003 ( -3.363 0.000 9.756) 10.319 7.054 ( 1.007 0.000 -2.350) 2.557 7.369 ( 5.542 0.000 4.587) 7.194 7.487 ( -2.499 0.000 5.242) 5.807 7.578 ( 3.570 0.000 5.020) 6.160 7.714 ( 5.669 0.000 -7.596) 9.479 7.766 ( 4.322 0.000 1.020) 4.440 7.837 ( 0.107 0.000 -5.188) 5.189 7.925 ( 5.489 0.000 -2.780) 6.153 7.985 ( 3.540 0.000 4.274) 5.549 7.994 ( 4.803 0.000 -0.767) 4.864 8.181 ( -7.364 0.000 -5.735) 9.334 8.321 ( -6.207 0.000 -1.840) 6.474 8.503 ( 0.991 0.000 -1.277) 1.617 8.732 ( 11.599 0.000 -2.045) 11.778 8.733 ( 4.119 0.000 2.412) 4.774 8.851 ( -4.862 0.000 2.358) 5.403 8.930 ( 7.162 0.000 1.323) 7.283 8.970 ( 2.085 0.000 2.721) 3.428 9.002 ( -5.833 0.000 -0.511) 5.855 9.090 ( -6.322 0.000 -0.763) 6.368 9.193 ( 5.385 0.000 -3.218) 6.273 9.249 ( -10.867 0.000 -0.322) 10.872 9.437 ( 1.414 0.000 -1.954) 2.413 9.539 ( -2.739 0.000 -0.166) 2.744 9.567 ( 1.546 0.000 -4.364) 4.630 9.649 ( 5.788 0.000 7.534) 9.501 9.668 ( 1.585 0.000 3.542) 3.880 9.740 ( 2.765 0.000 -12.344) 12.650 9.877 ( -2.899 0.000 5.960) 6.627 9.887 ( -0.328 0.000 -3.500) 3.515 9.914 ( 4.168 0.000 3.456) 5.414 9.982 ( -0.667 0.000 -0.400) 0.778 10.118 ( 7.110 0.000 5.040) 8.715 10.229 ( -0.246 0.000 -0.869) 0.903 10.252 ( -0.038 0.000 -2.173) 2.173 10.310 ( 0.898 0.000 -3.336) 3.455 10.391 ( -1.592 0.000 -2.051) 2.597 10.506 ( -4.202 0.000 -3.589) 5.527 10.507 ( 2.892 0.000 -5.684) 6.377 10.574 ( -1.357 0.000 0.812) 1.582 10.726 ( 0.424 0.000 2.007) 2.051 10.802 ( -1.388 0.000 5.845) 6.007 10.816 ( -5.411 0.000 6.214) 8.240 10.877 ( 15.687 0.000 -9.835) 18.515 10.933 ( 0.816 0.000 3.410) 3.506 11.086 ( 0.720 0.000 -3.545) 3.617 11.243 ( 1.975 0.000 0.213) 1.986 11.248 ( -4.178 0.000 -4.546) 6.174 11.480 ( 0.772 0.000 5.611) 5.663 11.592 ( -0.280 0.000 0.620) 0.680 11.640 ( -5.078 0.000 -4.244) 6.618 11.675 ( -3.133 0.000 -2.853) 4.237 11.847 ( -1.135 0.000 -1.118) 1.593 11.918 ( 0.792 0.000 5.733) 5.788 12.113 ( 2.957 0.000 -1.995) 3.567 12.358 ( -4.049 0.000 -1.818) 4.439 12.630 ( 3.377 0.000 -10.662) 11.184 12.795 ( 4.642 0.000 -5.737) 7.380 13.079 ( 4.436 0.000 5.747) 7.260 13.423 ( 13.919 0.000 -11.622) 18.133 13.804 ( 0.314 0.000 4.030) 4.042 13.806 ( -2.238 0.000 5.394) 5.840 13.982 ( 3.426 0.000 3.624) 4.986 14.174 ( -3.395 0.000 3.145) 4.628 14.252 ( -4.141 0.000 -1.203) 4.312 14.466 ( 2.566 0.000 -9.349) 9.695 14.736 ( -3.032 0.000 4.716) 5.606 14.757 ( 2.763 0.000 2.023) 3.425 14.820 ( -11.421 0.000 7.562) 13.698 14.923 ( 1.535 0.000 -2.232) 2.709 15.082 ( -1.438 0.000 6.182) 6.347 15.339 ( 0.609 0.000 -0.410) 0.734 16.981 ( -4.420 0.000 -1.259) 4.595 17.188 ( -0.674 0.000 -2.763) 2.844 17.275 ( 3.984 0.000 1.223) 4.168 17.336 ( 9.539 0.000 -4.756) 10.659 17.683 ( 9.820 0.000 4.743) 10.905 17.768 ( 5.242 0.000 -3.580) 6.348 18.550 ( 2.240 0.000 0.057) 2.241 18.577 ( 0.052 0.000 1.213) 1.214 18.625 ( 9.574 0.000 -3.358) 10.146 18.733 ( -1.006 0.000 -2.651) 2.836 19.209 ( 2.082 0.000 -0.587) 2.163 19.233 ( 0.647 0.000 0.500) 0.817 19.363 ( 2.166 0.000 3.556) 4.163 19.408 ( -0.667 0.000 -3.059) 3.131 19.612 ( -2.598 0.000 -0.904) 2.751 19.697 ( -0.207 0.000 -1.227) 1.244 20.380 ( -5.856 0.000 2.085) 6.217 20.486 ( -5.929 0.000 2.855) 6.581 20.563 ( -4.151 0.000 -3.983) 5.753 20.601 ( -1.098 0.000 -1.539) 1.891 20.842 ( -8.624 0.000 -0.479) 8.638 20.876 ( 2.061 0.000 1.106) 2.339 21.045 ( -19.966 0.000 14.419) 24.628 21.407 ( -4.578 0.000 -1.723) 4.892 22.333 ( 0.402 0.000 -1.086) 1.158 22.342 ( 3.340 0.000 1.175) 3.541 22.401 ( 3.660 0.000 -0.457) 3.688 22.406 ( 1.096 0.000 -0.260) 1.127 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 21.301 0.000 2.238) 21.418 1.238 ( 4.597 0.000 -8.525) 9.685 1.420 ( 17.896 0.000 18.777) 25.939 1.601 ( 1.545 0.000 -3.887) 4.183 1.931 ( -4.242 0.000 3.706) 5.633 1.933 ( 11.029 0.000 -14.391) 18.131 2.042 ( 11.080 0.000 12.581) 16.764 2.144 ( 3.551 0.000 -11.671) 12.199 2.209 ( 0.744 0.000 -2.643) 2.745 2.209 ( 8.275 0.000 -1.166) 8.357 2.319 ( 5.352 0.000 -6.180) 8.175 2.409 ( -5.361 0.000 1.873) 5.679 2.491 ( 5.484 0.000 -4.066) 6.827 2.513 ( -0.390 0.000 -4.764) 4.780 2.613 ( 0.011 0.000 -2.561) 2.561 2.703 ( 1.231 0.000 7.153) 7.258 2.744 ( -8.693 0.000 1.882) 8.894 2.781 ( 4.817 0.000 1.561) 5.064 2.806 ( -1.339 0.000 1.174) 1.781 2.835 ( 8.026 0.000 2.558) 8.423 2.913 ( 4.149 0.000 6.271) 7.519 3.059 ( 0.332 0.000 1.660) 1.693 3.102 ( 4.876 0.000 3.375) 5.931 3.168 ( -2.083 0.000 3.976) 4.488 3.208 ( 3.115 0.000 -0.765) 3.208 3.234 ( -1.003 0.000 -3.263) 3.414 3.253 ( 0.146 0.000 1.863) 1.868 3.304 ( -1.602 0.000 0.937) 1.856 3.330 ( 5.982 0.000 -2.950) 6.670 3.417 ( 3.456 0.000 2.184) 4.088 3.466 ( -3.581 0.000 2.590) 4.420 3.476 ( -3.198 0.000 2.150) 3.854 3.596 ( 6.154 0.000 -4.672) 7.726 3.656 ( 10.063 0.000 5.428) 11.434 3.667 ( -2.061 0.000 -10.091) 10.300 3.785 ( -0.609 0.000 0.026) 0.609 3.811 ( 8.071 0.000 -5.172) 9.586 3.829 ( 4.180 0.000 3.246) 5.292 3.923 ( 1.547 0.000 -1.218) 1.968 4.055 ( -1.096 0.000 -1.680) 2.006 4.100 ( -1.030 0.000 0.268) 1.064 4.144 ( 10.494 0.000 -9.422) 14.103 4.231 ( -6.304 0.000 1.306) 6.438 4.326 ( 0.859 0.000 5.473) 5.540 4.349 ( 4.429 0.000 -0.982) 4.536 4.459 ( -0.268 0.000 0.067) 0.276 4.496 ( 0.513 0.000 -8.495) 8.510 4.518 ( 0.468 0.000 1.288) 1.371 4.622 ( 4.417 0.000 3.863) 5.868 4.701 ( -8.120 0.000 -2.095) 8.386 4.886 ( -17.484 0.000 0.103) 17.484 4.887 ( 4.266 0.000 -1.049) 4.393 4.950 ( -3.887 0.000 3.294) 5.094 4.978 ( -4.823 0.000 -6.210) 7.863 5.036 ( -2.626 0.000 9.562) 9.916 5.169 ( -3.016 0.000 -4.257) 5.217 5.238 ( 4.428 0.000 -1.459) 4.662 5.416 ( -7.990 0.000 -0.002) 7.990 5.461 ( -0.542 0.000 -5.589) 5.615 5.483 ( -1.685 0.000 0.694) 1.822 5.586 ( -3.237 0.000 1.854) 3.731 5.649 ( 3.431 0.000 2.790) 4.422 5.706 ( -2.332 0.000 -8.608) 8.918 5.774 ( 2.371 0.000 4.676) 5.243 5.854 ( -6.580 0.000 1.279) 6.703 5.874 ( -5.204 0.000 2.505) 5.776 5.949 ( -4.524 0.000 5.213) 6.902 5.995 ( -2.602 0.000 -4.447) 5.153 6.073 ( -7.119 0.000 4.149) 8.240 6.126 ( 5.549 0.000 0.512) 5.572 6.440 ( -1.671 0.000 -1.105) 2.003 6.472 ( 1.774 0.000 2.879) 3.382 6.531 ( -9.575 0.000 -0.616) 9.595 6.582 ( -1.785 0.000 0.983) 2.038 6.713 ( -0.683 0.000 -1.207) 1.387 6.727 ( 1.852 0.000 -0.413) 1.898 6.789 ( 3.315 0.000 -0.842) 3.420 6.899 ( 0.202 0.000 0.241) 0.314 6.931 ( 1.453 0.000 0.294) 1.482 6.984 ( -4.363 0.000 5.155) 6.754 7.100 ( 4.097 0.000 1.244) 4.282 7.378 ( -5.161 0.000 -0.687) 5.207 7.460 ( -3.524 0.000 4.774) 5.934 7.611 ( -0.804 0.000 2.989) 3.096 7.781 ( -0.611 0.000 -2.743) 2.810 7.797 ( 4.141 0.000 -1.351) 4.356 7.864 ( 3.604 0.000 -1.423) 3.874 7.994 ( 7.238 0.000 -0.264) 7.242 8.043 ( -2.108 0.000 0.582) 2.187 8.116 ( 5.474 0.000 -3.467) 6.480 8.117 ( 4.831 0.000 0.573) 4.864 8.249 ( -0.367 0.000 -1.434) 1.481 8.540 ( 1.998 0.000 1.457) 2.473 8.754 ( -4.780 0.000 1.060) 4.896 8.799 ( 1.303 0.000 1.402) 1.914 8.896 ( 1.305 0.000 -1.015) 1.653 8.911 ( 2.190 0.000 2.269) 3.153 8.972 ( -5.238 0.000 -0.816) 5.302 9.051 ( 3.800 0.000 1.422) 4.058 9.081 ( -3.785 0.000 -1.874) 4.223 9.117 ( 8.662 0.000 -1.424) 8.778 9.250 ( 1.861 0.000 -0.743) 2.004 9.461 ( 2.324 0.000 -2.008) 3.072 9.503 ( -1.561 0.000 3.250) 3.605 9.602 ( 1.711 0.000 3.806) 4.173 9.679 ( 0.200 0.000 -13.380) 13.381 9.680 ( -3.003 0.000 2.909) 4.180 9.782 ( 3.137 0.000 4.673) 5.628 9.818 ( -2.893 0.000 0.188) 2.899 9.941 ( 5.156 0.000 1.224) 5.299 9.950 ( -0.436 0.000 -0.139) 0.457 10.028 ( 4.584 0.000 1.403) 4.794 10.135 ( -4.783 0.000 -3.440) 5.892 10.221 ( 0.833 0.000 -1.418) 1.644 10.300 ( 0.264 0.000 -2.011) 2.028 10.324 ( 0.813 0.000 1.492) 1.699 10.398 ( 5.482 0.000 5.673) 7.889 10.440 ( -0.675 0.000 -3.175) 3.246 10.485 ( -1.119 0.000 -3.131) 3.325 10.519 ( -2.669 0.000 -2.636) 3.751 10.748 ( 2.044 0.000 -0.797) 2.193 10.751 ( -5.048 0.000 3.010) 5.877 10.822 ( -0.795 0.000 6.214) 6.265 10.932 ( -2.296 0.000 1.569) 2.780 10.990 ( 3.949 0.000 -5.595) 6.848 11.078 ( -0.536 0.000 -0.406) 0.673 11.152 ( -4.293 0.000 -2.123) 4.789 11.282 ( 1.709 0.000 -0.012) 1.709 11.501 ( -2.921 0.000 -4.370) 5.256 11.569 ( -1.854 0.000 0.010) 1.854 11.572 ( 1.834 0.000 6.309) 6.571 11.599 ( -3.284 0.000 -0.380) 3.306 11.806 ( -2.119 0.000 -2.095) 2.980 11.977 ( 2.919 0.000 0.214) 2.926 12.152 ( 0.845 0.000 2.328) 2.477 12.264 ( -5.001 0.000 -0.315) 5.011 12.642 ( 5.230 0.000 -10.928) 12.115 12.816 ( 1.553 0.000 -5.669) 5.878 13.221 ( 6.292 0.000 4.293) 7.617 13.543 ( 6.589 0.000 -7.541) 10.014 13.823 ( 2.232 0.000 -0.634) 2.321 13.838 ( 0.859 0.000 4.768) 4.845 14.050 ( 1.249 0.000 3.542) 3.756 14.093 ( -6.998 0.000 1.486) 7.154 14.172 ( -3.041 0.000 -1.728) 3.498 14.454 ( 2.429 0.000 -8.936) 9.260 14.700 ( -7.986 0.000 10.019) 12.812 14.712 ( -2.671 0.000 4.612) 5.329 14.820 ( 2.449 0.000 1.268) 2.758 14.939 ( 1.667 0.000 -2.278) 2.822 15.121 ( 1.260 0.000 3.662) 3.873 15.344 ( 0.359 0.000 -0.565) 0.669 16.913 ( -2.523 0.000 0.475) 2.568 17.146 ( -1.350 0.000 -2.419) 2.770 17.363 ( 4.446 0.000 0.825) 4.522 17.438 ( 4.610 0.000 -3.197) 5.610 17.899 ( 11.226 0.000 -2.812) 11.573 17.925 ( 11.878 0.000 4.895) 12.847 18.559 ( -3.188 0.000 0.212) 3.196 18.560 ( -2.668 0.000 1.778) 3.206 18.725 ( 2.185 0.000 -0.613) 2.269 18.813 ( 12.573 0.000 -4.909) 13.497 19.241 ( -0.175 0.000 -0.549) 0.576 19.246 ( 2.285 0.000 -1.754) 2.881 19.335 ( -6.181 0.000 2.253) 6.579 19.382 ( 1.143 0.000 -4.329) 4.477 19.622 ( 3.745 0.000 0.205) 3.751 19.679 ( -0.756 0.000 -1.109) 1.343 20.291 ( -3.832 0.000 -0.328) 3.846 20.314 ( -10.809 0.000 -4.647) 11.765 20.478 ( -4.862 0.000 1.676) 5.143 20.583 ( -0.527 0.000 -0.410) 0.668 20.709 ( -8.360 0.000 11.864) 14.513 20.825 ( -12.041 0.000 4.947) 13.017 20.892 ( -0.640 0.000 0.352) 0.731 21.267 ( -7.963 0.000 -3.577) 8.729 22.352 ( 2.065 0.000 -0.461) 2.116 22.413 ( 3.083 0.000 1.006) 3.243 22.422 ( 0.614 0.000 -0.050) 0.616 22.454 ( 2.424 0.000 -0.546) 2.485 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 7.418 0.000 2.845) 7.945 1.354 ( 10.814 0.000 -4.100) 11.565 1.722 ( 13.526 0.000 0.215) 13.527 1.818 ( -1.519 0.000 4.972) 5.199 1.902 ( 12.500 0.000 11.414) 16.927 2.003 ( -16.245 0.000 2.874) 16.497 2.050 ( -14.533 0.000 -1.418) 14.602 2.113 ( 3.218 0.000 -8.548) 9.134 2.113 ( 11.152 0.000 -6.998) 13.166 2.287 ( 5.796 0.000 11.050) 12.477 2.447 ( 6.865 0.000 -3.118) 7.539 2.456 ( 2.913 0.000 -1.222) 3.158 2.495 ( 0.095 0.000 -1.151) 1.154 2.544 ( 3.315 0.000 -3.459) 4.791 2.603 ( 3.017 0.000 0.963) 3.167 2.625 ( -4.350 0.000 -0.487) 4.377 2.672 ( -0.359 0.000 1.778) 1.814 2.797 ( -1.490 0.000 0.340) 1.528 2.843 ( -4.840 0.000 -1.541) 5.079 2.902 ( 3.755 0.000 0.857) 3.851 2.928 ( 0.041 0.000 2.862) 2.862 3.100 ( -1.664 0.000 4.594) 4.886 3.143 ( -3.819 0.000 -7.056) 8.023 3.153 ( -1.236 0.000 1.985) 2.338 3.200 ( -2.147 0.000 2.784) 3.515 3.273 ( 2.071 0.000 0.245) 2.085 3.298 ( -0.847 0.000 -3.787) 3.881 3.397 ( 0.226 0.000 -0.641) 0.680 3.411 ( 1.097 0.000 2.083) 2.355 3.436 ( 2.059 0.000 0.796) 2.208 3.523 ( 3.497 0.000 6.776) 7.625 3.557 ( -1.943 0.000 -6.027) 6.333 3.589 ( 17.002 0.000 10.483) 19.974 3.707 ( 9.095 0.000 -4.685) 10.231 3.772 ( -1.848 0.000 -1.446) 2.347 3.856 ( 3.899 0.000 6.055) 7.201 3.865 ( 0.290 0.000 -6.642) 6.649 3.913 ( 5.398 0.000 -4.487) 7.019 3.940 ( -14.266 0.000 -0.808) 14.289 3.997 ( 2.456 0.000 1.568) 2.914 4.037 ( 1.980 0.000 3.578) 4.089 4.107 ( -9.407 0.000 -7.942) 12.312 4.222 ( 0.242 0.000 -7.227) 7.231 4.338 ( -4.056 0.000 9.447) 10.281 4.382 ( -2.940 0.000 -2.182) 3.662 4.437 ( 7.525 0.000 -11.083) 13.397 4.454 ( 0.611 0.000 5.696) 5.729 4.562 ( 11.938 0.000 -9.187) 15.064 4.622 ( 3.316 0.000 7.680) 8.366 4.714 ( -0.352 0.000 -4.784) 4.797 4.753 ( 3.754 0.000 5.613) 6.753 4.888 ( -12.108 0.000 -0.147) 12.109 4.892 ( -1.205 0.000 2.826) 3.073 4.909 ( -4.332 0.000 3.184) 5.377 4.948 ( -0.304 0.000 0.388) 0.493 5.159 ( -8.695 0.000 -7.197) 11.287 5.198 ( 5.864 0.000 -4.436) 7.353 5.348 ( -3.494 0.000 5.731) 6.712 5.428 ( -0.135 0.000 -3.522) 3.524 5.484 ( -0.831 0.000 3.313) 3.416 5.517 ( 1.365 0.000 -3.066) 3.356 5.675 ( -3.380 0.000 -4.241) 5.423 5.705 ( -2.249 0.000 0.840) 2.400 5.756 ( 2.114 0.000 -3.058) 3.717 5.766 ( -3.800 0.000 4.205) 5.667 5.897 ( 5.128 0.000 1.614) 5.376 5.909 ( -2.658 0.000 3.433) 4.342 5.923 ( -2.231 0.000 -0.745) 2.352 5.995 ( -4.140 0.000 5.632) 6.990 6.218 ( 2.636 0.000 0.203) 2.644 6.365 ( -6.292 0.000 0.764) 6.338 6.386 ( -2.115 0.000 -0.254) 2.130 6.521 ( 1.148 0.000 1.168) 1.637 6.603 ( 1.103 0.000 1.343) 1.738 6.672 ( -1.382 0.000 0.329) 1.420 6.742 ( 0.947 0.000 -1.903) 2.126 6.827 ( 1.195 0.000 -1.120) 1.638 6.917 ( -4.182 0.000 0.474) 4.208 6.959 ( 1.196 0.000 -0.659) 1.366 6.963 ( 3.776 0.000 4.538) 5.904 7.178 ( 3.421 0.000 -1.093) 3.592 7.263 ( -4.532 0.000 -0.810) 4.604 7.421 ( -4.204 0.000 4.624) 6.249 7.595 ( -2.129 0.000 0.830) 2.285 7.766 ( 0.250 0.000 0.836) 0.873 7.850 ( 1.772 0.000 0.763) 1.930 7.918 ( 4.285 0.000 -3.499) 5.532 8.016 ( -1.873 0.000 1.847) 2.630 8.101 ( 1.905 0.000 -2.957) 3.518 8.148 ( 2.525 0.000 -1.698) 3.043 8.214 ( 3.299 0.000 2.541) 4.164 8.282 ( 3.915 0.000 -1.267) 4.115 8.567 ( 0.069 0.000 2.914) 2.914 8.678 ( -3.837 0.000 2.191) 4.418 8.766 ( -4.146 0.000 0.325) 4.159 8.886 ( 0.391 0.000 1.135) 1.201 8.942 ( 1.702 0.000 -1.776) 2.460 9.010 ( 3.266 0.000 0.499) 3.304 9.083 ( 2.721 0.000 2.240) 3.524 9.103 ( 0.555 0.000 2.388) 2.452 9.199 ( 1.985 0.000 -3.614) 4.124 9.264 ( 0.500 0.000 -0.812) 0.953 9.497 ( 1.729 0.000 2.639) 3.155 9.497 ( -2.509 0.000 3.868) 4.610 9.591 ( 0.124 0.000 -12.983) 12.984 9.612 ( -3.526 0.000 -1.531) 3.844 9.663 ( 0.244 0.000 7.533) 7.537 9.799 ( -0.020 0.000 1.645) 1.645 9.857 ( 4.237 0.000 -0.213) 4.242 9.931 ( -1.082 0.000 -0.920) 1.421 10.004 ( -3.518 0.000 -5.086) 6.184 10.055 ( 4.071 0.000 0.334) 4.084 10.075 ( -1.371 0.000 1.866) 2.316 10.267 ( -0.503 0.000 -1.658) 1.732 10.274 ( 4.013 0.000 0.681) 4.071 10.328 ( -1.111 0.000 2.214) 2.477 10.419 ( -0.110 0.000 -1.791) 1.794 10.424 ( -1.847 0.000 -3.511) 3.968 10.514 ( 1.441 0.000 1.239) 1.901 10.522 ( 2.462 0.000 3.956) 4.659 10.681 ( -1.867 0.000 -1.495) 2.392 10.772 ( -0.851 0.000 0.426) 0.952 10.868 ( 2.674 0.000 3.325) 4.267 10.893 ( -1.900 0.000 -0.392) 1.940 11.014 ( 2.858 0.000 -4.599) 5.415 11.045 ( -3.345 0.000 2.237) 4.024 11.061 ( -4.138 0.000 0.397) 4.157 11.307 ( 1.061 0.000 1.105) 1.532 11.440 ( -0.127 0.000 -5.560) 5.561 11.545 ( -0.678 0.000 0.843) 1.081 11.562 ( -0.915 0.000 0.837) 1.240 11.642 ( -0.373 0.000 6.445) 6.456 11.758 ( -0.815 0.000 -2.737) 2.856 12.020 ( 2.956 0.000 -3.248) 4.392 12.160 ( -2.492 0.000 4.312) 4.980 12.220 ( 0.195 0.000 4.109) 4.114 12.668 ( 4.793 0.000 -10.306) 11.366 12.790 ( 0.400 0.000 -7.301) 7.312 13.327 ( 2.298 0.000 3.637) 4.302 13.602 ( 3.528 0.000 -1.129) 3.704 13.848 ( 2.326 0.000 -7.258) 7.622 13.906 ( 3.340 0.000 4.098) 5.286 13.943 ( -9.370 0.000 -0.942) 9.417 14.069 ( -1.770 0.000 5.012) 5.316 14.144 ( 1.591 0.000 -2.497) 2.961 14.446 ( 2.683 0.000 -7.797) 8.245 14.635 ( -6.454 0.000 9.953) 11.862 14.701 ( -1.619 0.000 4.194) 4.495 14.856 ( 0.788 0.000 0.377) 0.873 14.953 ( 1.267 0.000 -1.933) 2.311 15.155 ( -0.110 0.000 2.772) 2.774 15.346 ( 0.272 0.000 -0.806) 0.850 16.896 ( -0.445 0.000 2.736) 2.772 17.122 ( 0.438 0.000 -1.787) 1.840 17.426 ( 1.577 0.000 0.419) 1.632 17.480 ( 1.969 0.000 -1.648) 2.567 18.121 ( 4.487 0.000 3.899) 5.945 18.134 ( 15.228 0.000 -1.198) 15.275 18.432 ( -10.290 0.000 1.533) 10.403 18.509 ( -2.874 0.000 0.871) 3.003 18.776 ( 1.834 0.000 0.990) 2.084 18.984 ( 7.938 0.000 -3.647) 8.736 19.201 ( -2.230 0.000 -0.894) 2.403 19.259 ( 2.326 0.000 -5.663) 6.122 19.274 ( -1.866 0.000 2.072) 2.788 19.422 ( 4.792 0.000 -0.399) 4.809 19.661 ( -0.347 0.000 -1.247) 1.294 19.683 ( 1.686 0.000 -0.253) 1.705 20.080 ( -9.015 0.000 -8.715) 12.539 20.231 ( -1.716 0.000 -4.228) 4.563 20.404 ( -5.675 0.000 4.750) 7.401 20.574 ( -0.139 0.000 -0.145) 0.201 20.640 ( -9.563 0.000 12.521) 15.755 20.724 ( 0.861 0.000 2.365) 2.517 20.872 ( -0.975 0.000 -0.968) 1.374 21.125 ( -3.136 0.000 -4.316) 5.335 22.389 ( 1.607 0.000 0.395) 1.655 22.429 ( 0.156 0.000 0.417) 0.445 22.452 ( 0.549 0.000 0.152) 0.569 22.481 ( 0.929 0.000 -0.685) 1.154 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.780 0.000 2.903) 7.375 1.421 ( -3.574 0.000 -5.059) 6.194 1.664 ( -17.622 0.000 7.353) 19.094 1.675 ( -15.430 0.000 4.385) 16.042 1.738 ( -4.340 0.000 -2.456) 4.987 1.987 ( 12.810 0.000 -1.161) 12.863 2.239 ( 12.651 0.000 4.412) 13.398 2.275 ( 2.150 0.000 0.009) 2.150 2.281 ( 11.830 0.000 2.016) 12.001 2.337 ( -5.082 0.000 6.347) 8.131 2.449 ( -3.247 0.000 -3.647) 4.883 2.463 ( -0.109 0.000 -0.696) 0.705 2.556 ( 6.520 0.000 0.055) 6.520 2.565 ( 4.190 0.000 -1.185) 4.355 2.618 ( -6.638 0.000 2.341) 7.039 2.660 ( 0.996 0.000 0.565) 1.145 2.720 ( 5.956 0.000 4.250) 7.317 2.746 ( 0.958 0.000 -6.948) 7.014 2.810 ( 1.988 0.000 0.919) 2.190 2.931 ( -5.514 0.000 2.394) 6.012 2.956 ( -5.873 0.000 2.565) 6.409 3.001 ( -2.293 0.000 -5.894) 6.324 3.115 ( -2.005 0.000 -2.544) 3.239 3.128 ( -4.000 0.000 6.091) 7.287 3.132 ( -4.505 0.000 2.581) 5.192 3.235 ( -6.638 0.000 0.496) 6.657 3.268 ( -0.349 0.000 -0.760) 0.836 3.338 ( -12.653 0.000 1.156) 12.705 3.388 ( -0.585 0.000 -6.710) 6.735 3.433 ( -0.250 0.000 -0.317) 0.404 3.435 ( -1.200 0.000 2.760) 3.010 3.548 ( 0.266 0.000 -3.204) 3.215 3.618 ( -1.570 0.000 1.201) 1.977 3.708 ( -5.873 0.000 5.386) 7.969 3.727 ( -0.638 0.000 -2.507) 2.587 3.815 ( -6.507 0.000 -0.547) 6.530 3.880 ( 2.329 0.000 -6.126) 6.554 3.910 ( 4.371 0.000 -6.362) 7.719 3.943 ( 0.103 0.000 -3.900) 3.902 4.024 ( 4.790 0.000 2.917) 5.609 4.030 ( 1.839 0.000 -2.725) 3.287 4.179 ( 6.936 0.000 4.239) 8.129 4.266 ( -11.698 0.000 12.368) 17.024 4.289 ( 9.836 0.000 0.975) 9.884 4.421 ( -15.542 0.000 -4.413) 16.157 4.427 ( 2.554 0.000 -1.730) 3.085 4.455 ( -2.463 0.000 -5.219) 5.771 4.547 ( 6.407 0.000 -13.789) 15.205 4.723 ( -7.629 0.000 -3.442) 8.369 4.751 ( 2.681 0.000 10.435) 10.773 4.840 ( 8.913 0.000 -5.818) 10.644 4.848 ( -1.364 0.000 2.758) 3.077 4.906 ( 17.565 0.000 9.015) 19.743 4.925 ( -1.586 0.000 -1.044) 1.898 4.967 ( 4.554 0.000 6.454) 7.899 5.079 ( 2.936 0.000 -2.466) 3.834 5.285 ( 7.190 0.000 -5.643) 9.139 5.297 ( -2.178 0.000 2.725) 3.488 5.381 ( -4.811 0.000 1.025) 4.919 5.474 ( 0.854 0.000 -1.093) 1.387 5.531 ( -4.577 0.000 -6.451) 7.910 5.548 ( -1.227 0.000 2.340) 2.642 5.693 ( 2.171 0.000 0.840) 2.328 5.757 ( -0.555 0.000 -0.214) 0.595 5.823 ( 3.524 0.000 -1.380) 3.785 5.841 ( -3.906 0.000 -2.707) 4.752 5.878 ( -2.545 0.000 1.738) 3.082 6.014 ( 2.873 0.000 3.766) 4.737 6.031 ( 5.375 0.000 3.308) 6.312 6.220 ( -1.530 0.000 0.614) 1.648 6.355 ( 4.069 0.000 2.406) 4.727 6.394 ( 3.525 0.000 -1.247) 3.740 6.532 ( -0.234 0.000 2.446) 2.458 6.596 ( -2.373 0.000 1.398) 2.754 6.682 ( 0.868 0.000 -0.251) 0.904 6.736 ( -0.439 0.000 -4.135) 4.158 6.821 ( -0.924 0.000 0.542) 1.071 6.861 ( -1.952 0.000 1.327) 2.360 6.946 ( -1.432 0.000 -2.164) 2.595 7.056 ( 2.674 0.000 2.705) 3.803 7.211 ( 0.747 0.000 1.453) 1.634 7.255 ( 3.601 0.000 0.118) 3.603 7.365 ( -5.221 0.000 5.859) 7.848 7.541 ( -3.736 0.000 -2.636) 4.572 7.798 ( 1.813 0.000 1.455) 2.325 7.860 ( -0.721 0.000 0.477) 0.864 7.963 ( 1.712 0.000 -2.404) 2.952 7.988 ( -2.621 0.000 2.789) 3.827 8.047 ( -4.428 0.000 -2.894) 5.290 8.189 ( 2.033 0.000 -0.668) 2.140 8.259 ( 0.671 0.000 1.824) 1.943 8.314 ( -0.190 0.000 -1.664) 1.675 8.601 ( 0.429 0.000 4.892) 4.911 8.684 ( 3.157 0.000 1.639) 3.557 8.742 ( 2.951 0.000 -0.342) 2.971 8.886 ( -1.373 0.000 0.696) 1.539 8.917 ( -4.354 0.000 0.513) 4.384 9.022 ( -2.194 0.000 -0.158) 2.200 9.117 ( -1.093 0.000 3.446) 3.615 9.148 ( 1.756 0.000 2.310) 2.902 9.174 ( -0.657 0.000 -3.965) 4.019 9.255 ( -1.733 0.000 0.874) 1.941 9.426 ( -4.363 0.000 -5.222) 6.805 9.526 ( -3.730 0.000 -3.760) 5.296 9.572 ( 3.903 0.000 2.117) 4.440 9.574 ( 3.702 0.000 -3.437) 5.051 9.712 ( 0.573 0.000 6.112) 6.138 9.826 ( -0.289 0.000 5.727) 5.734 9.872 ( -0.222 0.000 -4.979) 4.984 9.939 ( -0.707 0.000 0.590) 0.921 9.956 ( 2.792 0.000 0.641) 2.865 10.038 ( -3.029 0.000 1.632) 3.441 10.110 ( 2.168 0.000 -4.020) 4.567 10.270 ( -4.119 0.000 -0.652) 4.170 10.275 ( 2.356 0.000 -1.804) 2.967 10.319 ( 0.173 0.000 -1.639) 1.648 10.405 ( -1.046 0.000 -1.032) 1.469 10.432 ( 4.439 0.000 -3.949) 5.941 10.548 ( -1.777 0.000 5.187) 5.483 10.574 ( 3.618 0.000 6.730) 7.641 10.679 ( -0.113 0.000 0.482) 0.495 10.732 ( -1.954 0.000 -0.965) 2.179 10.836 ( -5.414 0.000 -0.253) 5.420 10.888 ( -0.358 0.000 0.863) 0.934 11.008 ( -1.370 0.000 1.773) 2.240 11.046 ( 4.373 0.000 -6.078) 7.488 11.092 ( 5.779 0.000 2.101) 6.149 11.327 ( 1.396 0.000 -5.379) 5.557 11.416 ( -0.490 0.000 1.853) 1.917 11.561 ( 1.418 0.000 0.159) 1.427 11.567 ( 0.929 0.000 1.567) 1.821 11.645 ( -1.830 0.000 4.189) 4.572 11.753 ( 1.875 0.000 -2.476) 3.106 12.041 ( 1.335 0.000 -3.062) 3.340 12.118 ( -4.353 0.000 3.469) 5.567 12.322 ( 5.540 0.000 7.932) 9.675 12.683 ( 3.721 0.000 -9.741) 10.427 12.750 ( 1.372 0.000 -9.490) 9.589 13.350 ( -3.176 0.000 4.676) 5.653 13.668 ( 4.054 0.000 -0.459) 4.080 13.761 ( -7.945 0.000 -3.107) 8.531 13.798 ( -3.204 0.000 -4.863) 5.824 13.995 ( 3.829 0.000 2.359) 4.497 14.083 ( 1.367 0.000 0.071) 1.369 14.170 ( 2.312 0.000 -1.498) 2.755 14.457 ( 3.712 0.000 -7.151) 8.057 14.590 ( -5.672 0.000 11.748) 13.045 14.704 ( -0.978 0.000 4.379) 4.487 14.852 ( -1.192 0.000 0.014) 1.192 14.958 ( 0.468 0.000 -1.644) 1.709 15.147 ( -2.566 0.000 2.807) 3.803 15.342 ( -0.027 0.000 -1.046) 1.046 16.929 ( 1.612 0.000 3.885) 4.206 17.142 ( 2.858 0.000 -1.586) 3.269 17.422 ( -2.231 0.000 0.164) 2.237 17.496 ( 0.808 0.000 -1.324) 1.551 18.083 ( -9.629 0.000 2.045) 9.844 18.220 ( -11.870 0.000 2.370) 12.104 18.416 ( 12.613 0.000 1.445) 12.695 18.509 ( 2.080 0.000 0.327) 2.105 18.779 ( -2.198 0.000 0.927) 2.386 19.035 ( 0.195 0.000 -1.650) 1.662 19.193 ( 1.518 0.000 -1.629) 2.227 19.265 ( -0.181 0.000 1.962) 1.970 19.277 ( 4.450 0.000 -9.717) 10.687 19.525 ( 2.706 0.000 8.509) 8.929 19.643 ( -0.591 0.000 -2.077) 2.159 19.666 ( -2.696 0.000 -0.963) 2.863 19.891 ( -4.474 0.000 -14.456) 15.133 20.175 ( 0.130 0.000 -5.956) 5.957 20.346 ( -2.747 0.000 6.690) 7.232 20.581 ( 1.093 0.000 -0.205) 1.112 20.615 ( -0.451 0.000 9.213) 9.224 20.803 ( 4.367 0.000 4.185) 6.049 20.849 ( -0.380 0.000 -2.151) 2.184 21.131 ( 6.202 0.000 -3.788) 7.267 22.404 ( -0.532 0.000 1.140) 1.258 22.434 ( -2.107 0.000 -0.725) 2.228 22.437 ( 0.162 0.000 0.700) 0.718 22.478 ( -0.621 0.000 -0.775) 0.993 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -26.817 0.000 3.616) 27.060 1.063 ( -26.835 0.000 -0.505) 26.840 1.562 ( -4.780 0.000 4.822) 6.790 1.667 ( 1.999 0.000 -10.689) 10.874 1.683 ( 4.548 0.000 8.552) 9.686 2.062 ( -29.216 0.000 0.357) 29.218 2.128 ( -8.049 0.000 -1.181) 8.135 2.178 ( -12.895 0.000 -4.746) 13.741 2.191 ( -8.295 0.000 2.924) 8.795 2.353 ( -4.160 0.000 -4.075) 5.823 2.440 ( -2.877 0.000 0.331) 2.895 2.476 ( -2.556 0.000 -1.988) 3.239 2.519 ( -0.602 0.000 2.885) 2.947 2.565 ( 11.000 0.000 -1.109) 11.056 2.628 ( -3.883 0.000 -2.380) 4.554 2.672 ( 3.431 0.000 3.874) 5.175 2.711 ( -4.435 0.000 -2.831) 5.261 2.801 ( -0.272 0.000 2.652) 2.666 2.812 ( 6.020 0.000 0.957) 6.096 2.855 ( 2.543 0.000 2.826) 3.801 2.902 ( 2.407 0.000 -4.042) 4.705 3.059 ( 5.080 0.000 3.370) 6.096 3.101 ( 1.395 0.000 -0.869) 1.644 3.128 ( 0.222 0.000 2.100) 2.112 3.138 ( -5.459 0.000 3.713) 6.602 3.201 ( 2.811 0.000 2.317) 3.643 3.242 ( -0.625 0.000 -1.081) 1.248 3.299 ( -1.002 0.000 3.807) 3.937 3.342 ( -1.785 0.000 2.905) 3.409 3.390 ( -3.273 0.000 -3.681) 4.926 3.417 ( 1.422 0.000 -5.723) 5.897 3.497 ( -0.923 0.000 -4.122) 4.224 3.554 ( -7.932 0.000 3.176) 8.544 3.616 ( -1.528 0.000 4.648) 4.893 3.719 ( -6.988 0.000 0.957) 7.054 3.776 ( -4.813 0.000 -7.875) 9.229 3.841 ( 1.418 0.000 -2.628) 2.987 3.880 ( 1.867 0.000 1.902) 2.665 3.977 ( 1.468 0.000 5.547) 5.738 4.026 ( -6.190 0.000 -4.122) 7.437 4.089 ( 5.364 0.000 -4.933) 7.287 4.122 ( 0.877 0.000 -0.972) 1.310 4.258 ( -1.494 0.000 5.932) 6.117 4.294 ( 2.559 0.000 1.661) 3.051 4.300 ( -5.643 0.000 -1.554) 5.853 4.390 ( -1.483 0.000 -3.695) 3.981 4.497 ( -5.474 0.000 -11.478) 12.717 4.542 ( 10.616 0.000 -4.427) 11.502 4.668 ( 4.972 0.000 3.497) 6.079 4.814 ( -2.120 0.000 -0.460) 2.169 4.844 ( -0.089 0.000 7.702) 7.702 4.849 ( -4.918 0.000 -2.210) 5.392 4.876 ( 0.451 0.000 -1.228) 1.309 5.043 ( -3.474 0.000 8.439) 9.126 5.193 ( 3.792 0.000 -0.517) 3.827 5.206 ( 5.607 0.000 -1.149) 5.724 5.313 ( 4.704 0.000 -5.120) 6.953 5.327 ( 0.005 0.000 3.304) 3.304 5.455 ( 9.482 0.000 -3.890) 10.249 5.462 ( -0.777 0.000 -3.699) 3.779 5.514 ( 8.813 0.000 7.218) 11.392 5.573 ( 3.361 0.000 4.144) 5.336 5.729 ( -0.043 0.000 -4.177) 4.177 5.731 ( 0.498 0.000 0.554) 0.745 5.753 ( -2.865 0.000 -4.421) 5.268 5.856 ( 2.762 0.000 -1.583) 3.184 5.890 ( 2.959 0.000 0.698) 3.040 6.094 ( -1.032 0.000 4.156) 4.283 6.096 ( 3.556 0.000 -0.026) 3.557 6.262 ( 5.544 0.000 3.964) 6.816 6.458 ( 3.373 0.000 -4.973) 6.009 6.488 ( 6.560 0.000 1.333) 6.694 6.562 ( 0.902 0.000 4.464) 4.555 6.579 ( -0.322 0.000 5.172) 5.182 6.644 ( -3.300 0.000 -2.276) 4.009 6.681 ( -0.486 0.000 -6.054) 6.074 6.847 ( -2.456 0.000 2.453) 3.471 6.847 ( 1.766 0.000 5.217) 5.508 6.913 ( 0.542 0.000 -1.371) 1.475 7.070 ( -0.621 0.000 -2.086) 2.176 7.207 ( -4.867 0.000 5.490) 7.337 7.345 ( 3.937 0.000 0.382) 3.955 7.354 ( 0.091 0.000 8.333) 8.334 7.408 ( -6.593 0.000 -6.662) 9.373 7.820 ( -1.034 0.000 -0.293) 1.075 7.836 ( -3.550 0.000 -0.908) 3.665 7.933 ( -3.253 0.000 0.658) 3.319 7.939 ( -2.577 0.000 -1.559) 3.012 7.956 ( -1.938 0.000 -0.170) 1.946 8.192 ( -3.181 0.000 -0.766) 3.272 8.298 ( 2.017 0.000 -1.431) 2.473 8.298 ( 3.133 0.000 0.879) 3.254 8.628 ( -0.658 0.000 5.517) 5.556 8.761 ( 3.954 0.000 -2.648) 4.759 8.799 ( -8.278 0.000 2.202) 8.565 8.859 ( -2.491 0.000 2.494) 3.525 8.871 ( 8.420 0.000 -0.898) 8.468 8.943 ( -4.788 0.000 -0.589) 4.824 9.084 ( -4.673 0.000 1.048) 4.789 9.122 ( -4.621 0.000 -2.854) 5.432 9.200 ( 3.394 0.000 4.088) 5.313 9.226 ( 0.220 0.000 0.932) 0.957 9.345 ( 0.149 0.000 -6.242) 6.244 9.448 ( -1.206 0.000 -4.390) 4.552 9.621 ( 0.047 0.000 0.769) 0.771 9.630 ( 2.902 0.000 0.868) 3.029 9.763 ( -0.473 0.000 5.587) 5.607 9.834 ( -1.136 0.000 -4.383) 4.528 9.835 ( -0.789 0.000 1.762) 1.931 9.978 ( 0.529 0.000 6.837) 6.857 9.985 ( -0.195 0.000 -0.309) 0.365 9.994 ( -2.421 0.000 2.659) 3.596 10.079 ( -1.902 0.000 -5.254) 5.588 10.185 ( -1.512 0.000 -3.560) 3.868 10.303 ( 0.029 0.000 0.081) 0.086 10.357 ( 4.036 0.000 -2.328) 4.659 10.373 ( 0.546 0.000 -1.584) 1.675 10.489 ( 3.628 0.000 -1.879) 4.086 10.575 ( 1.359 0.000 5.843) 5.999 10.635 ( -3.417 0.000 -1.622) 3.782 10.696 ( 3.218 0.000 6.357) 7.125 10.711 ( -1.245 0.000 1.088) 1.654 10.736 ( -3.722 0.000 0.211) 3.728 10.891 ( -0.243 0.000 -0.088) 0.259 11.017 ( 1.171 0.000 0.049) 1.172 11.093 ( 4.601 0.000 -6.817) 8.224 11.225 ( 6.936 0.000 1.494) 7.095 11.280 ( 0.358 0.000 -11.916) 11.921 11.445 ( -0.830 0.000 7.406) 7.452 11.564 ( -0.008 0.000 -2.636) 2.636 11.626 ( 3.210 0.000 1.900) 3.730 11.659 ( 1.501 0.000 1.538) 2.149 11.786 ( 3.085 0.000 -2.082) 3.722 12.016 ( -4.690 0.000 4.892) 6.777 12.077 ( 0.388 0.000 -3.950) 3.969 12.477 ( 4.697 0.000 8.428) 9.648 12.677 ( 2.662 0.000 -10.381) 10.717 12.726 ( 3.040 0.000 -10.542) 10.971 13.245 ( -11.336 0.000 5.377) 12.547 13.653 ( -3.947 0.000 -10.035) 10.784 13.669 ( 0.299 0.000 -2.812) 2.828 13.770 ( 1.981 0.000 4.474) 4.893 14.066 ( -1.505 0.000 -8.618) 8.748 14.071 ( 3.326 0.000 1.163) 3.523 14.223 ( 3.370 0.000 2.255) 4.055 14.483 ( 3.710 0.000 -7.092) 8.004 14.599 ( -2.492 0.000 16.076) 16.268 14.721 ( -0.452 0.000 5.006) 5.026 14.827 ( -1.107 0.000 1.354) 1.749 14.947 ( -0.457 0.000 -1.790) 1.848 15.108 ( -3.789 0.000 4.564) 5.931 15.332 ( -0.166 0.000 -1.369) 1.380 17.000 ( 3.227 0.000 3.918) 5.075 17.195 ( 3.998 0.000 -2.931) 4.958 17.351 ( -5.369 0.000 0.102) 5.370 17.488 ( -0.448 0.000 -3.003) 3.036 17.883 ( -11.490 0.000 1.240) 11.557 18.021 ( -11.121 0.000 2.770) 11.461 18.550 ( 1.655 0.000 0.412) 1.705 18.589 ( 2.978 0.000 2.130) 3.662 18.737 ( -0.371 0.000 -0.740) 0.828 18.998 ( -2.686 0.000 -3.548) 4.450 19.201 ( 0.649 0.000 -1.533) 1.664 19.271 ( 2.238 0.000 -13.475) 13.659 19.281 ( -0.136 0.000 -1.029) 1.038 19.602 ( -1.774 0.000 12.290) 12.418 19.621 ( -0.495 0.000 0.443) 0.664 19.653 ( 3.699 0.000 0.769) 3.778 19.684 ( -8.566 0.000 -10.595) 13.625 20.196 ( 5.723 0.000 -3.198) 6.556 20.432 ( 6.147 0.000 7.646) 9.811 20.613 ( 2.264 0.000 0.535) 2.326 20.712 ( 4.309 0.000 8.327) 9.376 20.829 ( -0.172 0.000 -3.037) 3.042 20.913 ( 4.562 0.000 3.069) 5.499 21.259 ( 9.044 0.000 -3.491) 9.694 22.374 ( -3.537 0.000 -0.936) 3.659 22.392 ( -1.529 0.000 1.456) 2.111 22.434 ( -0.934 0.000 0.354) 0.999 22.455 ( -1.183 0.000 -0.679) 1.364 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -26.487 0.000 5.732) 27.100 0.629 ( -23.324 0.000 16.563) 28.607 1.186 ( -45.416 0.000 23.570) 51.168 1.655 ( 5.088 0.000 -13.448) 14.378 1.678 ( -0.046 0.000 -1.026) 1.027 1.872 ( 4.764 0.000 -9.126) 10.295 1.894 ( -7.069 0.000 5.976) 9.256 1.950 ( -6.459 0.000 -3.215) 7.215 2.152 ( -10.042 0.000 -6.340) 11.876 2.248 ( 1.158 0.000 2.862) 3.087 2.275 ( -9.647 0.000 0.492) 9.659 2.463 ( 1.318 0.000 -7.400) 7.517 2.488 ( -3.278 0.000 -6.141) 6.961 2.547 ( -4.112 0.000 -0.783) 4.186 2.630 ( 0.081 0.000 0.157) 0.176 2.698 ( 2.859 0.000 1.328) 3.152 2.701 ( -3.421 0.000 0.408) 3.446 2.820 ( -0.167 0.000 2.741) 2.746 2.878 ( 1.774 0.000 -2.594) 3.143 2.903 ( -0.026 0.000 -4.588) 4.588 2.937 ( -0.129 0.000 -0.152) 0.199 3.034 ( -3.877 0.000 0.378) 3.895 3.107 ( 1.818 0.000 3.547) 3.986 3.123 ( -2.331 0.000 0.183) 2.338 3.134 ( -0.604 0.000 -2.132) 2.216 3.230 ( -2.368 0.000 0.176) 2.374 3.241 ( 2.529 0.000 1.384) 2.883 3.314 ( 0.142 0.000 2.775) 2.779 3.323 ( 0.197 0.000 4.363) 4.367 3.346 ( -6.091 0.000 -1.105) 6.190 3.424 ( 4.458 0.000 -5.425) 7.022 3.466 ( 1.478 0.000 2.019) 2.502 3.501 ( -1.107 0.000 6.275) 6.372 3.554 ( -2.904 0.000 -0.415) 2.933 3.672 ( 1.886 0.000 10.103) 10.277 3.709 ( 0.272 0.000 -3.600) 3.611 3.829 ( -0.290 0.000 -8.320) 8.325 3.911 ( 0.339 0.000 0.084) 0.349 3.955 ( 0.903 0.000 -8.919) 8.965 4.041 ( -3.003 0.000 4.274) 5.224 4.094 ( -4.916 0.000 -8.685) 9.980 4.144 ( 6.022 0.000 -1.964) 6.334 4.219 ( -3.408 0.000 -7.484) 8.223 4.232 ( -1.781 0.000 5.427) 5.712 4.376 ( 4.929 0.000 -1.749) 5.230 4.385 ( 2.915 0.000 8.326) 8.822 4.396 ( 0.090 0.000 -0.193) 0.213 4.647 ( 1.850 0.000 -5.071) 5.398 4.657 ( -5.711 0.000 -4.060) 7.007 4.764 ( -1.042 0.000 -2.663) 2.860 4.801 ( -1.900 0.000 -0.517) 1.969 4.878 ( 1.301 0.000 4.907) 5.076 4.990 ( -2.794 0.000 2.309) 3.624 5.003 ( 11.204 0.000 8.636) 14.146 5.192 ( 0.297 0.000 0.005) 0.297 5.283 ( -5.638 0.000 -3.478) 6.625 5.288 ( 4.239 0.000 -3.949) 5.794 5.394 ( 3.128 0.000 10.612) 11.064 5.437 ( 0.157 0.000 -1.122) 1.133 5.473 ( -3.371 0.000 1.451) 3.670 5.624 ( 1.109 0.000 -1.254) 1.674 5.665 ( -2.040 0.000 2.467) 3.201 5.715 ( 2.518 0.000 -2.738) 3.720 5.780 ( 10.702 0.000 -4.856) 11.752 5.890 ( 12.448 0.000 6.285) 13.945 5.915 ( 2.301 0.000 2.172) 3.164 5.973 ( 5.900 0.000 -0.866) 5.963 6.093 ( -2.018 0.000 3.865) 4.360 6.121 ( 0.521 0.000 -4.547) 4.577 6.372 ( 1.919 0.000 -5.507) 5.832 6.474 ( 2.770 0.000 4.818) 5.558 6.516 ( -1.485 0.000 -3.573) 3.869 6.599 ( -1.002 0.000 4.496) 4.607 6.609 ( 0.581 0.000 -0.413) 0.713 6.615 ( 0.618 0.000 0.336) 0.703 6.691 ( 2.962 0.000 1.295) 3.233 6.795 ( -1.033 0.000 -3.114) 3.281 6.906 ( -1.707 0.000 8.497) 8.667 6.991 ( 6.375 0.000 5.484) 8.409 7.063 ( 0.168 0.000 4.353) 4.356 7.143 ( -3.619 0.000 1.030) 3.762 7.194 ( -8.140 0.000 -6.119) 10.184 7.421 ( 0.754 0.000 0.559) 0.939 7.422 ( 1.336 0.000 5.578) 5.736 7.730 ( -7.389 0.000 3.120) 8.021 7.749 ( -1.838 0.000 -1.777) 2.556 7.899 ( -1.247 0.000 -0.448) 1.325 7.938 ( 1.255 0.000 -2.997) 3.249 7.945 ( 0.972 0.000 -3.254) 3.396 8.061 ( -9.365 0.000 -3.374) 9.954 8.356 ( 3.888 0.000 -2.215) 4.474 8.367 ( 4.351 0.000 -2.308) 4.925 8.625 ( -9.963 0.000 1.075) 10.021 8.680 ( 1.753 0.000 5.989) 6.240 8.764 ( -0.713 0.000 -1.580) 1.734 8.777 ( -7.160 0.000 -3.124) 7.812 8.883 ( -9.293 0.000 -1.137) 9.363 8.928 ( 3.573 0.000 1.644) 3.933 9.041 ( -0.442 0.000 2.168) 2.212 9.062 ( 5.234 0.000 -0.200) 5.237 9.267 ( 2.321 0.000 0.784) 2.450 9.348 ( 4.961 0.000 -5.339) 7.288 9.362 ( 10.353 0.000 3.994) 11.096 9.422 ( -0.100 0.000 -1.451) 1.454 9.600 ( -2.297 0.000 -2.181) 3.167 9.688 ( 0.188 0.000 4.880) 4.884 9.705 ( -6.759 0.000 2.431) 7.183 9.767 ( -1.451 0.000 -4.691) 4.910 9.864 ( 0.978 0.000 3.905) 4.026 9.961 ( -1.923 0.000 3.029) 3.588 9.971 ( -4.320 0.000 0.620) 4.364 9.988 ( -0.567 0.000 -0.970) 1.123 10.021 ( -1.435 0.000 0.082) 1.438 10.184 ( 2.735 0.000 -2.033) 3.408 10.283 ( -0.448 0.000 -3.153) 3.184 10.394 ( -0.014 0.000 -1.948) 1.948 10.409 ( 2.967 0.000 -1.448) 3.301 10.479 ( -3.698 0.000 -11.664) 12.237 10.599 ( 1.779 0.000 0.633) 1.888 10.633 ( -1.207 0.000 5.535) 5.666 10.686 ( -2.073 0.000 6.494) 6.817 10.715 ( -5.835 0.000 -6.541) 8.765 10.749 ( 4.065 0.000 0.136) 4.067 10.866 ( -2.281 0.000 -0.257) 2.295 10.977 ( -5.954 0.000 -9.798) 11.465 11.096 ( 0.532 0.000 -4.627) 4.658 11.217 ( 0.888 0.000 -6.577) 6.637 11.354 ( 6.038 0.000 -0.640) 6.072 11.459 ( -2.200 0.000 5.767) 6.172 11.526 ( -1.493 0.000 -2.566) 2.969 11.689 ( 2.620 0.000 0.130) 2.624 11.693 ( 1.652 0.000 -1.957) 2.561 11.837 ( 3.052 0.000 0.347) 3.072 11.959 ( -5.625 0.000 7.722) 9.553 12.069 ( 2.183 0.000 -6.325) 6.691 12.554 ( -0.744 0.000 -1.077) 1.309 12.668 ( 3.510 0.000 -6.587) 7.464 12.725 ( 3.754 0.000 -9.477) 10.194 13.074 ( -9.325 0.000 5.764) 10.962 13.435 ( -13.114 0.000 -16.362) 20.969 13.702 ( 3.252 0.000 -0.130) 3.255 13.812 ( -1.294 0.000 3.558) 3.786 13.946 ( -4.480 0.000 -3.044) 5.416 14.134 ( 2.667 0.000 1.325) 2.978 14.299 ( 2.712 0.000 1.626) 3.162 14.494 ( 2.471 0.000 -7.368) 7.771 14.670 ( -0.526 0.000 8.086) 8.103 14.746 ( -0.694 0.000 5.081) 5.128 14.899 ( 7.166 0.000 3.603) 8.021 14.925 ( -0.333 0.000 -2.052) 2.079 15.114 ( 1.626 0.000 12.932) 13.034 15.324 ( 0.351 0.000 -1.365) 1.409 17.084 ( 2.729 0.000 3.593) 4.512 17.221 ( 1.279 0.000 -7.761) 7.866 17.242 ( -5.638 0.000 -0.736) 5.686 17.433 ( -2.728 0.000 -7.484) 7.966 17.677 ( -12.555 0.000 -5.072) 13.541 17.857 ( -7.793 0.000 0.441) 7.805 18.564 ( -3.479 0.000 0.629) 3.536 18.575 ( 0.718 0.000 0.819) 1.089 18.769 ( 2.263 0.000 -1.762) 2.868 18.776 ( -16.123 0.000 -21.158) 26.601 19.195 ( -1.957 0.000 -2.555) 3.219 19.213 ( 1.181 0.000 0.345) 1.231 19.245 ( -1.316 0.000 -1.376) 1.904 19.485 ( -4.924 0.000 -1.834) 5.254 19.647 ( 1.562 0.000 0.765) 1.739 19.660 ( 3.622 0.000 -2.413) 4.352 19.933 ( 18.569 0.000 33.623) 38.410 20.323 ( 7.880 0.000 -0.290) 7.885 20.597 ( 5.790 0.000 4.589) 7.388 20.663 ( 1.738 0.000 1.999) 2.649 20.799 ( -0.546 0.000 -3.432) 3.476 20.883 ( 8.743 0.000 9.739) 13.088 21.004 ( 4.005 0.000 6.618) 7.735 21.385 ( 6.297 0.000 -2.528) 6.786 22.310 ( -2.465 0.000 -0.430) 2.502 22.372 ( -1.357 0.000 0.689) 1.522 22.410 ( -1.480 0.000 -0.127) 1.486 22.430 ( -1.377 0.000 -1.351) 1.929 ======================= Grid point 42 (20/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.479 16.385 12.948) 20.889 0.698 ( -1.614 18.965 16.719) 25.334 1.392 ( 0.257 45.424 24.836) 51.771 1.549 ( -6.867 -4.394 -12.324) 14.777 1.600 ( 2.270 -7.405 -8.157) 11.249 1.795 ( 5.079 -0.580 -7.467) 9.050 1.911 ( 0.326 2.657 -3.663) 4.537 1.991 ( 1.095 2.542 -1.930) 3.374 2.004 ( 0.222 -2.052 2.180) 3.002 2.091 ( -1.065 -5.056 0.886) 5.242 2.291 ( -2.753 -2.614 0.072) 3.797 2.324 ( 3.473 2.676 2.105) 4.863 2.442 ( -0.287 -3.595 -2.507) 4.392 2.489 ( -2.708 -1.994 -0.351) 3.381 2.598 ( -0.129 -2.099 0.933) 2.301 2.661 ( 2.919 0.155 3.044) 4.220 2.767 ( 3.297 2.368 -0.701) 4.120 2.817 ( -2.047 2.325 -3.772) 4.881 2.842 ( -1.929 4.293 -2.930) 5.544 2.901 ( -0.874 3.532 -3.803) 5.264 2.940 ( -3.336 3.877 -2.438) 5.665 3.011 ( -0.267 0.245 -0.735) 0.819 3.084 ( 0.401 0.398 0.018) 0.565 3.128 ( -4.003 -1.444 -1.873) 4.649 3.163 ( -0.657 -0.864 0.908) 1.415 3.229 ( 3.315 3.193 -1.247) 4.768 3.291 ( 3.200 1.420 2.135) 4.101 3.309 ( 0.088 1.375 1.794) 2.262 3.331 ( 1.400 -1.191 0.691) 1.964 3.424 ( 1.857 0.049 -1.219) 2.222 3.458 ( 1.466 -0.249 3.016) 3.363 3.492 ( -6.807 -4.078 1.197) 8.025 3.523 ( -0.448 1.106 4.904) 5.047 3.607 ( -1.420 1.062 0.060) 1.774 3.644 ( 6.551 3.804 2.060) 7.851 3.695 ( -2.014 4.724 -1.088) 5.249 3.784 ( -2.831 0.976 0.913) 3.130 3.867 ( 1.052 -8.079 -0.952) 8.203 3.931 ( 1.470 1.871 -4.523) 5.111 3.948 ( -4.026 -1.584 -1.537) 4.591 3.954 ( 3.452 -4.633 -0.503) 5.800 4.137 ( 2.605 -11.073 1.351) 11.455 4.155 ( -1.560 -0.609 -1.643) 2.346 4.270 ( -0.880 -4.560 4.827) 6.699 4.330 ( 0.126 -4.703 -3.018) 5.590 4.425 ( 1.018 0.487 1.625) 1.979 4.458 ( 0.866 -0.625 1.240) 1.636 4.512 ( 3.336 3.798 6.219) 8.014 4.619 ( -1.675 -0.415 -6.883) 7.096 4.683 ( 2.049 -9.309 0.960) 9.580 4.764 ( -1.598 0.362 -0.774) 1.812 4.824 ( 0.039 -7.608 -1.614) 7.778 5.030 ( 2.904 3.456 -1.165) 4.662 5.073 ( -7.166 0.104 0.334) 7.174 5.204 ( -0.980 -2.315 0.440) 2.552 5.232 ( 0.661 -4.915 1.752) 5.260 5.263 ( 1.829 -2.218 -5.485) 6.193 5.394 ( 1.472 -2.975 2.855) 4.378 5.430 ( 3.250 -1.162 2.047) 4.013 5.557 ( -1.724 -4.622 -3.450) 6.020 5.585 ( 0.113 -1.328 1.167) 1.771 5.697 ( -1.513 -2.439 -0.029) 2.870 5.755 ( 3.125 9.129 3.400) 10.230 5.903 ( 0.544 -0.137 -0.016) 0.561 5.977 ( -0.477 1.760 2.287) 2.925 6.004 ( -2.749 -0.208 0.454) 2.794 6.065 ( 0.653 2.513 -0.602) 2.665 6.131 ( 0.301 -0.670 -2.840) 2.934 6.266 ( 2.034 7.937 -8.396) 11.731 6.322 ( -2.448 6.345 -6.858) 9.658 6.502 ( -0.977 1.877 -1.506) 2.597 6.520 ( -0.782 0.113 -6.160) 6.210 6.582 ( -3.953 -1.460 -0.346) 4.228 6.603 ( 3.147 0.128 -0.162) 3.154 6.654 ( 2.096 0.575 -0.142) 2.178 6.714 ( -1.570 -4.996 -0.329) 5.247 6.874 ( 0.564 0.366 4.535) 4.584 6.917 ( -1.455 1.582 5.357) 5.772 7.032 ( -3.178 1.298 6.369) 7.236 7.077 ( -6.191 2.932 5.108) 8.545 7.162 ( 6.450 0.326 2.516) 6.931 7.181 ( -3.807 0.427 6.760) 7.770 7.450 ( 5.738 3.348 1.120) 6.737 7.531 ( 3.122 5.233 -0.813) 6.148 7.624 ( -0.196 -2.154 -0.508) 2.222 7.732 ( -1.696 2.812 5.058) 6.030 7.766 ( -0.425 -2.344 1.352) 2.739 7.868 ( 0.341 -2.594 -5.385) 5.987 7.999 ( 0.680 3.480 -0.631) 3.601 8.081 ( -2.605 7.991 -2.613) 8.801 8.365 ( -3.343 -0.823 -5.256) 6.283 8.470 ( -0.889 3.427 0.234) 3.548 8.520 ( 1.173 -0.476 -1.606) 2.045 8.575 ( -0.316 -2.115 -4.664) 5.131 8.690 ( 1.847 -1.890 1.348) 2.967 8.721 ( -0.808 -3.401 0.576) 3.542 8.838 ( 0.864 2.395 -0.879) 2.694 9.022 ( 0.434 -0.197 2.961) 2.999 9.064 ( 8.222 -2.306 -3.761) 9.331 9.155 ( -4.372 -2.363 -1.858) 5.305 9.270 ( -11.535 -0.664 6.907) 13.461 9.394 ( 4.911 1.394 1.933) 5.458 9.428 ( -4.102 0.082 0.040) 4.103 9.461 ( 2.893 -1.680 1.956) 3.875 9.517 ( 2.704 0.993 0.861) 3.006 9.617 ( -7.023 -2.947 2.609) 8.051 9.678 ( 0.876 2.649 1.567) 3.200 9.766 ( 3.205 5.118 1.070) 6.132 9.798 ( -0.247 -1.170 -0.686) 1.378 9.874 ( 1.188 2.672 2.324) 3.735 9.905 ( -2.792 -1.374 0.942) 3.251 9.995 ( 2.172 0.574 -3.134) 3.856 10.012 ( -1.896 1.995 -1.276) 3.034 10.180 ( 1.940 -3.633 -1.018) 4.242 10.260 ( 0.813 -0.908 -4.161) 4.336 10.326 ( 0.933 -4.003 -4.046) 5.768 10.346 ( 0.273 0.609 0.163) 0.687 10.391 ( -1.461 -4.922 -5.098) 7.235 10.553 ( -0.139 -3.024 -0.461) 3.062 10.637 ( 2.081 1.591 5.587) 6.170 10.675 ( -0.158 -3.282 0.984) 3.430 10.701 ( -3.247 2.606 -0.762) 4.233 10.817 ( 3.441 1.902 -1.238) 4.122 10.879 ( 2.644 1.360 -0.100) 2.975 10.956 ( -2.452 5.829 -1.850) 6.589 11.119 ( 3.647 2.844 -1.395) 4.830 11.205 ( 0.143 1.276 0.747) 1.485 11.348 ( -3.337 0.424 -3.482) 4.842 11.446 ( 0.254 0.282 2.808) 2.833 11.559 ( 0.538 -2.173 3.769) 4.384 11.644 ( 3.440 -3.597 1.423) 5.176 11.771 ( -4.051 -1.387 -0.167) 4.286 11.826 ( -3.987 -0.426 2.499) 4.725 11.897 ( 1.709 4.667 0.191) 4.973 12.025 ( 3.203 -5.259 -3.946) 7.314 12.410 ( -1.012 -6.177 -10.747) 12.437 12.645 ( -1.829 -0.199 -2.305) 2.949 12.726 ( 3.156 2.011 -6.400) 7.414 13.043 ( -1.179 4.029 6.968) 8.135 13.372 ( 3.640 4.139 -6.223) 8.312 13.736 ( 2.257 -1.908 1.650) 3.384 13.766 ( -1.538 -2.942 6.070) 6.919 13.911 ( 0.324 0.439 -0.010) 0.546 14.252 ( 1.087 -0.898 -1.267) 1.896 14.269 ( -2.768 1.039 0.848) 3.076 14.449 ( 2.117 -1.311 0.919) 2.654 14.658 ( -1.333 -2.852 9.522) 10.029 14.762 ( -0.177 2.083 0.954) 2.298 14.870 ( -1.281 -1.096 -0.470) 1.750 14.934 ( -3.232 -5.827 5.418) 8.588 15.099 ( -1.533 3.056 4.077) 5.320 15.321 ( 1.162 -1.558 -0.610) 2.037 17.157 ( 4.126 3.542 -0.856) 5.504 17.211 ( -1.089 2.908 -1.738) 3.558 17.324 ( -0.468 3.772 -1.144) 3.969 17.405 ( -0.873 4.235 -5.690) 7.147 17.589 ( -0.748 8.238 2.485) 8.637 18.019 ( -3.602 21.613 -21.352) 30.594 18.496 ( -0.903 -1.340 0.509) 1.694 18.518 ( -1.212 -1.420 -0.110) 1.871 18.589 ( 0.028 0.243 1.496) 1.515 18.833 ( 1.365 2.340 -1.552) 3.123 18.957 ( 0.215 -11.333 -3.436) 11.844 19.248 ( 1.137 1.413 -1.937) 2.653 19.348 ( 1.025 2.169 0.810) 2.533 19.436 ( -0.739 0.052 -2.490) 2.598 19.641 ( 0.593 -1.487 -0.644) 1.725 19.683 ( 0.316 -1.555 -1.989) 2.544 20.290 ( 1.728 -5.905 5.623) 8.336 20.424 ( 7.568 -12.537 9.556) 17.486 20.591 ( 1.555 0.316 0.011) 1.587 20.650 ( -1.280 -1.664 0.596) 2.182 20.884 ( -1.975 2.824 -0.115) 3.448 20.931 ( -1.439 3.698 -1.338) 4.188 21.105 ( -1.906 -2.737 11.853) 12.314 21.500 ( 1.776 -3.039 -5.211) 6.288 22.301 ( 0.790 0.557 0.644) 1.162 22.347 ( -1.006 -0.553 0.044) 1.148 22.355 ( -0.642 0.138 0.010) 0.657 22.389 ( -0.029 -0.513 -0.274) 0.582 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 13.404 13.317 7.304) 20.257 1.055 ( 18.528 10.155 17.511) 27.442 1.355 ( -3.287 0.140 -12.686) 13.106 1.596 ( 0.631 -4.657 -3.641) 5.945 1.727 ( 16.674 19.052 10.497) 27.407 1.866 ( 10.139 -0.201 -10.980) 14.947 1.977 ( 7.506 6.151 -8.473) 12.883 2.036 ( 4.919 -2.668 -1.803) 5.879 2.086 ( 0.653 4.362 4.786) 6.508 2.109 ( 5.998 1.515 9.927) 11.697 2.287 ( 6.013 -6.600 -6.109) 10.819 2.403 ( 0.188 -2.870 -5.197) 5.940 2.465 ( 1.330 2.678 1.507) 3.348 2.497 ( 5.289 -4.407 4.890) 8.445 2.578 ( -3.808 1.457 -2.118) 4.594 2.701 ( 0.868 0.804 1.632) 2.015 2.731 ( -4.160 3.112 -3.579) 6.309 2.765 ( -3.506 2.795 -1.676) 4.787 2.814 ( 1.847 1.231 3.118) 3.828 2.847 ( 0.520 4.305 -1.604) 4.623 2.906 ( -0.831 2.157 0.601) 2.389 3.015 ( -3.226 -2.785 -2.271) 4.829 3.091 ( 1.558 -1.166 1.877) 2.703 3.153 ( 6.584 0.690 0.224) 6.624 3.187 ( -2.919 -1.467 -4.653) 5.685 3.223 ( 2.383 -2.501 -0.423) 3.480 3.301 ( -5.229 -4.217 1.820) 6.959 3.324 ( 1.684 2.925 1.717) 3.786 3.363 ( 4.789 3.718 2.855) 6.702 3.380 ( 1.451 5.545 -1.132) 5.842 3.465 ( -3.657 1.228 2.541) 4.619 3.512 ( 1.296 -0.049 2.071) 2.443 3.541 ( 4.776 3.827 -1.833) 6.389 3.639 ( -6.030 4.265 -0.838) 7.434 3.646 ( 2.823 -1.162 0.852) 3.169 3.699 ( -0.284 -2.169 1.738) 2.794 3.788 ( 6.989 0.248 -1.607) 7.176 3.843 ( 1.540 4.115 -9.828) 10.765 3.972 ( 2.403 -1.508 -0.743) 2.933 3.984 ( 5.511 -3.086 5.589) 8.434 4.049 ( 4.084 -0.420 -1.507) 4.373 4.093 ( -1.093 3.213 -2.730) 4.355 4.232 ( 3.220 -12.028 4.750) 13.326 4.261 ( -1.980 -4.588 2.461) 5.570 4.310 ( -1.098 -2.206 -0.109) 2.467 4.441 ( 1.441 -1.103 -0.078) 1.816 4.442 ( -1.278 0.071 -0.319) 1.319 4.551 ( -0.937 1.870 -4.923) 5.349 4.596 ( 0.331 2.091 0.371) 2.150 4.741 ( 0.654 -2.023 -2.202) 3.062 4.757 ( 1.584 -10.823 -1.085) 10.992 4.834 ( 2.271 -9.456 2.414) 10.020 5.004 ( 0.501 5.798 5.381) 7.926 5.047 ( 0.824 2.240 -3.117) 3.926 5.105 ( -8.088 -0.360 2.068) 8.356 5.238 ( 0.111 -3.385 -8.623) 9.264 5.302 ( 3.677 -9.398 -3.178) 10.580 5.393 ( -4.678 -3.077 0.929) 5.676 5.444 ( -3.045 -5.904 2.112) 6.971 5.487 ( -1.180 -0.967 -4.343) 4.603 5.563 ( -5.216 -2.285 0.457) 5.713 5.642 ( -1.866 -0.273 -0.695) 2.009 5.839 ( 1.102 9.863 5.834) 11.512 5.857 ( -3.684 -1.878 -1.673) 4.461 5.913 ( -6.360 -2.324 3.465) 7.606 5.950 ( -3.003 2.037 2.777) 4.569 6.031 ( -4.744 3.076 -3.972) 6.910 6.093 ( -2.032 4.815 -1.327) 5.393 6.204 ( -4.205 5.937 -0.652) 7.305 6.234 ( -2.952 8.089 -2.589) 8.992 6.426 ( -1.692 -0.929 -0.016) 1.930 6.464 ( -3.407 0.386 -0.112) 3.431 6.551 ( -0.418 -2.788 -2.128) 3.532 6.649 ( -0.066 -1.789 -3.996) 4.379 6.659 ( 2.221 -2.533 -0.173) 3.373 6.733 ( 1.929 2.400 1.440) 3.400 6.779 ( -4.246 -0.856 2.438) 4.970 6.924 ( -6.502 -3.234 3.543) 8.080 7.010 ( -2.513 8.508 5.715) 10.553 7.048 ( 0.188 4.188 5.607) 7.001 7.130 ( -1.994 6.242 2.287) 6.941 7.340 ( 5.434 -2.992 3.039) 6.908 7.519 ( -2.498 3.339 3.561) 5.484 7.552 ( 0.726 -1.821 4.717) 5.109 7.690 ( 5.829 -2.025 -3.276) 6.986 7.769 ( 1.025 -2.322 -4.112) 4.832 7.822 ( 2.872 1.339 -0.307) 3.183 7.913 ( 8.672 -0.403 0.694) 8.709 7.995 ( -0.067 1.837 0.081) 1.840 8.051 ( 1.927 2.975 -1.662) 3.915 8.216 ( -5.359 3.147 -4.800) 7.852 8.338 ( -5.086 1.184 -2.520) 5.798 8.571 ( 1.982 6.097 -2.840) 7.011 8.703 ( 8.020 -3.602 -1.351) 8.895 8.735 ( 4.290 0.919 2.296) 4.952 8.809 ( 4.204 -1.653 2.814) 5.322 8.877 ( 4.226 -3.463 -1.025) 5.558 8.985 ( -6.407 -1.302 0.402) 6.551 9.011 ( -2.404 -1.182 0.403) 2.709 9.114 ( -2.724 3.043 -0.802) 4.162 9.189 ( -0.984 2.292 0.550) 2.554 9.337 ( -4.004 4.088 1.884) 6.024 9.445 ( 1.981 1.216 0.328) 2.348 9.495 ( 0.475 -0.012 -4.579) 4.604 9.568 ( 2.793 -2.375 3.216) 4.877 9.596 ( -1.519 -1.779 4.893) 5.423 9.724 ( 0.599 2.074 2.333) 3.178 9.759 ( 0.243 -1.000 -5.367) 5.465 9.854 ( -1.533 -1.430 0.159) 2.103 9.909 ( 4.379 -0.002 1.619) 4.669 9.923 ( 3.351 5.679 -3.140) 7.303 10.009 ( 0.805 1.675 -0.215) 1.871 10.076 ( 7.146 -2.991 5.607) 9.563 10.192 ( 0.452 -3.595 -1.055) 3.774 10.236 ( -0.828 -2.448 -3.818) 4.611 10.308 ( 1.254 0.236 -5.117) 5.274 10.326 ( 1.013 -4.751 -2.633) 5.526 10.396 ( -1.986 -5.937 2.046) 6.586 10.529 ( -1.091 -2.449 -4.425) 5.174 10.609 ( -3.964 1.269 -3.639) 5.528 10.692 ( 1.892 -3.496 0.278) 3.985 10.725 ( -0.135 -2.446 9.702) 10.006 10.832 ( -1.747 0.636 1.099) 2.159 10.936 ( 1.021 -0.526 1.323) 1.752 10.966 ( 6.574 5.560 -7.413) 11.361 11.158 ( -1.710 7.212 -0.354) 7.420 11.215 ( 3.270 -2.203 -2.561) 4.702 11.262 ( -3.675 1.405 0.058) 3.935 11.478 ( 0.738 -0.027 4.045) 4.112 11.584 ( -0.233 -2.094 2.038) 2.932 11.598 ( -4.876 -2.258 -3.518) 6.423 11.730 ( -3.571 3.775 -3.108) 6.055 11.819 ( 2.279 -7.845 4.810) 9.480 11.910 ( 0.509 6.179 0.264) 6.206 12.072 ( 3.089 -4.134 -1.427) 5.355 12.363 ( 0.960 -1.808 -6.987) 7.281 12.573 ( -1.269 -2.963 -7.295) 7.975 12.786 ( 5.985 0.007 -4.924) 7.750 13.091 ( 1.302 2.023 7.114) 7.510 13.431 ( 6.093 -1.927 -6.043) 8.795 13.730 ( -3.084 -4.419 2.253) 5.841 13.803 ( 0.940 -2.530 4.644) 5.371 13.950 ( 2.902 -1.102 -0.793) 3.203 14.182 ( -3.718 -4.000 -2.251) 5.907 14.283 ( -0.497 6.309 3.253) 7.116 14.473 ( 0.776 0.840 -1.644) 2.003 14.689 ( -1.642 -2.004 7.812) 8.231 14.780 ( 0.744 0.851 0.520) 1.244 14.809 ( -4.231 0.986 3.332) 5.476 14.922 ( -0.538 -1.996 2.586) 3.311 15.114 ( 0.836 4.093 2.485) 4.860 15.336 ( 0.913 -1.087 -0.747) 1.604 17.112 ( -4.749 8.239 -1.768) 9.673 17.230 ( 1.440 4.153 -0.943) 4.495 17.325 ( 1.830 3.267 -0.873) 3.845 17.439 ( 6.360 7.047 -5.262) 10.854 17.693 ( 8.439 3.589 4.127) 10.056 17.867 ( -0.066 11.986 -8.221) 14.534 18.504 ( -1.206 -7.068 0.879) 7.224 18.526 ( 1.150 -2.911 -0.082) 3.131 18.623 ( 4.467 1.230 0.014) 4.633 18.820 ( 2.275 6.702 -5.638) 9.049 19.031 ( 4.074 -13.900 2.710) 14.736 19.244 ( -0.348 -3.650 -4.256) 5.618 19.334 ( -1.285 1.305 -0.157) 1.838 19.471 ( 4.567 3.008 -0.876) 5.539 19.616 ( -1.871 0.272 -0.898) 2.093 19.679 ( 0.357 -1.908 -1.434) 2.413 20.265 ( -5.914 -5.836 4.670) 9.532 20.452 ( -3.575 -7.353 1.691) 8.349 20.582 ( -4.308 0.736 -0.321) 4.383 20.659 ( 0.366 1.330 2.836) 3.153 20.768 ( -9.859 -1.160 1.907) 10.108 20.905 ( -1.990 1.649 0.209) 2.593 21.046 ( -9.373 3.220 8.130) 12.819 21.410 ( -6.516 -1.841 -3.003) 7.407 22.337 ( 0.817 0.451 -0.727) 1.183 22.347 ( 2.921 0.564 0.851) 3.095 22.387 ( 2.534 -1.080 0.002) 2.754 22.401 ( 1.727 -0.699 -0.269) 1.882 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 16.389 4.381 -1.980) 17.080 1.316 ( 5.787 7.928 -4.032) 10.611 1.496 ( 17.145 8.475 13.871) 23.626 1.568 ( 1.086 -6.127 0.193) 6.225 1.906 ( 0.258 -0.483 0.932) 1.081 1.964 ( 7.192 1.895 -9.280) 11.893 2.076 ( 6.143 0.991 -6.282) 8.842 2.115 ( 2.770 0.137 -0.828) 2.895 2.173 ( 8.761 -1.266 2.318) 9.151 2.295 ( 2.724 1.898 -5.877) 6.750 2.346 ( 9.229 3.590 -0.925) 9.946 2.394 ( -8.253 -1.080 0.155) 8.325 2.448 ( 0.678 -2.439 -4.857) 5.477 2.488 ( 0.381 -1.716 -1.454) 2.281 2.585 ( 0.692 -1.801 0.255) 1.947 2.658 ( -6.500 -3.601 -1.530) 7.587 2.718 ( -1.666 -0.893 1.583) 2.466 2.774 ( -3.093 -1.123 1.707) 3.707 2.809 ( 4.976 -1.260 1.684) 5.402 2.837 ( 0.929 1.035 0.975) 1.699 2.957 ( 1.812 3.013 3.724) 5.122 3.033 ( 7.891 -0.346 3.735) 8.737 3.125 ( 1.637 1.161 1.325) 2.405 3.193 ( -4.788 -1.401 -2.693) 5.669 3.196 ( -0.786 -0.344 1.273) 1.535 3.220 ( 7.377 3.280 8.814) 11.952 3.329 ( 1.062 4.262 0.355) 4.407 3.372 ( 7.980 -0.984 0.172) 8.042 3.394 ( 1.800 10.444 0.678) 10.619 3.451 ( -0.318 6.115 1.915) 6.416 3.499 ( 0.802 2.074 1.210) 2.532 3.520 ( 2.507 4.972 3.490) 6.572 3.579 ( 2.361 -1.489 -0.904) 2.934 3.609 ( 2.413 1.111 -2.561) 3.690 3.705 ( 2.677 -1.387 -3.649) 4.734 3.725 ( 2.603 -2.950 1.590) 4.244 3.848 ( 2.578 2.271 -0.591) 3.486 3.895 ( 6.590 6.040 -3.002) 9.430 3.965 ( -0.599 4.240 -3.268) 5.387 4.063 ( 2.440 -1.511 -2.998) 4.150 4.092 ( 1.826 1.800 1.948) 3.220 4.136 ( 3.089 -0.404 -3.438) 4.640 4.238 ( -3.221 0.902 0.163) 3.349 4.301 ( 1.502 -5.587 5.936) 8.289 4.326 ( 5.861 -0.825 -1.802) 6.187 4.443 ( 1.383 -3.659 3.319) 5.130 4.487 ( 1.000 0.790 -5.631) 5.774 4.528 ( 4.015 -3.644 -1.945) 5.760 4.554 ( -3.140 0.720 -0.569) 3.272 4.705 ( -4.568 -1.916 0.038) 4.954 4.727 ( -2.078 -9.589 -1.839) 9.982 4.905 ( 0.746 -5.428 0.285) 5.486 4.950 ( -3.436 0.901 -0.627) 3.607 5.032 ( -1.925 3.359 0.222) 3.878 5.080 ( -8.383 -2.142 -6.817) 11.016 5.163 ( -4.117 6.472 2.252) 7.994 5.226 ( 6.383 -1.405 -1.220) 6.648 5.318 ( -1.550 -8.205 -3.894) 9.214 5.407 ( -5.736 -0.987 1.945) 6.137 5.467 ( 0.815 -3.851 -0.667) 3.993 5.533 ( 1.283 -2.459 -3.521) 4.483 5.619 ( -0.083 0.046 0.489) 0.498 5.772 ( -3.902 -1.507 -1.728) 4.526 5.800 ( -5.680 -1.564 6.419) 8.713 5.862 ( -3.752 4.111 2.049) 5.931 5.887 ( -4.906 2.809 2.351) 6.123 5.939 ( -3.943 -1.991 1.180) 4.572 6.008 ( -6.041 2.234 -2.634) 6.959 6.091 ( -6.504 3.592 1.361) 7.554 6.226 ( 0.893 7.691 2.057) 8.011 6.376 ( -6.334 -5.109 2.240) 8.440 6.464 ( 2.915 -0.764 0.565) 3.066 6.530 ( -0.108 0.198 -2.928) 2.937 6.596 ( -4.640 -0.441 2.107) 5.115 6.657 ( -0.179 -4.104 -2.919) 5.039 6.714 ( -1.408 -1.763 -0.086) 2.258 6.812 ( 3.019 2.219 0.498) 3.780 6.894 ( 0.948 0.157 1.890) 2.120 6.997 ( -1.197 5.066 2.053) 5.596 7.031 ( -4.759 4.491 3.776) 7.555 7.159 ( 3.414 5.650 0.032) 6.601 7.362 ( -2.760 -1.544 -1.535) 3.515 7.476 ( -4.248 1.700 4.557) 6.458 7.581 ( 0.125 -2.580 3.564) 4.401 7.728 ( -1.487 -3.428 -1.163) 3.913 7.793 ( 3.415 -2.142 -1.063) 4.169 7.886 ( 5.477 0.628 0.380) 5.526 7.972 ( 0.802 -0.143 -3.511) 3.604 8.044 ( 2.214 1.377 1.856) 3.200 8.140 ( 6.861 1.492 -1.572) 7.195 8.181 ( 3.234 4.923 -1.607) 6.105 8.277 ( -0.578 2.281 -1.633) 2.864 8.583 ( 0.011 3.903 -0.293) 3.914 8.732 ( -3.109 -2.327 0.537) 3.920 8.799 ( 0.510 -0.002 2.200) 2.259 8.856 ( -1.996 -2.174 -0.602) 3.013 8.909 ( 5.256 2.045 0.469) 5.660 8.998 ( 5.534 -4.181 1.790) 7.163 9.015 ( -2.882 2.095 1.990) 4.081 9.123 ( 4.791 -0.058 -2.312) 5.319 9.144 ( -0.790 4.751 -0.055) 4.817 9.312 ( -0.481 5.406 -2.325) 5.904 9.481 ( 0.755 1.119 1.924) 2.351 9.500 ( 2.394 1.718 0.316) 2.964 9.594 ( -0.132 0.188 1.058) 1.082 9.619 ( -0.251 -4.094 1.858) 4.503 9.675 ( -3.756 -2.600 -1.387) 4.774 9.766 ( -0.074 -1.953 0.657) 2.062 9.859 ( 1.610 -4.328 0.345) 4.631 9.893 ( -0.043 6.285 -4.164) 7.540 10.011 ( 2.157 3.016 2.467) 4.454 10.068 ( 5.181 3.207 -1.125) 6.196 10.117 ( -2.304 -2.383 -1.908) 3.825 10.192 ( 1.857 -2.481 -2.638) 4.070 10.271 ( -2.348 -2.728 3.066) 4.728 10.304 ( 0.591 -1.530 -2.337) 2.855 10.357 ( 5.732 -2.903 4.831) 8.038 10.402 ( 4.191 -3.092 -1.754) 5.496 10.464 ( -2.421 -3.067 -4.105) 5.668 10.522 ( -2.631 -0.102 -3.512) 4.389 10.725 ( 1.573 -2.165 -0.234) 2.686 10.750 ( -2.495 -1.182 3.567) 4.511 10.806 ( -1.178 0.118 3.705) 3.890 10.934 ( -0.774 -0.205 -0.848) 1.167 11.026 ( 2.112 3.284 -2.564) 4.671 11.091 ( -2.306 0.847 -2.864) 3.773 11.179 ( -5.313 3.106 0.933) 6.224 11.272 ( 1.098 -1.284 1.253) 2.103 11.467 ( -1.505 -2.062 -3.293) 4.166 11.560 ( -0.997 0.120 1.097) 1.487 11.592 ( 1.528 0.694 3.754) 4.112 11.648 ( -3.108 3.547 -0.325) 4.727 11.847 ( 0.026 2.307 -2.368) 3.306 11.949 ( 2.743 -0.179 1.085) 2.956 12.109 ( 0.816 -4.174 1.634) 4.556 12.312 ( -3.302 4.666 -1.733) 5.973 12.545 ( 4.189 -8.640 -10.030) 13.886 12.839 ( 3.083 0.957 -5.456) 6.339 13.164 ( 1.314 -4.624 6.066) 7.740 13.492 ( 3.904 -5.959 -4.695) 8.532 13.705 ( 0.473 -5.604 0.161) 5.626 13.847 ( 0.499 -5.732 4.172) 7.107 13.972 ( 0.560 -0.495 -2.165) 2.291 14.111 ( -3.388 -0.992 0.889) 3.641 14.276 ( -1.867 7.417 1.581) 7.810 14.460 ( -0.009 1.042 -4.478) 4.598 14.699 ( -2.294 0.909 6.930) 7.357 14.740 ( -2.977 1.946 3.564) 5.035 14.839 ( 2.160 1.770 1.335) 3.095 14.933 ( 0.503 -1.130 0.355) 1.287 15.152 ( 1.538 3.485 1.758) 4.195 15.345 ( 0.704 -0.482 -0.953) 1.280 17.032 ( -2.998 10.984 -0.018) 11.386 17.225 ( -0.403 7.962 -1.929) 8.202 17.384 ( 3.943 1.323 0.421) 4.180 17.499 ( 3.018 5.408 -3.269) 7.003 17.893 ( 9.838 -0.124 1.283) 9.922 17.928 ( 9.355 1.852 -0.186) 9.538 18.455 ( -4.276 -9.395 0.432) 10.331 18.522 ( -3.052 -5.177 1.693) 6.244 18.730 ( 5.521 1.297 -0.241) 5.676 18.855 ( 5.006 2.474 -3.811) 6.761 19.109 ( 3.474 -10.227 0.867) 10.835 19.184 ( -1.784 -6.864 -4.275) 8.281 19.335 ( 1.563 5.342 -1.820) 5.856 19.498 ( -0.452 4.933 -2.844) 5.712 19.635 ( 3.276 0.557 -0.285) 3.335 19.681 ( 1.502 -0.150 0.072) 1.511 20.166 ( -7.247 -4.843 2.276) 9.008 20.373 ( -4.701 -1.295 -3.547) 6.030 20.487 ( -5.300 0.568 0.519) 5.356 20.613 ( -7.040 1.527 4.524) 8.506 20.671 ( -2.300 -0.882 6.926) 7.351 20.819 ( -8.378 -0.623 2.828) 8.864 20.941 ( -4.488 4.923 1.028) 6.741 21.248 ( -8.411 -2.426 -3.620) 9.473 22.357 ( 1.881 0.509 -0.446) 1.999 22.409 ( 1.299 -0.765 0.161) 1.516 22.417 ( 2.582 -0.039 0.630) 2.658 22.447 ( 2.455 -0.664 -0.290) 2.559 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.545 -1.305 -0.528) 7.676 1.409 ( 3.760 3.106 -0.919) 4.963 1.700 ( 13.225 -0.184 0.646) 13.242 1.832 ( 0.956 -3.255 4.660) 5.764 1.916 ( 4.424 4.303 5.321) 8.148 2.055 ( -6.536 0.774 0.072) 6.582 2.066 ( -0.840 1.136 6.078) 6.240 2.106 ( -3.640 2.624 -1.754) 4.818 2.149 ( 3.384 4.005 -6.481) 8.336 2.278 ( 4.165 1.320 0.843) 4.450 2.399 ( 1.865 -4.719 -0.282) 5.082 2.436 ( 3.487 -2.019 -1.266) 4.223 2.504 ( 1.392 -2.775 -0.463) 3.139 2.520 ( 2.293 -2.494 -2.472) 4.194 2.558 ( 1.065 -6.622 1.144) 6.804 2.583 ( 4.331 1.195 -1.184) 4.646 2.652 ( -1.542 -2.265 -0.263) 2.752 2.771 ( -0.546 -2.848 2.423) 3.779 2.829 ( -2.791 1.438 -0.029) 3.140 2.919 ( 3.359 1.332 1.461) 3.897 2.958 ( -0.358 2.949 2.422) 3.832 3.078 ( -1.522 -1.233 -0.506) 2.023 3.096 ( -4.272 -2.468 -1.646) 5.201 3.180 ( -0.198 0.412 -0.119) 0.473 3.230 ( 4.090 -3.318 -0.921) 5.347 3.306 ( -1.172 7.343 2.043) 7.711 3.369 ( -5.473 3.828 2.405) 7.099 3.405 ( -2.548 8.512 -2.930) 9.356 3.473 ( -0.317 5.345 3.962) 6.661 3.523 ( 2.618 1.922 -1.323) 3.507 3.564 ( 0.201 0.256 -4.802) 4.813 3.596 ( 7.594 2.371 4.536) 9.158 3.622 ( 7.718 4.012 3.284) 9.298 3.703 ( 2.338 3.162 0.852) 4.024 3.755 ( 7.022 -0.721 -2.770) 7.582 3.770 ( 3.727 -0.858 1.837) 4.243 3.874 ( -1.440 -1.104 2.929) 3.446 3.955 ( -6.076 2.520 -7.179) 9.737 3.995 ( -0.545 4.032 1.065) 4.205 4.000 ( 5.485 -0.308 0.533) 5.519 4.082 ( -1.999 1.941 0.207) 2.794 4.136 ( -5.801 6.507 -5.002) 10.050 4.179 ( 1.187 -4.184 -6.120) 7.508 4.299 ( -4.939 -2.875 -1.542) 5.919 4.373 ( -3.551 -0.085 4.670) 5.867 4.469 ( 4.288 0.255 0.458) 4.320 4.495 ( 7.032 2.399 -3.075) 8.042 4.558 ( 4.086 -2.550 1.567) 5.065 4.626 ( 5.809 0.401 -0.173) 5.825 4.664 ( 6.958 1.538 -1.729) 7.333 4.759 ( -3.512 -5.229 3.869) 7.392 4.852 ( -3.745 0.339 2.059) 4.287 4.891 ( 1.768 0.420 -3.811) 4.222 4.950 ( -3.737 0.943 2.979) 4.871 5.017 ( -2.165 5.327 0.729) 5.796 5.098 ( 0.165 -2.643 -9.946) 10.292 5.230 ( -2.448 0.752 -4.126) 4.856 5.307 ( -0.725 -4.127 1.547) 4.466 5.393 ( -4.176 -1.516 0.202) 4.447 5.448 ( 2.754 -2.593 4.091) 5.572 5.540 ( 2.587 1.323 -1.872) 3.456 5.603 ( -4.656 -4.527 -1.616) 6.692 5.686 ( -4.511 -2.071 -0.570) 4.997 5.764 ( -1.562 -0.773 4.174) 4.523 5.810 ( -0.060 2.250 -1.177) 2.540 5.875 ( -1.451 -3.115 1.291) 3.671 5.886 ( -3.394 -1.531 -1.281) 3.937 5.913 ( 2.736 0.503 2.778) 3.932 6.010 ( -4.442 1.376 4.878) 6.740 6.249 ( 0.244 2.680 -0.327) 2.711 6.270 ( -5.304 -5.481 1.185) 7.718 6.432 ( -3.944 -0.670 -2.224) 4.577 6.520 ( 0.702 1.176 2.112) 2.517 6.612 ( 1.990 0.961 1.173) 2.502 6.645 ( 0.038 -2.680 -0.188) 2.687 6.711 ( 1.516 -2.528 -1.533) 3.323 6.846 ( 0.760 1.995 -0.068) 2.136 6.927 ( 0.733 -0.647 1.767) 2.019 6.943 ( -4.458 2.422 -0.117) 5.075 7.023 ( 0.862 2.813 2.474) 3.844 7.206 ( 1.775 2.673 -1.121) 3.399 7.291 ( -1.803 3.030 -1.167) 3.714 7.437 ( -3.375 1.682 4.329) 5.741 7.588 ( -1.781 -0.910 1.766) 2.668 7.714 ( -0.123 -4.440 2.121) 4.922 7.828 ( 1.482 -1.681 1.193) 2.539 7.944 ( 2.593 1.217 -3.920) 4.855 8.017 ( 2.392 -4.432 0.464) 5.058 8.061 ( -0.697 3.230 0.727) 3.383 8.206 ( 2.284 4.772 -2.109) 5.695 8.260 ( 3.442 2.946 -0.523) 4.561 8.281 ( 2.357 -0.303 -1.136) 2.634 8.579 ( -0.209 0.936 1.929) 2.154 8.664 ( -3.132 -1.967 2.090) 4.248 8.780 ( -2.392 2.199 2.838) 4.314 8.887 ( 0.679 0.168 1.882) 2.007 8.974 ( 0.712 2.745 0.440) 2.870 9.002 ( 1.695 1.000 -1.625) 2.552 9.077 ( 2.076 -1.144 3.231) 4.007 9.143 ( 1.568 2.142 -1.610) 3.104 9.199 ( 2.921 0.181 -1.510) 3.293 9.278 ( -1.027 2.559 -3.013) 4.084 9.501 ( -1.416 0.626 3.537) 3.861 9.545 ( -0.880 2.775 0.767) 3.010 9.558 ( 1.837 -1.174 -5.654) 6.060 9.588 ( -2.818 -1.985 -2.214) 4.097 9.661 ( 0.644 -0.464 5.710) 5.765 9.763 ( 0.072 -7.192 0.021) 7.192 9.844 ( -1.846 0.999 1.302) 2.470 9.916 ( 2.536 1.603 -2.780) 4.090 10.023 ( -1.161 -0.069 -3.504) 3.692 10.054 ( -0.650 0.355 -0.131) 0.752 10.142 ( 1.839 4.347 -0.284) 4.728 10.219 ( -2.539 -3.214 2.684) 4.897 10.275 ( 5.933 -0.460 -0.170) 5.953 10.303 ( 0.043 -1.191 -0.479) 1.284 10.393 ( -0.875 -2.843 -2.214) 3.708 10.452 ( 0.081 -3.165 1.224) 3.395 10.461 ( 1.583 2.291 -2.045) 3.455 10.539 ( 4.557 -1.422 2.386) 5.337 10.682 ( -3.074 0.717 -1.473) 3.483 10.740 ( -1.413 -3.093 0.614) 3.455 10.858 ( 3.660 -0.625 2.215) 4.323 10.913 ( -1.077 2.206 -1.212) 2.738 11.004 ( -0.438 -2.895 -0.497) 2.970 11.057 ( -4.431 0.667 -0.176) 4.484 11.081 ( -2.026 3.834 -0.168) 4.340 11.291 ( 0.269 -1.829 1.785) 2.570 11.448 ( 1.136 1.040 -2.942) 3.321 11.537 ( -0.955 -0.026 0.196) 0.975 11.592 ( -1.814 3.240 0.910) 3.823 11.672 ( 1.096 1.111 4.282) 4.558 11.827 ( -0.034 7.108 -2.402) 7.503 11.996 ( 2.689 -1.661 -2.727) 4.174 12.114 ( -2.559 -4.790 3.858) 6.662 12.277 ( 0.355 6.272 3.455) 7.169 12.572 ( 5.084 -9.480 -9.585) 14.409 12.834 ( 1.118 3.389 -7.352) 8.173 13.206 ( -0.488 -11.485 5.655) 12.811 13.513 ( 1.318 -9.573 -2.989) 10.115 13.740 ( 2.964 -5.029 -2.763) 6.459 13.837 ( -4.043 -6.936 0.189) 8.031 13.980 ( 1.948 2.659 0.983) 3.440 14.076 ( -1.848 -0.307 3.347) 3.835 14.247 ( -1.176 7.253 -0.833) 7.395 14.425 ( -0.109 -0.502 -5.317) 5.342 14.690 ( -3.121 4.138 6.015) 7.940 14.733 ( -0.883 3.019 3.949) 5.049 14.873 ( 0.718 1.501 0.474) 1.730 14.940 ( 0.270 -1.361 -0.496) 1.473 15.182 ( 0.373 3.009 1.434) 3.354 15.349 ( 0.439 -0.125 -1.171) 1.257 17.006 ( -0.752 11.261 2.408) 11.541 17.211 ( 0.550 9.220 -1.942) 9.438 17.442 ( 1.529 1.101 0.651) 1.993 17.523 ( 1.535 3.887 -1.642) 4.490 18.083 ( 6.166 -3.175 2.552) 7.390 18.115 ( 12.275 -2.288 -0.082) 12.487 18.352 ( -7.417 -7.876 -0.102) 10.819 18.428 ( -6.783 -8.515 1.910) 11.052 18.794 ( 1.660 1.930 0.920) 2.707 18.941 ( 4.864 -3.023 -1.823) 6.010 19.150 ( 0.242 -4.283 -1.841) 4.668 19.179 ( 3.106 -6.306 1.914) 7.285 19.352 ( 2.881 7.065 -5.907) 9.649 19.488 ( 1.945 4.187 -2.659) 5.328 19.645 ( -0.155 -0.741 -1.361) 1.558 19.736 ( 1.476 3.204 -0.146) 3.531 20.030 ( -6.719 -2.857 -2.822) 7.828 20.246 ( -5.575 -0.489 -5.419) 7.790 20.417 ( -3.684 1.935 4.055) 5.810 20.564 ( -2.480 -0.862 4.477) 5.191 20.667 ( -5.543 1.974 7.959) 9.898 20.721 ( 0.294 -0.088 1.167) 1.206 20.886 ( -1.637 1.755 -1.206) 2.686 21.100 ( -3.422 -2.701 -4.165) 6.029 22.390 ( 1.433 0.122 0.355) 1.481 22.421 ( 0.305 -0.713 0.363) 0.856 22.455 ( 0.646 0.223 0.108) 0.692 22.476 ( 0.911 -0.467 -0.549) 1.161 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.215 -2.882 -0.043) 3.128 1.448 ( -2.791 0.790 -0.371) 2.924 1.671 ( -15.353 1.089 4.500) 16.036 1.731 ( -13.518 4.850 2.557) 14.588 1.789 ( -7.832 4.485 -1.075) 9.089 1.992 ( 9.819 0.087 -0.397) 9.827 2.202 ( 6.327 -3.092 4.894) 8.575 2.284 ( 1.591 -2.409 -0.497) 2.929 2.298 ( 5.397 0.181 3.177) 6.265 2.318 ( 6.377 -0.530 1.700) 6.620 2.403 ( 0.340 -1.290 -2.279) 2.641 2.454 ( -0.723 -0.516 1.918) 2.114 2.508 ( 3.066 -4.617 1.319) 5.697 2.548 ( 3.083 -0.716 -0.347) 3.184 2.610 ( 2.485 1.304 -0.405) 2.835 2.621 ( -0.405 -1.653 0.436) 1.757 2.734 ( 3.010 -1.557 2.480) 4.199 2.758 ( -1.732 1.434 -2.649) 3.475 2.834 ( 5.482 1.047 2.425) 6.085 2.928 ( -4.776 -1.128 -2.101) 5.338 2.978 ( -1.516 2.323 4.070) 4.925 3.007 ( -0.496 0.358 -5.709) 5.741 3.073 ( -2.243 -1.600 5.240) 5.920 3.122 ( -3.401 0.969 -3.767) 5.167 3.202 ( -12.824 5.653 4.731) 14.792 3.254 ( -0.693 -7.049 -3.469) 7.887 3.317 ( -4.809 4.265 -2.273) 6.817 3.358 ( 0.694 8.607 3.915) 9.481 3.403 ( -9.575 5.005 -0.365) 10.811 3.490 ( -1.591 3.550 -1.764) 4.272 3.514 ( -5.262 4.376 0.704) 6.880 3.567 ( -0.378 0.437 -0.353) 0.677 3.610 ( -6.140 -0.930 -1.349) 6.355 3.655 ( -2.005 1.919 -0.790) 2.886 3.735 ( -6.353 -2.396 -4.203) 7.986 3.825 ( 2.123 -0.542 3.360) 4.012 3.886 ( 1.730 -0.098 -4.344) 4.677 3.926 ( 1.410 3.835 -0.605) 4.131 3.966 ( 2.578 2.815 -7.592) 8.498 4.045 ( 0.667 1.311 -3.754) 4.032 4.084 ( 1.299 5.701 0.166) 5.850 4.141 ( 4.775 -3.370 1.595) 6.059 4.206 ( -1.681 -5.877 6.951) 9.257 4.298 ( -7.739 -3.094 2.485) 8.698 4.344 ( 3.440 2.123 4.077) 5.741 4.469 ( -4.283 1.474 -2.240) 5.053 4.501 ( -4.412 0.785 -5.090) 6.781 4.568 ( 5.234 -0.470 -6.588) 8.428 4.712 ( -4.558 -0.731 -0.679) 4.666 4.776 ( 2.977 2.046 4.462) 5.741 4.825 ( 6.251 -0.808 0.330) 6.312 4.855 ( -0.982 -2.697 1.717) 3.345 4.922 ( 4.710 5.810 -2.993) 8.056 4.956 ( 0.513 0.176 3.632) 3.672 4.991 ( 8.467 2.927 3.296) 9.546 5.101 ( 5.471 3.838 -0.976) 6.754 5.261 ( 6.333 -0.712 -6.988) 9.458 5.281 ( -3.525 -1.944 3.179) 5.130 5.343 ( 0.618 -3.250 1.945) 3.838 5.457 ( -4.086 -2.445 0.189) 4.765 5.492 ( 0.580 -2.721 -3.773) 4.688 5.584 ( -0.863 1.053 -2.472) 2.822 5.626 ( 0.077 -2.942 4.262) 5.180 5.780 ( -0.971 -1.874 -0.147) 2.116 5.809 ( 0.136 0.239 -2.763) 2.776 5.844 ( 2.039 -0.944 -1.286) 2.589 5.901 ( 0.720 2.514 2.330) 3.503 5.999 ( 1.335 -0.613 3.092) 3.423 6.033 ( 6.192 -0.022 3.427) 7.078 6.224 ( -1.021 -0.036 0.319) 1.071 6.254 ( 2.796 -5.952 0.950) 6.644 6.396 ( 1.740 -3.534 -3.268) 5.118 6.545 ( 0.362 2.522 3.618) 4.425 6.622 ( -0.908 1.884 1.109) 2.368 6.662 ( 1.091 -1.498 0.210) 1.864 6.734 ( 0.956 -0.659 -1.516) 1.910 6.853 ( 0.279 2.251 2.011) 3.031 6.869 ( -2.771 1.559 -1.900) 3.704 6.927 ( -1.356 -1.398 -0.788) 2.101 7.043 ( 0.617 -1.486 -0.003) 1.609 7.245 ( 1.100 3.787 3.064) 4.994 7.296 ( 2.502 3.747 0.361) 4.520 7.402 ( -3.263 3.501 4.785) 6.768 7.533 ( -4.212 -1.231 -1.872) 4.771 7.745 ( 1.268 -3.624 2.820) 4.764 7.856 ( -0.141 -1.714 1.974) 2.618 7.945 ( -1.690 -2.107 -1.191) 2.952 8.022 ( -0.282 -2.272 -1.458) 2.714 8.036 ( -2.167 5.225 0.329) 5.666 8.215 ( 0.094 1.868 -2.014) 2.749 8.271 ( -0.491 1.269 -0.145) 1.368 8.326 ( 1.779 1.027 -1.620) 2.616 8.618 ( 1.867 1.223 4.058) 4.631 8.674 ( 2.986 -1.389 1.641) 3.679 8.775 ( 0.629 4.332 3.051) 5.336 8.891 ( -1.355 0.399 1.828) 2.310 8.936 ( -4.605 2.032 -0.443) 5.053 9.009 ( -1.604 -0.731 2.131) 2.766 9.102 ( -1.643 -1.359 1.309) 2.502 9.140 ( -0.944 -1.930 -1.269) 2.496 9.220 ( 1.202 3.680 -2.447) 4.580 9.257 ( 0.353 1.336 -1.074) 1.750 9.419 ( -4.612 -1.128 -5.462) 7.237 9.507 ( -2.089 -1.308 -5.461) 5.991 9.548 ( 1.287 -0.616 -0.537) 1.525 9.635 ( 4.106 4.675 3.535) 7.155 9.696 ( 0.403 -1.924 2.500) 3.180 9.805 ( 0.439 -4.223 9.486) 10.392 9.827 ( -0.017 -1.461 -0.741) 1.638 9.917 ( 0.913 1.506 -3.387) 3.817 10.011 ( 0.597 -1.277 -1.092) 1.784 10.034 ( -0.419 1.575 -1.057) 1.942 10.148 ( -1.610 2.790 -1.350) 3.493 10.216 ( 1.279 -3.678 -0.686) 3.954 10.283 ( -2.703 -0.540 0.116) 2.759 10.311 ( -0.310 1.351 -1.536) 2.069 10.406 ( 2.229 0.005 -2.969) 3.713 10.454 ( 1.473 0.393 -2.162) 2.645 10.491 ( 0.639 -3.949 4.116) 5.739 10.595 ( -0.438 -0.848 4.081) 4.191 10.656 ( 0.494 -0.235 0.039) 0.548 10.708 ( -0.956 -1.882 -0.077) 2.113 10.842 ( -5.064 0.688 -0.154) 5.113 10.904 ( -0.019 0.542 -0.192) 0.575 11.026 ( 3.350 -1.416 -2.166) 4.233 11.053 ( -0.720 3.343 1.283) 3.652 11.074 ( 5.554 -0.850 -0.116) 5.620 11.304 ( 0.387 -2.849 -0.686) 2.956 11.446 ( -0.053 3.425 -1.447) 3.719 11.535 ( 0.441 -0.605 0.409) 0.853 11.582 ( -0.111 1.654 1.883) 2.508 11.698 ( -0.167 1.264 3.612) 3.830 11.825 ( 1.735 9.165 -2.953) 9.784 12.011 ( 0.713 -2.457 -2.829) 3.815 12.067 ( -4.367 -5.250 3.105) 7.502 12.376 ( 5.711 5.829 7.205) 10.886 12.599 ( 4.046 -8.719 -8.615) 12.908 12.800 ( 1.575 4.742 -9.986) 11.167 13.223 ( -2.596 -12.833 7.039) 14.865 13.501 ( -0.003 -14.238 -5.275) 15.184 13.732 ( -4.883 -2.563 -1.463) 5.705 13.748 ( -0.960 -3.216 -1.649) 3.739 14.047 ( 3.281 2.620 2.917) 5.113 14.090 ( 1.075 -0.009 2.777) 2.978 14.227 ( 0.221 4.956 -2.982) 5.788 14.394 ( 0.115 -3.176 -4.121) 5.204 14.666 ( -3.514 5.239 5.755) 8.539 14.748 ( -0.277 3.608 4.129) 5.490 14.870 ( -1.099 1.572 0.234) 1.932 14.935 ( -0.535 -2.174 -0.431) 2.280 15.180 ( -1.638 3.317 1.422) 3.963 15.344 ( -0.098 -0.242 -1.459) 1.482 17.028 ( 0.913 10.366 3.079) 10.852 17.225 ( 2.222 8.438 -1.655) 8.881 17.444 ( -1.617 1.740 0.690) 2.474 17.536 ( 0.901 3.368 -1.496) 3.793 18.073 ( -7.744 -0.775 2.371) 8.135 18.178 ( -10.569 -4.084 1.935) 11.495 18.356 ( 10.030 -7.250 -0.292) 12.379 18.396 ( 3.938 -9.918 0.929) 10.712 18.801 ( -1.967 2.225 1.026) 3.142 18.975 ( -0.461 -3.988 -0.340) 4.029 19.165 ( 1.749 -2.463 -0.126) 3.024 19.232 ( 1.176 -3.470 2.440) 4.402 19.366 ( 4.115 6.340 -10.610) 13.027 19.533 ( 3.703 0.175 -0.707) 3.774 19.619 ( -2.458 -0.380 0.193) 2.494 19.701 ( -4.061 2.508 -0.870) 4.852 19.917 ( -2.475 1.903 -7.349) 7.985 20.119 ( -4.346 -3.968 -2.188) 6.278 20.412 ( 0.992 5.184 3.493) 6.329 20.563 ( 0.012 -1.254 2.367) 2.678 20.654 ( 0.562 3.256 5.797) 6.673 20.790 ( 4.007 -1.275 3.661) 5.575 20.866 ( 0.742 1.986 -2.174) 3.037 21.105 ( 6.295 -2.933 -3.762) 7.898 22.404 ( -0.506 0.001 0.998) 1.119 22.426 ( -0.452 -0.642 0.194) 0.809 22.443 ( -1.473 0.342 -0.182) 1.523 22.472 ( -0.834 -0.610 -0.690) 1.242 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -23.197 10.011 0.026) 25.265 1.178 ( -17.896 9.232 2.651) 20.311 1.615 ( 0.026 5.502 0.956) 5.585 1.630 ( 2.621 -3.813 0.779) 4.692 1.690 ( -1.486 0.174 -1.743) 2.297 2.093 ( -14.759 -2.393 -0.160) 14.953 2.115 ( -5.105 -1.665 0.610) 5.404 2.142 ( -10.534 -0.520 0.474) 10.558 2.257 ( -17.459 8.155 -0.984) 19.295 2.336 ( -3.899 -1.144 -1.437) 4.311 2.414 ( -3.571 -1.065 -2.678) 4.589 2.463 ( -2.257 -0.268 -1.318) 2.628 2.525 ( -3.572 -1.067 1.081) 3.881 2.575 ( 10.140 1.261 -2.279) 10.469 2.601 ( -0.358 -1.024 -3.100) 3.285 2.695 ( 0.739 0.353 5.067) 5.133 2.721 ( -2.876 1.401 1.368) 3.479 2.766 ( -3.580 0.634 -0.450) 3.663 2.814 ( 6.256 0.082 0.275) 6.262 2.860 ( 1.323 1.681 0.828) 2.293 2.926 ( 0.202 0.148 -1.782) 1.800 3.052 ( 2.491 -2.031 3.488) 4.743 3.104 ( 3.574 -0.871 4.162) 5.554 3.110 ( -3.595 -3.093 0.315) 4.753 3.127 ( 5.464 -2.006 -0.519) 5.844 3.224 ( -0.682 5.022 0.961) 5.159 3.271 ( -0.017 1.773 -0.012) 1.773 3.305 ( -4.346 -1.010 0.327) 4.474 3.363 ( -0.532 5.704 2.372) 6.201 3.438 ( -4.957 3.225 -2.060) 6.262 3.450 ( -4.206 1.414 1.964) 4.852 3.497 ( -0.612 -0.412 -0.336) 0.810 3.543 ( -4.808 1.526 -3.283) 6.019 3.604 ( 0.302 1.951 1.823) 2.688 3.718 ( 0.604 -0.040 1.178) 1.325 3.766 ( -4.389 -3.954 -3.995) 7.132 3.851 ( -8.835 3.907 0.577) 9.677 3.906 ( -2.287 -0.323 -2.944) 3.741 3.992 ( 3.933 0.001 4.096) 5.678 4.026 ( 0.426 -0.875 -2.644) 2.817 4.087 ( -0.644 -2.003 -4.882) 5.316 4.128 ( -1.995 3.698 0.200) 4.206 4.182 ( -1.768 -5.131 1.991) 5.781 4.239 ( 2.788 -2.741 3.961) 5.566 4.364 ( -5.619 1.750 0.896) 5.953 4.422 ( -1.394 2.488 -0.784) 2.958 4.494 ( 1.140 -1.397 -8.579) 8.767 4.527 ( -6.617 -4.119 -3.569) 8.573 4.611 ( 4.148 -3.083 -5.718) 7.708 4.794 ( 0.004 0.003 2.266) 2.266 4.802 ( -3.702 -1.877 1.917) 4.572 4.910 ( 2.607 3.777 2.875) 5.416 4.945 ( -0.547 2.055 -2.681) 3.422 4.976 ( -2.594 0.766 6.232) 6.794 5.126 ( 1.374 -2.626 -0.586) 3.022 5.241 ( 1.766 -3.421 0.995) 3.976 5.298 ( 4.945 1.891 -1.916) 5.630 5.349 ( 1.639 -0.937 0.383) 1.926 5.401 ( 6.020 -2.284 -1.699) 6.659 5.467 ( 6.349 -0.661 0.896) 6.446 5.519 ( 4.137 -0.193 -0.051) 4.142 5.589 ( 3.383 -2.871 -1.013) 4.551 5.711 ( -0.066 -0.269 -1.044) 1.080 5.723 ( 5.330 2.382 1.995) 6.170 5.835 ( 3.401 -1.673 -1.361) 4.027 5.839 ( -0.527 6.639 -1.273) 6.780 5.970 ( 6.285 5.475 -2.240) 8.631 6.055 ( 2.450 -0.455 1.323) 2.821 6.128 ( 1.119 0.949 3.770) 4.045 6.279 ( 6.189 1.620 3.204) 7.155 6.372 ( 7.491 -7.907 2.982) 11.293 6.422 ( 2.636 -3.565 -3.840) 5.865 6.563 ( 0.017 0.709 1.104) 1.312 6.628 ( -0.918 2.183 0.165) 2.374 6.649 ( -1.383 1.059 -0.137) 1.747 6.737 ( 1.032 3.984 -2.273) 4.702 6.823 ( -1.580 -1.539 0.694) 2.313 6.891 ( 0.062 -2.127 -2.935) 3.625 6.903 ( 1.606 3.807 7.387) 8.465 7.050 ( -0.044 -1.926 0.587) 2.014 7.228 ( -4.640 2.839 3.742) 6.602 7.374 ( 4.017 2.538 0.965) 4.849 7.397 ( -5.875 2.070 0.016) 6.229 7.418 ( -1.192 2.958 1.244) 3.423 7.758 ( -3.867 -4.938 -0.332) 6.280 7.829 ( -0.864 -0.631 0.718) 1.288 7.904 ( -1.490 -2.357 0.668) 2.868 7.983 ( -3.025 2.191 -2.511) 4.501 7.999 ( -2.404 4.237 0.185) 4.875 8.205 ( -0.770 0.149 0.904) 1.197 8.238 ( -1.128 -1.348 -1.456) 2.282 8.351 ( 2.915 1.742 -2.069) 3.976 8.653 ( -0.290 2.430 2.752) 3.682 8.761 ( 1.818 -3.252 -0.206) 3.731 8.807 ( -3.994 1.591 1.105) 4.439 8.841 ( 0.173 1.984 -1.318) 2.388 8.875 ( -2.256 2.035 3.851) 4.905 8.975 ( -2.439 1.017 1.979) 3.301 9.052 ( -4.232 -2.995 -0.191) 5.188 9.124 ( -0.118 -2.255 3.766) 4.391 9.212 ( -0.225 2.465 0.040) 2.476 9.272 ( 2.400 2.924 -2.973) 4.812 9.323 ( -1.087 -0.978 -5.860) 6.040 9.448 ( -0.325 0.337 -4.798) 4.821 9.571 ( 0.234 -1.098 3.576) 3.748 9.712 ( 0.532 0.904 0.989) 1.441 9.722 ( 1.376 0.038 2.988) 3.289 9.796 ( -1.788 -1.677 0.799) 2.579 9.861 ( -1.160 0.265 2.982) 3.210 9.958 ( 2.817 -0.393 0.955) 3.001 9.988 ( -2.230 0.076 0.419) 2.271 10.025 ( -0.120 0.319 -3.419) 3.436 10.079 ( -3.558 1.853 0.802) 4.091 10.220 ( -2.615 2.745 -2.279) 4.423 10.255 ( 1.583 -5.628 -2.560) 6.382 10.279 ( -0.120 -2.229 -0.340) 2.258 10.435 ( -0.808 -4.236 -4.013) 5.891 10.444 ( 3.100 2.961 -0.146) 4.289 10.512 ( -0.099 -4.964 2.543) 5.578 10.644 ( 2.652 -5.441 2.306) 6.477 10.670 ( 1.021 1.077 0.343) 1.522 10.699 ( -1.265 0.243 1.709) 2.140 10.769 ( -3.634 1.634 1.725) 4.342 10.889 ( -0.379 0.225 -1.070) 1.157 11.050 ( 0.475 2.038 0.827) 2.250 11.096 ( 5.407 1.949 -4.568) 7.342 11.185 ( 4.261 -3.198 -0.550) 5.356 11.285 ( 0.992 -1.070 -5.696) 5.879 11.443 ( -0.652 2.001 3.238) 3.862 11.547 ( 0.864 -1.196 -1.613) 2.186 11.599 ( -0.462 -1.639 3.145) 3.576 11.736 ( 2.248 2.078 3.043) 4.317 11.843 ( 2.417 9.096 -4.677) 10.510 11.965 ( -5.993 -4.784 5.419) 9.390 12.031 ( 0.699 -4.194 -4.452) 6.156 12.532 ( 5.101 5.533 7.559) 10.666 12.600 ( 2.038 -8.577 -9.547) 12.995 12.773 ( 2.929 4.396 -11.502) 12.657 13.164 ( -9.071 -7.910 7.755) 14.318 13.453 ( -0.656 -13.652 -6.293) 15.047 13.665 ( 0.296 -2.710 -4.985) 5.681 13.735 ( -0.993 -3.209 4.910) 5.949 14.073 ( -1.873 1.530 -4.247) 4.887 14.147 ( 3.161 5.112 2.799) 6.630 14.237 ( 2.687 1.486 0.108) 3.072 14.379 ( 0.342 -6.813 -1.336) 6.951 14.640 ( -3.578 3.552 6.967) 8.600 14.773 ( -0.042 3.140 3.347) 4.589 14.852 ( -0.772 1.908 1.917) 2.812 14.917 ( -1.303 -2.890 0.534) 3.215 15.147 ( -2.853 3.923 1.879) 5.202 15.328 ( -0.396 -0.729 -1.789) 1.972 17.067 ( 1.633 7.881 1.180) 8.134 17.253 ( 1.054 5.081 -1.217) 5.330 17.404 ( -2.817 3.795 0.816) 4.796 17.523 ( -1.108 1.590 -3.303) 3.830 17.900 ( -11.196 1.054 1.652) 11.366 18.054 ( -2.886 5.441 1.642) 6.374 18.428 ( 3.007 -11.733 -0.138) 12.113 18.547 ( 5.401 -6.314 2.421) 8.654 18.737 ( -4.511 0.999 -0.382) 4.636 18.919 ( -4.879 -5.502 -2.577) 7.792 19.195 ( 0.976 -0.899 1.126) 1.740 19.269 ( 1.898 -1.116 0.457) 2.249 19.342 ( 1.867 5.461 -17.925) 18.831 19.560 ( -0.281 -2.558 -5.510) 6.081 19.611 ( -1.594 0.327 8.973) 9.119 19.635 ( -0.062 -1.149 0.865) 1.440 19.820 ( -2.876 8.974 -1.734) 9.582 20.111 ( 3.460 -6.136 2.155) 7.367 20.498 ( 5.141 4.052 2.518) 7.014 20.593 ( 2.042 -1.548 1.198) 2.829 20.748 ( 4.764 3.535 6.990) 9.168 20.866 ( 2.396 3.465 -1.231) 4.389 20.909 ( 4.492 0.268 1.667) 4.799 21.239 ( 9.874 -2.650 -3.659) 10.859 22.375 ( -3.133 0.113 -0.683) 3.209 22.397 ( -1.715 0.513 1.123) 2.114 22.424 ( -1.130 -1.067 0.227) 1.570 22.443 ( -1.829 -1.016 -0.459) 2.142 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -19.718 18.594 0.526) 27.107 0.878 ( -18.918 17.806 10.952) 28.194 1.510 ( -25.705 32.060 17.395) 44.623 1.606 ( 2.455 -4.845 -10.351) 11.690 1.699 ( -1.923 -0.484 -1.938) 2.773 1.842 ( 1.047 -6.114 9.537) 11.377 1.843 ( -3.696 -4.189 -10.621) 12.000 2.013 ( -5.069 9.160 -5.149) 11.667 2.145 ( -11.208 -1.508 -6.359) 12.974 2.227 ( -9.967 -3.905 -3.985) 11.422 2.246 ( 0.318 1.127 7.522) 7.613 2.430 ( -2.402 -1.714 -7.111) 7.699 2.453 ( -1.587 -1.582 -2.605) 3.436 2.560 ( -2.523 -1.431 0.061) 2.901 2.617 ( -4.266 -1.741 2.371) 5.182 2.638 ( -1.301 -3.109 -2.285) 4.072 2.706 ( 0.580 -0.297 3.434) 3.495 2.824 ( 4.319 1.785 -0.835) 4.748 2.876 ( -1.644 -1.924 -2.752) 3.739 2.897 ( 1.674 2.481 -0.398) 3.020 2.984 ( 3.947 2.541 -0.671) 4.742 3.060 ( -1.721 2.853 -2.063) 3.919 3.133 ( -1.012 0.084 2.526) 2.722 3.158 ( 1.252 4.175 -0.290) 4.368 3.187 ( 1.652 -3.841 0.807) 4.258 3.196 ( -4.444 2.625 1.371) 5.340 3.222 ( 2.720 -1.544 -0.051) 3.128 3.302 ( -0.228 0.232 0.939) 0.994 3.339 ( -5.776 1.902 2.678) 6.644 3.383 ( -0.682 -1.059 -1.672) 2.093 3.418 ( 1.713 3.919 -3.478) 5.512 3.483 ( -1.545 -0.241 5.417) 5.638 3.513 ( 4.430 5.100 3.422) 7.573 3.613 ( -1.884 3.080 1.916) 4.087 3.642 ( -2.895 -0.697 5.170) 5.966 3.722 ( -0.135 -1.242 -2.287) 2.606 3.800 ( -0.764 0.004 -2.719) 2.825 3.877 ( 0.035 -4.506 -1.430) 4.727 3.961 ( -4.725 -1.528 -3.370) 6.002 4.023 ( -2.753 0.115 -2.194) 3.522 4.035 ( -5.342 -7.410 0.364) 9.142 4.108 ( 0.875 -5.181 2.099) 5.658 4.224 ( -4.587 1.360 -5.698) 7.440 4.227 ( 4.993 1.084 -0.531) 5.137 4.326 ( -1.253 -8.784 7.942) 11.908 4.385 ( -0.398 0.613 0.109) 0.739 4.417 ( 1.960 1.591 -2.244) 3.377 4.475 ( -0.515 -3.323 -2.487) 4.182 4.658 ( 2.313 -4.887 -3.186) 6.276 4.704 ( -4.709 -7.052 -1.456) 8.604 4.815 ( -1.520 4.858 0.013) 5.090 4.871 ( -3.918 -5.607 -2.936) 7.444 4.973 ( 1.616 6.231 0.389) 6.448 5.052 ( 7.549 3.223 8.607) 11.894 5.160 ( 1.603 -5.410 2.290) 6.090 5.251 ( -0.186 -1.537 -2.052) 2.570 5.281 ( -2.149 -3.082 -4.157) 5.603 5.356 ( 0.319 -0.295 1.885) 1.935 5.414 ( -1.253 -0.831 -1.909) 2.430 5.588 ( 0.191 -2.625 -1.168) 2.880 5.603 ( 0.986 -0.566 -1.506) 1.887 5.638 ( 6.582 -1.191 0.929) 6.753 5.689 ( 2.615 1.010 -2.068) 3.483 5.852 ( 3.304 8.907 -0.449) 9.511 5.913 ( 4.940 -0.474 2.973) 5.785 5.941 ( 7.573 3.010 4.333) 9.230 6.055 ( 2.967 2.254 -3.310) 4.985 6.128 ( 3.927 -1.448 -2.257) 4.755 6.168 ( 6.244 9.096 -0.133) 11.034 6.388 ( 1.376 3.021 -5.582) 6.494 6.457 ( 4.306 -0.543 4.280) 6.095 6.512 ( 4.014 -3.302 -0.335) 5.209 6.558 ( 0.940 -1.637 -2.278) 2.959 6.597 ( -0.191 0.259 1.848) 1.875 6.669 ( 0.878 4.123 1.734) 4.558 6.725 ( 0.355 1.690 -0.301) 1.752 6.770 ( -1.670 -1.618 -3.540) 4.236 6.915 ( -0.255 -0.531 6.587) 6.613 7.014 ( 4.191 1.901 7.781) 9.040 7.065 ( -0.242 -0.012 5.884) 5.889 7.170 ( -4.648 2.665 1.704) 5.622 7.214 ( -6.460 1.713 -3.323) 7.464 7.424 ( 0.352 1.247 0.392) 1.354 7.474 ( 2.162 5.374 3.068) 6.555 7.657 ( -3.873 -4.526 0.833) 6.015 7.805 ( -4.289 2.727 -0.488) 5.106 7.859 ( -4.877 -4.597 -0.292) 6.708 7.911 ( -2.790 -0.554 -2.935) 4.087 7.973 ( 1.381 2.817 -1.304) 3.397 8.143 ( -2.520 6.821 -2.865) 7.816 8.311 ( 6.100 -4.532 1.593) 7.764 8.397 ( 3.689 1.390 -1.509) 4.221 8.636 ( -9.263 0.141 -0.757) 9.295 8.654 ( -1.528 -1.012 2.508) 3.106 8.735 ( -4.905 -3.097 -5.105) 7.728 8.811 ( -4.239 1.268 -1.107) 4.561 8.873 ( -2.311 2.126 1.168) 3.351 8.955 ( -1.258 -1.605 1.415) 2.483 8.974 ( 1.470 2.261 0.599) 2.763 9.204 ( 3.059 6.657 1.648) 7.509 9.240 ( 1.505 -3.821 1.990) 4.564 9.304 ( 4.037 -5.625 1.867) 7.171 9.348 ( 5.911 1.838 -2.670) 6.742 9.439 ( 1.584 2.262 -0.485) 2.804 9.590 ( -2.684 -0.364 2.475) 3.669 9.671 ( -4.719 -1.656 1.508) 5.224 9.730 ( -0.313 3.983 -1.300) 4.201 9.790 ( -0.905 -3.695 4.081) 5.579 9.835 ( -3.163 -0.296 0.711) 3.255 9.907 ( -7.533 -0.882 1.782) 7.791 9.948 ( -1.448 -1.237 -0.905) 2.109 10.012 ( -0.686 1.921 -2.809) 3.472 10.058 ( -1.717 3.410 1.845) 4.241 10.165 ( -0.052 -3.900 -3.254) 5.080 10.248 ( 1.989 0.373 -4.413) 4.854 10.319 ( 2.672 -5.695 -2.204) 6.666 10.386 ( -2.082 -3.878 -5.124) 6.755 10.477 ( -1.239 -4.228 -0.103) 4.407 10.534 ( 1.827 -1.589 2.306) 3.344 10.644 ( -5.695 -3.904 0.169) 6.906 10.678 ( 0.624 -3.237 -1.003) 3.446 10.727 ( -0.280 0.504 4.126) 4.166 10.738 ( 3.701 5.025 -1.096) 6.336 10.876 ( -0.808 1.207 -0.666) 1.598 11.072 ( 0.181 -2.118 -4.284) 4.782 11.083 ( -3.092 7.189 -6.366) 10.088 11.183 ( 1.913 -1.166 -1.779) 2.861 11.350 ( 5.085 -0.404 -0.789) 5.161 11.447 ( -1.445 1.367 2.254) 3.006 11.540 ( -0.151 -1.096 -0.817) 1.376 11.597 ( -1.722 -5.111 5.006) 7.358 11.809 ( 2.916 3.726 1.148) 4.868 11.844 ( 1.296 4.616 -4.391) 6.502 11.893 ( -5.612 -3.079 6.496) 9.120 12.018 ( 1.293 -5.002 -5.316) 7.413 12.526 ( -2.118 -7.417 -11.831) 14.124 12.642 ( 2.016 1.673 3.192) 4.129 12.747 ( 1.446 1.951 -9.854) 10.149 13.056 ( -6.250 0.789 8.094) 10.257 13.397 ( -0.960 -4.590 -6.481) 8.000 13.678 ( 3.031 -1.920 -1.428) 3.862 13.759 ( -0.653 -4.747 4.448) 6.538 13.964 ( -4.778 2.817 -4.053) 6.870 14.212 ( 2.060 6.398 2.100) 7.042 14.292 ( 1.565 -2.038 0.039) 2.570 14.398 ( 2.057 -6.712 0.743) 7.060 14.632 ( -2.884 -0.272 9.766) 10.187 14.771 ( -1.213 2.343 0.974) 2.812 14.876 ( 0.545 -0.325 0.555) 0.843 14.918 ( 0.123 -3.917 5.919) 7.099 15.112 ( -2.511 3.526 3.463) 5.543 15.313 ( 0.133 -1.257 -1.482) 1.948 17.099 ( 2.307 5.228 -1.517) 5.912 17.238 ( -1.459 2.854 -0.369) 3.226 17.358 ( -2.446 3.988 -0.499) 4.705 17.467 ( -1.732 -0.368 -3.692) 4.095 17.705 ( -10.400 3.373 0.038) 10.934 18.089 ( 6.876 16.726 -10.309) 20.817 18.485 ( 2.471 -7.356 1.152) 7.845 18.587 ( -1.512 -1.641 0.459) 2.278 18.657 ( -5.772 -4.322 -2.853) 7.755 18.797 ( -3.278 -7.573 0.652) 8.278 19.128 ( -6.015 3.537 -19.012) 20.252 19.245 ( 0.372 3.408 -3.137) 4.647 19.311 ( 2.565 1.902 -1.004) 3.347 19.496 ( -3.424 0.160 -2.429) 4.201 19.617 ( 1.654 -1.341 -0.438) 2.174 19.679 ( 1.362 -1.403 -0.797) 2.112 19.973 ( 13.036 4.043 24.440) 27.992 20.236 ( 6.761 -7.193 3.778) 10.570 20.574 ( 1.956 -0.858 -0.115) 2.139 20.643 ( 1.455 -1.910 1.779) 2.988 20.874 ( 2.579 3.381 1.927) 4.669 20.913 ( 3.777 7.560 2.250) 8.746 21.000 ( 3.531 -0.312 5.545) 6.581 21.397 ( 9.659 -1.720 -3.618) 10.457 22.315 ( -2.367 0.519 -0.345) 2.448 22.374 ( -1.377 0.299 0.597) 1.530 22.394 ( -2.533 -2.547 -0.250) 3.601 22.406 ( -1.588 -0.515 -0.122) 1.674 ======================= Grid point 49 (27/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.280 22.389 -3.696) 22.694 1.071 ( -2.492 20.105 6.442) 21.258 1.374 ( -0.066 -16.202 -10.364) 19.233 1.402 ( -2.435 -13.603 -1.930) 13.954 1.752 ( 4.731 -1.086 -5.427) 7.282 1.804 ( 2.553 -6.505 -4.596) 8.364 1.961 ( -2.983 1.495 0.054) 3.337 1.999 ( -2.051 -2.931 2.038) 4.117 2.154 ( 4.033 15.166 0.513) 15.701 2.286 ( -1.345 -0.744 -2.241) 2.717 2.327 ( -1.199 34.625 7.005) 35.347 2.355 ( 1.829 3.137 -1.173) 3.816 2.372 ( 0.265 0.215 -1.828) 1.859 2.492 ( -1.370 3.200 4.350) 5.571 2.570 ( -1.626 -1.053 2.795) 3.400 2.655 ( 4.585 0.047 5.747) 7.352 2.711 ( 3.199 -5.549 7.115) 9.573 2.892 ( 2.610 2.803 -2.215) 4.425 2.924 ( -2.308 2.803 -4.273) 5.607 2.953 ( -2.736 -0.569 -3.222) 4.266 3.017 ( -2.511 3.617 -2.319) 4.976 3.043 ( -3.101 0.949 -5.093) 6.038 3.094 ( -0.953 -2.719 -2.590) 3.874 3.112 ( -2.256 1.085 0.481) 2.549 3.149 ( 2.789 0.652 0.339) 2.884 3.201 ( -2.129 -8.222 1.217) 8.580 3.221 ( 2.656 -7.893 -0.672) 8.355 3.290 ( -0.263 -14.833 3.986) 15.362 3.318 ( -2.099 -0.477 -0.250) 2.167 3.345 ( 3.911 -6.075 -0.997) 7.293 3.436 ( 1.003 2.154 3.101) 3.906 3.478 ( -1.386 -2.507 2.769) 3.984 3.556 ( -1.324 1.659 4.861) 5.305 3.591 ( -0.351 0.209 2.406) 2.441 3.660 ( 1.000 5.877 -0.841) 6.021 3.713 ( -0.162 4.457 0.323) 4.471 3.776 ( 2.535 1.991 0.177) 3.228 3.807 ( 0.601 -2.761 1.556) 3.226 3.829 ( -2.019 -3.429 2.311) 4.602 3.896 ( -0.972 -4.436 2.143) 5.022 4.037 ( 1.124 5.907 4.348) 7.420 4.090 ( -2.328 7.266 -1.390) 7.755 4.146 ( -3.215 -4.281 4.667) 7.103 4.231 ( -0.163 -1.878 -0.703) 2.012 4.325 ( 2.425 2.831 -7.737) 8.588 4.401 ( 0.335 -4.200 1.302) 4.410 4.472 ( 2.837 1.791 -0.038) 3.355 4.499 ( 3.699 -4.260 -1.420) 5.817 4.530 ( 0.617 -4.909 -0.865) 5.023 4.579 ( 3.686 -3.387 0.010) 5.005 4.724 ( -1.894 1.260 -7.291) 7.638 4.788 ( -3.610 -1.602 -5.280) 6.594 5.089 ( -1.369 1.807 -2.810) 3.611 5.102 ( 1.190 3.402 -0.053) 3.605 5.138 ( 1.944 -2.576 -1.259) 3.464 5.163 ( 0.569 -5.238 -3.101) 6.114 5.248 ( -3.334 3.290 1.975) 5.083 5.318 ( -1.044 -4.730 -0.307) 4.853 5.395 ( 0.079 -0.307 -3.306) 3.321 5.456 ( -0.248 -5.427 -7.452) 9.222 5.584 ( 0.870 1.943 3.588) 4.172 5.650 ( -0.383 -4.054 3.260) 5.216 5.851 ( 1.605 4.094 0.485) 4.424 5.927 ( -0.200 -2.945 -1.051) 3.133 6.015 ( -1.406 3.554 1.287) 4.033 6.065 ( -3.026 2.385 1.973) 4.328 6.093 ( 2.547 2.108 1.795) 3.762 6.132 ( 1.119 1.336 -3.022) 3.489 6.382 ( 0.674 4.900 -1.967) 5.323 6.425 ( -1.130 3.085 -1.993) 3.843 6.486 ( -2.075 -0.764 -5.543) 5.968 6.541 ( -2.721 -2.457 -4.949) 6.159 6.552 ( 2.837 1.598 0.847) 3.365 6.593 ( 2.071 -1.726 0.601) 2.762 6.641 ( 1.346 -0.868 -3.176) 3.557 6.654 ( 0.020 -1.372 -3.011) 3.308 6.895 ( -5.705 2.112 4.110) 7.342 6.939 ( -3.278 -1.280 6.209) 7.137 7.048 ( 0.678 2.197 4.996) 5.500 7.098 ( 2.781 -2.251 4.444) 5.706 7.166 ( 0.154 1.516 8.194) 8.335 7.181 ( -2.293 -0.197 9.921) 10.185 7.530 ( 3.780 4.151 0.187) 5.617 7.584 ( 1.520 -2.268 -0.577) 2.791 7.636 ( 2.110 6.142 -2.155) 6.842 7.730 ( -2.326 -3.010 -1.556) 4.110 7.766 ( 0.454 1.494 4.246) 4.524 7.810 ( -1.001 -2.880 0.578) 3.103 8.081 ( -0.203 5.792 -0.850) 5.858 8.169 ( -3.592 -0.885 -3.616) 5.173 8.351 ( -0.086 1.328 -0.962) 1.642 8.426 ( -2.283 -5.806 -4.083) 7.456 8.511 ( 3.648 1.748 1.482) 4.308 8.561 ( 1.005 -3.036 1.518) 3.540 8.668 ( 0.639 2.970 -1.043) 3.212 8.712 ( -0.829 -1.023 -5.617) 5.769 8.903 ( 0.378 5.083 -1.635) 5.353 9.009 ( 3.431 -4.815 -2.497) 6.418 9.037 ( -0.409 1.406 2.854) 3.208 9.084 ( -3.163 -3.433 2.832) 5.460 9.292 ( -2.519 2.080 4.848) 5.846 9.342 ( -1.126 -3.455 8.779) 9.501 9.454 ( -0.544 2.711 1.569) 3.179 9.489 ( 0.362 -0.107 1.617) 1.660 9.563 ( -1.006 2.961 -0.233) 3.136 9.589 ( -5.442 -0.545 0.607) 5.503 9.720 ( 1.625 1.050 3.841) 4.301 9.737 ( -0.861 -2.608 5.073) 5.769 9.836 ( 3.671 2.662 -2.577) 5.216 9.876 ( 2.912 -0.002 -3.565) 4.603 9.997 ( 1.336 3.165 0.849) 3.538 10.006 ( -0.967 3.392 -5.688) 6.693 10.044 ( -3.324 0.853 -2.695) 4.363 10.092 ( 1.321 -5.670 -2.704) 6.419 10.208 ( 0.180 -3.107 -2.676) 4.105 10.222 ( 1.020 -4.388 -3.096) 5.466 10.379 ( 0.327 3.636 -4.561) 5.842 10.398 ( -0.623 5.357 0.685) 5.437 10.473 ( 0.808 -5.444 -4.690) 7.230 10.531 ( -0.691 -8.586 -0.119) 8.614 10.687 ( -0.759 2.492 8.117) 8.525 10.726 ( -2.404 -0.924 4.252) 4.972 10.851 ( 0.679 1.586 -1.012) 2.000 10.876 ( 0.956 -1.239 -1.160) 1.948 11.031 ( 2.372 3.803 -6.104) 7.573 11.098 ( 3.172 -3.303 -2.110) 5.042 11.324 ( 1.090 6.815 1.517) 7.066 11.396 ( -2.067 1.762 -0.207) 2.724 11.474 ( -0.599 2.365 -0.355) 2.465 11.497 ( -1.771 -1.520 3.670) 4.349 11.585 ( 3.778 -1.258 2.773) 4.852 11.674 ( -5.380 -6.890 3.186) 9.304 11.854 ( -1.405 1.912 -2.644) 3.552 11.918 ( 1.818 -5.426 -1.844) 6.012 12.064 ( 2.410 11.150 -5.792) 12.793 12.256 ( 1.596 -9.825 -11.300) 15.059 12.687 ( -2.020 3.640 -0.599) 4.206 12.741 ( 0.943 -1.395 -2.782) 3.252 13.156 ( -0.433 8.272 3.777) 9.104 13.314 ( 1.088 -7.898 -0.312) 7.978 13.708 ( 0.119 -0.234 3.261) 3.272 13.730 ( 0.909 -1.960 2.899) 3.615 13.970 ( -0.022 6.067 -4.657) 7.648 14.106 ( -0.857 -8.480 -5.509) 10.149 14.384 ( 0.783 5.198 4.349) 6.822 14.438 ( 1.855 -1.118 4.367) 4.875 14.669 ( -1.466 3.645 7.303) 8.293 14.756 ( -0.714 -4.179 2.585) 4.966 14.859 ( -2.483 -0.409 3.870) 4.616 14.865 ( -0.809 -0.573 2.128) 2.348 15.190 ( 0.321 5.356 -0.009) 5.366 15.273 ( 0.899 -3.649 -0.707) 3.825 17.238 ( 1.896 4.997 -0.324) 5.355 17.279 ( -0.295 4.588 -1.107) 4.729 17.321 ( 0.051 -3.383 -0.272) 3.394 17.368 ( 0.413 -4.681 -1.266) 4.867 17.865 ( -0.163 19.980 2.208) 20.102 18.176 ( -0.931 -7.592 -6.890) 10.294 18.455 ( -3.769 -2.567 -0.225) 4.566 18.468 ( 0.490 -2.241 -0.431) 2.334 18.599 ( 0.737 1.013 2.163) 2.500 18.652 ( 3.034 -6.918 5.612) 9.411 19.077 ( -3.012 10.648 -17.293) 20.531 19.228 ( -1.882 -5.174 -8.899) 10.464 19.379 ( 1.338 2.882 -0.815) 3.280 19.429 ( 1.647 -1.568 -3.389) 4.081 19.620 ( 1.236 -0.207 -1.061) 1.642 19.642 ( 0.478 -2.345 -1.472) 2.809 20.224 ( 0.545 -1.432 9.028) 9.157 20.249 ( 2.541 -4.947 12.053) 13.274 20.589 ( 1.051 0.339 0.298) 1.144 20.613 ( -0.187 -2.048 0.288) 2.076 20.945 ( -2.977 3.568 0.303) 4.657 20.985 ( -2.492 -0.401 -0.339) 2.546 21.190 ( 1.261 9.882 2.663) 10.311 21.375 ( 1.635 -9.476 -2.236) 9.872 22.315 ( 0.600 0.915 0.563) 1.231 22.332 ( 0.174 -0.946 0.467) 1.069 22.364 ( -0.580 0.648 -0.377) 0.948 22.377 ( -0.335 -0.755 -0.346) 0.895 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.115 14.785 -2.827) 17.101 1.224 ( 9.643 3.332 5.301) 11.497 1.330 ( 6.250 1.213 -3.337) 7.188 1.491 ( 9.623 -8.020 -3.321) 12.960 1.805 ( 5.707 -3.440 -8.041) 10.443 1.828 ( 6.774 -3.612 -7.518) 10.745 2.004 ( 4.157 2.020 3.483) 5.787 2.044 ( 0.965 -2.232 5.820) 6.308 2.189 ( 0.406 2.567 -8.186) 8.588 2.260 ( 0.670 3.906 -2.779) 4.840 2.274 ( 3.320 4.285 -2.291) 5.884 2.421 ( 2.485 -1.476 -1.203) 3.130 2.513 ( 2.318 7.948 3.781) 9.101 2.557 ( 7.081 16.784 5.192) 18.942 2.573 ( -0.377 -1.826 0.382) 1.904 2.709 ( -1.344 0.890 0.120) 1.616 2.791 ( -7.043 3.863 -2.725) 8.483 2.797 ( -1.564 -1.325 3.759) 4.281 2.841 ( -6.639 -0.682 -0.815) 6.724 2.883 ( -1.972 -3.038 1.570) 3.947 2.938 ( -3.520 3.757 -0.690) 5.194 2.991 ( -2.342 0.669 -1.868) 3.070 3.078 ( 7.487 1.707 3.095) 8.279 3.145 ( 5.914 1.538 -2.197) 6.494 3.150 ( -1.978 -4.838 0.098) 5.228 3.211 ( -0.898 1.030 0.539) 1.469 3.247 ( -0.121 -0.922 0.058) 0.932 3.328 ( 4.238 -1.552 -0.677) 4.563 3.352 ( 5.923 -3.315 5.039) 8.453 3.445 ( 5.920 -6.084 -1.642) 8.646 3.500 ( 2.576 0.726 2.560) 3.704 3.549 ( -0.288 2.181 3.047) 3.758 3.587 ( 9.270 -12.410 8.763) 17.797 3.614 ( 0.222 -2.426 2.133) 3.238 3.690 ( -1.586 5.006 -1.256) 5.400 3.703 ( 3.649 8.485 -1.248) 9.320 3.724 ( -3.886 1.915 1.739) 4.668 3.818 ( 3.001 0.675 0.465) 3.111 3.934 ( 2.393 -2.870 4.045) 5.507 3.956 ( 6.762 -5.575 4.896) 10.039 4.071 ( -0.026 0.395 4.332) 4.350 4.109 ( 4.275 4.609 -6.217) 8.841 4.156 ( 0.948 -1.595 3.221) 3.717 4.211 ( 0.991 2.369 -3.150) 4.064 4.309 ( 0.688 3.000 -5.120) 5.974 4.414 ( -1.754 -1.378 3.796) 4.403 4.507 ( -0.138 -9.657 -1.743) 9.814 4.517 ( 2.607 4.483 -2.046) 5.574 4.546 ( 1.847 -4.201 -4.349) 6.323 4.647 ( -0.632 2.764 -9.410) 9.828 4.668 ( 4.107 -7.940 2.272) 9.224 4.707 ( -1.997 -1.708 -5.132) 5.766 5.055 ( -0.824 -0.639 -7.372) 7.446 5.088 ( -4.998 -4.885 -7.912) 10.557 5.128 ( 3.659 6.258 2.446) 7.651 5.182 ( 0.142 -2.135 -0.076) 2.141 5.195 ( -1.751 2.894 0.599) 3.435 5.301 ( -0.245 -7.540 3.095) 8.154 5.361 ( -0.651 0.061 -3.029) 3.099 5.422 ( 1.689 -4.889 -5.855) 7.812 5.599 ( -3.462 3.394 6.088) 7.783 5.647 ( -1.223 -0.774 0.500) 1.531 5.812 ( -4.498 -0.471 -1.106) 4.656 5.847 ( -6.611 -3.412 -1.793) 7.652 5.974 ( -4.152 3.504 3.286) 6.349 6.000 ( -5.727 0.941 2.967) 6.519 6.104 ( -3.499 4.647 -0.820) 5.874 6.143 ( -0.957 0.700 -0.273) 1.216 6.307 ( -6.119 4.990 -0.530) 7.913 6.377 ( -2.569 4.902 -1.464) 5.725 6.389 ( -4.901 -1.458 1.341) 5.287 6.453 ( -2.761 -1.325 -1.212) 3.294 6.542 ( -1.227 0.252 -2.488) 2.786 6.577 ( -1.595 -4.057 -0.662) 4.409 6.657 ( 1.251 2.817 -4.187) 5.199 6.730 ( 0.896 -3.028 0.476) 3.193 6.799 ( -0.808 2.426 2.601) 3.647 6.855 ( -3.984 -3.797 2.246) 5.944 7.124 ( -0.033 3.577 6.361) 7.297 7.132 ( -3.976 3.501 8.810) 10.280 7.223 ( 0.781 3.107 5.072) 5.999 7.275 ( 5.105 -3.619 1.349) 6.401 7.562 ( -2.207 3.344 2.422) 4.682 7.596 ( -3.638 4.396 0.288) 5.713 7.642 ( 4.016 -3.045 0.486) 5.063 7.695 ( 0.180 -4.875 -3.122) 5.792 7.872 ( 5.205 2.765 0.457) 5.912 7.907 ( 8.605 -0.896 1.597) 8.798 8.031 ( -1.690 2.483 -0.878) 3.129 8.073 ( -2.078 -1.027 -2.148) 3.160 8.281 ( -2.184 3.808 -3.657) 5.714 8.336 ( -2.476 -1.716 -3.611) 4.703 8.643 ( 4.936 1.179 1.170) 5.207 8.667 ( 5.592 -0.513 -0.576) 5.645 8.763 ( 6.982 0.662 -0.245) 7.017 8.768 ( 9.493 -1.212 -0.070) 9.570 8.868 ( -0.550 2.683 -3.161) 4.182 8.935 ( -7.077 -3.839 -2.939) 8.571 9.011 ( -2.508 2.892 4.215) 5.694 9.102 ( -0.270 -4.855 -0.083) 4.864 9.264 ( -2.574 5.254 4.367) 7.301 9.348 ( -2.161 -2.453 7.969) 8.613 9.483 ( 3.317 0.334 0.339) 3.351 9.495 ( 2.321 1.738 -0.035) 2.900 9.554 ( -1.071 0.415 2.550) 2.796 9.583 ( -0.724 -1.277 4.581) 4.810 9.706 ( -3.180 0.854 -0.598) 3.346 9.746 ( -2.691 -2.175 1.419) 3.739 9.885 ( 1.406 4.899 -3.006) 5.918 9.954 ( 5.878 4.645 -3.977) 8.482 9.989 ( 1.771 -3.983 -1.033) 4.479 9.999 ( 2.739 0.458 -3.856) 4.752 10.051 ( 3.009 0.154 2.317) 3.801 10.109 ( 2.205 -5.560 -2.946) 6.667 10.183 ( 0.251 -0.456 -1.204) 1.311 10.232 ( 2.813 -5.010 -2.179) 6.145 10.349 ( 0.634 3.612 -5.661) 6.745 10.371 ( -3.335 3.140 3.240) 5.611 10.459 ( -0.107 -3.358 -5.920) 6.807 10.529 ( -0.652 -7.603 -0.423) 7.643 10.689 ( -1.392 1.838 1.669) 2.847 10.713 ( -2.044 -0.499 7.002) 7.311 10.849 ( -0.212 1.643 -0.926) 1.898 10.896 ( 1.142 -3.218 -1.147) 3.602 11.061 ( 4.288 5.204 -4.688) 8.213 11.150 ( 3.332 -4.380 -3.114) 6.323 11.292 ( -6.872 5.378 1.140) 8.800 11.319 ( -3.938 3.555 2.893) 6.043 11.472 ( -0.691 -0.297 -0.335) 0.824 11.516 ( 1.125 -4.301 2.357) 5.032 11.589 ( -1.772 1.737 1.361) 2.830 11.667 ( -0.029 -6.559 3.652) 7.507 11.825 ( 1.249 5.733 -2.171) 6.256 11.946 ( 1.555 -6.573 -0.528) 6.775 12.082 ( 3.086 8.887 -5.222) 10.759 12.248 ( 4.813 -8.822 -10.571) 14.585 12.624 ( -3.918 6.858 -1.899) 8.123 12.749 ( 1.461 -5.252 -2.571) 6.027 13.174 ( -0.657 7.448 4.507) 8.730 13.330 ( 0.928 -8.345 0.298) 8.402 13.686 ( -3.137 0.241 1.755) 3.602 13.732 ( -2.080 -4.196 3.272) 5.714 13.984 ( 3.095 4.240 -3.876) 6.526 14.080 ( 0.608 -5.996 -3.765) 7.106 14.408 ( -0.739 5.991 3.671) 7.065 14.475 ( -0.228 -1.342 3.017) 3.310 14.699 ( -0.115 2.596 5.450) 6.038 14.759 ( -1.012 -3.025 2.309) 3.938 14.844 ( -0.389 2.009 2.289) 3.070 14.878 ( 0.011 -2.042 3.600) 4.139 15.207 ( 1.406 5.361 -0.108) 5.543 15.291 ( 1.433 -3.712 -0.782) 4.055 17.233 ( -0.295 5.697 -1.284) 5.847 17.305 ( 1.981 0.411 0.407) 2.064 17.348 ( 3.865 2.611 -1.704) 4.965 17.441 ( 6.060 -4.736 -0.386) 7.701 17.893 ( 1.499 16.023 2.954) 16.362 18.082 ( -3.317 3.442 -6.749) 8.270 18.365 ( -5.833 -3.962 1.627) 7.236 18.443 ( -2.555 -6.549 -0.030) 7.030 18.664 ( 4.959 3.619 0.964) 6.214 18.779 ( 5.141 -9.816 3.710) 11.686 18.968 ( 1.747 7.713 -10.993) 13.542 19.119 ( -2.109 -8.466 -9.571) 12.951 19.406 ( 2.471 5.130 -0.750) 5.743 19.481 ( 4.755 -2.194 -1.372) 5.414 19.621 ( -0.184 0.444 -1.148) 1.245 19.640 ( 0.539 -1.832 -1.586) 2.482 20.226 ( -4.774 1.491 7.622) 9.117 20.307 ( -2.849 -7.040 8.834) 11.650 20.583 ( -2.656 0.334 -0.364) 2.702 20.609 ( -1.138 -2.644 1.283) 3.151 20.847 ( -6.890 4.823 0.133) 8.411 20.906 ( -5.846 -1.641 0.592) 6.101 21.168 ( -4.906 8.772 1.585) 10.175 21.322 ( -5.563 -7.393 -1.918) 9.449 22.348 ( 1.520 0.763 -0.075) 1.702 22.360 ( 2.565 0.331 0.202) 2.594 22.370 ( 1.445 -0.376 0.163) 1.502 22.384 ( 1.788 -1.076 -0.120) 2.090 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 9.368 7.889 -3.192) 12.656 1.386 ( 6.908 -11.084 0.724) 13.081 1.513 ( 8.293 12.408 -0.513) 14.933 1.653 ( 9.950 2.916 1.715) 10.509 1.850 ( 4.188 -1.851 -1.301) 4.760 1.967 ( 3.191 -9.356 3.564) 10.508 2.046 ( 9.099 4.851 -5.369) 11.626 2.107 ( 3.335 0.636 2.616) 4.286 2.246 ( 3.575 1.079 -2.504) 4.496 2.282 ( 6.126 -2.790 -4.722) 8.222 2.342 ( 4.494 2.261 -1.684) 5.305 2.396 ( -2.285 -2.315 -3.740) 4.956 2.439 ( -8.755 0.974 -1.727) 8.976 2.472 ( -8.436 -0.849 -1.365) 8.587 2.590 ( -2.800 4.711 -2.520) 6.032 2.668 ( -4.292 2.619 -4.740) 6.910 2.698 ( -5.030 -2.125 -1.971) 5.805 2.735 ( -6.462 -2.805 -3.982) 8.092 2.805 ( 5.361 0.160 3.093) 6.191 2.822 ( 5.674 -2.031 3.798) 7.123 3.012 ( 1.398 3.768 2.373) 4.667 3.053 ( 5.583 1.124 4.938) 7.538 3.134 ( -1.942 0.282 -0.502) 2.026 3.155 ( 2.270 -0.814 -1.454) 2.816 3.182 ( -4.613 0.630 1.687) 4.952 3.263 ( 6.835 -7.282 4.635) 11.011 3.379 ( 11.224 8.676 7.720) 16.151 3.412 ( 4.967 3.235 2.755) 6.537 3.505 ( -0.125 -0.039 2.099) 2.103 3.523 ( 3.823 -2.017 0.891) 4.413 3.545 ( 0.394 4.076 -0.983) 4.212 3.579 ( 2.792 1.540 -0.309) 3.204 3.660 ( 3.764 5.110 2.532) 6.833 3.664 ( 4.827 6.623 2.296) 8.511 3.693 ( 4.086 2.085 -1.715) 4.898 3.740 ( 2.131 5.444 1.425) 6.017 3.883 ( 4.102 -4.713 -0.080) 6.249 3.889 ( 4.576 -2.224 3.819) 6.362 4.010 ( 2.730 -1.656 0.249) 3.203 4.053 ( -2.360 -3.969 0.598) 4.656 4.094 ( 3.276 -1.599 4.391) 5.707 4.132 ( 5.915 -6.404 9.226) 12.693 4.192 ( 2.117 10.091 -2.667) 10.650 4.296 ( 4.340 2.807 -6.421) 8.243 4.303 ( 4.865 -1.294 -4.180) 6.543 4.393 ( -2.851 2.962 3.838) 5.625 4.453 ( -3.996 -10.007 -4.674) 11.745 4.512 ( -0.864 -0.106 -1.935) 2.122 4.588 ( 6.655 6.256 -3.161) 9.665 4.601 ( 0.811 -1.526 -7.120) 7.327 4.667 ( 3.195 -4.287 -2.799) 6.034 4.742 ( 2.627 -10.436 -1.710) 10.896 4.918 ( -3.392 0.810 -9.196) 9.835 5.005 ( 0.440 -5.175 -8.331) 9.817 5.126 ( -5.201 -1.486 0.659) 5.449 5.133 ( -3.524 -0.017 -1.977) 4.041 5.269 ( 5.449 5.235 5.190) 9.167 5.332 ( -1.267 3.946 1.218) 4.320 5.360 ( 1.522 -2.484 0.153) 2.917 5.435 ( -0.291 -3.223 -1.026) 3.395 5.537 ( -3.021 5.067 1.375) 6.057 5.625 ( -1.283 -0.105 -0.344) 1.332 5.701 ( -5.770 -4.793 -2.031) 7.771 5.719 ( -5.279 -4.482 2.858) 7.492 5.912 ( -4.860 0.309 3.099) 5.773 5.915 ( -5.634 0.909 3.158) 6.522 5.975 ( -8.601 4.190 -0.088) 9.568 6.027 ( -8.670 -1.028 -1.939) 8.943 6.177 ( -7.804 5.599 0.849) 9.642 6.278 ( -7.406 -5.178 1.842) 9.223 6.366 ( -2.528 6.333 2.654) 7.318 6.443 ( -0.122 -2.117 0.668) 2.223 6.531 ( 1.041 0.246 -2.389) 2.618 6.562 ( 1.060 -2.794 -0.394) 3.014 6.618 ( -0.967 0.753 -1.734) 2.123 6.664 ( -2.544 -3.390 -0.768) 4.308 6.858 ( 2.823 2.587 1.583) 4.143 6.892 ( 2.317 -0.906 2.628) 3.619 7.082 ( -5.176 3.498 3.361) 7.094 7.099 ( -5.703 1.899 4.170) 7.316 7.254 ( 1.399 4.146 -1.403) 4.595 7.323 ( 1.445 -3.186 -2.906) 4.548 7.523 ( -4.142 3.514 3.407) 6.412 7.560 ( -0.830 0.280 4.197) 4.288 7.673 ( -1.131 -1.579 0.228) 1.956 7.722 ( 2.977 -5.162 0.963) 6.036 7.908 ( 1.589 2.444 0.109) 2.918 7.955 ( -0.467 -2.154 -2.014) 2.986 8.103 ( 5.734 3.763 0.997) 6.930 8.148 ( 7.501 -0.915 -0.586) 7.579 8.261 ( 1.668 3.583 -2.441) 4.646 8.299 ( 0.168 -0.363 -2.634) 2.664 8.644 ( -3.180 2.508 -1.626) 4.364 8.686 ( -3.864 -2.449 -1.032) 4.689 8.806 ( 0.518 1.253 2.052) 2.459 8.840 ( 1.244 -1.468 -0.420) 1.970 8.952 ( 8.190 1.504 2.272) 8.632 8.971 ( 5.689 2.350 0.571) 6.182 9.030 ( 2.276 -0.011 1.827) 2.919 9.078 ( -0.487 -3.559 1.382) 3.848 9.253 ( -0.223 6.697 -0.680) 6.735 9.357 ( -0.601 -2.595 -0.083) 2.665 9.520 ( 0.240 1.191 1.473) 1.909 9.536 ( -1.261 0.556 0.241) 1.399 9.566 ( 0.547 2.903 3.211) 4.364 9.612 ( -0.446 0.394 6.686) 6.713 9.639 ( -2.602 -1.002 -1.661) 3.245 9.683 ( -1.525 -5.988 -1.301) 6.314 9.853 ( -0.944 4.577 -2.728) 5.411 9.981 ( 1.563 -4.995 -4.537) 6.927 10.016 ( -0.058 2.673 -4.322) 5.082 10.061 ( 0.543 1.429 1.117) 1.893 10.109 ( 4.909 -1.359 0.988) 5.188 10.129 ( 4.177 -4.457 -0.966) 6.184 10.254 ( 2.245 1.690 0.909) 2.953 10.305 ( 4.136 -2.868 0.822) 5.100 10.321 ( -0.667 3.118 -0.227) 3.196 10.380 ( 3.913 -0.541 -0.680) 4.009 10.397 ( -0.007 -0.586 -4.961) 4.995 10.484 ( -1.719 -4.799 -2.076) 5.504 10.696 ( 0.302 0.005 0.394) 0.497 10.719 ( -1.244 -1.850 2.705) 3.505 10.837 ( -0.219 2.808 0.180) 2.823 10.899 ( 0.558 -3.478 -1.254) 3.739 11.092 ( -2.143 3.863 -1.611) 4.702 11.125 ( -1.043 1.521 -4.087) 4.484 11.215 ( -6.913 0.301 2.602) 7.393 11.239 ( -1.258 -1.863 2.625) 3.456 11.469 ( 0.878 2.831 -0.582) 3.020 11.538 ( -0.200 -3.241 1.496) 3.576 11.614 ( 2.024 2.172 2.158) 3.670 11.663 ( -0.684 -2.448 0.600) 2.611 11.868 ( 3.044 3.910 0.102) 4.956 11.971 ( 0.866 -4.910 1.823) 5.309 12.098 ( 1.913 7.970 -4.830) 9.514 12.280 ( 5.213 -9.947 -9.134) 14.475 12.536 ( -4.172 10.136 -0.650) 10.980 12.753 ( 0.757 -10.978 -2.020) 11.188 13.169 ( -2.868 6.573 2.883) 7.729 13.338 ( -0.408 -10.225 -1.062) 10.289 13.664 ( 0.696 1.084 0.617) 1.429 13.728 ( -0.042 -5.604 2.193) 6.018 14.002 ( 0.712 2.758 -1.423) 3.184 14.062 ( -0.997 -3.606 -0.730) 3.811 14.401 ( -1.829 5.883 1.291) 6.294 14.468 ( -1.450 -1.209 -0.547) 1.966 14.730 ( 0.190 2.034 4.039) 4.526 14.757 ( -0.496 -0.483 2.787) 2.871 14.872 ( 1.270 1.746 1.839) 2.836 14.903 ( 0.351 -1.789 2.498) 3.093 15.234 ( 1.575 4.935 -0.358) 5.193 15.312 ( 1.345 -3.250 -1.062) 3.674 17.232 ( 0.695 9.889 -0.303) 9.918 17.363 ( 3.800 -3.360 0.349) 5.084 17.396 ( 2.143 8.676 -1.394) 9.045 17.529 ( 3.374 -3.913 -1.045) 5.272 17.959 ( 3.801 7.720 2.064) 8.849 18.021 ( 0.788 5.933 -2.787) 6.602 18.276 ( -4.674 -6.837 1.357) 8.393 18.368 ( -5.921 -11.115 0.374) 12.600 18.774 ( 5.842 3.398 -0.075) 6.759 18.847 ( 2.093 -3.841 -0.773) 4.442 19.000 ( 5.704 0.148 -3.212) 6.548 19.065 ( 0.870 -5.791 -3.999) 7.092 19.452 ( 3.503 6.724 -3.482) 8.344 19.537 ( 2.171 -1.229 -4.641) 5.269 19.635 ( 1.412 -0.206 -0.398) 1.482 19.650 ( 2.814 -2.431 0.795) 3.803 20.168 ( -6.195 4.498 5.262) 9.290 20.283 ( -4.404 -7.010 3.923) 9.161 20.513 ( -3.839 2.315 -0.145) 4.485 20.566 ( -4.054 -3.490 2.682) 5.985 20.738 ( -4.987 4.377 2.230) 7.000 20.796 ( -6.581 -2.107 2.140) 7.234 21.054 ( -6.982 6.974 -0.673) 9.891 21.173 ( -8.209 -5.699 -2.746) 10.364 22.370 ( 1.513 0.921 -0.362) 1.808 22.390 ( 1.146 -1.178 -0.222) 1.659 22.422 ( 2.916 0.490 0.590) 3.015 22.433 ( 2.630 -0.771 0.157) 2.745 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 3.886 3.617 -1.237) 5.451 1.405 ( -0.166 -4.131 -1.421) 4.372 1.723 ( 10.397 3.038 -0.295) 10.836 1.785 ( 3.357 -2.754 1.862) 4.724 1.976 ( 2.796 2.901 6.266) 7.450 2.017 ( 4.767 -1.709 6.334) 8.109 2.115 ( -7.071 3.667 -5.586) 9.729 2.174 ( -8.697 -1.017 -4.041) 9.644 2.205 ( 1.759 3.938 6.171) 7.529 2.305 ( 4.625 -0.961 0.997) 4.828 2.351 ( 0.779 -3.108 0.156) 3.208 2.368 ( 8.290 -4.459 0.563) 9.429 2.424 ( 5.100 0.985 -0.656) 5.236 2.460 ( 1.604 -2.137 1.580) 3.104 2.513 ( -2.056 1.149 -3.338) 4.085 2.580 ( -3.339 -3.453 -1.876) 5.157 2.642 ( 3.898 2.679 -3.016) 5.610 2.709 ( 2.913 -3.775 -0.247) 4.775 2.889 ( 0.489 3.507 1.337) 3.785 2.947 ( 4.440 -1.222 2.413) 5.199 2.991 ( -2.517 2.290 -1.050) 3.561 3.047 ( -2.187 -2.450 -0.685) 3.355 3.079 ( -4.184 2.326 0.985) 4.888 3.149 ( -1.118 -4.427 -0.460) 4.589 3.247 ( 3.167 6.611 1.733) 7.532 3.372 ( 0.519 -4.971 2.044) 5.400 3.447 ( -2.961 5.290 0.913) 6.131 3.494 ( -2.169 0.513 1.368) 2.615 3.516 ( -2.101 1.185 -2.504) 3.477 3.553 ( 2.153 -0.089 -0.832) 2.310 3.585 ( -0.010 1.823 -0.799) 1.991 3.620 ( 7.029 0.161 3.549) 7.875 3.683 ( 0.050 5.018 -2.071) 5.429 3.725 ( -1.952 4.327 -0.840) 4.821 3.765 ( 5.362 -1.111 -2.341) 5.955 3.848 ( -2.060 -2.901 1.044) 3.708 3.923 ( 3.568 8.052 4.054) 9.695 3.976 ( 7.374 0.159 5.452) 9.172 3.999 ( -0.490 0.653 -7.731) 7.774 4.047 ( -0.773 -1.342 -1.353) 2.056 4.096 ( -4.195 4.591 -1.347) 6.363 4.158 ( -6.489 2.436 -2.054) 7.229 4.242 ( -0.140 0.522 0.742) 0.918 4.298 ( -3.116 4.860 -2.007) 6.113 4.360 ( 1.231 -3.737 3.709) 5.407 4.402 ( 4.616 -9.348 3.410) 10.968 4.482 ( 8.553 5.103 -2.419) 10.249 4.535 ( 4.875 1.538 5.215) 7.303 4.602 ( 4.361 -4.749 1.052) 6.532 4.665 ( -5.942 -7.572 -6.171) 11.433 4.749 ( 10.601 5.962 -2.259) 12.371 4.809 ( 9.891 -1.327 -1.160) 10.047 4.932 ( 6.652 2.854 -3.217) 7.921 4.960 ( -3.779 1.080 -0.931) 4.039 5.054 ( 0.854 -1.143 -4.843) 5.049 5.070 ( 0.538 -3.664 -3.376) 5.011 5.211 ( -6.270 2.787 0.847) 6.914 5.308 ( -7.931 -6.236 -1.966) 10.279 5.343 ( -1.354 4.989 0.710) 5.218 5.420 ( 0.882 -2.736 3.708) 4.692 5.564 ( -2.677 2.091 -1.631) 3.768 5.594 ( 1.903 3.314 2.957) 4.832 5.632 ( -4.093 -3.006 -1.645) 5.338 5.700 ( 0.973 -5.382 3.547) 6.519 5.821 ( -4.300 -0.717 -2.452) 5.001 5.823 ( -3.859 -1.749 -0.781) 4.308 5.886 ( -1.762 1.556 3.678) 4.364 5.916 ( -0.714 -0.987 3.480) 3.687 6.063 ( -5.005 4.729 2.141) 7.211 6.163 ( -5.412 -5.863 1.166) 8.064 6.314 ( -3.274 3.609 -0.536) 4.902 6.380 ( -4.612 -3.708 -1.270) 6.053 6.553 ( 1.701 1.835 0.477) 2.548 6.591 ( 1.931 -2.554 -0.468) 3.236 6.637 ( 2.410 1.449 0.083) 2.813 6.668 ( 2.027 -2.075 -0.762) 2.999 6.892 ( -0.034 2.443 1.051) 2.660 6.919 ( -0.768 -0.570 2.351) 2.539 6.993 ( -4.844 2.796 -0.207) 5.597 7.036 ( -2.583 -1.385 0.754) 3.026 7.273 ( 2.268 4.465 -0.536) 5.037 7.332 ( 1.623 -0.487 -1.432) 2.219 7.478 ( -3.123 3.205 3.157) 5.476 7.551 ( -3.253 -3.732 2.417) 5.509 7.680 ( 0.517 2.599 4.461) 5.189 7.771 ( 1.336 -5.256 3.017) 6.206 7.948 ( 0.149 -0.691 -0.974) 1.203 7.952 ( 2.175 -0.933 -0.789) 2.495 8.160 ( 0.575 5.758 0.034) 5.787 8.241 ( 1.754 -2.628 -1.056) 3.331 8.288 ( 2.583 2.084 -2.491) 4.150 8.298 ( 2.500 0.996 -3.074) 4.085 8.593 ( -1.216 0.825 1.018) 1.787 8.621 ( -1.768 -2.266 2.320) 3.694 8.835 ( -0.073 3.299 4.849) 5.865 8.882 ( 0.417 -1.379 3.729) 3.998 9.016 ( 0.527 2.036 0.098) 2.105 9.037 ( -0.365 0.909 -0.229) 1.006 9.083 ( 3.394 2.015 0.916) 4.052 9.124 ( 1.778 -2.420 -2.126) 3.679 9.245 ( 0.712 4.473 -2.729) 5.288 9.318 ( -1.075 -0.989 -5.056) 5.263 9.487 ( -1.907 -1.059 -5.341) 5.769 9.516 ( -0.619 -2.561 -2.336) 3.521 9.559 ( -0.764 2.162 0.372) 2.323 9.622 ( 0.226 -2.039 6.112) 6.447 9.657 ( 0.158 0.596 4.905) 4.944 9.680 ( -0.767 0.404 5.956) 6.019 9.832 ( -0.602 2.081 -0.274) 2.184 9.948 ( -0.980 -7.793 -3.704) 8.684 9.995 ( 0.740 4.070 -5.868) 7.179 10.041 ( -0.423 -1.258 -3.617) 3.853 10.195 ( 2.234 1.315 1.958) 3.248 10.204 ( -1.030 0.124 4.228) 4.354 10.275 ( 2.398 1.855 0.594) 3.090 10.312 ( 3.283 1.260 -3.965) 5.300 10.337 ( -0.122 -2.217 1.126) 2.490 10.382 ( 0.943 -4.039 0.161) 4.150 10.498 ( 2.440 1.105 -2.437) 3.621 10.512 ( 5.616 -0.719 0.585) 5.692 10.682 ( -0.475 -0.689 -1.409) 1.639 10.691 ( -1.542 -1.587 -1.170) 2.503 10.870 ( 2.692 2.229 1.944) 4.000 10.928 ( 2.854 -3.443 0.871) 4.556 10.979 ( -6.076 3.283 -1.011) 6.980 11.040 ( -6.840 -2.601 0.236) 7.322 11.168 ( -0.208 4.819 -0.384) 4.838 11.243 ( -0.398 -3.410 1.025) 3.583 11.490 ( 1.125 3.441 0.761) 3.700 11.538 ( -0.394 -0.940 0.922) 1.374 11.645 ( 0.011 2.046 0.273) 2.064 11.672 ( 0.873 -0.936 1.021) 1.637 11.914 ( 1.584 2.479 0.164) 2.947 11.992 ( -0.988 -5.057 3.252) 6.093 12.093 ( 1.295 10.373 -4.887) 11.540 12.321 ( 5.083 -11.447 -7.309) 14.502 12.492 ( -0.543 11.616 2.513) 11.897 12.764 ( 1.731 -14.055 -1.016) 14.198 13.113 ( -3.670 5.940 0.367) 6.992 13.302 ( -1.421 -12.415 -3.937) 13.101 13.700 ( 1.910 0.342 -0.036) 1.941 13.740 ( -0.661 -3.789 0.631) 3.897 14.010 ( 0.679 1.419 1.947) 2.503 14.045 ( -0.760 -2.397 1.949) 3.181 14.363 ( -1.976 5.328 -1.530) 5.886 14.423 ( -1.655 -1.040 -3.634) 4.127 14.752 ( -0.643 2.526 3.520) 4.379 14.774 ( -0.105 0.553 3.158) 3.208 14.896 ( 0.260 1.025 0.945) 1.418 14.915 ( -0.495 -1.137 1.380) 1.855 15.254 ( 0.775 4.452 -0.448) 4.541 15.324 ( 0.719 -2.798 -1.280) 3.160 17.248 ( 0.326 13.366 1.638) 13.470 17.410 ( 0.888 6.732 -1.681) 6.995 17.427 ( 1.863 0.078 0.972) 2.103 17.557 ( 1.038 -2.383 -1.489) 2.995 18.048 ( 2.667 0.362 1.658) 3.161 18.071 ( 6.307 -1.725 0.350) 6.548 18.210 ( -3.182 -5.391 -0.416) 6.274 18.249 ( -6.633 -9.010 1.135) 11.246 18.842 ( 1.627 3.186 0.841) 3.674 18.895 ( 2.809 -2.432 0.093) 3.716 19.083 ( 2.576 -2.200 -0.618) 3.444 19.091 ( 4.171 -3.023 0.705) 5.200 19.473 ( 2.625 5.479 -7.769) 9.863 19.529 ( 1.655 -0.333 -6.749) 6.957 19.651 ( 0.868 2.203 0.038) 2.368 19.723 ( 2.855 -4.261 -0.866) 5.202 20.061 ( -7.476 5.996 2.309) 9.858 20.182 ( -7.447 -6.013 -0.139) 9.573 20.474 ( -1.132 3.759 2.725) 4.778 20.535 ( -1.919 -2.595 4.354) 5.420 20.698 ( -2.001 1.595 3.510) 4.343 20.719 ( -1.820 -0.510 1.756) 2.580 20.943 ( -3.199 4.438 -2.154) 5.880 21.031 ( -3.762 -4.761 -3.453) 6.982 22.395 ( 1.055 0.473 0.301) 1.194 22.407 ( 0.649 -0.783 0.305) 1.062 22.459 ( 0.796 0.313 -0.051) 0.857 22.467 ( 0.872 -0.494 -0.283) 1.041 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.407 1.780 0.257) 1.844 1.417 ( 1.187 -4.076 0.089) 4.246 1.724 ( -12.445 4.689 0.912) 13.330 1.786 ( -4.355 -0.225 0.223) 4.366 1.877 ( -11.831 4.969 1.581) 12.929 1.960 ( 1.362 -3.850 0.034) 4.084 2.150 ( 1.911 -2.138 2.127) 3.570 2.171 ( -2.240 -4.228 2.517) 5.406 2.306 ( 7.945 1.292 3.228) 8.673 2.339 ( 2.837 -1.517 -1.682) 3.631 2.434 ( 4.404 2.531 -0.239) 5.085 2.449 ( 2.645 1.977 4.806) 5.831 2.491 ( 1.575 1.200 1.154) 2.292 2.534 ( 1.837 -1.248 2.174) 3.108 2.590 ( 7.100 -1.402 1.101) 7.320 2.604 ( 6.679 -1.866 -0.052) 6.935 2.719 ( 4.789 1.884 0.619) 5.184 2.781 ( 3.064 -2.975 3.139) 5.300 2.839 ( -1.898 2.975 -4.974) 6.099 2.898 ( -5.279 -2.637 -7.156) 9.276 3.011 ( 0.372 1.639 -0.988) 1.950 3.027 ( -1.737 2.653 3.629) 4.819 3.051 ( 0.543 -1.701 1.893) 2.602 3.091 ( -6.181 -4.277 4.724) 8.878 3.248 ( -4.710 5.803 -3.148) 8.110 3.302 ( -4.856 3.380 2.682) 6.495 3.357 ( -6.908 -0.067 -1.211) 7.014 3.390 ( -5.532 -3.471 -4.316) 7.828 3.482 ( -2.021 3.090 1.923) 4.162 3.516 ( -5.179 -1.558 -0.907) 5.484 3.588 ( -4.395 0.822 -0.467) 4.495 3.590 ( 1.750 1.296 -2.745) 3.504 3.667 ( -4.194 6.778 1.058) 8.040 3.710 ( -8.848 6.738 -1.200) 11.186 3.758 ( 0.248 3.759 -2.361) 4.446 3.818 ( 0.965 0.059 -0.268) 1.004 3.871 ( -5.931 -2.571 -1.736) 6.693 3.929 ( -2.150 -6.957 -4.667) 8.648 4.003 ( 1.286 1.836 -1.092) 2.493 4.043 ( 0.213 -2.226 -0.765) 2.363 4.098 ( 1.202 2.775 -2.711) 4.062 4.158 ( 5.309 0.301 1.244) 5.461 4.216 ( -6.388 7.051 3.359) 10.090 4.290 ( -5.446 0.863 1.614) 5.745 4.340 ( 1.124 -2.032 0.020) 2.322 4.416 ( -7.281 -7.777 1.008) 10.702 4.505 ( 0.624 -0.359 0.497) 0.875 4.530 ( -1.556 -0.369 -1.281) 2.049 4.732 ( 1.572 2.773 0.476) 3.223 4.763 ( 9.756 -1.401 6.250) 11.671 4.814 ( -0.084 -1.298 -2.854) 3.136 4.823 ( -4.969 -1.478 -0.629) 5.222 4.976 ( 3.770 2.109 -2.324) 4.906 5.008 ( 5.645 -0.047 -1.904) 5.958 5.069 ( 2.864 8.278 -0.952) 8.811 5.197 ( 11.538 4.551 0.019) 12.404 5.236 ( 1.977 -6.369 0.671) 6.702 5.252 ( 4.834 -1.292 0.203) 5.007 5.301 ( -2.422 2.981 1.067) 3.987 5.385 ( -4.779 -5.167 0.487) 7.055 5.470 ( -0.887 1.386 -2.132) 2.693 5.528 ( -3.423 -4.132 -2.395) 5.876 5.665 ( 2.489 3.755 3.326) 5.600 5.726 ( -0.227 -3.156 0.062) 3.165 5.797 ( 0.816 -1.163 -0.692) 1.581 5.805 ( 2.837 -2.326 0.367) 3.687 5.947 ( 5.318 2.434 1.456) 6.027 5.986 ( 4.406 -1.595 1.128) 4.820 6.058 ( 3.351 3.303 3.195) 5.688 6.137 ( 2.063 -5.240 2.016) 5.982 6.258 ( -0.943 2.262 -1.698) 2.981 6.316 ( -0.133 -4.189 -2.709) 4.990 6.594 ( 1.283 2.445 1.644) 3.214 6.630 ( 1.966 -1.538 0.493) 2.544 6.659 ( 0.277 1.820 1.096) 2.143 6.701 ( 1.318 -2.546 0.654) 2.941 6.887 ( -0.767 1.146 0.333) 1.419 6.904 ( -2.064 -0.370 -0.123) 2.101 6.928 ( -1.376 3.834 -0.950) 4.183 7.000 ( -0.691 -3.332 -1.478) 3.710 7.335 ( 2.005 5.324 2.987) 6.426 7.365 ( 2.123 2.884 1.077) 3.740 7.448 ( -1.277 0.659 1.808) 2.310 7.485 ( -4.597 -3.830 0.127) 5.984 7.722 ( -0.120 2.244 5.398) 5.847 7.801 ( -1.051 -4.635 4.024) 6.227 7.922 ( -1.840 0.811 -0.972) 2.234 7.967 ( 0.249 -3.396 -0.974) 3.542 8.145 ( -1.685 5.776 -0.725) 6.060 8.219 ( -1.574 -1.960 -2.199) 3.340 8.306 ( 0.542 2.288 -2.139) 3.179 8.334 ( 1.965 -0.481 -2.289) 3.054 8.627 ( 3.367 0.573 3.207) 4.685 8.652 ( 1.999 -1.595 3.952) 4.707 8.859 ( -0.459 3.957 5.160) 6.519 8.898 ( -0.967 -0.192 4.075) 4.192 8.984 ( -3.911 2.597 -2.398) 5.272 9.013 ( -2.098 0.402 0.924) 2.327 9.082 ( -3.433 -0.546 -2.129) 4.077 9.095 ( -1.734 -1.738 -0.931) 2.626 9.240 ( -0.282 0.956 -1.380) 1.702 9.286 ( 0.556 -2.251 -4.749) 5.285 9.416 ( -0.865 2.931 -6.404) 7.096 9.478 ( 0.489 -2.562 -7.581) 8.017 9.571 ( -0.203 2.954 3.645) 4.696 9.638 ( -1.007 -3.928 2.796) 4.926 9.716 ( 1.706 2.735 7.989) 8.615 9.747 ( 0.937 -1.421 9.633) 9.782 9.838 ( 1.984 3.255 -0.872) 3.911 9.923 ( 0.635 -3.391 -3.726) 5.078 9.978 ( 1.927 0.232 -4.107) 4.543 10.016 ( 1.368 -2.917 -6.306) 7.081 10.176 ( -3.762 1.095 3.124) 5.011 10.190 ( -3.005 -0.179 2.091) 3.666 10.307 ( 1.385 3.052 -0.354) 3.370 10.342 ( -0.532 1.492 -0.085) 1.586 10.387 ( 4.133 -2.014 -1.570) 4.858 10.419 ( 0.112 -3.901 0.596) 3.948 10.464 ( -1.892 2.473 -2.184) 3.803 10.535 ( -1.828 -4.643 -0.571) 5.023 10.678 ( -0.112 1.406 -0.557) 1.517 10.691 ( 0.553 -0.272 0.706) 0.937 10.862 ( -4.052 1.597 0.094) 4.356 10.895 ( -1.310 -1.476 -0.509) 2.038 11.009 ( 4.614 0.220 -0.302) 4.629 11.032 ( 5.783 -1.974 1.156) 6.219 11.151 ( -1.285 5.179 0.206) 5.339 11.236 ( -0.675 -4.286 0.262) 4.347 11.510 ( 0.376 2.849 0.472) 2.912 11.538 ( -0.224 -0.113 0.760) 0.801 11.630 ( -1.788 3.767 0.912) 4.269 11.690 ( 0.529 -1.902 0.850) 2.150 11.925 ( -0.298 -0.314 0.181) 0.470 11.961 ( -3.676 -4.915 2.234) 6.532 12.096 ( 2.140 13.802 -4.635) 14.716 12.366 ( 4.052 -14.024 -6.135) 15.835 12.554 ( 4.077 11.633 5.135) 13.354 12.798 ( 2.603 -11.147 -2.673) 11.755 13.067 ( -1.340 3.863 1.129) 4.242 13.250 ( -0.429 -12.939 -5.767) 14.173 13.696 ( -3.378 -0.692 -1.287) 3.681 13.706 ( -1.662 -1.601 0.583) 2.380 14.062 ( 2.340 0.303 4.055) 4.692 14.079 ( 2.758 -1.296 4.161) 5.157 14.315 ( -1.432 4.396 -3.980) 6.100 14.367 ( -1.464 -1.261 -5.044) 5.402 14.747 ( -2.415 3.515 3.584) 5.570 14.786 ( -0.870 -0.268 3.337) 3.459 14.893 ( -1.045 0.715 0.566) 1.387 14.903 ( -1.563 -0.841 1.197) 2.140 15.253 ( -0.626 4.305 -0.482) 4.377 15.319 ( -0.289 -2.651 -1.511) 3.066 17.260 ( -0.419 13.310 2.051) 13.473 17.397 ( -1.244 6.437 -1.541) 6.735 17.448 ( -0.237 -0.320 1.250) 1.311 17.550 ( -0.909 -3.391 -1.877) 3.981 18.064 ( -4.875 -0.186 2.062) 5.297 18.113 ( -0.725 -3.562 2.207) 4.252 18.184 ( 0.295 -4.034 -1.502) 4.314 18.253 ( 8.037 -6.974 0.745) 10.667 18.853 ( -1.738 3.370 1.141) 3.960 18.914 ( -1.500 -3.145 0.866) 3.590 19.132 ( 2.450 -0.448 1.555) 2.936 19.161 ( 2.440 -3.417 2.909) 5.108 19.459 ( 2.781 3.990 -11.180) 12.192 19.515 ( 2.578 -2.158 -9.807) 10.367 19.648 ( -1.782 3.255 1.304) 3.934 19.709 ( -3.036 -2.337 -2.136) 4.387 19.970 ( -3.306 4.474 1.981) 5.905 20.053 ( -5.909 -3.971 1.189) 7.218 20.493 ( 1.371 3.452 2.202) 4.318 20.538 ( -0.024 -1.676 2.394) 2.923 20.714 ( 2.032 3.048 3.946) 5.384 20.760 ( 3.371 -2.072 3.319) 5.165 20.928 ( 3.253 4.896 -2.856) 6.535 21.027 ( 5.586 -5.393 -3.518) 8.525 22.406 ( -0.406 0.275 0.734) 0.882 22.414 ( -0.278 -0.589 0.480) 0.809 22.450 ( -1.568 0.461 -0.391) 1.681 22.460 ( -1.229 -0.672 -0.532) 1.498 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -4.786 8.406 1.500) 9.789 1.369 ( -10.920 11.079 -0.707) 15.572 1.518 ( -2.610 -5.852 2.479) 6.871 1.614 ( -8.752 -8.358 -2.631) 12.385 1.772 ( -3.511 8.837 -1.346) 9.604 1.940 ( -8.559 -9.875 -3.159) 13.445 2.114 ( -2.176 1.017 2.990) 3.836 2.142 ( -0.707 -1.421 2.819) 3.235 2.338 ( -2.669 1.255 0.342) 2.969 2.356 ( -5.875 0.328 -1.985) 6.210 2.458 ( -3.429 2.268 -0.260) 4.120 2.484 ( -2.259 1.141 0.115) 2.533 2.542 ( -5.826 5.428 -2.518) 8.351 2.589 ( -2.639 -0.983 -5.002) 5.740 2.601 ( 5.088 2.689 -2.436) 6.250 2.684 ( 6.788 -2.672 1.295) 7.409 2.762 ( -6.169 3.654 2.713) 7.666 2.800 ( 1.632 1.159 -2.133) 2.925 2.823 ( 4.029 0.236 -0.167) 4.039 2.858 ( -1.332 -3.409 0.254) 3.668 2.967 ( -3.084 4.389 1.339) 5.529 3.010 ( -3.917 0.683 2.838) 4.885 3.048 ( 3.645 -1.724 -1.439) 4.282 3.093 ( 2.298 -0.975 3.623) 4.399 3.119 ( 0.456 2.429 6.965) 7.390 3.232 ( -5.737 -6.809 -1.741) 9.073 3.272 ( -0.454 2.651 -3.133) 4.129 3.334 ( -0.846 -1.276 2.742) 3.140 3.413 ( -3.593 1.524 1.083) 4.050 3.461 ( -1.242 -1.984 1.368) 2.711 3.503 ( -7.661 7.695 -1.166) 10.920 3.564 ( -0.732 4.154 -0.628) 4.265 3.598 ( -0.294 5.210 0.470) 5.240 3.665 ( -5.650 -1.956 1.055) 6.071 3.682 ( -2.582 -2.660 -0.699) 3.772 3.762 ( 0.761 7.338 -1.089) 7.457 3.820 ( -7.023 -10.735 -3.566) 13.315 3.881 ( -3.620 -3.979 -3.371) 6.348 3.925 ( -8.191 0.365 7.008) 10.786 4.021 ( -9.330 -6.335 4.133) 12.011 4.046 ( -3.008 2.437 1.755) 4.251 4.097 ( 1.238 -2.200 1.069) 2.741 4.206 ( -0.344 2.488 -1.928) 3.167 4.235 ( 1.982 0.443 -1.570) 2.567 4.341 ( -0.669 -0.261 -2.162) 2.278 4.385 ( 4.508 -3.113 -3.921) 6.737 4.479 ( -2.931 2.084 -0.691) 3.662 4.509 ( -3.114 -0.654 0.882) 3.302 4.628 ( -4.877 2.613 -7.881) 9.629 4.699 ( -8.241 -5.904 -2.586) 10.463 4.875 ( 2.584 4.992 0.851) 5.685 4.937 ( 5.202 -1.279 4.738) 7.151 5.000 ( 0.609 1.713 -4.512) 4.864 5.030 ( 0.571 2.748 -0.181) 2.812 5.120 ( 1.966 3.553 -0.322) 4.073 5.194 ( -4.135 1.045 2.067) 4.739 5.275 ( -1.083 -4.314 -2.406) 5.057 5.303 ( -0.233 -5.109 4.730) 6.966 5.383 ( 6.473 0.261 0.605) 6.506 5.430 ( 7.580 -3.516 -3.261) 8.969 5.515 ( 1.988 0.172 2.577) 3.259 5.517 ( 2.994 -1.732 0.873) 3.568 5.717 ( 2.829 1.927 -6.390) 7.249 5.767 ( 5.734 -2.246 -1.967) 6.464 5.833 ( 5.684 4.448 3.631) 8.079 5.905 ( 5.772 -1.648 2.064) 6.348 6.050 ( 5.896 4.241 -3.090) 7.893 6.074 ( 3.949 1.574 -0.015) 4.251 6.166 ( 4.754 2.680 3.274) 6.364 6.240 ( 7.450 -6.025 2.378) 9.872 6.311 ( 6.572 1.892 2.311) 7.219 6.358 ( 5.435 -3.342 -0.722) 6.421 6.593 ( -0.566 2.335 -2.018) 3.138 6.629 ( -1.430 -1.217 -2.544) 3.162 6.698 ( 1.985 3.373 3.781) 5.441 6.755 ( 2.221 -2.359 5.876) 6.711 6.816 ( -3.108 1.217 -6.848) 7.618 6.848 ( -1.931 -2.242 -5.940) 6.636 6.963 ( 1.233 2.876 8.154) 8.734 7.011 ( 0.293 -2.364 4.758) 5.320 7.310 ( -4.450 5.249 1.070) 6.964 7.382 ( -6.179 -2.360 -1.941) 6.894 7.431 ( 2.959 3.656 1.101) 4.830 7.482 ( 2.600 0.128 2.641) 3.708 7.707 ( -4.738 1.203 1.693) 5.174 7.779 ( -2.519 -4.711 2.156) 5.761 7.904 ( 0.458 2.574 -0.286) 2.630 7.967 ( -0.128 -3.347 -1.031) 3.504 8.093 ( -3.838 5.006 0.214) 6.312 8.164 ( -3.081 -3.029 0.706) 4.378 8.281 ( -0.805 3.939 -2.875) 4.943 8.346 ( 1.869 -2.370 -2.945) 4.217 8.686 ( -0.808 0.937 1.399) 1.867 8.708 ( 0.818 -1.930 0.802) 2.244 8.856 ( -4.611 4.597 0.105) 6.511 8.894 ( -1.554 2.719 0.862) 3.248 8.921 ( -1.125 0.862 3.011) 3.328 8.964 ( -3.966 -6.260 -0.313) 7.417 9.007 ( -1.599 3.889 1.788) 4.569 9.080 ( 1.271 -2.853 3.606) 4.771 9.214 ( -1.478 -0.632 0.202) 1.620 9.245 ( -2.154 -3.207 -1.820) 4.270 9.397 ( 2.583 5.183 -5.924) 8.284 9.450 ( 1.292 -0.692 -5.801) 5.983 9.598 ( 0.280 3.035 5.095) 5.937 9.652 ( 0.236 -3.130 3.521) 4.717 9.750 ( -2.980 1.264 5.436) 6.327 9.798 ( -2.367 -2.459 8.254) 8.932 9.866 ( 1.110 3.606 -3.727) 5.303 9.934 ( 1.645 -2.554 -3.507) 4.640 10.000 ( 3.667 0.525 -3.801) 5.308 10.013 ( 1.391 -0.986 -5.047) 5.327 10.128 ( -1.762 2.060 2.504) 3.690 10.162 ( -1.602 -3.253 1.280) 3.846 10.246 ( -6.983 2.260 0.832) 7.386 10.304 ( -3.042 1.639 -6.280) 7.168 10.357 ( -1.664 -2.014 0.962) 2.784 10.428 ( 2.043 -4.490 -2.585) 5.569 10.486 ( 2.953 1.427 -0.852) 3.388 10.533 ( 0.987 -4.857 0.231) 4.961 10.658 ( -2.268 -0.010 2.720) 3.541 10.686 ( -1.248 -2.368 1.699) 3.170 10.831 ( 0.413 4.550 -0.937) 4.664 10.888 ( 0.823 -1.263 -1.427) 2.076 11.067 ( 0.687 1.477 -2.111) 2.667 11.116 ( 1.419 -3.474 -0.978) 3.877 11.176 ( 4.449 4.262 1.589) 6.363 11.242 ( 2.785 -3.083 0.025) 4.155 11.507 ( -0.636 2.541 0.246) 2.631 11.533 ( -0.917 -0.706 0.280) 1.191 11.599 ( -2.636 3.821 1.788) 4.974 11.705 ( 0.312 -5.049 1.655) 5.322 11.898 ( -3.158 -0.817 3.117) 4.512 11.933 ( 0.198 -3.645 -1.301) 3.875 12.097 ( 1.256 14.758 -5.600) 15.835 12.376 ( 1.323 -14.950 -6.957) 16.542 12.663 ( 3.422 8.289 3.967) 9.806 12.799 ( 0.532 -4.479 -6.204) 7.670 13.085 ( 0.888 3.194 4.453) 5.551 13.233 ( 2.198 -10.775 -3.453) 11.526 13.636 ( -0.937 0.199 -1.805) 2.044 13.671 ( -2.050 -3.268 1.882) 4.292 14.115 ( -0.191 3.084 1.567) 3.465 14.177 ( 3.365 -2.761 5.064) 6.677 14.273 ( 0.539 2.817 -3.509) 4.532 14.310 ( -0.660 -1.339 -4.038) 4.305 14.713 ( -3.868 4.237 4.442) 7.256 14.783 ( -1.818 -2.644 3.085) 4.451 14.877 ( -1.222 0.664 1.931) 2.380 14.880 ( -1.683 -0.366 1.699) 2.419 15.228 ( -1.556 4.545 -0.502) 4.830 15.297 ( -0.878 -2.817 -1.659) 3.385 17.251 ( -1.382 10.538 0.076) 10.629 17.349 ( -2.963 3.283 -0.357) 4.436 17.433 ( -2.373 -0.286 0.208) 2.400 17.494 ( -3.443 -4.189 -1.799) 5.713 17.951 ( -6.196 6.919 0.995) 9.340 18.165 ( 1.936 -14.961 1.389) 15.149 18.215 ( 5.640 10.080 -0.327) 11.556 18.396 ( 6.007 -9.460 0.933) 11.245 18.776 ( -6.630 2.979 -0.288) 7.274 18.837 ( -6.815 -3.765 -1.116) 7.865 19.193 ( 2.680 1.036 2.269) 3.661 19.231 ( 2.988 -2.720 2.898) 4.972 19.431 ( 3.010 4.277 -15.575) 16.430 19.502 ( 3.252 -3.693 -11.496) 12.505 19.622 ( -2.275 0.810 4.092) 4.752 19.631 ( -3.501 0.022 0.212) 3.508 19.950 ( -0.742 5.173 4.294) 6.764 20.023 ( 0.793 -3.717 5.705) 6.855 20.541 ( 2.268 1.353 0.455) 2.680 20.566 ( 1.900 -1.462 0.906) 2.563 20.818 ( 5.619 3.580 4.887) 8.263 20.869 ( 5.521 -1.971 4.041) 7.120 21.003 ( 6.351 8.312 -3.254) 10.955 21.151 ( 9.322 -7.036 -3.613) 12.225 22.382 ( -2.519 0.692 -0.386) 2.641 22.400 ( -1.693 -1.184 -0.007) 2.066 22.410 ( -2.133 0.674 0.478) 2.287 22.425 ( -1.967 -0.898 0.115) 2.165 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -9.683 20.291 -4.584) 22.946 1.222 ( -13.284 20.129 6.523) 24.984 1.428 ( -2.463 -13.978 -8.958) 16.784 1.575 ( -8.305 -16.401 4.735) 18.984 1.711 ( 0.967 -0.960 -2.596) 2.932 1.748 ( -0.606 -4.684 -3.171) 5.689 2.081 ( -3.793 9.887 5.176) 11.787 2.119 ( -7.736 -1.029 -3.595) 8.592 2.158 ( -7.406 8.195 -4.812) 12.048 2.268 ( -0.672 1.401 0.701) 1.704 2.351 ( -4.074 19.069 -4.606) 20.036 2.415 ( -3.965 -1.006 -2.707) 4.906 2.450 ( -3.029 3.160 0.881) 4.465 2.543 ( -6.467 5.382 -0.150) 8.415 2.566 ( 0.768 -3.966 0.087) 4.041 2.623 ( -7.473 2.739 6.919) 10.546 2.683 ( -4.628 -4.737 2.871) 7.218 2.814 ( 4.469 -2.662 -0.222) 5.207 2.913 ( 6.188 4.320 -4.322) 8.697 2.954 ( 3.568 1.833 0.511) 4.044 2.998 ( 7.387 -2.122 -1.979) 7.936 3.053 ( 2.018 -4.226 3.583) 5.897 3.105 ( -0.659 -4.341 -1.082) 4.522 3.130 ( 2.830 -4.241 -1.331) 5.270 3.164 ( 1.138 2.970 -1.320) 3.444 3.210 ( -3.971 0.453 3.170) 5.101 3.235 ( -2.009 1.323 -0.843) 2.549 3.320 ( -0.515 -3.170 -0.134) 3.215 3.348 ( -4.893 0.803 0.434) 4.977 3.384 ( -7.239 -6.651 1.477) 9.941 3.414 ( -0.382 3.698 3.222) 4.920 3.520 ( -6.007 -8.750 2.607) 10.929 3.564 ( -0.060 3.633 -0.075) 3.635 3.619 ( 1.119 4.883 1.457) 5.217 3.651 ( -7.550 -4.472 2.697) 9.180 3.720 ( 1.874 3.447 -2.248) 4.522 3.728 ( -1.766 -3.611 0.774) 4.093 3.801 ( -1.186 -2.781 -2.345) 3.827 3.847 ( -0.430 3.685 5.178) 6.370 3.953 ( -7.002 -4.485 5.904) 10.198 4.047 ( -2.435 2.279 1.944) 3.860 4.099 ( -1.080 -2.792 5.627) 6.374 4.236 ( -3.174 0.696 0.582) 3.301 4.239 ( 1.881 0.930 -2.105) 2.972 4.285 ( 0.813 5.894 -5.619) 8.184 4.416 ( 1.554 1.112 -3.011) 3.567 4.441 ( 1.691 -0.714 -4.114) 4.505 4.473 ( -1.216 1.557 0.051) 1.976 4.528 ( -3.127 -9.128 -1.967) 9.847 4.554 ( -0.820 -6.365 -3.332) 7.231 4.824 ( -4.068 3.527 -5.732) 7.864 4.905 ( -4.930 -0.803 -4.281) 6.578 5.052 ( 3.512 2.736 0.305) 4.463 5.087 ( 3.369 -1.171 1.770) 3.981 5.146 ( 0.279 2.679 -2.815) 3.896 5.169 ( -0.109 -3.619 -1.101) 3.784 5.245 ( -0.149 2.005 2.998) 3.610 5.328 ( -0.333 -3.212 2.528) 4.100 5.416 ( 0.007 0.849 -3.809) 3.903 5.492 ( 1.383 -7.194 -4.678) 8.692 5.556 ( 0.397 0.056 2.129) 2.166 5.599 ( 3.699 -2.912 3.522) 5.880 5.771 ( 6.431 5.520 -3.319) 9.102 5.866 ( 6.233 -4.433 -0.788) 7.689 5.975 ( 4.035 3.737 3.283) 6.405 6.024 ( 5.093 0.994 2.279) 5.667 6.092 ( -0.293 2.879 -0.080) 2.895 6.121 ( 2.906 2.163 -3.952) 5.361 6.297 ( 7.848 5.840 0.138) 9.783 6.407 ( 7.035 -5.766 2.115) 9.338 6.446 ( 4.319 1.783 -1.836) 5.020 6.462 ( 6.252 -0.394 2.158) 6.626 6.557 ( 0.177 1.341 -6.078) 6.226 6.594 ( -0.111 -1.551 -2.671) 3.091 6.712 ( -2.929 0.454 -6.171) 6.846 6.728 ( -4.302 -0.376 -2.552) 5.016 6.796 ( 4.216 4.312 6.545) 8.899 6.876 ( 3.904 -3.610 6.892) 8.705 7.034 ( 0.012 0.633 9.857) 9.878 7.052 ( -0.713 -1.259 8.003) 8.133 7.222 ( -7.639 2.235 -0.271) 7.964 7.237 ( -6.086 0.532 0.257) 6.115 7.479 ( 2.130 4.311 0.413) 4.826 7.553 ( 3.108 -2.173 1.387) 4.038 7.623 ( -2.781 5.317 -0.485) 6.020 7.746 ( -1.117 -6.640 -1.933) 7.005 7.862 ( -6.519 2.692 0.722) 7.090 7.900 ( -6.737 -1.202 -0.207) 6.847 8.050 ( 1.500 5.798 -0.342) 5.999 8.177 ( 3.207 -7.257 -0.404) 7.944 8.284 ( 2.658 6.016 1.044) 6.659 8.381 ( 3.779 -3.651 -1.506) 5.466 8.611 ( -7.412 0.006 -1.795) 7.626 8.642 ( -6.147 -2.392 -0.256) 6.602 8.750 ( -5.665 4.916 -2.153) 7.803 8.821 ( -6.352 -1.121 -3.024) 7.124 8.905 ( -0.527 0.935 -0.609) 1.234 8.930 ( 2.703 -1.922 0.350) 3.335 9.028 ( -0.363 4.329 3.325) 5.471 9.131 ( -1.907 -6.621 1.164) 6.988 9.244 ( 4.099 -0.117 6.396) 7.598 9.261 ( 2.812 -0.413 4.483) 5.308 9.415 ( 2.748 3.924 -2.892) 5.596 9.457 ( 1.850 -0.529 -0.390) 1.963 9.635 ( -1.743 4.581 4.994) 6.998 9.669 ( -2.768 1.429 2.196) 3.812 9.705 ( -1.697 -3.965 5.284) 6.820 9.744 ( -7.132 -4.222 2.751) 8.733 9.835 ( -0.679 3.547 -3.992) 5.383 9.899 ( -1.376 -2.404 -4.976) 5.695 9.984 ( 0.064 3.975 -1.832) 4.377 10.064 ( 3.684 -0.946 -3.659) 5.277 10.086 ( -4.301 0.657 -2.852) 5.202 10.128 ( -3.677 4.068 0.877) 5.553 10.194 ( 1.896 -6.347 -0.318) 6.632 10.228 ( 0.051 -4.845 -4.674) 6.733 10.364 ( 0.672 3.802 1.272) 4.065 10.424 ( 0.304 -0.339 -4.701) 4.723 10.504 ( -0.053 -2.731 -3.621) 4.535 10.545 ( 0.296 -7.377 -1.253) 7.489 10.646 ( -1.086 2.864 6.770) 7.431 10.706 ( 0.391 -2.794 5.156) 5.878 10.842 ( 1.210 4.335 -1.324) 4.691 10.886 ( -0.397 -0.615 -1.262) 1.459 11.050 ( -0.096 0.451 -3.881) 3.909 11.085 ( -0.636 -2.764 -3.029) 4.149 11.270 ( 4.027 5.916 0.782) 7.199 11.339 ( 5.870 -1.513 0.423) 6.076 11.502 ( -1.324 -1.328 0.698) 2.001 11.518 ( 0.288 -1.035 2.083) 2.344 11.550 ( -3.733 6.711 1.047) 7.750 11.717 ( -1.242 -8.667 3.078) 9.281 11.875 ( -0.960 1.332 1.120) 1.987 11.924 ( -0.275 -4.285 -2.064) 4.765 12.074 ( 0.964 14.035 -6.628) 15.551 12.324 ( -0.721 -13.115 -9.917) 16.458 12.708 ( -0.216 3.930 1.309) 4.147 12.758 ( -0.386 -1.252 -4.731) 4.909 13.132 ( 0.565 7.062 4.410) 8.344 13.277 ( 3.224 -8.089 -0.627) 8.730 13.654 ( 2.953 -0.247 0.179) 2.969 13.680 ( 1.451 -3.215 2.910) 4.572 14.049 ( -4.270 6.189 -4.260) 8.642 14.177 ( -2.671 -7.641 -4.125) 9.085 14.319 ( 3.220 3.831 3.807) 6.288 14.354 ( 3.912 -0.606 3.649) 5.383 14.674 ( -3.729 4.305 6.235) 8.445 14.763 ( -1.943 -4.269 2.684) 5.404 14.866 ( -1.625 0.065 3.469) 3.831 14.875 ( -0.892 -0.378 2.229) 2.430 15.199 ( -1.129 4.976 -0.295) 5.111 15.274 ( -0.341 -3.165 -1.294) 3.436 17.223 ( -0.391 7.041 -1.547) 7.219 17.301 ( -1.864 1.797 0.057) 2.590 17.363 ( -3.794 -1.046 -1.337) 4.157 17.422 ( -3.879 -4.140 -0.372) 5.686 17.876 ( -2.572 15.822 1.178) 16.072 18.193 ( 2.136 -13.673 -3.615) 14.303 18.363 ( 8.225 3.642 1.965) 9.208 18.477 ( 2.091 -7.129 0.695) 7.461 18.647 ( -6.211 1.409 -0.032) 6.369 18.687 ( -7.453 -3.354 -0.058) 8.173 19.215 ( -0.524 4.354 -7.230) 8.456 19.276 ( 0.715 -1.802 -2.649) 3.282 19.372 ( 1.848 5.853 -11.007) 12.602 19.467 ( -0.116 -3.738 -8.630) 9.406 19.604 ( 0.314 0.304 0.031) 0.438 19.631 ( 0.723 -2.557 1.293) 2.955 20.051 ( 5.652 4.157 13.416) 15.140 20.128 ( 4.610 -4.688 7.795) 10.198 20.572 ( 1.224 0.793 -0.509) 1.544 20.603 ( 1.171 -2.303 0.468) 2.625 20.934 ( 3.032 3.243 2.862) 5.282 20.979 ( 2.857 -1.574 2.616) 4.181 21.105 ( 6.061 11.305 -0.526) 12.838 21.295 ( 8.110 -8.843 -2.967) 12.360 22.330 ( -2.222 1.117 -0.223) 2.497 22.355 ( -2.385 -1.687 -0.104) 2.923 22.383 ( -1.442 0.579 0.382) 1.600 22.395 ( -1.467 -0.678 0.128) 1.621 ======================= Grid point 70 (34/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -2.355 0.000 23.417) 23.535 1.069 ( -0.075 0.000 24.486) 24.486 1.269 ( -2.011 0.000 7.189) 7.465 1.334 ( -5.155 0.000 -16.689) 17.467 1.494 ( 12.035 0.000 -7.800) 14.342 1.584 ( -0.069 0.000 -10.287) 10.287 1.763 ( -2.275 0.000 4.919) 5.420 1.983 ( -2.992 0.000 -10.867) 11.271 2.081 ( -1.249 0.000 6.742) 6.856 2.177 ( 2.723 0.000 -1.061) 2.922 2.284 ( 3.018 0.000 0.140) 3.022 2.305 ( 0.288 0.000 -4.782) 4.791 2.484 ( 6.742 0.000 6.403) 9.298 2.595 ( -8.951 0.000 -6.092) 10.828 2.611 ( -1.170 0.000 6.582) 6.686 2.637 ( -0.917 0.000 -0.242) 0.948 2.705 ( 2.156 0.000 -1.084) 2.413 2.711 ( -0.007 0.000 -0.359) 0.359 2.779 ( -0.293 0.000 2.736) 2.752 2.800 ( 1.533 0.000 1.717) 2.302 2.876 ( -6.210 0.000 0.617) 6.240 3.066 ( 2.474 0.000 2.090) 3.238 3.079 ( 0.046 0.000 -7.122) 7.122 3.092 ( -2.204 0.000 -2.669) 3.461 3.185 ( 1.174 0.000 0.345) 1.224 3.219 ( 1.263 0.000 -4.290) 4.472 3.255 ( -0.873 0.000 -0.571) 1.043 3.271 ( 3.812 0.000 0.662) 3.869 3.373 ( 2.066 0.000 0.444) 2.113 3.387 ( -2.475 0.000 0.093) 2.477 3.484 ( -6.613 0.000 -1.174) 6.716 3.527 ( 2.447 0.000 -3.952) 4.648 3.549 ( 3.134 0.000 1.515) 3.481 3.572 ( -0.035 0.000 -0.643) 0.644 3.620 ( 0.699 0.000 3.342) 3.414 3.660 ( 5.507 0.000 -0.266) 5.513 3.702 ( -10.706 0.000 -2.455) 10.984 3.759 ( -0.283 0.000 -7.287) 7.293 3.909 ( -0.166 0.000 -0.503) 0.529 3.951 ( 7.259 0.000 -1.933) 7.512 4.020 ( 1.532 0.000 5.335) 5.551 4.070 ( -4.113 0.000 -0.335) 4.127 4.237 ( 4.154 0.000 0.362) 4.170 4.309 ( -1.322 0.000 -5.636) 5.789 4.445 ( -4.299 0.000 1.122) 4.443 4.480 ( 0.454 0.000 -2.413) 2.455 4.507 ( 1.317 0.000 5.585) 5.738 4.584 ( -1.754 0.000 0.369) 1.793 4.642 ( 1.322 0.000 14.450) 14.510 4.739 ( 1.110 0.000 -0.116) 1.116 4.749 ( -0.424 0.000 -0.885) 0.981 4.914 ( 2.238 0.000 -8.916) 9.193 4.970 ( -1.057 0.000 -2.817) 3.008 5.010 ( -1.816 0.000 -4.526) 4.877 5.285 ( -2.088 0.000 7.233) 7.528 5.306 ( 5.528 0.000 3.665) 6.633 5.368 ( -6.743 0.000 3.585) 7.637 5.433 ( 4.296 0.000 -2.214) 4.832 5.470 ( 1.106 0.000 0.857) 1.399 5.562 ( -2.075 0.000 -6.497) 6.820 5.637 ( 6.731 0.000 4.239) 7.955 5.683 ( -0.230 0.000 2.291) 2.303 5.762 ( 1.483 0.000 -1.495) 2.106 5.857 ( -6.569 0.000 -7.265) 9.795 5.970 ( 5.478 0.000 0.895) 5.550 6.012 ( 0.839 0.000 3.001) 3.116 6.036 ( -5.972 0.000 -3.066) 6.713 6.043 ( -0.625 0.000 -2.648) 2.720 6.080 ( 6.576 0.000 1.879) 6.840 6.134 ( -6.923 0.000 -3.304) 7.671 6.452 ( -0.328 0.000 -0.675) 0.750 6.456 ( -0.241 0.000 -0.482) 0.539 6.604 ( -3.083 0.000 1.224) 3.317 6.611 ( 3.096 0.000 0.472) 3.131 6.681 ( 1.239 0.000 3.038) 3.281 6.754 ( -2.316 0.000 -4.288) 4.873 6.919 ( -0.256 0.000 1.565) 1.586 6.978 ( -0.278 0.000 -4.680) 4.688 7.042 ( -9.481 0.000 7.113) 11.852 7.099 ( 9.806 0.000 2.271) 10.066 7.211 ( -9.884 0.000 5.178) 11.158 7.253 ( 11.345 0.000 0.255) 11.348 7.455 ( 0.742 0.000 4.001) 4.070 7.501 ( 2.529 0.000 0.534) 2.585 7.633 ( -3.734 0.000 -0.123) 3.736 7.707 ( 0.643 0.000 -7.630) 7.657 7.819 ( -2.214 0.000 3.219) 3.907 7.849 ( 1.673 0.000 0.260) 1.693 7.976 ( 2.227 0.000 2.830) 3.601 8.003 ( -1.630 0.000 -0.049) 1.631 8.319 ( -4.693 0.000 2.293) 5.223 8.440 ( -0.143 0.000 -9.242) 9.243 8.453 ( 4.543 0.000 2.204) 5.049 8.487 ( -3.376 0.000 -1.301) 3.618 8.721 ( -3.552 0.000 1.602) 3.897 8.764 ( 4.505 0.000 -2.831) 5.321 8.893 ( 2.073 0.000 5.070) 5.477 8.978 ( 1.020 0.000 -4.619) 4.730 9.103 ( -1.538 0.000 2.870) 3.256 9.131 ( 2.261 0.000 -0.598) 2.338 9.288 ( -7.502 0.000 1.851) 7.727 9.353 ( -0.590 0.000 -4.492) 4.531 9.427 ( 8.284 0.000 -0.121) 8.285 9.445 ( -3.671 0.000 -1.529) 3.977 9.502 ( -2.056 0.000 -2.956) 3.601 9.525 ( 3.106 0.000 -6.050) 6.801 9.686 ( -0.823 0.000 4.230) 4.310 9.727 ( -2.752 0.000 0.388) 2.779 9.888 ( 3.479 0.000 1.379) 3.742 9.895 ( -3.261 0.000 -0.711) 3.338 9.991 ( 0.507 0.000 4.779) 4.806 9.998 ( -1.681 0.000 1.883) 2.524 10.078 ( 2.536 0.000 4.999) 5.605 10.204 ( -3.698 0.000 -7.129) 8.031 10.225 ( 1.425 0.000 -0.191) 1.438 10.230 ( 1.108 0.000 -0.653) 1.286 10.398 ( -1.902 0.000 -0.056) 1.903 10.398 ( 5.253 0.000 2.821) 5.963 10.535 ( 7.178 0.000 -0.145) 7.180 10.581 ( -8.412 0.000 -2.832) 8.876 10.681 ( 0.173 0.000 1.313) 1.325 10.712 ( 1.486 0.000 -1.842) 2.366 10.903 ( -0.749 0.000 4.733) 4.792 10.965 ( 1.568 0.000 6.373) 6.563 10.977 ( -4.540 0.000 -0.635) 4.584 10.999 ( 2.135 0.000 -0.112) 2.138 11.205 ( 2.830 0.000 -1.029) 3.011 11.243 ( -2.255 0.000 -5.341) 5.798 11.563 ( -1.106 0.000 6.315) 6.411 11.592 ( 2.562 0.000 2.334) 3.465 11.649 ( -0.730 0.000 -3.110) 3.195 11.664 ( -1.201 0.000 -3.614) 3.808 11.887 ( -2.460 0.000 2.113) 3.243 11.961 ( 3.804 0.000 -5.721) 6.870 12.083 ( -3.201 0.000 10.153) 10.645 12.289 ( 2.124 0.000 -11.686) 11.878 12.586 ( -5.314 0.000 0.164) 5.317 12.633 ( 5.802 0.000 -4.666) 7.446 13.111 ( -1.647 0.000 4.470) 4.764 13.179 ( 2.934 0.000 -3.054) 4.235 13.815 ( 2.794 0.000 3.114) 4.184 13.863 ( -2.459 0.000 -1.758) 3.023 14.083 ( -0.530 0.000 12.931) 12.941 14.238 ( 1.587 0.000 3.391) 3.744 14.292 ( -1.853 0.000 -2.204) 2.880 14.305 ( 1.087 0.000 -10.881) 10.935 14.775 ( -0.375 0.000 4.375) 4.391 14.822 ( -1.171 0.000 2.012) 2.328 14.866 ( 0.748 0.000 -2.464) 2.575 14.891 ( 0.499 0.000 -2.940) 2.982 15.252 ( -4.564 0.000 3.423) 5.705 15.303 ( 2.125 0.000 -2.039) 2.945 17.083 ( -7.677 0.000 0.520) 7.695 17.099 ( 7.083 0.000 -1.191) 7.183 17.228 ( 3.734 0.000 1.400) 3.988 17.256 ( -3.977 0.000 -1.477) 4.242 17.615 ( 2.683 0.000 4.390) 5.145 17.696 ( -2.859 0.000 -4.089) 4.990 18.519 ( -0.159 0.000 0.402) 0.432 18.524 ( -0.269 0.000 -0.201) 0.336 18.630 ( -0.653 0.000 3.193) 3.259 18.698 ( 0.273 0.000 -4.050) 4.060 19.206 ( -0.748 0.000 1.049) 1.288 19.219 ( 0.883 0.000 -0.313) 0.936 19.343 ( 3.488 0.000 3.537) 4.968 19.400 ( -2.291 0.000 -2.572) 3.444 19.655 ( -1.824 0.000 0.048) 1.825 19.665 ( 2.162 0.000 -1.105) 2.428 20.465 ( 1.882 0.000 3.579) 4.043 20.523 ( 4.660 0.000 0.881) 4.742 20.585 ( -0.873 0.000 -0.812) 1.192 20.632 ( -5.160 0.000 -2.475) 5.723 20.821 ( 5.348 0.000 1.628) 5.590 20.875 ( -3.453 0.000 -4.039) 5.314 21.356 ( -1.596 0.000 3.164) 3.544 21.409 ( 2.026 0.000 -2.474) 3.198 22.312 ( 1.467 0.000 1.052) 1.806 22.332 ( -1.639 0.000 -1.060) 1.952 22.373 ( -0.668 0.000 0.798) 1.040 22.386 ( 0.189 0.000 -0.602) 0.631 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -1.067 0.000 19.265) 19.295 1.077 ( -1.421 0.000 -10.514) 10.610 1.403 ( 10.925 0.000 17.978) 21.037 1.445 ( 10.272 0.000 -9.827) 14.215 1.545 ( 7.116 0.000 -11.773) 13.756 1.755 ( 17.661 0.000 -4.019) 18.112 1.949 ( 7.307 0.000 -10.068) 12.440 1.965 ( 12.879 0.000 14.007) 19.028 2.088 ( 0.865 0.000 4.828) 4.905 2.181 ( -1.294 0.000 -6.183) 6.317 2.232 ( -3.930 0.000 -2.225) 4.517 2.344 ( 4.568 0.000 -2.877) 5.399 2.457 ( -0.413 0.000 -3.957) 3.978 2.583 ( -5.038 0.000 1.152) 5.168 2.606 ( -1.990 0.000 0.264) 2.007 2.686 ( 7.061 0.000 4.688) 8.476 2.741 ( 4.021 0.000 2.866) 4.937 2.769 ( 4.072 0.000 -2.269) 4.662 2.845 ( 6.797 0.000 0.527) 6.818 2.866 ( 0.964 0.000 0.356) 1.027 2.886 ( -0.282 0.000 17.916) 17.918 3.033 ( 1.307 0.000 -2.327) 2.668 3.103 ( -2.601 0.000 -3.281) 4.187 3.138 ( 6.491 0.000 -3.417) 7.335 3.173 ( 1.707 0.000 5.639) 5.891 3.209 ( -0.342 0.000 -0.286) 0.446 3.214 ( 2.350 0.000 -10.323) 10.588 3.267 ( -2.646 0.000 -2.264) 3.482 3.344 ( -0.765 0.000 -0.059) 0.767 3.386 ( 0.095 0.000 -1.462) 1.465 3.475 ( -1.962 0.000 4.668) 5.064 3.525 ( 0.837 0.000 -3.518) 3.616 3.532 ( -3.859 0.000 1.075) 4.006 3.593 ( 3.274 0.000 5.697) 6.571 3.602 ( -3.019 0.000 -3.447) 4.582 3.678 ( 5.927 0.000 1.048) 6.020 3.709 ( 5.643 0.000 -4.315) 7.104 3.819 ( 2.459 0.000 5.669) 6.180 3.898 ( 1.353 0.000 -6.543) 6.682 3.968 ( -1.781 0.000 -4.079) 4.451 4.025 ( 0.916 0.000 -0.094) 0.921 4.086 ( 2.488 0.000 1.945) 3.158 4.255 ( -2.532 0.000 -0.182) 2.539 4.267 ( 0.965 0.000 -4.581) 4.681 4.422 ( 0.382 0.000 3.593) 3.613 4.466 ( -0.666 0.000 1.497) 1.638 4.488 ( -7.317 0.000 -3.932) 8.307 4.553 ( -0.152 0.000 4.029) 4.032 4.729 ( -0.853 0.000 13.628) 13.655 4.755 ( -0.856 0.000 -0.416) 0.951 4.778 ( 4.302 0.000 -1.379) 4.517 4.834 ( -0.398 0.000 -15.813) 15.818 5.018 ( 3.781 0.000 4.584) 5.942 5.052 ( 7.824 0.000 0.600) 7.847 5.217 ( -8.854 0.000 4.446) 9.908 5.224 ( -5.488 0.000 -0.860) 5.555 5.339 ( -18.163 0.000 -4.396) 18.687 5.414 ( -0.959 0.000 -4.406) 4.509 5.479 ( -0.440 0.000 2.413) 2.452 5.496 ( 2.056 0.000 1.133) 2.348 5.598 ( 1.231 0.000 -2.040) 2.383 5.666 ( -5.363 0.000 -4.827) 7.215 5.713 ( -4.896 0.000 -1.800) 5.216 5.835 ( -1.275 0.000 5.529) 5.674 5.934 ( 0.686 0.000 -3.166) 3.239 5.958 ( -4.852 0.000 1.897) 5.209 5.989 ( -3.581 0.000 -0.575) 3.626 6.063 ( 1.098 0.000 -1.521) 1.876 6.084 ( 0.290 0.000 4.017) 4.027 6.203 ( 1.572 0.000 3.571) 3.901 6.447 ( 0.438 0.000 -0.112) 0.452 6.447 ( 0.001 0.000 1.054) 1.054 6.607 ( 4.205 0.000 0.862) 4.292 6.657 ( -4.823 0.000 -2.041) 5.237 6.676 ( 2.676 0.000 -0.739) 2.776 6.709 ( -2.728 0.000 2.939) 4.010 6.804 ( -9.573 0.000 -1.809) 9.742 6.927 ( 0.234 0.000 2.170) 2.183 7.011 ( -4.542 0.000 1.727) 4.860 7.069 ( -1.452 0.000 1.603) 2.162 7.139 ( -4.905 0.000 3.210) 5.862 7.407 ( 3.878 0.000 -3.497) 5.222 7.537 ( -0.420 0.000 -0.570) 0.707 7.582 ( 5.942 0.000 -2.924) 6.623 7.649 ( 6.284 0.000 3.528) 7.207 7.703 ( 2.609 0.000 -3.339) 4.237 7.828 ( 1.521 0.000 2.052) 2.554 7.911 ( 4.579 0.000 -0.307) 4.589 7.973 ( 0.758 0.000 -2.401) 2.518 8.047 ( 4.191 0.000 1.519) 4.458 8.173 ( -9.176 0.000 4.364) 10.161 8.286 ( -5.009 0.000 -1.313) 5.179 8.521 ( 3.608 0.000 3.747) 5.202 8.696 ( 12.998 0.000 -2.151) 13.175 8.763 ( 4.353 0.000 0.825) 4.430 8.853 ( 1.518 0.000 -1.393) 2.060 8.931 ( 0.034 0.000 -4.763) 4.763 8.954 ( 2.849 0.000 0.951) 3.003 9.032 ( -2.712 0.000 3.007) 4.049 9.082 ( -5.259 0.000 -0.066) 5.260 9.212 ( -10.584 0.000 -2.408) 10.855 9.235 ( -0.844 0.000 5.567) 5.631 9.379 ( 0.978 0.000 -3.338) 3.478 9.519 ( 2.950 0.000 -1.403) 3.266 9.542 ( -1.016 0.000 -6.958) 7.032 9.567 ( 7.294 0.000 3.391) 8.044 9.756 ( 2.576 0.000 5.284) 5.878 9.772 ( 5.769 0.000 4.087) 7.070 9.830 ( -2.647 0.000 -1.924) 3.273 9.952 ( 1.447 0.000 -2.038) 2.500 9.972 ( -1.389 0.000 1.777) 2.256 9.980 ( -3.283 0.000 4.090) 5.245 10.151 ( 3.191 0.000 -5.949) 6.750 10.189 ( -2.805 0.000 -0.469) 2.844 10.247 ( 5.378 0.000 4.097) 6.761 10.254 ( 2.680 0.000 -2.355) 3.568 10.391 ( 2.218 0.000 0.612) 2.301 10.427 ( -4.532 0.000 -2.500) 5.176 10.448 ( 0.845 0.000 -2.917) 3.037 10.611 ( -4.004 0.000 3.675) 5.434 10.711 ( 0.250 0.000 -2.229) 2.243 10.759 ( 8.533 0.000 -3.222) 9.121 10.894 ( -3.774 0.000 -0.113) 3.775 10.912 ( -1.339 0.000 4.391) 4.591 11.012 ( -1.129 0.000 4.753) 4.885 11.047 ( 3.940 0.000 -1.856) 4.355 11.165 ( -2.266 0.000 -4.069) 4.658 11.229 ( 0.237 0.000 -0.443) 0.502 11.552 ( -4.400 0.000 -1.790) 4.750 11.607 ( -1.784 0.000 0.334) 1.815 11.629 ( 0.931 0.000 6.314) 6.382 11.630 ( -0.457 0.000 -1.332) 1.408 11.834 ( -3.452 0.000 0.544) 3.495 11.946 ( -0.723 0.000 -3.598) 3.670 12.163 ( 3.271 0.000 8.702) 9.297 12.290 ( 3.542 0.000 -7.344) 8.154 12.493 ( -3.990 0.000 -1.269) 4.187 12.703 ( 3.984 0.000 -3.923) 5.592 13.168 ( 4.746 0.000 4.089) 6.265 13.277 ( 9.876 0.000 -5.877) 11.492 13.801 ( -2.474 0.000 -3.539) 4.319 13.870 ( 1.276 0.000 3.062) 3.317 14.141 ( -1.195 0.000 9.511) 9.586 14.202 ( -4.064 0.000 -4.474) 6.044 14.230 ( -3.385 0.000 -0.491) 3.420 14.305 ( 2.944 0.000 -4.207) 5.135 14.808 ( 1.006 0.000 3.230) 3.383 14.808 ( -2.307 0.000 2.918) 3.720 14.859 ( -2.352 0.000 -0.608) 2.429 14.866 ( 1.642 0.000 -3.693) 4.042 15.203 ( -3.118 0.000 5.749) 6.540 15.321 ( 0.895 0.000 -1.633) 1.862 16.983 ( -3.744 0.000 1.755) 4.135 17.165 ( -2.870 0.000 -0.447) 2.904 17.269 ( 8.746 0.000 -2.971) 9.237 17.303 ( 3.617 0.000 1.841) 4.058 17.702 ( 6.148 0.000 -3.416) 7.033 17.773 ( 10.326 0.000 4.560) 11.288 18.557 ( 2.791 0.000 0.736) 2.886 18.583 ( 6.657 0.000 -0.584) 6.682 18.635 ( -1.159 0.000 3.507) 3.694 18.681 ( 0.673 0.000 -2.915) 2.991 19.210 ( 0.854 0.000 0.320) 0.912 19.232 ( 0.547 0.000 -0.615) 0.823 19.337 ( -2.089 0.000 -4.324) 4.802 19.418 ( 1.512 0.000 2.517) 2.936 19.603 ( -2.614 0.000 -0.021) 2.615 19.674 ( -0.219 0.000 -1.017) 1.041 20.394 ( -8.709 0.000 -1.763) 8.885 20.423 ( -7.917 0.000 -5.715) 9.764 20.586 ( 0.216 0.000 0.469) 0.516 20.616 ( -2.983 0.000 5.925) 6.634 20.778 ( -2.890 0.000 -4.156) 5.062 20.895 ( 1.434 0.000 1.113) 1.815 21.231 ( -13.043 0.000 6.624) 14.629 21.348 ( -6.115 0.000 -4.906) 7.839 22.316 ( 0.813 0.000 -0.701) 1.073 22.363 ( 3.208 0.000 1.027) 3.368 22.401 ( 2.483 0.000 0.283) 2.500 22.403 ( 1.434 0.000 -0.053) 1.435 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 13.339 0.000 -3.711) 13.845 1.177 ( 9.342 0.000 10.897) 14.353 1.529 ( 8.309 0.000 -9.752) 12.812 1.667 ( 12.180 0.000 -5.946) 13.554 1.757 ( 15.126 0.000 11.932) 19.266 1.909 ( 2.450 0.000 -2.159) 3.265 2.032 ( -2.585 0.000 0.947) 2.753 2.145 ( 2.074 0.000 -2.255) 3.064 2.184 ( 10.903 0.000 -0.919) 10.942 2.258 ( 3.929 0.000 7.555) 8.516 2.263 ( 11.074 0.000 -0.400) 11.081 2.421 ( 1.833 0.000 -0.300) 1.858 2.468 ( -1.953 0.000 2.090) 2.861 2.479 ( 1.204 0.000 1.322) 1.788 2.611 ( 2.112 0.000 1.770) 2.756 2.746 ( -9.657 0.000 0.248) 9.660 2.789 ( -0.309 0.000 1.155) 1.196 2.797 ( 1.315 0.000 -4.456) 4.646 2.817 ( -8.778 0.000 4.336) 9.790 2.859 ( 8.532 0.000 -0.249) 8.536 3.043 ( -7.298 0.000 4.864) 8.771 3.075 ( 5.196 0.000 -1.723) 5.474 3.112 ( 8.219 0.000 -7.632) 11.216 3.161 ( 2.079 0.000 2.360) 3.145 3.177 ( 1.989 0.000 -2.655) 3.317 3.238 ( 4.942 0.000 -2.158) 5.393 3.284 ( 0.969 0.000 -0.508) 1.094 3.313 ( -0.659 0.000 9.648) 9.671 3.385 ( 7.207 0.000 -11.223) 13.338 3.417 ( 3.567 0.000 6.442) 7.364 3.446 ( 3.550 0.000 1.348) 3.797 3.512 ( 0.874 0.000 -2.912) 3.041 3.516 ( 1.097 0.000 1.412) 1.789 3.551 ( -1.300 0.000 1.566) 2.035 3.737 ( 7.351 0.000 0.123) 7.352 3.771 ( 2.974 0.000 0.204) 2.981 3.798 ( 8.091 0.000 3.791) 8.935 3.831 ( -1.976 0.000 -4.166) 4.611 3.910 ( 3.611 0.000 2.451) 4.364 3.974 ( 3.809 0.000 -4.774) 6.107 4.081 ( 2.916 0.000 1.790) 3.422 4.098 ( -1.422 0.000 0.816) 1.640 4.214 ( -4.149 0.000 -2.290) 4.739 4.216 ( -2.849 0.000 -9.984) 10.383 4.346 ( 1.708 0.000 -3.729) 4.102 4.460 ( -0.385 0.000 5.901) 5.914 4.465 ( -3.531 0.000 -0.884) 3.640 4.546 ( -0.084 0.000 0.166) 0.186 4.717 ( -2.031 0.000 -0.330) 2.058 4.751 ( -1.129 0.000 -4.998) 5.124 4.822 ( 1.963 0.000 9.001) 9.213 4.862 ( 4.889 0.000 2.497) 5.489 4.909 ( -19.813 0.000 -3.319) 20.089 5.097 ( -5.702 0.000 9.614) 11.178 5.099 ( -6.714 0.000 -2.169) 7.055 5.145 ( 2.070 0.000 2.112) 2.957 5.233 ( 7.026 0.000 0.543) 7.047 5.345 ( -0.022 0.000 -5.733) 5.733 5.392 ( -8.210 0.000 -2.107) 8.476 5.496 ( -2.370 0.000 0.922) 2.543 5.552 ( -7.321 0.000 -4.294) 8.487 5.643 ( 1.200 0.000 -1.784) 2.150 5.652 ( 4.664 0.000 1.350) 4.856 5.826 ( -7.341 0.000 -2.430) 7.733 5.826 ( 0.382 0.000 -1.551) 1.598 5.911 ( -5.010 0.000 2.100) 5.433 5.937 ( -1.638 0.000 -1.747) 2.394 6.060 ( -5.254 0.000 4.886) 7.175 6.134 ( 5.622 0.000 -1.496) 5.817 6.175 ( -5.014 0.000 6.252) 8.014 6.443 ( -3.118 0.000 -3.085) 4.386 6.443 ( -2.529 0.000 1.321) 2.853 6.570 ( -5.297 0.000 1.274) 5.448 6.596 ( -0.148 0.000 0.609) 0.627 6.694 ( 0.932 0.000 -2.305) 2.486 6.717 ( -0.768 0.000 1.773) 1.933 6.754 ( 4.616 0.000 -1.420) 4.830 6.943 ( -0.698 0.000 2.174) 2.283 6.947 ( 0.364 0.000 1.591) 1.632 7.029 ( -7.167 0.000 -0.629) 7.194 7.147 ( 4.580 0.000 4.104) 6.150 7.360 ( -4.437 0.000 -1.703) 4.753 7.493 ( -2.504 0.000 -1.803) 3.086 7.623 ( -0.331 0.000 -1.350) 1.390 7.758 ( 3.845 0.000 0.831) 3.934 7.794 ( 6.363 0.000 1.053) 6.449 7.852 ( -0.134 0.000 1.655) 1.661 7.963 ( 4.436 0.000 -2.968) 5.337 8.048 ( 5.968 0.000 -3.872) 7.115 8.093 ( -3.165 0.000 4.978) 5.899 8.156 ( 5.533 0.000 1.791) 5.815 8.240 ( -0.340 0.000 0.646) 0.730 8.612 ( 1.350 0.000 6.082) 6.230 8.766 ( -3.579 0.000 -0.582) 3.626 8.821 ( 2.390 0.000 0.992) 2.587 8.870 ( 4.557 0.000 -1.879) 4.929 8.938 ( -5.509 0.000 -2.191) 5.929 8.942 ( 1.997 0.000 0.275) 2.015 9.057 ( 1.485 0.000 1.246) 1.938 9.097 ( 1.157 0.000 2.344) 2.614 9.104 ( 5.176 0.000 0.030) 5.176 9.247 ( -0.337 0.000 0.561) 0.655 9.413 ( 4.416 0.000 -3.634) 5.719 9.454 ( -1.532 0.000 -8.690) 8.824 9.568 ( 1.893 0.000 3.370) 3.865 9.678 ( -1.247 0.000 0.143) 1.255 9.789 ( 0.609 0.000 10.352) 10.370 9.830 ( 0.311 0.000 2.207) 2.228 9.839 ( -1.276 0.000 1.353) 1.860 9.916 ( -0.696 0.000 -3.166) 3.242 9.964 ( 0.267 0.000 1.575) 1.597 10.036 ( 5.123 0.000 -1.032) 5.225 10.073 ( -5.701 0.000 -2.621) 6.275 10.177 ( 3.111 0.000 -3.113) 4.401 10.276 ( -2.105 0.000 -0.488) 2.161 10.346 ( 7.153 0.000 0.511) 7.171 10.389 ( 1.093 0.000 -1.496) 1.853 10.404 ( -2.860 0.000 -4.715) 5.515 10.525 ( 4.750 0.000 7.310) 8.718 10.539 ( -4.543 0.000 4.169) 6.166 10.723 ( 3.246 0.000 -1.330) 3.508 10.756 ( -5.260 0.000 -1.187) 5.393 10.892 ( 3.307 0.000 -4.762) 5.798 10.911 ( -0.941 0.000 2.452) 2.627 10.972 ( -5.308 0.000 3.583) 6.404 11.108 ( 3.661 0.000 -3.451) 5.031 11.117 ( -1.620 0.000 -1.697) 2.346 11.204 ( -1.772 0.000 -2.685) 3.217 11.470 ( -2.695 0.000 0.938) 2.853 11.575 ( -1.505 0.000 0.127) 1.510 11.608 ( -1.892 0.000 1.630) 2.497 11.707 ( 2.076 0.000 4.079) 4.577 11.776 ( -3.434 0.000 2.408) 4.194 11.921 ( 1.386 0.000 -5.748) 5.913 12.258 ( 0.394 0.000 8.882) 8.890 12.295 ( -0.473 0.000 1.084) 1.183 12.450 ( 2.256 0.000 -6.591) 6.967 12.706 ( -0.229 0.000 -5.719) 5.724 13.305 ( 5.628 0.000 5.061) 7.569 13.434 ( 10.341 0.000 -4.931) 11.456 13.737 ( -0.771 0.000 -5.985) 6.035 13.913 ( 1.482 0.000 3.357) 3.670 14.076 ( -6.294 0.000 -4.949) 8.007 14.137 ( -2.105 0.000 -1.053) 2.354 14.199 ( -2.719 0.000 8.333) 8.765 14.318 ( 1.613 0.000 -4.555) 4.833 14.778 ( -2.583 0.000 2.645) 3.697 14.805 ( -3.332 0.000 2.056) 3.915 14.850 ( 1.020 0.000 2.075) 2.312 14.882 ( 2.573 0.000 -3.807) 4.595 15.208 ( -0.628 0.000 5.191) 5.229 15.318 ( 0.530 0.000 -2.624) 2.677 16.961 ( -1.483 0.000 4.916) 5.134 17.109 ( -1.889 0.000 -1.818) 2.622 17.385 ( 3.711 0.000 1.611) 4.045 17.388 ( 5.643 0.000 -2.204) 6.058 17.863 ( 12.549 0.000 -0.907) 12.581 18.010 ( 11.598 0.000 3.744) 12.188 18.564 ( -3.311 0.000 0.101) 3.313 18.607 ( -4.149 0.000 2.918) 5.072 18.728 ( 4.948 0.000 1.499) 5.170 18.741 ( 10.465 0.000 -3.098) 10.914 19.220 ( -1.304 0.000 -1.591) 2.057 19.220 ( -0.922 0.000 -1.677) 1.914 19.303 ( 3.038 0.000 -3.306) 4.490 19.389 ( -5.251 0.000 3.798) 6.481 19.622 ( 3.815 0.000 -0.182) 3.819 19.654 ( -0.815 0.000 -1.314) 1.546 20.207 ( -11.245 0.000 -4.955) 12.288 20.224 ( -5.751 0.000 -7.328) 9.315 20.559 ( -5.552 0.000 4.671) 7.256 20.583 ( -1.048 0.000 0.013) 1.048 20.738 ( -0.582 0.000 0.028) 0.583 20.888 ( -1.920 0.000 -0.850) 2.099 21.026 ( -14.123 0.000 9.923) 17.260 21.161 ( -8.074 0.000 -7.889) 11.288 22.351 ( 2.736 0.000 0.231) 2.745 22.426 ( 0.854 0.000 0.488) 0.983 22.427 ( 2.792 0.000 0.457) 2.829 22.442 ( 1.814 0.000 -0.738) 1.959 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.387 0.000 6.337) 8.317 1.406 ( 11.557 0.000 2.913) 11.919 1.679 ( 13.885 0.000 -4.062) 14.467 1.880 ( -11.983 0.000 1.936) 12.139 1.921 ( 18.835 0.000 -8.979) 20.866 1.933 ( 12.223 0.000 -8.428) 14.847 2.068 ( -13.446 0.000 4.811) 14.280 2.115 ( -18.043 0.000 6.592) 19.209 2.165 ( 12.419 0.000 13.023) 17.995 2.400 ( 9.894 0.000 -1.741) 10.046 2.424 ( 5.596 0.000 0.954) 5.677 2.459 ( 5.022 0.000 -1.672) 5.293 2.501 ( -0.521 0.000 1.898) 1.968 2.537 ( -2.074 0.000 4.639) 5.082 2.643 ( 2.431 0.000 1.838) 3.047 2.643 ( -5.891 0.000 1.808) 6.162 2.717 ( 2.225 0.000 3.327) 4.003 2.780 ( 0.226 0.000 -1.532) 1.549 2.804 ( -4.639 0.000 -2.219) 5.143 2.922 ( -0.918 0.000 2.846) 2.990 2.963 ( 0.635 0.000 -4.953) 4.993 3.061 ( -1.507 0.000 5.719) 5.914 3.124 ( -2.299 0.000 -7.814) 8.145 3.185 ( -0.358 0.000 -3.367) 3.386 3.240 ( -2.714 0.000 4.534) 5.284 3.257 ( 0.170 0.000 -1.227) 1.238 3.270 ( 1.401 0.000 -0.086) 1.403 3.318 ( 1.530 0.000 -3.208) 3.554 3.450 ( 6.651 0.000 -2.987) 7.291 3.456 ( 0.755 0.000 4.934) 4.992 3.532 ( 1.691 0.000 3.222) 3.639 3.566 ( 0.847 0.000 -1.707) 1.905 3.638 ( 9.459 0.000 -3.224) 9.994 3.675 ( 8.728 0.000 0.279) 8.733 3.754 ( -4.740 0.000 -3.490) 5.886 3.763 ( -4.313 0.000 -1.596) 4.598 3.824 ( 4.998 0.000 -3.285) 5.980 3.913 ( -5.657 0.000 0.230) 5.662 3.962 ( -6.567 0.000 -4.390) 7.899 3.989 ( 3.594 0.000 -4.067) 5.428 4.041 ( -5.702 0.000 9.823) 11.358 4.087 ( 2.679 0.000 -3.440) 4.360 4.192 ( 7.709 0.000 -6.090) 9.824 4.207 ( 3.188 0.000 6.422) 7.170 4.336 ( 1.007 0.000 -1.834) 2.092 4.404 ( 1.857 0.000 -1.180) 2.201 4.499 ( 2.550 0.000 -1.009) 2.743 4.511 ( -9.515 0.000 -5.055) 10.774 4.659 ( 11.849 0.000 4.066) 12.527 4.801 ( 2.980 0.000 7.206) 7.798 4.822 ( 7.681 0.000 -4.587) 8.946 4.845 ( -6.152 0.000 3.378) 7.018 4.917 ( -14.053 0.000 2.825) 14.334 4.953 ( -0.446 0.000 2.189) 2.234 5.027 ( -6.135 0.000 5.403) 8.175 5.093 ( -6.852 0.000 -1.568) 7.030 5.217 ( 2.210 0.000 4.947) 5.418 5.348 ( 2.512 0.000 -2.782) 3.748 5.409 ( -0.885 0.000 -6.657) 6.716 5.431 ( -3.737 0.000 2.963) 4.769 5.512 ( 7.788 0.000 -1.896) 8.015 5.602 ( -3.714 0.000 -2.522) 4.489 5.642 ( -5.301 0.000 -3.531) 6.369 5.765 ( 5.321 0.000 1.502) 5.529 5.798 ( -6.613 0.000 -2.081) 6.933 5.867 ( -1.532 0.000 -2.399) 2.846 5.932 ( 5.474 0.000 -0.205) 5.478 5.989 ( -5.699 0.000 4.839) 7.476 6.129 ( -5.267 0.000 7.718) 9.344 6.198 ( 3.291 0.000 -3.658) 4.920 6.342 ( -2.003 0.000 -1.887) 2.752 6.379 ( -3.713 0.000 -0.088) 3.714 6.567 ( 0.728 0.000 2.843) 2.934 6.625 ( 1.009 0.000 0.895) 1.349 6.674 ( -0.998 0.000 -0.605) 1.167 6.690 ( 0.038 0.000 -3.316) 3.316 6.828 ( 1.522 0.000 1.479) 2.122 6.911 ( -3.798 0.000 -1.328) 4.023 6.950 ( -1.060 0.000 0.576) 1.206 6.980 ( 3.206 0.000 -2.646) 4.157 7.259 ( 2.564 0.000 8.853) 9.217 7.293 ( -2.435 0.000 3.419) 4.197 7.445 ( -0.648 0.000 -2.727) 2.803 7.566 ( -3.484 0.000 -4.152) 5.420 7.830 ( 1.137 0.000 5.626) 5.740 7.873 ( 1.019 0.000 1.494) 1.809 7.878 ( 2.468 0.000 0.277) 2.484 8.010 ( 2.834 0.000 -6.891) 7.451 8.087 ( -2.036 0.000 5.283) 5.662 8.112 ( 4.064 0.000 -2.008) 4.533 8.234 ( 2.551 0.000 -0.511) 2.601 8.257 ( 1.348 0.000 -1.001) 1.679 8.652 ( 0.263 0.000 5.385) 5.392 8.719 ( -1.877 0.000 1.258) 2.259 8.793 ( -5.366 0.000 3.014) 6.154 8.877 ( -0.514 0.000 -3.236) 3.276 8.926 ( 3.507 0.000 0.439) 3.534 8.991 ( 2.282 0.000 -2.581) 3.446 9.116 ( 2.698 0.000 1.408) 3.043 9.150 ( 0.863 0.000 -1.202) 1.480 9.168 ( 2.784 0.000 4.245) 5.077 9.269 ( 2.723 0.000 1.291) 3.013 9.379 ( -1.864 0.000 -7.030) 7.273 9.455 ( 1.889 0.000 -6.215) 6.495 9.596 ( -2.364 0.000 4.737) 5.294 9.617 ( -2.449 0.000 1.087) 2.679 9.765 ( -3.025 0.000 1.198) 3.254 9.814 ( 0.071 0.000 -3.001) 3.002 9.903 ( 1.330 0.000 -1.710) 2.166 9.938 ( -2.596 0.000 4.761) 5.423 9.969 ( 4.080 0.000 9.403) 10.250 10.030 ( 1.227 0.000 -1.095) 1.644 10.065 ( 0.219 0.000 -2.772) 2.781 10.242 ( -0.781 0.000 -0.718) 1.061 10.250 ( 4.498 0.000 -3.862) 5.929 10.323 ( -0.777 0.000 -3.453) 3.539 10.376 ( -5.464 0.000 -0.298) 5.473 10.390 ( -0.025 0.000 -1.159) 1.160 10.587 ( 5.767 0.000 4.046) 7.045 10.611 ( 1.511 0.000 4.848) 5.078 10.674 ( -1.775 0.000 2.295) 2.902 10.762 ( -0.584 0.000 -1.363) 1.483 10.879 ( -4.141 0.000 -0.338) 4.154 10.901 ( 2.010 0.000 -6.362) 6.672 10.951 ( 0.657 0.000 5.666) 5.704 11.077 ( -1.342 0.000 0.769) 1.547 11.110 ( -2.741 0.000 1.027) 2.928 11.152 ( 1.593 0.000 -10.896) 11.012 11.470 ( 0.238 0.000 4.172) 4.179 11.555 ( -0.722 0.000 -0.687) 0.997 11.594 ( -0.930 0.000 3.080) 3.217 11.693 ( -1.215 0.000 -3.963) 4.145 11.781 ( -2.096 0.000 8.394) 8.652 11.923 ( 3.188 0.000 -7.106) 7.788 12.282 ( -3.853 0.000 8.742) 9.554 12.334 ( 2.926 0.000 5.844) 6.536 12.470 ( 4.622 0.000 -8.442) 9.624 12.638 ( -1.761 0.000 -8.527) 8.707 13.408 ( 1.945 0.000 5.349) 5.691 13.552 ( 4.558 0.000 -5.005) 6.769 13.728 ( 4.172 0.000 -3.564) 5.487 13.901 ( -8.140 0.000 -3.649) 8.921 13.982 ( 1.675 0.000 3.757) 4.114 14.090 ( -1.719 0.000 -1.993) 2.632 14.204 ( -2.058 0.000 6.807) 7.112 14.317 ( 2.213 0.000 -6.009) 6.404 14.758 ( -1.040 0.000 2.023) 2.274 14.764 ( -2.872 0.000 3.381) 4.436 14.869 ( -0.335 0.000 1.500) 1.537 14.905 ( 2.199 0.000 -3.171) 3.859 15.228 ( -0.974 0.000 4.754) 4.852 15.313 ( 0.837 0.000 -3.067) 3.179 16.977 ( -0.664 0.000 5.641) 5.680 17.080 ( 0.355 0.000 -2.988) 3.009 17.438 ( 0.896 0.000 0.975) 1.324 17.449 ( 2.530 0.000 -1.503) 2.943 18.125 ( 15.074 0.000 -0.027) 15.074 18.194 ( 3.938 0.000 3.569) 5.315 18.465 ( -7.289 0.000 1.948) 7.545 18.516 ( -5.100 0.000 -0.829) 5.167 18.816 ( 1.508 0.000 3.782) 4.071 18.891 ( 7.921 0.000 -5.826) 9.833 19.178 ( -0.932 0.000 -2.416) 2.589 19.179 ( -1.349 0.000 -1.304) 1.876 19.338 ( -3.282 0.000 5.186) 6.137 19.393 ( 7.452 0.000 -3.287) 8.145 19.642 ( 0.445 0.000 -0.285) 0.529 19.674 ( 1.091 0.000 -0.549) 1.221 19.988 ( -9.874 0.000 -0.268) 9.877 20.097 ( -1.963 0.000 -10.072) 10.262 20.495 ( -4.465 0.000 4.635) 6.436 20.557 ( -0.362 0.000 -2.334) 2.362 20.741 ( -0.487 0.000 3.099) 3.137 20.839 ( -1.559 0.000 -2.639) 3.066 20.881 ( -7.462 0.000 9.735) 12.266 21.016 ( -1.445 0.000 -7.133) 7.278 22.402 ( 2.082 0.000 0.889) 2.264 22.442 ( 0.433 0.000 0.925) 1.022 22.449 ( -0.289 0.000 -0.638) 0.701 22.465 ( 1.030 0.000 -0.904) 1.370 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -8.289 0.000 1.773) 8.476 1.474 ( -5.801 0.000 1.122) 5.908 1.629 ( -13.586 0.000 -3.042) 13.922 1.783 ( -14.860 0.000 6.287) 16.135 1.810 ( -13.101 0.000 5.057) 14.043 1.947 ( 13.073 0.000 -3.207) 13.460 2.174 ( 9.270 0.000 -6.565) 11.359 2.210 ( 17.757 0.000 -3.982) 18.198 2.357 ( -1.982 0.000 3.463) 3.990 2.363 ( -7.793 0.000 -6.657) 10.249 2.432 ( -3.703 0.000 0.613) 3.753 2.458 ( -2.833 0.000 -1.148) 3.057 2.559 ( 6.727 0.000 0.895) 6.786 2.563 ( -2.057 0.000 -2.925) 3.576 2.622 ( 7.523 0.000 0.826) 7.568 2.651 ( -3.558 0.000 0.994) 3.694 2.731 ( -4.859 0.000 3.309) 5.879 2.779 ( 5.424 0.000 0.993) 5.514 2.830 ( -7.510 0.000 -7.216) 10.415 2.849 ( 2.555 0.000 4.719) 5.366 2.966 ( -2.029 0.000 4.277) 4.734 3.034 ( 0.536 0.000 -6.751) 6.772 3.102 ( -0.854 0.000 7.147) 7.198 3.179 ( 0.211 0.000 4.071) 4.077 3.229 ( 0.554 0.000 -9.573) 9.589 3.229 ( 1.574 0.000 0.740) 1.739 3.281 ( -2.544 0.000 0.849) 2.682 3.284 ( -8.662 0.000 3.699) 9.419 3.390 ( -10.330 0.000 2.463) 10.619 3.463 ( -5.397 0.000 7.665) 9.374 3.503 ( -2.545 0.000 4.025) 4.762 3.570 ( -3.105 0.000 2.440) 3.949 3.633 ( 0.742 0.000 2.679) 2.780 3.686 ( 3.617 0.000 -1.245) 3.825 3.712 ( -1.126 0.000 -7.694) 7.776 3.728 ( -5.071 0.000 -3.442) 6.128 3.817 ( 0.068 0.000 -2.223) 2.224 3.868 ( -1.180 0.000 5.004) 5.141 3.920 ( 5.967 0.000 0.843) 6.026 4.010 ( -1.703 0.000 1.006) 1.978 4.035 ( 5.899 0.000 -5.214) 7.873 4.214 ( 5.415 0.000 -10.126) 11.483 4.242 ( -0.322 0.000 -0.037) 0.325 4.271 ( 0.004 0.000 -7.195) 7.195 4.381 ( -1.579 0.000 2.333) 2.817 4.385 ( -6.817 0.000 -3.758) 7.785 4.431 ( 3.363 0.000 2.567) 4.231 4.440 ( -3.379 0.000 3.417) 4.805 4.646 ( -0.695 0.000 -1.148) 1.342 4.809 ( -4.513 0.000 1.292) 4.694 4.869 ( -1.105 0.000 1.246) 1.665 4.895 ( -3.877 0.000 -2.973) 4.886 4.925 ( 5.232 0.000 4.224) 6.724 5.008 ( 11.325 0.000 -1.935) 11.489 5.053 ( 12.955 0.000 3.962) 13.547 5.061 ( 2.342 0.000 -0.536) 2.403 5.279 ( 0.686 0.000 5.191) 5.236 5.305 ( -3.784 0.000 -3.222) 4.970 5.395 ( 2.477 0.000 2.798) 3.737 5.398 ( 0.281 0.000 -5.732) 5.739 5.499 ( -4.471 0.000 1.837) 4.833 5.580 ( 0.362 0.000 0.835) 0.910 5.674 ( -2.272 0.000 -7.119) 7.473 5.718 ( 9.204 0.000 3.210) 9.748 5.791 ( -4.331 0.000 -1.687) 4.648 5.835 ( -0.499 0.000 2.294) 2.348 5.912 ( -3.334 0.000 1.512) 3.661 6.058 ( 6.839 0.000 -1.452) 6.991 6.097 ( -2.469 0.000 5.733) 6.242 6.224 ( 2.223 0.000 -1.427) 2.642 6.345 ( 1.498 0.000 -2.806) 3.181 6.380 ( 5.367 0.000 0.327) 5.377 6.603 ( 0.654 0.000 3.988) 4.041 6.626 ( -0.813 0.000 -2.395) 2.529 6.647 ( -1.418 0.000 0.042) 1.418 6.664 ( -0.596 0.000 -1.085) 1.238 6.862 ( 1.799 0.000 3.255) 3.719 6.877 ( -0.311 0.000 -3.049) 3.065 6.922 ( -2.202 0.000 2.743) 3.518 7.000 ( 1.635 0.000 -4.407) 4.700 7.315 ( -1.075 0.000 3.509) 3.670 7.322 ( 1.901 0.000 5.473) 5.794 7.448 ( -5.702 0.000 -6.815) 8.886 7.466 ( 2.109 0.000 5.431) 5.827 7.857 ( -2.193 0.000 5.159) 5.605 7.862 ( -1.822 0.000 -0.182) 1.831 7.924 ( 1.847 0.000 -1.010) 2.106 7.974 ( -2.114 0.000 -5.779) 6.154 8.060 ( -4.121 0.000 3.883) 5.662 8.177 ( 4.009 0.000 -1.913) 4.442 8.239 ( -1.851 0.000 -3.878) 4.297 8.259 ( 0.916 0.000 -0.919) 1.298 8.696 ( 0.445 0.000 4.000) 4.024 8.710 ( 0.163 0.000 0.033) 0.166 8.783 ( 2.332 0.000 4.973) 5.493 8.859 ( 2.402 0.000 -3.505) 4.249 8.946 ( -2.893 0.000 2.111) 3.581 8.972 ( -2.476 0.000 -4.076) 4.769 9.133 ( -1.848 0.000 -0.941) 2.074 9.141 ( -0.440 0.000 0.302) 0.534 9.222 ( -0.583 0.000 4.710) 4.746 9.273 ( -4.108 0.000 -7.511) 8.561 9.333 ( 0.012 0.000 6.303) 6.303 9.400 ( -0.904 0.000 -6.473) 6.535 9.599 ( 1.254 0.000 2.678) 2.957 9.634 ( 1.690 0.000 1.607) 2.332 9.768 ( 1.923 0.000 1.913) 2.712 9.792 ( 0.605 0.000 -2.900) 2.963 9.893 ( -2.572 0.000 0.236) 2.583 9.942 ( 2.750 0.000 -0.820) 2.870 10.030 ( -0.204 0.000 -1.516) 1.530 10.043 ( -0.811 0.000 -1.236) 1.479 10.107 ( -0.092 0.000 13.026) 13.027 10.203 ( -6.338 0.000 -8.491) 10.596 10.256 ( 2.849 0.000 0.632) 2.919 10.259 ( 1.309 0.000 -2.929) 3.208 10.383 ( 4.116 0.000 -0.773) 4.188 10.389 ( 0.768 0.000 -0.795) 1.105 10.629 ( -2.913 0.000 0.856) 3.036 10.663 ( -0.221 0.000 -0.081) 0.236 10.715 ( -1.011 0.000 -0.365) 1.075 10.715 ( 1.915 0.000 4.018) 4.451 10.817 ( -2.287 0.000 0.338) 2.312 10.923 ( 5.157 0.000 -5.408) 7.472 10.960 ( -3.262 0.000 6.989) 7.712 11.053 ( -3.153 0.000 0.315) 3.169 11.118 ( 1.791 0.000 -9.991) 10.151 11.129 ( 5.079 0.000 1.175) 5.213 11.512 ( 1.097 0.000 4.154) 4.296 11.534 ( -0.456 0.000 -2.625) 2.664 11.620 ( 1.327 0.000 3.639) 3.873 11.660 ( 0.239 0.000 -3.357) 3.365 11.783 ( -2.238 0.000 6.925) 7.278 11.935 ( 2.974 0.000 -7.731) 8.283 12.241 ( -6.298 0.000 8.873) 10.881 12.450 ( 6.209 0.000 -2.324) 6.630 12.504 ( 3.216 0.000 -0.690) 3.289 12.556 ( 0.134 0.000 -10.653) 10.654 13.445 ( -2.413 0.000 5.700) 6.190 13.540 ( -0.105 0.000 -9.089) 9.089 13.718 ( -8.274 0.000 -1.457) 8.401 13.819 ( 4.005 0.000 4.438) 5.978 14.043 ( -1.905 0.000 -2.942) 3.505 14.044 ( 2.314 0.000 2.782) 3.618 14.221 ( 0.257 0.000 4.603) 4.610 14.329 ( 3.525 0.000 -6.792) 7.652 14.751 ( -0.977 0.000 4.343) 4.451 14.766 ( 0.303 0.000 2.169) 2.190 14.856 ( -1.835 0.000 1.135) 2.158 14.915 ( 0.933 0.000 -2.871) 3.019 15.231 ( -2.153 0.000 5.443) 5.854 15.305 ( 0.430 0.000 -3.174) 3.203 17.010 ( 0.858 0.000 4.462) 4.544 17.081 ( 2.329 0.000 -4.992) 5.508 17.429 ( -2.436 0.000 0.709) 2.537 17.464 ( 0.105 0.000 -1.780) 1.783 18.118 ( -12.240 0.000 1.153) 12.294 18.237 ( -6.950 0.000 -0.814) 6.998 18.468 ( 9.184 0.000 3.708) 9.904 18.499 ( 3.500 0.000 -1.514) 3.813 18.809 ( -4.463 0.000 2.734) 5.234 18.929 ( 0.811 0.000 -8.268) 8.308 19.167 ( 0.739 0.000 -0.796) 1.086 19.169 ( 0.982 0.000 -1.130) 1.497 19.319 ( -2.680 0.000 3.865) 4.703 19.471 ( 4.671 0.000 -8.996) 10.137 19.649 ( -2.273 0.000 -0.790) 2.407 19.665 ( 0.056 0.000 0.796) 0.798 19.885 ( -3.455 0.000 11.126) 11.650 20.055 ( 3.947 0.000 -6.308) 7.441 20.476 ( -0.571 0.000 6.394) 6.420 20.560 ( 2.394 0.000 -2.269) 3.299 20.762 ( 0.391 0.000 6.227) 6.239 20.800 ( -0.839 0.000 -3.091) 3.203 20.890 ( 2.038 0.000 5.763) 6.113 21.032 ( 7.624 0.000 -6.859) 10.255 22.419 ( -2.323 0.000 -0.926) 2.501 22.428 ( -0.049 0.000 1.385) 1.385 22.450 ( -0.255 0.000 0.729) 0.773 22.461 ( -0.545 0.000 -1.077) 1.207 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -23.719 0.000 2.162) 23.817 1.234 ( -20.916 0.000 14.537) 25.472 1.432 ( -2.719 0.000 -13.595) 13.864 1.682 ( -3.034 0.000 7.748) 8.321 1.717 ( 0.735 0.000 -4.280) 4.342 2.047 ( -10.797 0.000 -4.653) 11.757 2.115 ( -5.430 0.000 -3.275) 6.341 2.149 ( -13.569 0.000 1.789) 13.686 2.193 ( -5.302 0.000 -8.591) 10.095 2.247 ( -15.514 0.000 1.761) 15.614 2.369 ( -1.247 0.000 -5.024) 5.176 2.461 ( -8.086 0.000 -2.071) 8.347 2.499 ( 8.479 0.000 -3.441) 9.151 2.544 ( -4.779 0.000 -4.354) 6.465 2.589 ( -6.167 0.000 5.502) 8.265 2.691 ( -0.462 0.000 1.253) 1.335 2.777 ( 2.312 0.000 4.879) 5.399 2.793 ( 7.894 0.000 -4.576) 9.124 2.824 ( 2.881 0.000 0.460) 2.918 2.865 ( -0.613 0.000 -0.804) 1.011 2.897 ( -0.612 0.000 8.355) 8.378 3.080 ( -1.407 0.000 -1.731) 2.231 3.117 ( 4.957 0.000 -3.320) 5.966 3.130 ( -1.742 0.000 2.932) 3.411 3.207 ( -5.288 0.000 2.557) 5.874 3.225 ( -3.117 0.000 -3.237) 4.494 3.262 ( -0.046 0.000 4.604) 4.604 3.321 ( -1.408 0.000 -3.746) 4.001 3.350 ( 6.309 0.000 4.986) 8.041 3.406 ( -2.651 0.000 6.753) 7.255 3.438 ( -5.577 0.000 1.920) 5.898 3.507 ( -4.569 0.000 2.909) 5.416 3.586 ( 0.173 0.000 -11.728) 11.729 3.611 ( -0.627 0.000 -0.960) 1.147 3.742 ( -3.047 0.000 2.376) 3.863 3.745 ( -1.782 0.000 6.652) 6.887 3.773 ( -1.322 0.000 0.191) 1.336 3.847 ( -14.411 0.000 -10.375) 17.758 3.915 ( 2.544 0.000 2.344) 3.459 4.027 ( 2.480 0.000 -1.210) 2.759 4.059 ( 1.148 0.000 -6.410) 6.512 4.090 ( 2.969 0.000 3.941) 4.934 4.212 ( 2.665 0.000 -6.093) 6.651 4.218 ( -4.351 0.000 -4.797) 6.476 4.339 ( -3.844 0.000 -1.792) 4.241 4.379 ( 4.237 0.000 5.725) 7.122 4.493 ( 0.391 0.000 7.587) 7.597 4.523 ( 4.616 0.000 -0.090) 4.617 4.682 ( -4.069 0.000 -4.107) 5.782 4.804 ( -4.426 0.000 0.913) 4.519 4.815 ( -1.767 0.000 -3.165) 3.625 4.846 ( 14.366 0.000 2.695) 14.617 4.983 ( -1.046 0.000 4.948) 5.057 5.091 ( -1.249 0.000 -6.216) 6.340 5.187 ( 7.577 0.000 0.165) 7.579 5.193 ( -2.907 0.000 3.434) 4.499 5.221 ( -0.778 0.000 -5.409) 5.465 5.358 ( -0.036 0.000 -6.979) 6.979 5.390 ( 12.447 0.000 -1.444) 12.531 5.431 ( 2.974 0.000 6.534) 7.179 5.564 ( 3.479 0.000 -4.225) 5.474 5.613 ( 2.698 0.000 1.240) 2.969 5.687 ( -4.478 0.000 -2.201) 4.990 5.740 ( 10.995 0.000 6.434) 12.739 5.774 ( -5.053 0.000 3.338) 6.056 5.883 ( 5.784 0.000 3.499) 6.760 5.923 ( 1.727 0.000 1.927) 2.588 6.091 ( -1.612 0.000 0.990) 1.892 6.127 ( 2.276 0.000 -1.747) 2.870 6.271 ( 2.602 0.000 -3.498) 4.360 6.404 ( 6.452 0.000 0.534) 6.474 6.473 ( 3.327 0.000 -1.531) 3.662 6.590 ( 0.090 0.000 -2.561) 2.563 6.606 ( -0.917 0.000 -0.497) 1.043 6.658 ( -0.142 0.000 2.416) 2.420 6.680 ( 2.283 0.000 4.456) 5.007 6.803 ( -4.382 0.000 -4.494) 6.277 6.941 ( 2.443 0.000 2.085) 3.211 6.959 ( 4.929 0.000 5.607) 7.466 6.999 ( 1.714 0.000 -3.377) 3.787 7.266 ( -8.205 0.000 -8.115) 11.540 7.301 ( -2.696 0.000 4.515) 5.259 7.413 ( 3.270 0.000 5.566) 6.455 7.539 ( -0.409 0.000 8.560) 8.569 7.799 ( -4.682 0.000 -2.789) 5.450 7.818 ( -3.112 0.000 -0.673) 3.184 7.907 ( -0.723 0.000 -2.659) 2.755 7.921 ( -1.075 0.000 0.377) 1.140 7.986 ( -6.491 0.000 2.482) 6.949 8.163 ( -4.164 0.000 -1.741) 4.513 8.220 ( 3.496 0.000 -6.007) 6.950 8.272 ( 1.957 0.000 -2.428) 3.118 8.717 ( 1.377 0.000 -3.390) 3.659 8.725 ( 0.835 0.000 4.045) 4.131 8.831 ( -7.186 0.000 1.796) 7.407 8.852 ( -6.040 0.000 -3.199) 6.835 8.908 ( 2.303 0.000 3.460) 4.156 8.919 ( 2.765 0.000 -0.046) 2.766 9.076 ( -3.061 0.000 -1.276) 3.317 9.100 ( -4.529 0.000 0.696) 4.582 9.181 ( 0.741 0.000 -6.348) 6.391 9.251 ( 3.737 0.000 1.023) 3.874 9.335 ( -3.105 0.000 4.701) 5.634 9.385 ( 1.326 0.000 -1.004) 1.663 9.624 ( -2.828 0.000 -1.582) 3.240 9.656 ( 2.927 0.000 1.315) 3.209 9.807 ( -0.249 0.000 1.327) 1.350 9.840 ( 0.408 0.000 0.394) 0.567 9.857 ( 0.727 0.000 3.906) 3.973 9.961 ( -0.445 0.000 -2.771) 2.806 10.011 ( -1.377 0.000 -0.493) 1.463 10.023 ( -1.852 0.000 -1.082) 2.145 10.082 ( 2.370 0.000 -6.496) 6.914 10.108 ( -4.432 0.000 4.983) 6.669 10.297 ( 4.113 0.000 -2.930) 5.050 10.334 ( -0.886 0.000 2.679) 2.822 10.351 ( -1.625 0.000 -0.090) 1.627 10.417 ( 0.091 0.000 -4.883) 4.883 10.611 ( -2.300 0.000 -1.358) 2.671 10.618 ( 4.179 0.000 -2.836) 5.050 10.728 ( 1.275 0.000 2.375) 2.696 10.737 ( -2.730 0.000 -2.191) 3.500 10.800 ( -1.667 0.000 4.802) 5.083 10.946 ( 0.032 0.000 -3.341) 3.342 10.947 ( -3.520 0.000 7.611) 8.385 11.057 ( 5.438 0.000 -3.399) 6.413 11.095 ( -0.377 0.000 -2.102) 2.135 11.232 ( 5.623 0.000 -1.173) 5.744 11.507 ( -0.231 0.000 -2.892) 2.901 11.549 ( 0.113 0.000 3.383) 3.385 11.652 ( 0.728 0.000 -2.332) 2.443 11.674 ( 1.657 0.000 3.138) 3.549 11.808 ( 0.997 0.000 4.963) 5.062 11.926 ( 2.105 0.000 -9.118) 9.357 12.180 ( -6.513 0.000 9.351) 11.395 12.457 ( 1.292 0.000 -12.176) 12.244 12.525 ( 3.937 0.000 -10.105) 10.845 12.606 ( 3.495 0.000 5.642) 6.637 13.344 ( -11.440 0.000 5.165) 12.552 13.434 ( -5.134 0.000 -9.960) 11.205 13.658 ( 1.378 0.000 1.926) 2.368 13.910 ( 1.359 0.000 8.286) 8.397 13.982 ( -2.669 0.000 -1.559) 3.091 14.103 ( 2.650 0.000 2.063) 3.359 14.270 ( 2.266 0.000 2.186) 3.148 14.349 ( 3.339 0.000 -7.622) 8.321 14.778 ( -0.396 0.000 4.775) 4.792 14.793 ( 0.831 0.000 2.656) 2.783 14.834 ( 0.280 0.000 -0.256) 0.379 14.901 ( -0.337 0.000 -3.022) 3.041 15.233 ( -1.297 0.000 6.779) 6.902 15.290 ( 0.348 0.000 -3.379) 3.397 17.066 ( 2.708 0.000 3.056) 4.083 17.086 ( 2.168 0.000 -7.813) 8.109 17.359 ( -5.737 0.000 0.926) 5.811 17.426 ( -2.588 0.000 -2.935) 3.913 17.870 ( -13.247 0.000 -1.512) 13.333 18.048 ( -11.603 0.000 -0.222) 11.605 18.559 ( 2.621 0.000 0.556) 2.679 18.630 ( 3.721 0.000 1.392) 3.973 18.715 ( -4.492 0.000 -0.883) 4.578 18.812 ( -7.101 0.000 -8.793) 11.302 19.192 ( 1.247 0.000 1.007) 1.603 19.192 ( 1.830 0.000 0.730) 1.971 19.272 ( -3.269 0.000 0.312) 3.284 19.482 ( 2.676 0.000 -6.695) 7.210 19.619 ( -3.345 0.000 -0.007) 3.345 19.633 ( 0.707 0.000 0.935) 1.172 20.010 ( 6.104 0.000 16.457) 17.553 20.161 ( 9.138 0.000 -0.062) 9.138 20.554 ( 3.925 0.000 4.070) 5.654 20.611 ( 4.322 0.000 -1.051) 4.448 20.769 ( -0.563 0.000 -3.103) 3.154 20.847 ( 4.336 0.000 4.680) 6.380 21.001 ( 5.610 0.000 7.837) 9.638 21.170 ( 10.995 0.000 -6.147) 12.597 22.359 ( -3.298 0.000 -0.688) 3.369 22.418 ( -2.038 0.000 1.241) 2.386 22.437 ( -1.345 0.000 -0.009) 1.345 22.439 ( -1.027 0.000 -0.908) 1.371 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -7.408 0.000 17.252) 18.775 1.024 ( -13.200 0.000 23.021) 26.537 1.366 ( 6.578 0.000 -16.984) 18.214 1.589 ( -28.723 0.000 6.165) 29.377 1.619 ( -8.574 0.000 -11.446) 14.301 1.668 ( -9.018 0.000 7.559) 11.768 1.893 ( -5.439 0.000 -7.625) 9.366 2.035 ( 0.428 0.000 3.339) 3.366 2.053 ( -3.885 0.000 2.101) 4.417 2.231 ( -7.480 0.000 -6.127) 9.669 2.244 ( 1.884 0.000 -0.932) 2.102 2.337 ( -2.416 0.000 -3.880) 4.571 2.421 ( -1.796 0.000 -0.040) 1.797 2.592 ( -0.343 0.000 4.774) 4.787 2.602 ( 4.526 0.000 -2.131) 5.003 2.707 ( 0.208 0.000 0.143) 0.252 2.710 ( -5.125 0.000 0.374) 5.139 2.804 ( -1.370 0.000 -4.141) 4.361 2.823 ( -2.716 0.000 0.420) 2.748 2.850 ( -9.078 0.000 0.134) 9.079 2.971 ( -2.082 0.000 3.026) 3.673 3.052 ( -2.148 0.000 1.903) 2.870 3.090 ( 3.390 0.000 -2.164) 4.022 3.137 ( 0.573 0.000 -1.863) 1.949 3.138 ( -3.050 0.000 1.243) 3.294 3.237 ( 3.729 0.000 -0.553) 3.769 3.252 ( 1.320 0.000 -1.928) 2.337 3.298 ( -6.286 0.000 -5.417) 8.298 3.349 ( -4.361 0.000 0.218) 4.366 3.365 ( 3.509 0.000 1.194) 3.707 3.434 ( 2.104 0.000 5.018) 5.441 3.529 ( 5.777 0.000 1.580) 5.989 3.556 ( -5.598 0.000 -2.083) 5.973 3.618 ( -0.933 0.000 3.455) 3.578 3.650 ( -2.793 0.000 -1.758) 3.301 3.667 ( -6.445 0.000 -4.409) 7.809 3.726 ( 8.203 0.000 -7.863) 11.363 3.805 ( 3.831 0.000 2.065) 4.352 3.949 ( -7.241 0.000 -5.930) 9.359 3.967 ( -1.195 0.000 5.513) 5.641 3.971 ( -4.148 0.000 -7.342) 8.433 4.122 ( -0.714 0.000 -1.724) 1.866 4.197 ( -0.045 0.000 3.532) 3.533 4.278 ( 5.474 0.000 -1.030) 5.570 4.376 ( 6.961 0.000 2.766) 7.490 4.503 ( 4.095 0.000 8.532) 9.464 4.511 ( -2.196 0.000 0.586) 2.273 4.541 ( -0.368 0.000 -6.095) 6.106 4.600 ( -2.690 0.000 4.600) 5.329 4.751 ( -2.240 0.000 0.855) 2.397 4.777 ( -1.117 0.000 -2.010) 2.300 4.953 ( -1.369 0.000 -7.344) 7.471 5.008 ( -4.160 0.000 6.807) 7.977 5.086 ( -0.486 0.000 -0.289) 0.565 5.195 ( 3.627 0.000 -2.668) 4.503 5.207 ( 10.711 0.000 0.722) 10.735 5.297 ( 1.245 0.000 6.086) 6.213 5.383 ( 7.353 0.000 -5.112) 8.955 5.490 ( -5.556 0.000 1.238) 5.692 5.535 ( 3.918 0.000 1.406) 4.163 5.601 ( 6.030 0.000 -0.030) 6.030 5.624 ( -2.382 0.000 -3.570) 4.292 5.695 ( 6.508 0.000 0.351) 6.518 5.800 ( 6.706 0.000 4.471) 8.060 5.973 ( 3.944 0.000 0.617) 3.992 5.979 ( 8.849 0.000 1.502) 8.975 5.979 ( 1.256 0.000 1.691) 2.107 6.025 ( -4.271 0.000 -2.971) 5.203 6.127 ( -1.788 0.000 -0.670) 1.909 6.259 ( -1.777 0.000 -3.637) 4.048 6.469 ( -0.865 0.000 -1.405) 1.650 6.473 ( -0.550 0.000 -3.408) 3.452 6.614 ( -1.604 0.000 0.517) 1.686 6.623 ( 1.319 0.000 1.137) 1.741 6.659 ( -1.006 0.000 1.488) 1.796 6.750 ( 9.468 0.000 2.580) 9.813 6.762 ( 2.449 0.000 -0.269) 2.463 6.986 ( 0.932 0.000 -3.411) 3.536 7.054 ( 8.233 0.000 -0.629) 8.257 7.079 ( -6.039 0.000 -2.885) 6.692 7.098 ( 1.552 0.000 6.566) 6.747 7.276 ( -4.270 0.000 8.375) 9.401 7.478 ( -1.229 0.000 4.446) 4.612 7.526 ( -5.354 0.000 4.755) 7.161 7.707 ( -2.413 0.000 -2.464) 3.448 7.760 ( -1.097 0.000 -5.199) 5.313 7.871 ( -6.308 0.000 2.676) 6.852 7.877 ( -2.393 0.000 -3.217) 4.009 7.929 ( 1.331 0.000 1.442) 1.963 8.054 ( -5.878 0.000 0.672) 5.916 8.271 ( 7.680 0.000 -5.657) 9.539 8.300 ( 3.250 0.000 -3.065) 4.467 8.642 ( -5.920 0.000 -8.594) 10.436 8.655 ( -11.609 0.000 2.101) 11.797 8.764 ( -2.675 0.000 0.452) 2.712 8.795 ( 2.061 0.000 5.469) 5.845 8.873 ( -8.136 0.000 0.631) 8.160 8.954 ( 1.807 0.000 0.789) 1.972 9.063 ( 2.015 0.000 1.672) 2.618 9.066 ( 2.810 0.000 -0.310) 2.827 9.239 ( 8.702 0.000 -5.091) 10.082 9.322 ( 0.316 0.000 3.044) 3.060 9.339 ( 4.670 0.000 -4.856) 6.737 9.442 ( 4.484 0.000 2.690) 5.229 9.550 ( -3.303 0.000 -2.580) 4.191 9.663 ( -4.242 0.000 -5.821) 7.203 9.770 ( -7.252 0.000 3.618) 8.105 9.772 ( -2.954 0.000 2.450) 3.838 9.890 ( -1.669 0.000 -7.157) 7.349 9.924 ( 1.554 0.000 1.482) 2.148 9.968 ( -2.654 0.000 0.736) 2.754 10.009 ( -0.258 0.000 0.929) 0.964 10.071 ( -2.575 0.000 4.108) 4.848 10.164 ( 5.373 0.000 0.475) 5.394 10.226 ( -3.061 0.000 -1.149) 3.270 10.328 ( -1.877 0.000 -1.823) 2.617 10.340 ( -2.086 0.000 -1.688) 2.683 10.409 ( 1.154 0.000 1.074) 1.577 10.523 ( -4.531 0.000 -8.021) 9.212 10.663 ( -0.442 0.000 2.610) 2.647 10.677 ( 3.175 0.000 -2.140) 3.829 10.722 ( -4.901 0.000 1.179) 5.041 10.848 ( 3.427 0.000 4.506) 5.661 10.929 ( -3.468 0.000 8.701) 9.366 10.960 ( 2.165 0.000 -0.434) 2.208 11.057 ( -3.361 0.000 0.003) 3.361 11.142 ( 5.145 0.000 -2.383) 5.670 11.288 ( 1.918 0.000 -5.356) 5.689 11.518 ( 2.737 0.000 1.224) 2.998 11.557 ( -1.698 0.000 4.497) 4.807 11.656 ( 1.178 0.000 -2.313) 2.595 11.697 ( -0.520 0.000 -0.205) 0.559 11.870 ( 2.002 0.000 3.338) 3.893 11.920 ( 3.989 0.000 -8.346) 9.250 12.122 ( -6.383 0.000 9.511) 11.454 12.370 ( -1.379 0.000 -12.717) 12.791 12.564 ( 5.865 0.000 -7.302) 9.366 12.654 ( -1.402 0.000 1.487) 2.044 13.177 ( -8.998 0.000 5.400) 10.494 13.248 ( -7.417 0.000 -5.538) 9.256 13.732 ( 3.830 0.000 3.203) 4.992 13.914 ( -1.968 0.000 -1.754) 2.636 14.004 ( -0.085 0.000 12.907) 12.908 14.170 ( 3.160 0.000 2.204) 3.853 14.310 ( 1.077 0.000 -0.651) 1.258 14.345 ( 1.856 0.000 -8.842) 9.035 14.772 ( -2.395 0.000 4.881) 5.437 14.821 ( -0.067 0.000 2.955) 2.956 14.874 ( 3.332 0.000 -2.894) 4.414 14.874 ( -0.016 0.000 -3.259) 3.260 15.270 ( 0.280 0.000 4.448) 4.457 15.284 ( 1.480 0.000 -3.155) 3.485 17.057 ( 0.805 0.000 -6.806) 6.853 17.143 ( 3.526 0.000 2.415) 4.274 17.235 ( -7.985 0.000 0.428) 7.997 17.345 ( -3.866 0.000 -2.884) 4.823 17.653 ( -8.973 0.000 1.561) 9.108 17.839 ( -9.638 0.000 -2.419) 9.937 18.574 ( -4.986 0.000 0.490) 5.010 18.578 ( -2.573 0.000 -1.319) 2.891 18.637 ( -4.713 0.000 0.815) 4.783 18.711 ( 1.687 0.000 -4.174) 4.502 19.211 ( -0.283 0.000 1.555) 1.581 19.215 ( -0.252 0.000 -0.212) 0.329 19.264 ( 2.216 0.000 3.190) 3.884 19.458 ( -2.405 0.000 -1.764) 2.982 19.616 ( 3.320 0.000 -1.616) 3.693 19.660 ( 0.846 0.000 0.676) 1.083 20.287 ( 13.244 0.000 10.341) 16.803 20.342 ( 8.412 0.000 2.711) 8.838 20.614 ( 1.139 0.000 -1.513) 1.894 20.704 ( 5.725 0.000 1.035) 5.817 20.726 ( -2.449 0.000 -3.016) 3.885 20.918 ( 1.133 0.000 -1.148) 1.613 21.215 ( 9.939 0.000 10.107) 14.175 21.325 ( 8.705 0.000 -4.006) 9.583 22.308 ( -1.626 0.000 0.165) 1.634 22.376 ( -2.512 0.000 -0.258) 2.525 22.407 ( -1.727 0.000 -0.264) 1.747 22.408 ( -2.026 0.000 -0.708) 2.146 ======================= Grid point 77 (41/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.643 -2.056 20.765) 20.876 1.042 ( -3.303 9.048 19.219) 21.497 1.288 ( -6.080 -3.729 -15.089) 16.690 1.375 ( 7.679 0.471 -15.975) 17.731 1.645 ( -2.684 6.724 -1.603) 7.415 1.730 ( 2.303 0.145 -3.299) 4.026 1.797 ( -0.519 16.784 3.239) 17.101 1.923 ( 0.258 1.349 -5.550) 5.718 2.079 ( 5.382 2.046 5.699) 8.101 2.175 ( -2.753 0.355 -3.833) 4.733 2.220 ( 1.244 -4.214 6.709) 8.019 2.349 ( -1.281 0.240 -5.063) 5.228 2.496 ( 3.510 0.705 8.174) 8.923 2.570 ( -5.760 0.502 4.626) 7.405 2.608 ( -1.912 -0.650 0.047) 2.020 2.656 ( 4.900 1.704 -2.741) 5.868 2.743 ( 3.441 2.632 -1.874) 4.720 2.750 ( -3.346 5.235 -3.008) 6.903 2.828 ( -0.444 4.203 4.393) 6.096 2.864 ( 0.033 6.625 2.870) 7.220 2.921 ( -4.574 4.338 1.556) 6.493 3.036 ( 3.414 -2.772 2.166) 4.902 3.084 ( -3.593 -1.489 -2.479) 4.612 3.104 ( 1.317 1.966 -0.904) 2.533 3.188 ( -1.810 -3.366 -0.017) 3.822 3.194 ( -1.791 -1.869 -0.670) 2.674 3.257 ( 0.090 0.672 -4.845) 4.892 3.301 ( 4.664 6.180 -9.031) 11.896 3.354 ( 2.043 -2.982 0.990) 3.748 3.362 ( -0.246 -2.091 -0.387) 2.141 3.485 ( 0.980 0.183 1.274) 1.618 3.505 ( -1.791 -0.614 2.048) 2.789 3.549 ( -3.073 0.560 -3.760) 4.889 3.567 ( -0.885 0.585 -3.483) 3.641 3.673 ( 4.375 2.653 1.198) 5.255 3.689 ( -0.485 3.262 -0.135) 3.301 3.755 ( -5.289 7.591 2.044) 9.474 3.840 ( -1.925 3.391 -1.158) 4.067 3.880 ( 5.945 -0.671 -2.125) 6.348 3.915 ( 1.061 -3.758 -1.885) 4.336 4.031 ( 0.705 1.211 6.046) 6.206 4.092 ( -1.905 2.519 -1.187) 3.374 4.211 ( 4.821 -5.377 2.262) 7.568 4.269 ( -2.010 -4.771 -2.003) 5.551 4.388 ( -3.224 -4.687 3.313) 6.583 4.437 ( -0.550 -5.418 2.678) 6.069 4.500 ( 2.636 -1.740 -1.561) 3.523 4.568 ( -2.395 -0.671 2.377) 3.440 4.597 ( 1.295 -3.515 5.040) 6.280 4.692 ( 0.824 -7.677 -1.108) 7.800 4.748 ( -1.080 -2.862 -0.308) 3.074 4.788 ( 2.632 -7.851 -2.840) 8.754 4.991 ( -0.079 1.799 -3.184) 3.658 5.024 ( -1.843 2.832 -4.139) 5.343 5.150 ( 0.106 -8.165 1.506) 8.303 5.218 ( 3.100 -10.582 -3.417) 11.544 5.288 ( -5.381 -3.221 3.677) 7.269 5.370 ( 4.144 -4.633 -5.100) 8.040 5.438 ( 0.036 -3.758 0.188) 3.763 5.485 ( -2.421 -7.027 -3.495) 8.213 5.647 ( 5.936 -0.808 4.459) 7.468 5.702 ( -5.111 0.121 -0.798) 5.175 5.837 ( 4.811 7.023 5.230) 9.991 5.903 ( -3.673 1.966 -1.176) 4.329 5.988 ( 2.836 0.683 -0.166) 2.922 6.007 ( -1.773 2.885 0.597) 3.439 6.063 ( -0.652 3.726 -0.328) 3.797 6.075 ( -0.710 3.425 -2.029) 4.044 6.210 ( -0.038 9.983 -0.845) 10.019 6.231 ( -0.718 7.702 -2.039) 7.999 6.440 ( -0.706 -0.812 -1.202) 1.613 6.459 ( 0.561 -0.345 -2.552) 2.636 6.582 ( 0.644 -2.317 1.297) 2.732 6.611 ( -3.165 -0.176 -0.732) 3.253 6.666 ( 3.618 -1.320 1.698) 4.209 6.705 ( -2.080 -3.313 -1.601) 4.227 6.911 ( -6.550 -0.401 1.495) 6.730 6.946 ( 5.850 0.362 -1.446) 6.037 7.166 ( -0.891 8.565 6.984) 11.087 7.194 ( -7.018 -0.779 4.899) 8.594 7.223 ( 2.020 3.729 3.755) 5.665 7.288 ( 4.194 6.183 0.750) 7.508 7.466 ( 3.244 1.814 2.396) 4.422 7.517 ( 2.356 1.866 -1.119) 3.207 7.608 ( -2.639 -2.197 0.006) 3.434 7.679 ( 0.120 -2.407 -7.463) 7.842 7.835 ( -0.384 1.048 2.962) 3.165 7.842 ( -0.312 0.345 1.278) 1.360 8.012 ( 2.025 2.901 2.299) 4.219 8.056 ( -2.427 4.617 -1.429) 5.408 8.297 ( -2.248 -1.295 0.435) 2.631 8.393 ( -2.016 -3.731 -8.425) 9.432 8.491 ( 3.747 3.010 1.737) 5.111 8.528 ( -1.736 3.259 -2.052) 4.224 8.699 ( 0.208 -2.158 1.536) 2.657 8.734 ( 0.954 -3.252 -1.685) 3.785 8.874 ( -0.251 -1.052 4.380) 4.512 8.967 ( 1.719 -1.429 -5.350) 5.798 9.089 ( 1.164 -0.258 3.248) 3.459 9.131 ( -1.580 -0.183 -1.438) 2.144 9.359 ( -8.270 4.567 3.248) 9.990 9.402 ( 1.571 3.380 -1.100) 3.886 9.411 ( 5.254 1.717 1.936) 5.856 9.466 ( -3.970 1.774 -2.070) 4.816 9.498 ( 6.336 3.902 0.265) 7.446 9.615 ( -3.840 4.245 -9.772) 11.325 9.738 ( -3.580 -0.479 4.452) 5.733 9.745 ( 1.741 4.953 2.056) 5.638 9.837 ( -0.090 -1.052 4.556) 4.677 9.894 ( 0.779 -2.173 -0.833) 2.454 9.945 ( -0.712 -4.823 1.311) 5.048 9.995 ( -0.373 -0.566 0.176) 0.700 10.039 ( 3.946 -1.366 5.755) 7.110 10.151 ( -1.036 -3.954 -4.094) 5.785 10.214 ( 0.650 -1.957 -0.619) 2.154 10.235 ( -1.168 -0.718 -4.334) 4.545 10.306 ( -2.169 -7.722 1.994) 8.265 10.398 ( 2.941 -1.603 -3.518) 4.857 10.537 ( 0.820 -1.956 3.278) 3.904 10.636 ( -2.314 -2.322 -4.391) 5.479 10.660 ( 0.372 4.368 0.822) 4.460 10.703 ( 2.379 2.202 -2.777) 4.268 10.882 ( -0.532 -2.187 6.929) 7.285 10.904 ( 1.736 -0.728 1.756) 2.574 10.957 ( -4.788 -2.693 1.216) 5.627 11.063 ( 4.551 -0.472 -6.161) 7.674 11.233 ( -0.013 5.683 2.933) 6.396 11.290 ( -1.467 4.444 -2.696) 5.401 11.524 ( 1.749 -1.863 5.453) 6.022 11.618 ( -2.219 -2.961 -2.495) 4.463 11.624 ( 0.314 0.945 2.039) 2.269 11.693 ( -0.477 2.846 -4.404) 5.266 11.902 ( -1.554 -0.096 1.606) 2.237 11.946 ( 1.736 -2.048 -2.556) 3.707 11.995 ( -0.575 -6.261 9.402) 11.310 12.201 ( 1.362 -8.440 -11.876) 14.633 12.607 ( -5.256 2.565 -0.670) 5.887 12.633 ( 5.204 1.926 -3.361) 6.487 13.164 ( -1.494 4.576 6.060) 7.739 13.267 ( 2.723 5.715 -5.413) 8.330 13.776 ( 3.348 -2.815 2.810) 5.199 13.821 ( -3.050 -3.448 -1.261) 4.773 13.994 ( 0.061 -5.816 8.258) 10.101 14.145 ( -0.255 -8.605 -7.553) 11.453 14.350 ( -0.180 7.769 5.014) 9.248 14.427 ( 0.885 5.614 -2.906) 6.383 14.775 ( -0.665 -0.639 2.785) 2.933 14.785 ( 0.011 -2.078 1.216) 2.408 14.873 ( -1.492 1.840 1.971) 3.081 14.933 ( 0.923 2.041 -3.136) 3.853 15.212 ( -3.159 -2.355 5.774) 6.991 15.290 ( 1.858 -1.689 -2.836) 3.788 17.147 ( 5.588 4.428 0.041) 7.130 17.167 ( -4.258 4.839 -2.175) 6.802 17.311 ( -0.475 5.204 0.279) 5.234 17.334 ( -0.291 5.880 -2.173) 6.276 17.665 ( 0.972 8.111 5.414) 9.800 17.784 ( -2.140 11.781 -7.946) 14.370 18.505 ( -0.491 -1.627 0.481) 1.766 18.513 ( -0.196 -1.546 -0.394) 1.607 18.636 ( -0.270 0.781 3.619) 3.712 18.722 ( -0.139 2.721 -5.791) 6.400 19.055 ( 1.164 -13.732 7.393) 15.639 19.181 ( 0.237 -5.638 -5.688) 8.012 19.372 ( 0.777 1.655 1.425) 2.318 19.397 ( -0.520 0.421 -1.523) 1.663 19.634 ( 0.963 -1.885 0.143) 2.121 19.649 ( -0.610 -1.693 -1.468) 2.323 20.380 ( -0.019 -4.303 4.649) 6.334 20.455 ( 1.650 -5.913 -2.909) 6.793 20.621 ( 5.827 1.026 2.571) 6.451 20.653 ( -4.427 -0.947 -0.628) 4.570 20.873 ( 0.285 4.506 -0.127) 4.517 20.893 ( -1.571 3.626 -2.113) 4.481 21.287 ( -2.178 -4.203 7.588) 8.944 21.402 ( 2.264 -2.636 -5.468) 6.479 22.316 ( 1.349 0.463 0.989) 1.736 22.335 ( -1.501 0.285 -0.955) 1.802 22.366 ( -0.111 -0.567 0.820) 1.003 22.380 ( -0.091 -0.571 -0.638) 0.861 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.249 2.415 14.860) 15.057 1.129 ( 2.865 5.054 -11.687) 13.051 1.383 ( 15.983 2.589 14.963) 22.047 1.513 ( 11.753 0.984 -12.774) 17.386 1.635 ( 3.148 0.888 0.697) 3.344 1.783 ( 6.971 -0.255 -8.082) 10.676 1.883 ( 6.451 2.670 4.876) 8.516 1.998 ( 9.398 6.606 -2.075) 11.674 2.098 ( 1.027 -2.828 -4.196) 5.164 2.200 ( 0.646 5.002 -2.683) 5.713 2.288 ( 0.924 -3.971 2.325) 4.694 2.310 ( 3.794 4.449 0.410) 5.862 2.496 ( -1.295 3.995 -1.599) 4.494 2.560 ( -2.099 -1.274 0.700) 2.553 2.594 ( -2.418 -0.774 2.368) 3.472 2.701 ( 4.545 1.233 -0.957) 4.806 2.728 ( -0.375 -0.590 2.320) 2.423 2.741 ( 1.106 -1.448 -0.181) 1.831 2.860 ( -1.092 1.883 1.907) 2.893 2.908 ( -1.122 1.571 2.584) 3.225 2.964 ( 0.090 4.759 6.055) 7.702 3.026 ( 2.047 0.863 5.280) 5.729 3.114 ( -1.586 -1.216 -1.168) 2.315 3.143 ( 3.401 2.806 2.926) 5.292 3.165 ( 9.357 -0.322 -2.466) 9.682 3.225 ( 2.305 1.050 0.494) 2.581 3.231 ( 2.263 1.452 -5.034) 5.707 3.287 ( -1.732 2.054 -6.079) 6.647 3.345 ( 1.647 -0.396 -1.048) 1.992 3.422 ( 4.845 2.616 -3.654) 6.608 3.464 ( -1.228 3.789 0.157) 3.987 3.506 ( 2.149 -0.453 5.790) 6.193 3.564 ( -0.158 0.050 1.066) 1.079 3.616 ( 3.725 1.429 1.039) 4.123 3.627 ( -3.765 1.455 -2.374) 4.683 3.704 ( 3.823 5.400 -3.394) 7.436 3.747 ( -3.876 -3.036 1.581) 5.171 3.781 ( 4.533 2.923 2.645) 6.007 3.931 ( 3.280 4.449 -7.055) 8.962 3.999 ( 1.071 2.476 0.951) 2.860 4.059 ( 0.904 2.064 -2.138) 3.106 4.095 ( 2.252 1.637 4.493) 5.286 4.217 ( 0.902 -3.698 -4.899) 6.204 4.261 ( -2.548 -0.866 -1.607) 3.134 4.367 ( 0.293 -6.227 4.374) 7.615 4.454 ( 1.179 -4.318 5.325) 6.956 4.481 ( -5.139 -1.331 -5.925) 7.956 4.544 ( -0.227 -0.973 2.525) 2.715 4.626 ( -1.426 -9.708 6.536) 11.790 4.697 ( 0.379 -5.038 -1.945) 5.414 4.713 ( 0.100 -6.295 -4.548) 7.767 4.835 ( 3.936 -4.308 -3.418) 6.762 5.004 ( 1.816 -0.017 0.684) 1.941 5.078 ( 7.364 0.690 2.501) 7.808 5.093 ( -6.033 -4.742 -2.961) 8.225 5.149 ( -6.547 -8.483 0.590) 10.732 5.245 ( -1.642 -6.587 -0.257) 6.794 5.392 ( -0.601 -2.838 -4.049) 4.981 5.433 ( -4.114 -3.101 2.280) 5.634 5.451 ( 1.560 -3.098 0.133) 3.471 5.538 ( -7.034 1.925 -1.609) 7.468 5.703 ( -3.734 -0.939 3.518) 5.215 5.783 ( -3.368 0.638 -4.079) 5.329 5.914 ( -4.852 5.429 -3.013) 7.880 5.953 ( 0.546 4.025 2.807) 4.937 6.004 ( -3.305 0.807 1.345) 3.659 6.013 ( -3.201 1.431 2.158) 4.117 6.057 ( -1.742 5.028 -1.508) 5.530 6.192 ( -1.987 6.059 1.814) 6.629 6.251 ( 1.025 7.005 0.939) 7.142 6.430 ( 1.192 -1.347 0.793) 1.966 6.466 ( 0.009 1.517 -0.925) 1.777 6.546 ( -2.688 -6.065 3.108) 7.326 6.574 ( -2.088 -3.812 -2.932) 5.243 6.671 ( 0.829 -1.473 0.102) 1.693 6.751 ( 1.284 1.754 0.125) 2.178 6.802 ( -4.303 1.955 0.431) 4.746 6.969 ( -4.703 -3.337 1.961) 6.091 7.093 ( -0.922 9.384 0.652) 9.452 7.120 ( -4.315 6.736 3.936) 8.915 7.194 ( -6.431 5.336 2.196) 8.640 7.377 ( 2.220 -3.365 -1.314) 4.240 7.546 ( 0.515 0.667 -2.572) 2.706 7.570 ( 3.175 -0.688 -1.363) 3.523 7.644 ( 7.175 -0.041 1.766) 7.389 7.688 ( 3.557 -2.176 -2.982) 5.126 7.842 ( 1.549 1.736 1.552) 2.797 7.930 ( 6.865 1.816 0.429) 7.114 7.982 ( -3.242 1.563 -2.031) 4.133 8.063 ( 2.130 -0.075 2.506) 3.289 8.186 ( -5.067 2.573 1.126) 5.793 8.311 ( -3.664 1.418 0.536) 3.965 8.544 ( 3.858 2.752 0.554) 4.771 8.678 ( 9.289 -1.710 -1.373) 9.545 8.755 ( 6.512 -0.200 -0.399) 6.527 8.853 ( 8.549 -3.661 -0.716) 9.327 8.869 ( -2.036 -1.122 1.965) 3.044 8.942 ( -1.644 -2.946 -1.956) 3.900 9.024 ( -3.824 0.433 -0.688) 3.909 9.113 ( -1.411 2.125 1.950) 3.211 9.249 ( -7.022 4.910 3.444) 9.234 9.334 ( -5.101 7.490 -0.813) 9.098 9.401 ( 0.865 2.564 -4.024) 4.849 9.505 ( 2.912 0.111 2.909) 4.118 9.572 ( 0.877 3.001 -7.162) 7.815 9.616 ( 3.857 3.850 4.727) 7.214 9.735 ( 0.572 -3.319 4.388) 5.532 9.785 ( -0.417 0.863 2.830) 2.988 9.846 ( 1.430 1.806 -3.010) 3.790 9.908 ( -2.618 -4.043 2.088) 5.249 9.947 ( 2.830 -1.581 1.250) 3.475 10.003 ( 1.243 0.877 0.002) 1.521 10.104 ( 2.601 -3.436 -6.874) 8.113 10.164 ( -2.393 -2.374 -0.269) 3.381 10.211 ( 4.183 -2.916 0.266) 5.106 10.242 ( 3.555 -1.425 1.333) 4.055 10.329 ( 2.801 -5.559 4.788) 7.853 10.402 ( 0.662 -4.583 -5.884) 7.488 10.483 ( -5.479 3.192 -0.186) 6.344 10.562 ( -3.370 -3.492 1.578) 5.103 10.681 ( 1.237 -2.522 -1.746) 3.308 10.794 ( 3.663 2.488 -3.037) 5.370 10.887 ( -0.192 0.085 -2.363) 2.372 10.902 ( -2.180 -2.022 8.714) 9.208 10.945 ( 1.902 -1.627 -0.801) 2.628 11.109 ( 3.813 -2.382 -6.429) 7.845 11.185 ( -3.749 6.860 1.272) 7.920 11.286 ( -0.756 4.984 1.241) 5.191 11.507 ( -4.632 -3.259 -2.441) 6.167 11.603 ( -1.238 0.311 2.274) 2.608 11.613 ( 1.010 -1.785 3.164) 3.771 11.691 ( 0.068 4.643 -0.140) 4.645 11.845 ( -3.230 -2.065 -0.151) 3.836 11.936 ( -0.509 1.147 -1.235) 1.760 12.103 ( 3.971 -5.798 7.227) 10.080 12.208 ( 5.942 -8.277 -9.557) 13.970 12.508 ( -5.243 3.152 0.739) 6.162 12.713 ( 4.696 1.128 -2.895) 5.631 13.198 ( 1.214 2.362 4.578) 5.292 13.314 ( 6.327 2.265 -6.148) 9.108 13.728 ( -4.121 -4.890 -2.377) 6.822 13.860 ( 2.638 -2.241 2.125) 4.061 14.001 ( -2.753 -7.395 2.251) 8.206 14.130 ( 1.590 -5.690 -1.066) 6.003 14.353 ( -2.589 7.200 2.632) 8.091 14.403 ( -0.607 6.654 -4.020) 7.798 14.782 ( -0.018 -2.164 1.078) 2.418 14.797 ( -0.250 -0.976 1.651) 1.934 14.854 ( -1.348 2.428 2.907) 4.020 14.928 ( 0.230 2.698 -1.927) 3.323 15.196 ( -1.875 -0.219 5.043) 5.384 15.306 ( 1.468 -1.697 -2.544) 3.392 17.075 ( -2.967 7.842 -1.404) 8.502 17.220 ( 0.678 4.779 0.076) 4.828 17.331 ( 2.358 1.507 1.156) 3.028 17.374 ( 5.294 9.059 -1.792) 10.644 17.759 ( 4.085 7.403 -3.963) 9.338 17.789 ( 7.789 4.112 5.521) 10.395 18.513 ( -0.534 -6.195 0.216) 6.222 18.540 ( 2.273 -2.434 1.088) 3.503 18.635 ( 1.413 1.262 0.928) 2.109 18.749 ( 3.817 5.105 -1.358) 6.517 19.100 ( -0.359 -13.073 0.972) 13.114 19.146 ( 0.439 -7.734 -2.841) 8.250 19.332 ( -1.870 2.563 -0.361) 3.193 19.456 ( 3.069 1.317 -0.900) 3.459 19.602 ( -1.114 -0.035 -0.486) 1.215 19.663 ( 0.709 -1.601 -0.225) 1.766 20.330 ( -7.780 -4.000 1.492) 8.875 20.395 ( -3.963 -2.160 -5.138) 6.839 20.561 ( -3.326 -0.082 -1.079) 3.498 20.715 ( 1.882 -2.078 0.790) 2.913 20.763 ( -7.229 5.617 1.261) 9.241 20.920 ( 0.229 2.309 0.846) 2.469 21.200 ( -11.346 -2.156 7.237) 13.629 21.328 ( -5.879 -2.469 -6.023) 8.771 22.322 ( 0.875 0.660 -0.690) 1.296 22.366 ( 3.097 0.324 0.973) 3.262 22.388 ( 1.502 -1.197 -0.063) 1.922 22.400 ( 2.180 -0.469 0.152) 2.235 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 9.155 2.013 6.091) 11.179 1.267 ( 12.977 9.491 0.197) 16.079 1.516 ( 1.850 -3.040 -4.830) 5.999 1.707 ( 14.962 6.033 -7.870) 17.950 1.846 ( 11.428 -1.746 12.993) 17.391 1.866 ( 5.196 -0.095 -5.123) 7.298 2.010 ( 3.573 2.186 4.145) 5.893 2.109 ( 0.440 -0.217 -1.686) 1.756 2.201 ( 9.051 -2.122 -3.073) 9.792 2.227 ( 10.079 1.868 1.655) 10.384 2.360 ( 3.629 -2.397 0.931) 4.447 2.393 ( 3.739 6.494 0.049) 7.494 2.443 ( -7.583 -1.276 2.475) 8.078 2.518 ( 1.085 2.123 4.580) 5.163 2.586 ( -1.088 -2.328 1.436) 2.944 2.645 ( -5.218 -7.716 -0.104) 9.316 2.740 ( -6.074 -2.625 0.258) 6.622 2.783 ( -4.405 -5.465 0.983) 7.088 2.823 ( 4.921 -0.204 -0.447) 4.945 2.884 ( 0.828 2.391 1.015) 2.727 3.027 ( -4.673 -0.322 3.688) 5.962 3.045 ( 8.406 0.362 -1.214) 8.501 3.109 ( -3.832 -0.633 -4.348) 5.831 3.197 ( 3.288 0.710 5.605) 6.537 3.234 ( -2.484 -1.749 2.801) 4.132 3.277 ( 8.657 7.630 -13.679) 17.896 3.318 ( 2.475 3.171 -0.284) 4.033 3.381 ( 7.564 7.056 0.097) 10.344 3.413 ( 8.185 2.458 3.425) 9.207 3.435 ( 2.838 2.849 -3.077) 5.063 3.505 ( -0.296 1.979 -0.554) 2.076 3.521 ( -0.900 4.992 -2.887) 5.837 3.557 ( 1.892 3.996 -0.603) 4.463 3.620 ( 3.083 6.194 4.763) 8.400 3.720 ( 4.451 -3.298 5.175) 7.581 3.744 ( 3.380 0.955 1.787) 3.940 3.813 ( 7.257 1.625 -2.299) 7.784 3.881 ( 5.584 -0.260 -1.658) 5.830 3.908 ( 1.194 5.635 -0.802) 5.816 4.000 ( -1.745 1.590 0.449) 2.403 4.068 ( 0.579 1.790 -0.714) 2.012 4.159 ( -3.722 1.201 2.844) 4.835 4.171 ( 0.768 1.329 -8.521) 8.658 4.231 ( 3.844 -0.983 -3.995) 5.631 4.350 ( -4.039 0.281 -6.647) 7.783 4.390 ( 0.788 -3.334 2.703) 4.364 4.486 ( -2.763 -1.725 -2.148) 3.902 4.563 ( 3.208 -2.032 6.238) 7.303 4.641 ( 0.083 -7.043 -5.607) 9.003 4.675 ( -0.240 -6.908 6.720) 9.641 4.772 ( 5.732 -3.557 1.749) 6.969 4.848 ( -6.331 -6.516 1.841) 9.270 4.940 ( -1.013 5.397 -4.470) 7.080 5.010 ( -1.970 -10.460 3.157) 11.103 5.090 ( -3.997 -0.060 6.342) 7.496 5.155 ( -9.554 -2.111 1.102) 9.847 5.247 ( 0.319 1.043 -1.704) 2.023 5.300 ( 8.645 4.301 0.155) 9.657 5.384 ( -5.020 -1.503 -2.343) 5.740 5.449 ( -2.688 -2.525 -0.559) 3.730 5.498 ( 0.691 -2.612 0.445) 2.738 5.629 ( -2.943 0.159 -0.023) 2.947 5.731 ( -1.733 -3.829 -2.823) 5.063 5.810 ( -3.615 6.850 -3.421) 8.468 5.887 ( -5.457 -3.378 0.933) 6.486 5.910 ( -4.836 4.340 -0.255) 6.503 5.971 ( -5.771 2.644 -1.167) 6.454 6.011 ( -2.509 -2.865 3.524) 5.189 6.160 ( -3.436 1.575 4.313) 5.735 6.245 ( -1.452 6.802 0.108) 6.956 6.404 ( -7.259 -3.308 0.961) 8.035 6.448 ( -0.866 -0.601 -2.310) 2.540 6.519 ( 1.665 -2.426 0.896) 3.076 6.612 ( 2.561 -5.041 -0.691) 5.697 6.616 ( -2.516 0.254 -0.206) 2.537 6.721 ( -3.562 -1.309 0.855) 3.890 6.801 ( 3.336 3.656 -0.500) 4.974 6.948 ( 0.244 0.392 1.512) 1.582 7.032 ( -3.789 6.645 1.250) 7.751 7.071 ( -6.372 4.610 0.158) 7.866 7.176 ( 3.872 2.979 2.901) 5.682 7.343 ( -2.870 -1.912 -0.990) 3.588 7.505 ( -2.258 1.037 -1.982) 3.179 7.611 ( 0.673 -0.920 -0.318) 1.184 7.745 ( 2.975 -1.734 2.987) 4.559 7.784 ( 5.649 -1.369 0.182) 5.815 7.866 ( 0.672 1.933 -0.769) 2.186 7.945 ( 2.088 -0.961 -0.573) 2.369 8.067 ( 5.500 2.190 -0.898) 5.987 8.109 ( 1.516 0.716 0.665) 1.804 8.183 ( 3.059 3.122 1.182) 4.527 8.270 ( -1.544 2.020 0.430) 2.579 8.611 ( 1.072 0.077 3.307) 3.477 8.740 ( -0.675 -2.139 -0.071) 2.244 8.844 ( 1.055 -1.256 -0.421) 1.694 8.855 ( 1.715 1.294 3.093) 3.766 8.927 ( 3.692 1.495 1.510) 4.260 8.985 ( 0.552 2.921 -2.457) 3.857 9.031 ( 4.511 -3.242 -0.551) 5.582 9.120 ( 0.839 3.339 2.681) 4.364 9.161 ( -1.412 3.567 1.364) 4.072 9.273 ( -2.480 3.249 -1.496) 4.353 9.405 ( 2.665 0.255 -7.295) 7.771 9.496 ( -1.607 2.642 -6.820) 7.488 9.570 ( 1.106 0.458 4.397) 4.557 9.694 ( -2.824 1.360 1.345) 3.411 9.760 ( 1.563 -2.131 10.038) 10.380 9.785 ( -1.271 -4.018 0.491) 4.243 9.847 ( -0.049 0.382 -0.431) 0.578 9.893 ( -0.348 -1.281 3.266) 3.526 9.994 ( 1.143 -0.710 -3.857) 4.085 10.033 ( 2.040 1.744 -1.247) 2.959 10.089 ( -1.176 1.263 -1.691) 2.416 10.151 ( 4.820 -2.008 -1.891) 5.553 10.269 ( -0.487 -1.392 -1.193) 1.896 10.307 ( 5.396 -3.103 -0.102) 6.225 10.363 ( 0.085 -2.984 -3.507) 4.605 10.404 ( -2.952 0.653 0.563) 3.075 10.483 ( 6.181 -4.516 5.977) 9.712 10.511 ( -3.134 -2.399 3.660) 5.383 10.703 ( 1.800 -1.750 -1.545) 2.948 10.740 ( -3.611 -1.730 -2.221) 4.579 10.875 ( -0.804 -1.053 -1.659) 2.123 10.918 ( -0.143 0.311 2.035) 2.063 10.995 ( 1.750 2.387 0.269) 2.972 11.073 ( -2.977 -1.736 -0.716) 3.520 11.181 ( 2.027 4.358 -3.688) 6.058 11.235 ( -4.313 2.443 -1.301) 5.125 11.448 ( -0.867 -0.799 1.161) 1.655 11.564 ( -1.772 -0.564 -0.293) 1.882 11.665 ( -2.359 2.996 3.120) 4.927 11.693 ( 1.717 -0.169 3.512) 3.913 11.810 ( -0.430 2.108 -0.267) 2.168 11.920 ( 0.662 1.426 -3.866) 4.173 12.201 ( 0.913 -5.976 8.270) 10.243 12.260 ( 5.090 -5.742 -6.630) 10.141 12.440 ( -2.564 2.389 1.806) 3.942 12.739 ( 0.761 2.313 -5.262) 5.798 13.250 ( 1.227 -5.360 3.521) 6.529 13.405 ( 6.243 -3.908 -4.614) 8.691 13.656 ( -0.592 -4.342 -3.999) 5.933 13.896 ( -0.846 -8.202 0.526) 8.263 13.973 ( 0.403 1.574 0.785) 1.804 14.153 ( -0.656 -4.088 4.098) 5.825 14.292 ( -3.493 8.090 -2.005) 9.037 14.362 ( -1.399 3.820 -3.486) 5.357 14.776 ( -0.942 -0.005 0.927) 1.321 14.801 ( -0.871 -0.125 3.007) 3.133 14.870 ( 0.683 2.111 1.863) 2.897 14.919 ( 0.305 2.728 -1.896) 3.336 15.210 ( -0.077 0.400 4.013) 4.034 15.311 ( 1.094 -0.951 -2.960) 3.296 17.049 ( -0.302 8.995 1.720) 9.163 17.202 ( -1.791 8.564 -0.292) 8.755 17.403 ( 3.842 0.984 1.652) 4.296 17.450 ( 3.779 5.833 -1.914) 7.209 17.881 ( 10.284 2.580 -0.281) 10.606 17.985 ( 9.614 -1.344 3.684) 10.383 18.457 ( -4.849 -9.396 -0.296) 10.577 18.563 ( -2.867 -5.654 2.281) 6.738 18.732 ( 7.041 1.501 0.281) 7.204 18.803 ( 3.550 3.433 -1.336) 5.115 19.096 ( 2.681 -10.129 -2.793) 10.844 19.172 ( 1.049 -5.500 3.763) 6.747 19.300 ( -1.203 3.858 -2.065) 4.538 19.445 ( -1.774 1.502 -2.491) 3.407 19.622 ( 1.630 -0.014 -0.709) 1.777 19.683 ( 2.485 1.162 -0.041) 2.744 20.157 ( -8.964 -1.057 -2.868) 9.471 20.265 ( -5.651 1.363 -7.098) 9.175 20.520 ( -2.124 -1.179 2.087) 3.203 20.638 ( -5.065 0.966 -0.460) 5.176 20.744 ( -0.673 2.022 3.288) 3.918 20.895 ( -3.051 0.486 0.534) 3.136 21.013 ( -13.080 -0.702 7.648) 15.168 21.144 ( -8.059 -1.963 -7.590) 11.243 22.355 ( 2.524 0.469 0.166) 2.573 22.412 ( 1.214 -1.156 0.321) 1.707 22.429 ( 2.630 0.003 0.449) 2.668 22.439 ( 1.882 -0.302 -0.620) 2.004 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 5.211 -2.084 5.710) 8.006 1.435 ( 4.001 0.485 0.857) 4.120 1.673 ( 16.207 1.063 -1.827) 16.344 1.893 ( -4.875 -0.444 2.296) 5.407 1.954 ( 11.401 2.259 -8.302) 14.283 1.970 ( 13.519 3.345 -6.945) 15.562 2.056 ( -9.395 -0.397 7.325) 11.920 2.135 ( -10.365 3.074 4.378) 11.664 2.235 ( 2.901 5.773 8.345) 10.553 2.338 ( -2.000 -4.627 2.814) 5.773 2.382 ( 10.738 -2.221 -1.892) 11.128 2.430 ( 1.052 -4.068 1.142) 4.354 2.482 ( 3.433 1.428 -2.457) 4.457 2.545 ( -2.165 -1.523 4.548) 5.262 2.600 ( -3.342 -4.332 4.823) 7.293 2.617 ( 3.723 -2.109 1.875) 4.672 2.687 ( 1.537 -3.417 3.408) 5.064 2.751 ( 3.909 -2.398 -2.902) 5.427 2.831 ( -5.663 1.017 -0.016) 5.754 2.923 ( 1.744 -1.442 -5.513) 5.959 2.958 ( -0.535 2.522 2.219) 3.401 3.042 ( -1.993 0.013 0.476) 2.049 3.152 ( 1.990 -3.776 -0.886) 4.359 3.158 ( -4.600 1.901 -2.196) 5.440 3.239 ( -2.241 0.454 3.917) 4.536 3.321 ( -0.997 6.249 -2.725) 6.890 3.333 ( 2.417 5.699 -1.566) 6.386 3.428 ( -0.609 6.443 1.440) 6.630 3.441 ( 2.230 0.381 -2.835) 3.627 3.490 ( 3.630 2.509 -1.531) 4.671 3.538 ( 0.370 2.592 0.083) 2.619 3.614 ( 6.440 1.531 -2.506) 7.078 3.647 ( 6.908 0.656 0.099) 6.940 3.690 ( 4.456 3.698 -0.093) 5.791 3.720 ( -5.117 -0.087 1.032) 5.221 3.802 ( -3.462 2.260 -6.874) 8.022 3.830 ( 2.029 1.276 -1.618) 2.891 3.933 ( -5.553 1.413 3.076) 6.503 3.987 ( -2.568 2.694 -3.082) 4.832 4.003 ( 5.932 -0.916 -1.911) 6.299 4.042 ( -3.884 1.000 2.003) 4.483 4.083 ( -0.144 1.557 -6.248) 6.441 4.188 ( 3.739 0.222 4.424) 5.796 4.249 ( 2.601 1.642 -3.695) 4.807 4.298 ( 3.359 -1.424 2.915) 4.670 4.435 ( 1.807 2.908 -1.313) 3.667 4.474 ( 1.663 -0.810 -4.463) 4.831 4.549 ( -1.570 0.681 -0.247) 1.729 4.692 ( 9.374 2.505 2.587) 10.042 4.772 ( 3.516 -1.928 6.515) 7.650 4.818 ( 5.656 0.568 -1.630) 5.914 4.852 ( -6.782 -4.793 5.658) 10.049 4.906 ( -9.150 2.963 0.909) 9.661 4.985 ( 3.276 -1.531 1.421) 3.885 5.003 ( -1.520 -2.537 -0.189) 2.964 5.051 ( -5.392 -0.744 4.049) 6.784 5.213 ( -2.843 0.417 1.451) 3.219 5.302 ( 1.394 -3.292 -0.009) 3.575 5.417 ( -1.645 -0.779 -4.095) 4.481 5.432 ( -3.272 0.235 -1.147) 3.476 5.505 ( 7.427 0.609 0.313) 7.459 5.582 ( -3.833 -1.083 -0.291) 3.993 5.632 ( -4.279 -1.031 -3.631) 5.706 5.785 ( 0.217 0.666 -1.670) 1.810 5.792 ( -2.153 -2.077 -2.317) 3.784 5.864 ( -3.817 0.854 -0.416) 3.933 5.913 ( 3.237 -2.477 1.111) 4.224 5.969 ( -3.255 -1.433 3.503) 4.992 6.124 ( -4.590 -0.276 6.571) 8.021 6.214 ( 0.011 1.444 -3.904) 4.162 6.292 ( -4.529 -3.812 1.507) 6.108 6.367 ( -3.139 -1.849 -4.229) 5.582 6.560 ( 2.339 -0.198 1.882) 3.009 6.633 ( 2.277 -0.048 0.892) 2.446 6.646 ( -0.461 -2.048 0.161) 2.105 6.684 ( 0.138 -0.627 -0.967) 1.160 6.849 ( 1.665 1.869 0.499) 2.552 6.924 ( -3.195 1.553 -1.718) 3.946 6.963 ( -2.807 1.127 1.713) 3.476 7.009 ( -0.692 2.096 -3.510) 4.147 7.276 ( 2.862 2.084 7.106) 7.939 7.321 ( -0.080 2.662 4.484) 5.215 7.459 ( -0.812 1.314 -2.603) 3.027 7.571 ( -3.450 0.036 -3.716) 5.071 7.805 ( 0.062 -2.156 7.033) 7.356 7.861 ( 2.867 0.178 1.407) 3.198 7.900 ( 2.307 0.636 0.172) 2.399 7.985 ( 2.353 -2.309 -4.197) 5.337 8.092 ( -1.297 2.308 2.629) 3.730 8.157 ( 2.249 2.776 -3.007) 4.670 8.235 ( 2.345 0.147 -1.616) 2.852 8.262 ( 1.065 0.314 -0.526) 1.229 8.644 ( 0.663 -0.433 4.663) 4.729 8.718 ( -2.058 0.319 2.615) 3.343 8.849 ( -1.742 4.437 3.525) 5.928 8.903 ( -0.321 2.168 -1.244) 2.520 8.952 ( 1.532 2.716 -0.124) 3.121 9.003 ( 2.563 0.854 -0.663) 2.782 9.098 ( 2.523 -1.778 0.112) 3.088 9.153 ( -1.009 -0.074 -0.915) 1.364 9.176 ( 2.440 1.458 2.896) 4.058 9.247 ( 1.246 -1.489 -0.303) 1.965 9.371 ( -1.282 -0.910 -7.491) 7.654 9.435 ( -1.010 -2.740 -8.659) 9.138 9.597 ( -0.652 0.647 4.697) 4.786 9.643 ( -2.286 3.264 2.187) 4.546 9.758 ( -1.909 -0.102 1.321) 2.324 9.801 ( 0.392 -1.655 1.539) 2.294 9.861 ( 0.952 -2.139 -1.227) 2.644 9.934 ( -1.951 -1.438 2.466) 3.457 9.980 ( 2.693 -1.283 5.602) 6.346 10.050 ( -0.332 -0.470 1.072) 1.217 10.100 ( 2.315 5.342 -3.594) 6.842 10.214 ( 2.141 -1.215 -3.532) 4.305 10.251 ( 1.357 -0.422 -1.466) 2.042 10.320 ( -1.083 -0.303 1.978) 2.275 10.355 ( -1.901 -1.110 -1.959) 2.946 10.408 ( 0.405 1.266 -2.846) 3.141 10.520 ( 2.549 -4.808 4.173) 6.857 10.596 ( 2.685 -3.776 2.344) 5.193 10.665 ( -0.310 -0.953 0.500) 1.120 10.731 ( -1.142 -3.169 -0.906) 3.488 10.858 ( 0.827 1.260 -1.087) 1.858 10.925 ( -2.668 1.468 0.242) 3.054 10.985 ( 1.598 0.099 0.213) 1.615 11.039 ( -1.910 -0.855 -0.379) 2.126 11.133 ( -3.980 2.027 2.652) 5.195 11.203 ( 2.331 3.259 -7.730) 8.707 11.464 ( 0.554 0.468 3.102) 3.185 11.537 ( -0.910 -0.535 -0.806) 1.328 11.640 ( -2.150 3.585 4.179) 5.911 11.718 ( 0.628 -0.244 -1.852) 1.971 11.817 ( -0.913 5.304 3.795) 6.585 11.917 ( 2.238 0.296 -5.488) 5.935 12.227 ( -3.906 -5.749 8.258) 10.794 12.323 ( 6.059 -4.026 -4.315) 8.458 12.448 ( 1.941 1.505 2.405) 3.437 12.683 ( -1.487 4.040 -8.472) 9.503 13.290 ( 0.958 -11.326 4.037) 12.062 13.435 ( 0.349 -11.669 -5.413) 12.868 13.686 ( 5.280 -1.674 -1.566) 5.756 13.824 ( -5.733 -5.599 -1.756) 8.204 14.032 ( 3.217 3.788 3.771) 6.239 14.146 ( -2.712 -0.192 2.961) 4.020 14.231 ( -1.699 4.984 -0.627) 5.303 14.315 ( -0.155 0.554 -5.288) 5.319 14.775 ( -0.294 1.686 2.011) 2.641 14.794 ( -1.672 1.944 2.530) 3.603 14.886 ( -0.187 1.790 1.256) 2.194 14.918 ( 0.890 1.442 -2.028) 2.643 15.232 ( -0.487 0.549 3.776) 3.847 15.310 ( 0.945 -0.459 -3.191) 3.360 17.072 ( 0.342 9.952 4.202) 10.808 17.169 ( -0.448 9.226 -2.358) 9.533 17.462 ( 1.048 1.859 1.531) 2.627 17.491 ( 2.016 3.689 -1.725) 4.544 18.107 ( 12.795 -1.623 0.682) 12.915 18.154 ( 5.425 -3.958 2.959) 7.338 18.353 ( -5.433 -9.772 0.125) 11.181 18.447 ( -8.940 -8.215 -0.309) 12.145 18.832 ( 1.857 1.707 3.432) 4.259 18.890 ( 6.187 0.120 -3.484) 7.101 19.137 ( 1.743 -2.059 0.831) 2.823 19.228 ( 1.797 -3.669 0.408) 4.106 19.263 ( -0.512 1.277 -0.355) 1.421 19.404 ( 0.492 -0.530 -5.555) 5.601 19.638 ( 1.139 0.144 0.773) 1.384 19.718 ( 0.304 1.880 -1.566) 2.465 20.007 ( -6.183 2.862 0.864) 6.868 20.123 ( -3.721 2.333 -7.891) 9.031 20.499 ( -2.393 0.674 3.960) 4.675 20.568 ( -1.597 0.859 -1.822) 2.571 20.755 ( -0.466 1.186 2.979) 3.240 20.842 ( -2.190 -0.462 0.759) 2.363 20.863 ( -6.900 -0.771 5.913) 9.119 20.995 ( -1.918 -2.189 -6.862) 7.454 22.401 ( 1.895 0.012 0.801) 2.057 22.431 ( 0.364 -0.843 0.552) 1.071 22.452 ( 0.206 0.159 -0.386) 0.466 22.463 ( 0.870 -0.195 -0.725) 1.149 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.257 -1.657 2.909) 4.671 1.455 ( -2.112 -2.170 -2.226) 3.758 1.655 ( -16.096 3.269 -1.078) 16.460 1.819 ( -15.758 3.992 5.753) 17.244 1.856 ( -13.805 3.181 5.839) 15.323 1.954 ( 12.696 0.369 -3.555) 13.190 2.189 ( 4.257 -0.307 -6.427) 7.715 2.205 ( 13.496 -0.870 -3.293) 13.919 2.318 ( -0.986 -3.273 0.833) 3.518 2.368 ( 7.406 -2.432 0.209) 7.798 2.389 ( -6.238 0.562 -2.085) 6.601 2.468 ( -2.325 0.547 -1.208) 2.676 2.492 ( -2.386 -0.638 -4.356) 5.007 2.569 ( 5.853 -1.512 2.170) 6.422 2.606 ( 4.967 -1.100 2.458) 5.650 2.631 ( -3.739 -1.812 0.543) 4.191 2.724 ( -0.797 -0.845 -0.626) 1.320 2.783 ( -7.020 -2.151 -3.145) 7.987 2.815 ( 2.579 0.171 -0.027) 2.585 2.870 ( 3.468 -0.595 -0.755) 3.599 2.989 ( -0.784 2.313 4.378) 5.013 3.023 ( 0.362 -0.076 -3.246) 3.267 3.087 ( -1.910 -0.897 2.505) 3.275 3.162 ( 1.065 -0.495 -1.520) 1.921 3.209 ( -2.869 1.765 5.264) 6.250 3.286 ( -0.317 5.029 -0.639) 5.079 3.347 ( -4.856 1.159 2.065) 5.402 3.393 ( -13.620 2.004 4.452) 14.469 3.409 ( 2.307 7.481 0.597) 7.852 3.497 ( -3.087 -0.184 0.849) 3.207 3.547 ( -5.444 3.264 0.074) 6.348 3.572 ( -4.799 5.555 -0.838) 7.388 3.618 ( 2.837 -2.623 3.849) 5.454 3.634 ( -7.089 0.452 2.748) 7.617 3.699 ( -0.371 1.114 2.796) 3.032 3.790 ( -1.059 3.605 -5.492) 6.655 3.838 ( 2.079 1.968 -4.095) 4.996 3.900 ( 4.838 -0.882 4.128) 6.421 3.947 ( 0.141 4.602 1.716) 4.914 3.976 ( -1.585 -1.752 -1.496) 2.796 4.059 ( 3.515 0.045 -3.841) 5.207 4.172 ( 5.966 -2.092 -3.657) 7.304 4.221 ( -4.258 -1.522 -3.570) 5.761 4.270 ( 3.914 -1.356 -5.393) 6.800 4.379 ( -3.163 1.577 -0.601) 3.585 4.438 ( -4.446 2.993 -1.292) 5.513 4.446 ( -4.100 2.016 0.276) 4.577 4.483 ( 1.424 2.387 3.073) 4.143 4.680 ( -4.870 2.562 -0.787) 5.559 4.783 ( 1.237 -0.994 -0.112) 1.591 4.865 ( -3.540 -1.093 2.096) 4.256 4.900 ( 1.292 1.634 -0.060) 2.083 4.945 ( 1.955 -2.651 0.702) 3.368 4.976 ( 3.939 -4.075 -0.729) 5.714 5.023 ( 6.984 1.518 -1.331) 7.270 5.125 ( 11.914 4.648 -0.077) 12.788 5.216 ( -3.157 -3.034 3.011) 5.314 5.300 ( -0.961 -2.184 -1.474) 2.805 5.380 ( -0.861 -1.564 -3.802) 4.201 5.387 ( 1.779 -0.169 2.352) 2.954 5.506 ( -0.153 1.364 3.629) 3.880 5.569 ( 0.581 -1.854 0.385) 1.981 5.665 ( -0.408 -1.307 -3.734) 3.977 5.708 ( 4.862 -1.528 -1.003) 5.194 5.785 ( -3.557 0.708 0.920) 3.742 5.844 ( 1.027 0.195 0.829) 1.334 5.919 ( -1.252 0.076 0.360) 1.305 6.026 ( 4.329 -2.912 -1.367) 5.393 6.114 ( 1.480 1.576 5.434) 5.848 6.218 ( 2.542 -0.500 -2.258) 3.437 6.293 ( 3.298 -4.647 3.241) 6.556 6.334 ( 2.323 -3.581 -3.040) 5.240 6.588 ( -2.492 -0.433 -0.175) 2.536 6.641 ( 2.007 -0.047 0.345) 2.037 6.659 ( -0.392 0.542 -0.532) 0.855 6.675 ( 0.508 1.211 -1.782) 2.214 6.865 ( -1.509 -0.322 0.073) 1.544 6.887 ( -0.247 1.553 0.771) 1.751 6.937 ( 0.155 1.621 3.257) 3.641 7.004 ( 2.388 0.169 -2.418) 3.403 7.333 ( -2.643 2.343 2.336) 4.234 7.358 ( 2.337 3.346 5.224) 6.629 7.454 ( -5.424 0.270 -5.950) 8.056 7.484 ( 2.721 1.373 4.170) 5.165 7.823 ( -2.630 -1.252 5.152) 5.918 7.880 ( -2.119 -0.248 0.199) 2.143 7.924 ( -0.198 -0.762 -0.983) 1.259 7.972 ( -0.315 -0.253 -4.173) 4.192 8.076 ( -2.485 2.227 3.833) 5.082 8.166 ( 2.400 -0.413 -3.348) 4.140 8.241 ( -1.793 0.441 -2.434) 3.055 8.275 ( 1.612 1.038 -2.117) 2.856 8.695 ( -0.911 1.038 1.687) 2.180 8.710 ( 2.422 -0.216 2.362) 3.390 8.846 ( -0.075 5.509 3.743) 6.661 8.888 ( 0.367 2.053 -1.317) 2.466 8.956 ( -3.046 1.428 1.635) 3.740 9.007 ( -0.467 2.778 -2.725) 3.919 9.109 ( -2.911 -2.474 -0.232) 3.827 9.138 ( 0.929 -1.123 0.555) 1.559 9.214 ( -0.760 -0.192 2.994) 3.095 9.270 ( -1.526 -1.796 -6.037) 6.480 9.297 ( -0.898 -1.663 3.133) 3.659 9.369 ( 0.934 -2.442 -5.890) 6.444 9.610 ( 0.048 1.517 3.747) 4.043 9.670 ( 3.046 3.700 -0.357) 4.806 9.762 ( 0.590 -0.264 3.084) 3.151 9.785 ( -0.892 -0.282 -2.225) 2.413 9.882 ( 0.566 -2.191 -0.381) 2.295 9.923 ( 2.007 -1.550 -1.397) 2.895 10.021 ( -1.782 -2.585 1.416) 3.445 10.074 ( 0.626 -2.853 5.275) 6.030 10.104 ( -1.292 4.947 0.813) 5.177 10.188 ( -2.828 -0.014 -4.546) 5.354 10.257 ( -2.840 1.442 -2.971) 4.356 10.289 ( 2.918 1.292 1.318) 3.453 10.364 ( 2.782 -0.582 0.076) 2.843 10.394 ( 0.329 -0.148 -3.356) 3.375 10.565 ( -2.140 -6.035 1.881) 6.674 10.605 ( 0.249 -4.768 -1.493) 5.002 10.682 ( -0.658 -2.173 0.735) 2.387 10.722 ( 2.112 -0.895 0.372) 2.324 10.833 ( -3.372 1.561 1.039) 3.859 10.938 ( 5.433 1.634 -0.176) 5.676 10.956 ( -4.362 -0.667 0.694) 4.467 11.079 ( 4.929 -1.434 -2.358) 5.649 11.107 ( -1.703 4.157 3.353) 5.606 11.186 ( 1.191 3.231 -5.664) 6.629 11.492 ( -0.181 -0.370 2.753) 2.783 11.521 ( 0.391 -0.288 -1.446) 1.525 11.646 ( -0.361 1.926 4.499) 4.907 11.723 ( 2.100 1.610 -3.508) 4.394 11.811 ( -2.200 6.203 4.333) 7.880 11.923 ( 2.124 -0.710 -5.940) 6.348 12.178 ( -6.523 -6.251 8.055) 12.104 12.399 ( 5.799 -6.427 -9.347) 12.740 12.536 ( 3.962 4.351 6.984) 9.133 12.601 ( -0.074 4.539 -10.746) 11.665 13.332 ( -0.665 -11.616 4.973) 12.653 13.384 ( -0.682 -13.420 -5.962) 14.701 13.686 ( -6.898 -1.720 -1.279) 7.223 13.780 ( 3.333 -3.330 2.615) 5.388 14.088 ( -2.529 3.868 -0.691) 4.672 14.128 ( 3.105 4.792 2.297) 6.155 14.221 ( -0.289 0.647 2.608) 2.703 14.301 ( 2.242 -1.990 -4.825) 5.681 14.770 ( -1.942 1.895 3.491) 4.421 14.798 ( 0.594 2.139 1.329) 2.587 14.878 ( -1.282 2.127 1.190) 2.754 14.921 ( 0.544 0.791 -1.518) 1.796 15.235 ( -1.923 0.598 4.326) 4.771 15.301 ( 0.288 -0.517 -3.216) 3.270 17.090 ( -1.280 8.963 3.006) 9.540 17.176 ( 3.266 9.152 -3.380) 10.288 17.462 ( -1.799 2.795 1.272) 3.559 17.498 ( 0.007 2.880 -2.274) 3.670 18.109 ( -10.148 -0.594 0.931) 10.208 18.191 ( -7.372 -4.523 -0.788) 8.685 18.355 ( 4.341 -10.776 0.021) 11.617 18.421 ( 9.400 -7.901 1.823) 12.414 18.830 ( -4.202 2.096 2.335) 5.245 18.923 ( -0.156 -0.315 -5.279) 5.291 19.169 ( 0.009 -0.674 -0.080) 0.679 19.206 ( 0.898 2.799 -3.761) 4.773 19.283 ( -1.416 -2.309 2.947) 4.003 19.402 ( 4.309 -5.441 -7.819) 10.455 19.667 ( -3.096 1.036 -2.008) 3.833 19.680 ( 0.966 0.290 2.618) 2.805 19.947 ( -3.186 6.056 7.916) 10.463 20.069 ( 2.328 1.535 -3.094) 4.165 20.496 ( -0.112 1.965 4.628) 5.029 20.561 ( 1.777 0.045 -1.516) 2.336 20.774 ( 0.778 1.167 5.582) 5.756 20.813 ( 0.112 1.566 -3.018) 3.402 20.874 ( 2.513 -1.700 5.457) 6.244 21.007 ( 7.532 -2.741 -6.766) 10.489 22.415 ( -1.895 -0.246 -0.463) 1.966 22.428 ( 0.106 -0.208 0.770) 0.804 22.447 ( -1.007 -0.206 0.385) 1.098 22.459 ( -0.522 -0.251 -0.564) 0.809 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -21.788 9.749 1.933) 23.948 1.323 ( -12.633 5.598 11.812) 18.178 1.419 ( -3.510 -0.275 -12.931) 13.402 1.658 ( -3.067 0.720 1.427) 3.458 1.757 ( -1.423 0.988 2.614) 3.136 2.076 ( -7.045 0.319 -2.042) 7.342 2.080 ( -7.864 -3.689 -5.137) 10.091 2.138 ( -4.924 -1.849 -0.218) 5.264 2.216 ( -3.669 1.702 -11.596) 12.281 2.268 ( -19.954 5.171 -0.018) 20.613 2.368 ( -6.476 -1.346 -0.341) 6.623 2.416 ( -1.022 0.527 -2.590) 2.834 2.503 ( 6.841 0.360 -3.548) 7.715 2.564 ( -6.451 2.074 0.389) 6.788 2.572 ( -2.656 -2.779 3.019) 4.888 2.676 ( 2.323 -0.833 -4.350) 5.001 2.756 ( 8.868 -3.029 -0.296) 9.375 2.800 ( 5.946 0.176 0.092) 5.949 2.815 ( -2.707 -0.246 1.073) 2.922 2.861 ( -3.013 -0.501 -0.100) 3.056 2.945 ( -3.771 4.516 8.723) 10.522 3.055 ( 1.360 -3.360 -1.892) 4.089 3.085 ( 2.156 0.359 -0.520) 2.247 3.114 ( -1.591 0.189 -0.016) 1.602 3.237 ( -3.113 -0.977 6.080) 6.900 3.280 ( 0.895 5.448 -0.756) 5.572 3.322 ( 1.225 0.369 2.759) 3.041 3.339 ( -0.435 -5.557 2.605) 6.153 3.354 ( -7.850 8.208 0.336) 11.363 3.438 ( -5.439 1.705 0.300) 5.708 3.474 ( -0.165 0.239 1.112) 1.150 3.488 ( -1.446 7.542 1.684) 7.862 3.549 ( -1.499 2.162 2.331) 3.515 3.672 ( -1.040 1.234 -3.856) 4.180 3.724 ( -4.198 -0.121 4.608) 6.234 3.749 ( -1.725 -1.660 2.557) 3.503 3.810 ( -2.802 2.842 -0.824) 4.076 3.899 ( -3.993 2.712 -0.642) 4.869 3.942 ( -2.616 0.076 -3.779) 4.596 3.996 ( 0.136 2.310 -1.444) 2.727 4.080 ( 2.731 2.117 -1.917) 3.951 4.106 ( 1.687 1.616 -0.332) 2.359 4.197 ( -3.193 0.765 -5.092) 6.059 4.214 ( -0.491 -3.470 1.328) 3.748 4.322 ( 0.976 0.637 -4.634) 4.778 4.399 ( -1.433 0.201 0.842) 1.674 4.467 ( 1.464 -0.742 0.878) 1.861 4.497 ( -3.043 -6.083 5.457) 8.720 4.605 ( -1.789 -7.117 1.870) 7.573 4.778 ( -2.347 -3.571 -2.993) 5.218 4.806 ( -1.213 -2.683 -4.666) 5.518 4.871 ( -1.635 4.120 0.369) 4.448 4.969 ( 3.205 -1.829 -1.176) 3.873 5.062 ( 4.378 -6.612 -3.175) 8.542 5.126 ( -3.673 4.190 7.856) 9.632 5.211 ( 8.097 -1.084 -5.378) 9.781 5.260 ( 1.582 -1.295 -6.087) 6.422 5.283 ( -1.706 -0.450 -2.252) 2.861 5.374 ( 5.783 -2.056 1.544) 6.329 5.467 ( 4.780 2.803 -0.834) 5.603 5.538 ( 0.397 -2.538 -4.190) 4.915 5.618 ( 2.503 -0.827 1.189) 2.892 5.646 ( 1.585 -3.603 4.640) 6.084 5.792 ( 2.721 7.799 -0.778) 8.297 5.853 ( 6.635 -3.930 3.320) 8.396 5.860 ( 4.868 4.484 4.995) 8.292 5.949 ( 2.965 2.193 0.497) 3.721 6.052 ( 0.821 -0.840 -1.249) 1.715 6.188 ( 1.920 2.451 1.315) 3.380 6.280 ( 4.219 2.248 -3.011) 5.650 6.397 ( 5.933 -0.859 1.177) 6.110 6.418 ( 6.091 -5.397 1.574) 8.289 6.541 ( -1.802 -2.199 -1.859) 3.397 6.609 ( -1.201 -0.329 -1.283) 1.788 6.641 ( -0.395 -1.163 -1.933) 2.291 6.720 ( 2.382 2.013 1.365) 3.404 6.814 ( -3.691 0.617 -2.152) 4.316 6.911 ( 2.093 -1.160 4.133) 4.776 7.025 ( 5.146 5.758 4.931) 9.162 7.051 ( 3.769 3.409 -0.284) 5.090 7.269 ( -5.708 0.728 -3.962) 6.986 7.313 ( -4.804 0.837 0.101) 4.877 7.432 ( 2.092 2.007 4.669) 5.496 7.554 ( -0.227 1.240 6.552) 6.672 7.768 ( -6.101 -3.590 0.999) 7.149 7.813 ( -3.073 0.416 -2.404) 3.924 7.883 ( -1.163 -1.448 -2.090) 2.797 7.942 ( -1.024 1.822 -1.047) 2.337 8.031 ( -5.416 3.597 2.273) 6.887 8.165 ( -2.359 -0.111 -4.173) 4.795 8.213 ( 2.665 0.069 -1.555) 3.086 8.294 ( 2.923 1.364 -2.617) 4.154 8.674 ( -0.845 -1.221 -1.628) 2.203 8.738 ( -1.474 -1.260 -0.867) 2.124 8.830 ( -6.678 0.398 1.045) 6.771 8.869 ( -2.392 2.041 2.200) 3.837 8.932 ( 0.648 3.459 2.600) 4.376 8.968 ( -1.498 2.148 -2.219) 3.433 9.037 ( -4.875 -3.208 -0.923) 5.909 9.161 ( 0.687 5.651 -1.292) 5.838 9.209 ( 1.473 1.282 -4.764) 5.148 9.238 ( 4.294 -1.098 3.111) 5.415 9.303 ( -1.596 -1.185 4.320) 4.755 9.394 ( 2.074 0.117 1.381) 2.494 9.656 ( 0.152 2.024 4.313) 4.767 9.669 ( -0.110 2.741 -5.680) 6.308 9.768 ( -0.870 -1.662 1.948) 2.705 9.813 ( 2.307 -2.793 3.018) 4.715 9.883 ( -0.012 0.216 -2.137) 2.148 9.956 ( 1.840 -0.824 -1.138) 2.316 9.988 ( -2.594 -2.189 1.628) 3.765 10.029 ( -6.061 1.129 -3.256) 6.972 10.096 ( -0.113 -0.107 0.156) 0.220 10.120 ( 0.803 1.739 -3.409) 3.910 10.237 ( -2.340 -3.746 0.649) 4.465 10.297 ( -3.752 -3.414 1.433) 5.271 10.352 ( 0.170 -2.107 -2.327) 3.143 10.419 ( 3.951 2.264 -1.800) 4.897 10.551 ( -1.644 -5.966 -0.101) 6.189 10.607 ( 3.128 -3.498 -4.637) 6.597 10.684 ( 0.169 -0.955 0.681) 1.185 10.725 ( -1.541 -2.667 -0.800) 3.183 10.812 ( -0.990 1.206 3.684) 4.001 10.901 ( -2.128 -0.204 2.333) 3.164 11.047 ( 4.569 -0.248 0.195) 4.580 11.069 ( -1.723 4.315 -4.103) 6.199 11.105 ( -0.002 3.071 0.616) 3.132 11.239 ( 5.659 0.673 -0.146) 5.701 11.479 ( -1.085 -0.061 -1.368) 1.748 11.542 ( 1.027 -1.331 1.879) 2.521 11.669 ( -0.460 -1.062 3.650) 3.829 11.746 ( 2.735 5.505 -4.795) 7.796 11.805 ( -0.719 2.419 3.832) 4.588 11.916 ( 1.465 -0.604 -5.794) 6.007 12.108 ( -6.716 -6.783 8.407) 12.720 12.392 ( 0.708 -6.986 -11.787) 13.720 12.565 ( 3.491 4.111 -9.959) 11.325 12.647 ( 2.851 3.856 5.034) 6.953 13.278 ( -6.506 -7.274 3.263) 10.290 13.354 ( -1.838 -6.843 -2.367) 7.470 13.612 ( 0.619 -2.213 -0.088) 2.299 13.841 ( 0.700 -6.557 5.625) 8.667 14.006 ( -3.993 3.805 -2.737) 6.157 14.211 ( 1.865 6.628 4.101) 8.014 14.237 ( 2.369 -2.897 -2.723) 4.628 14.339 ( 3.472 -0.527 -0.242) 3.520 14.766 ( -1.066 0.182 3.976) 4.120 14.803 ( -1.211 0.587 0.960) 1.653 14.872 ( 0.002 2.483 0.977) 2.668 14.921 ( 0.753 1.752 -1.337) 2.329 15.225 ( -2.314 -0.383 5.349) 5.841 15.284 ( 0.148 -0.713 -2.932) 3.022 17.076 ( -0.715 6.230 -0.586) 6.298 17.219 ( 2.582 7.816 -1.989) 8.468 17.417 ( -3.748 3.907 0.680) 5.456 17.457 ( -2.315 2.928 -3.150) 4.884 17.896 ( -11.382 2.621 -1.514) 11.778 18.040 ( -7.076 1.101 -2.241) 7.503 18.442 ( 4.253 -10.452 1.237) 11.351 18.583 ( 4.926 -6.902 0.704) 8.509 18.729 ( -6.452 1.742 0.030) 6.683 18.836 ( -4.055 0.737 -4.778) 6.310 19.097 ( -4.781 -4.011 -4.423) 7.650 19.227 ( 0.028 0.513 -0.670) 0.844 19.274 ( 1.360 1.384 0.316) 1.966 19.445 ( 3.653 -4.205 -3.885) 6.791 19.617 ( -1.708 0.252 -0.201) 1.739 19.677 ( -1.607 1.295 0.597) 2.148 20.029 ( 5.455 3.042 12.763) 14.210 20.156 ( 6.351 -0.332 3.185) 7.113 20.539 ( 1.797 -0.639 0.624) 2.007 20.615 ( 3.827 -0.673 1.509) 4.169 20.812 ( 2.042 4.437 -3.458) 5.984 20.864 ( 4.579 2.009 3.754) 6.253 20.991 ( 5.910 -1.027 7.573) 9.661 21.147 ( 11.391 -2.742 -6.283) 13.295 22.362 ( -3.083 0.329 -0.593) 3.157 22.418 ( -2.095 -0.196 0.592) 2.186 22.423 ( -1.187 -1.082 0.026) 1.606 22.437 ( -1.687 -0.316 -0.180) 1.725 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -11.635 9.593 12.993) 19.905 1.169 ( -15.401 10.441 19.041) 26.622 1.322 ( 3.823 -2.665 -17.068) 17.693 1.612 ( -10.061 0.030 -12.019) 15.674 1.697 ( -0.407 -3.410 2.507) 4.252 1.829 ( -15.456 15.548 -3.216) 22.158 1.887 ( -10.050 10.910 0.437) 14.840 1.971 ( -0.202 -7.061 1.885) 7.311 2.060 ( -6.667 0.354 -2.085) 6.995 2.136 ( -0.997 -4.799 0.699) 4.951 2.290 ( -2.729 3.470 -1.586) 4.691 2.368 ( -2.112 1.158 -0.500) 2.460 2.441 ( -2.000 2.441 2.481) 4.015 2.579 ( 4.082 -1.068 -1.727) 4.559 2.603 ( 1.166 -2.646 2.031) 3.533 2.675 ( -5.705 0.528 1.998) 6.068 2.733 ( -2.801 0.081 -0.280) 2.816 2.775 ( 1.152 -0.032 -2.232) 2.512 2.831 ( -1.717 1.849 3.225) 4.095 2.897 ( -0.796 3.392 -1.726) 3.888 2.994 ( -0.218 1.612 2.851) 3.282 3.021 ( -0.589 -1.582 -0.870) 1.899 3.124 ( -1.564 0.243 -1.847) 2.433 3.138 ( 1.041 -0.261 -2.982) 3.170 3.195 ( -2.636 2.282 0.961) 3.616 3.217 ( 0.226 2.000 0.131) 2.017 3.258 ( -0.633 -0.394 -1.451) 1.631 3.326 ( -2.965 -5.547 1.273) 6.417 3.344 ( -1.567 2.155 -0.162) 2.669 3.369 ( -0.705 2.783 -2.100) 3.558 3.423 ( -2.611 4.569 3.516) 6.329 3.560 ( 4.722 1.827 2.806) 5.789 3.583 ( 2.234 4.227 0.797) 4.847 3.629 ( -3.718 -0.348 -3.324) 4.999 3.660 ( -3.464 0.471 0.298) 3.508 3.720 ( -3.575 2.798 -3.045) 5.466 3.762 ( 0.846 -1.729 -4.462) 4.859 3.798 ( 2.000 5.956 -0.022) 6.283 3.876 ( -3.845 -2.989 -1.953) 5.247 4.002 ( -2.304 4.641 3.599) 6.309 4.026 ( -5.054 2.580 -3.523) 6.679 4.124 ( 1.007 0.284 -0.455) 1.141 4.163 ( -1.288 -6.543 2.266) 7.043 4.254 ( 3.074 -2.055 0.036) 3.698 4.381 ( 2.521 -3.439 0.562) 4.300 4.392 ( 1.975 -2.175 0.829) 3.053 4.475 ( 0.175 -7.501 8.879) 11.625 4.534 ( 1.856 -2.230 5.243) 5.992 4.581 ( -1.668 -0.399 -3.987) 4.340 4.716 ( -2.480 -9.332 0.300) 9.660 4.761 ( 0.430 -9.811 -6.295) 11.665 4.813 ( -3.622 3.183 0.262) 4.829 5.026 ( 0.628 2.522 3.539) 4.391 5.074 ( -1.204 -2.733 -7.665) 8.226 5.149 ( 3.272 -11.933 -0.158) 12.374 5.189 ( -2.148 -0.903 -4.897) 5.423 5.268 ( 5.435 2.181 2.249) 6.274 5.330 ( 2.163 -0.771 -1.750) 2.887 5.450 ( 0.141 -3.193 1.545) 3.550 5.503 ( 0.489 -6.028 -5.396) 8.105 5.546 ( 4.791 -0.434 -2.173) 5.279 5.706 ( 2.486 -1.038 4.118) 4.921 5.709 ( 4.772 3.041 2.474) 6.176 5.861 ( 5.262 8.674 1.758) 10.296 5.970 ( 3.748 -1.453 2.717) 4.852 5.991 ( 0.547 1.251 -1.660) 2.149 6.028 ( 4.986 3.439 3.064) 6.788 6.063 ( 3.146 3.640 -2.864) 5.599 6.208 ( 0.095 4.798 1.223) 4.953 6.285 ( -1.118 5.859 -4.001) 7.182 6.462 ( 0.106 -1.225 -3.413) 3.628 6.475 ( -0.340 0.265 -1.109) 1.189 6.543 ( 3.559 -4.274 0.496) 5.584 6.602 ( 0.684 -4.063 -1.512) 4.388 6.673 ( 1.518 -1.086 -0.538) 1.942 6.734 ( -2.156 0.084 0.950) 2.357 6.792 ( 5.568 3.786 2.508) 7.185 6.990 ( 4.622 -0.731 1.491) 4.912 7.092 ( -5.267 3.692 -2.143) 6.780 7.154 ( 5.705 7.339 1.493) 9.415 7.165 ( 3.437 5.149 4.926) 7.912 7.276 ( -3.689 -0.475 6.719) 7.680 7.468 ( -1.856 -0.401 4.127) 4.543 7.541 ( -4.141 2.039 3.173) 5.601 7.669 ( -3.831 -3.525 -0.274) 5.214 7.740 ( -1.050 -2.391 -6.557) 7.058 7.859 ( -2.769 0.317 0.252) 2.799 7.901 ( -6.153 1.692 2.368) 6.807 7.959 ( 1.196 2.860 -0.052) 3.100 8.102 ( -2.055 3.640 -1.575) 4.467 8.253 ( 4.799 0.267 -5.724) 7.474 8.352 ( 5.051 2.636 -2.998) 6.438 8.600 ( -5.817 -3.058 -4.522) 7.977 8.658 ( -8.185 -0.329 -0.152) 8.193 8.719 ( -4.134 -0.796 3.354) 5.383 8.817 ( -5.266 -3.069 1.729) 6.335 8.886 ( -5.533 2.675 0.174) 6.149 8.956 ( 1.047 -0.751 -1.593) 2.049 8.999 ( 3.750 -0.251 1.746) 4.144 9.154 ( 0.185 2.689 -2.247) 3.510 9.276 ( 7.552 3.476 -1.175) 8.396 9.322 ( 2.001 0.620 2.641) 3.370 9.382 ( 7.722 3.940 -2.687) 9.076 9.446 ( 0.359 2.465 5.911) 6.415 9.563 ( -4.860 1.556 -3.107) 5.974 9.713 ( 0.628 2.493 -0.673) 2.657 9.751 ( -3.050 -0.416 2.610) 4.036 9.821 ( -5.607 2.635 -1.062) 6.286 9.841 ( -0.899 -4.368 -2.585) 5.154 9.916 ( -2.043 -0.693 -1.856) 2.846 9.952 ( -2.781 -1.325 0.960) 3.226 9.973 ( -0.637 -1.507 3.781) 4.120 10.039 ( -3.121 -3.118 -1.848) 4.783 10.142 ( 0.748 -1.988 1.583) 2.649 10.193 ( 1.823 -1.832 -0.677) 2.671 10.302 ( 0.155 -4.009 -0.378) 4.030 10.337 ( -0.644 -2.471 -0.904) 2.709 10.425 ( -5.711 -1.365 -3.524) 6.849 10.491 ( 2.671 -0.140 -4.619) 5.337 10.624 ( 0.416 -3.601 -0.963) 3.751 10.658 ( 1.328 -1.257 -2.060) 2.755 10.761 ( -0.629 3.588 1.705) 4.022 10.822 ( 0.133 -1.141 5.323) 5.446 10.883 ( -1.584 -0.788 3.628) 4.036 11.026 ( -0.921 -0.498 -1.831) 2.109 11.044 ( -1.368 -1.334 -1.441) 2.393 11.172 ( 4.222 5.380 1.251) 6.953 11.321 ( 2.208 3.557 -2.168) 4.715 11.465 ( 0.887 -2.008 1.436) 2.623 11.577 ( 1.385 -0.584 2.771) 3.152 11.664 ( -1.759 -3.575 1.007) 4.109 11.738 ( -0.244 7.696 -4.423) 8.880 11.853 ( 3.813 -2.678 0.739) 4.718 11.916 ( 1.738 0.466 -2.916) 3.426 12.038 ( -6.912 -7.358 8.467) 13.176 12.295 ( -2.091 -7.699 -12.205) 14.581 12.583 ( 4.029 3.014 -6.841) 8.493 12.679 ( -1.760 2.298 1.036) 3.075 13.188 ( -5.668 1.325 6.302) 8.579 13.290 ( -1.652 2.115 -4.515) 5.253 13.679 ( 4.709 -3.430 1.969) 6.149 13.872 ( -1.695 -6.473 3.214) 7.423 13.946 ( -0.989 -0.215 3.030) 3.195 14.199 ( -0.661 -6.176 -5.150) 8.068 14.303 ( 2.236 7.147 3.812) 8.403 14.401 ( 2.881 2.924 -0.252) 4.113 14.775 ( -1.520 -1.051 4.847) 5.188 14.783 ( -0.684 -0.641 0.388) 1.014 14.876 ( -0.066 1.781 0.511) 1.854 14.932 ( 1.384 2.304 -2.641) 3.768 15.222 ( -1.849 -2.674 5.207) 6.139 15.279 ( 1.126 -1.163 -2.150) 2.691 17.073 ( 1.759 5.467 -1.010) 5.831 17.229 ( -0.881 3.865 -0.628) 4.014 17.345 ( -3.327 4.183 -0.502) 5.368 17.391 ( -2.625 5.522 -3.525) 7.058 17.708 ( -7.937 6.476 1.337) 10.330 17.904 ( -4.661 9.371 -7.529) 12.893 18.508 ( 1.376 -6.037 0.895) 6.256 18.565 ( -3.860 -2.300 -1.794) 4.838 18.634 ( -3.270 0.633 0.636) 3.391 18.783 ( -0.836 5.544 -3.736) 6.737 19.009 ( -2.236 -14.784 4.029) 15.486 19.207 ( -0.111 -1.402 -3.454) 3.730 19.319 ( 2.415 2.610 0.884) 3.664 19.453 ( -1.751 -1.812 -1.236) 2.807 19.601 ( 1.154 -0.673 -0.456) 1.411 19.667 ( -0.079 -0.623 -0.484) 0.793 20.270 ( 9.788 -1.070 9.025) 13.357 20.309 ( 8.215 -3.390 3.749) 9.646 20.562 ( 1.122 -1.461 -0.944) 2.070 20.681 ( 1.017 -3.105 2.360) 4.030 20.832 ( 2.898 7.933 -3.935) 9.318 20.932 ( 0.768 1.905 -0.353) 2.084 21.179 ( 6.734 -2.436 10.024) 12.319 21.314 ( 10.026 -2.312 -5.208) 11.532 22.314 ( -1.585 0.633 0.222) 1.721 22.378 ( -2.340 0.238 -0.227) 2.363 22.388 ( -2.137 -1.728 -0.211) 2.756 22.403 ( -1.698 -0.384 -0.191) 1.751 ======================= Grid point 84 (48/54) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.838 8.356 7.033) 10.954 1.187 ( 0.161 -6.918 -7.554) 10.245 1.232 ( -2.359 9.412 7.675) 12.372 1.357 ( -0.355 -3.474 -3.279) 4.790 1.592 ( 0.056 -2.351 -7.018) 7.401 1.633 ( 1.830 -6.556 -9.754) 11.895 1.986 ( -0.335 2.671 2.063) 3.392 2.025 ( 2.332 -0.579 -0.899) 2.566 2.158 ( 3.048 3.840 1.490) 5.124 2.210 ( -3.705 1.821 -3.860) 5.652 2.296 ( 3.803 4.860 -1.971) 6.479 2.303 ( -2.408 0.586 -1.985) 3.175 2.547 ( 0.267 4.031 5.733) 7.014 2.587 ( 0.216 -0.640 1.443) 1.593 2.662 ( -3.304 9.986 7.006) 12.639 2.721 ( 5.236 4.767 0.333) 7.089 2.813 ( 4.255 5.688 2.019) 7.385 2.841 ( -1.197 2.519 -2.448) 3.711 2.908 ( -3.006 3.209 1.283) 4.580 2.913 ( -0.655 -2.289 -0.424) 2.419 2.970 ( -0.638 -0.735 -0.100) 0.978 3.007 ( -3.766 -0.881 -0.158) 3.871 3.066 ( -1.217 2.328 2.846) 3.873 3.107 ( -0.495 -4.178 -1.405) 4.436 3.151 ( -1.779 -1.974 -2.028) 3.343 3.170 ( 2.390 5.074 0.065) 5.609 3.245 ( 2.049 -6.062 2.433) 6.846 3.285 ( -0.217 -5.276 -2.209) 5.724 3.295 ( -1.153 5.479 4.277) 7.046 3.471 ( 0.892 -2.162 0.274) 2.355 3.502 ( 0.393 4.147 4.000) 5.776 3.541 ( 0.223 5.227 0.964) 5.319 3.603 ( -0.327 4.328 -1.790) 4.695 3.616 ( -1.832 1.417 -2.272) 3.245 3.664 ( 1.130 -0.795 3.521) 3.782 3.684 ( -0.686 -2.205 0.962) 2.502 3.777 ( -0.813 -2.936 1.811) 3.544 3.820 ( 6.657 -5.963 0.525) 8.953 3.869 ( -5.244 -1.620 1.469) 5.682 3.926 ( 0.450 -2.590 -1.245) 2.909 4.009 ( -0.752 4.671 0.611) 4.771 4.123 ( 3.971 -1.423 -7.435) 8.549 4.152 ( -3.108 -0.361 0.556) 3.178 4.221 ( -1.402 2.380 -1.573) 3.179 4.275 ( -3.237 -2.631 5.220) 6.682 4.389 ( 2.918 -2.328 -6.596) 7.579 4.438 ( 3.885 -3.192 0.592) 5.063 4.505 ( -0.023 -7.000 4.775) 8.474 4.556 ( -2.844 -1.910 0.113) 3.428 4.580 ( 1.125 -1.729 -1.185) 2.379 4.611 ( 3.845 -3.630 0.698) 5.333 4.689 ( -0.877 -6.224 -5.815) 8.563 5.002 ( -1.052 0.225 -3.912) 4.057 5.049 ( -0.752 -5.046 -7.489) 9.062 5.116 ( 0.910 4.777 1.780) 5.179 5.141 ( 1.425 4.735 0.183) 4.948 5.253 ( -3.386 -1.164 -0.162) 3.584 5.302 ( 1.217 -4.027 -3.963) 5.779 5.358 ( -0.963 -3.009 0.112) 3.161 5.373 ( -1.295 -4.529 0.084) 4.712 5.641 ( 2.608 0.854 2.240) 3.542 5.677 ( -0.398 -2.482 -0.820) 2.644 5.880 ( -1.297 0.662 1.804) 2.318 5.903 ( -0.460 -1.621 -1.164) 2.048 6.059 ( 0.314 4.820 3.255) 5.825 6.089 ( 0.122 3.070 0.208) 3.079 6.115 ( -0.314 1.650 1.597) 2.318 6.130 ( 1.515 1.484 0.756) 2.251 6.356 ( -1.182 5.531 -3.091) 6.446 6.359 ( -0.241 5.267 -1.504) 5.483 6.420 ( -0.869 -1.562 -1.564) 2.375 6.435 ( 0.769 -2.497 -4.233) 4.974 6.570 ( 3.844 2.025 1.578) 4.622 6.603 ( -2.569 0.356 -1.694) 3.098 6.635 ( 5.468 -2.374 2.323) 6.398 6.653 ( -5.285 -3.067 0.694) 6.150 6.928 ( -5.434 2.065 0.980) 5.895 6.957 ( 1.011 -0.255 -1.790) 2.072 7.167 ( -3.686 -0.765 5.235) 6.448 7.183 ( 4.553 -1.960 3.519) 6.079 7.346 ( -1.384 5.048 8.845) 10.277 7.369 ( -1.090 1.741 7.514) 7.790 7.518 ( 3.667 2.821 -0.900) 4.713 7.558 ( 0.826 -0.667 -2.449) 2.669 7.581 ( 2.094 2.257 -2.018) 3.681 7.636 ( -0.171 -2.552 -6.257) 6.760 7.849 ( -0.087 1.290 3.417) 3.653 7.863 ( -1.606 0.443 2.287) 2.830 8.067 ( 0.900 3.130 0.299) 3.270 8.107 ( -2.207 -0.080 -3.253) 3.931 8.293 ( -1.823 0.820 -2.153) 2.938 8.326 ( -1.263 -3.050 -5.229) 6.184 8.549 ( 2.766 3.743 2.594) 5.328 8.590 ( 0.441 2.499 -1.007) 2.730 8.650 ( 1.846 -3.162 0.726) 3.733 8.667 ( -1.231 -2.876 -0.683) 3.202 8.885 ( -1.406 2.152 0.356) 2.595 8.931 ( 1.537 -2.441 -4.242) 5.130 9.092 ( 1.062 0.338 2.158) 2.429 9.111 ( -2.005 -1.711 0.127) 2.639 9.417 ( -0.497 3.583 7.170) 8.031 9.454 ( 0.710 1.011 3.095) 3.333 9.483 ( -3.348 2.931 -0.628) 4.494 9.499 ( -2.535 1.246 -1.283) 3.103 9.586 ( 2.882 5.007 3.075) 6.545 9.676 ( -1.845 -4.609 8.618) 9.946 9.709 ( -0.846 6.111 -5.638) 8.357 9.804 ( -1.278 1.284 2.358) 2.973 9.824 ( 1.958 -2.643 0.848) 3.397 9.859 ( -0.429 -2.024 0.235) 2.082 9.873 ( 2.100 -0.560 -3.903) 4.467 9.927 ( 1.385 -6.084 -8.189) 10.295 10.070 ( 0.461 3.248 4.588) 5.640 10.105 ( -0.349 -0.922 2.652) 2.829 10.173 ( -0.796 -1.657 -0.337) 1.869 10.190 ( -1.742 -3.798 2.196) 4.720 10.243 ( 0.802 2.923 -7.427) 8.021 10.334 ( 2.420 -5.250 -9.361) 11.002 10.484 ( -1.326 -1.149 4.458) 4.790 10.532 ( 0.395 -5.661 -0.648) 5.712 10.773 ( -5.365 5.832 1.243) 8.021 10.794 ( 4.507 5.153 -0.140) 6.847 10.850 ( 0.412 -2.226 3.488) 4.158 10.880 ( -3.056 -4.651 2.666) 6.171 10.925 ( 1.709 2.881 -3.799) 5.065 11.003 ( 4.147 -4.642 -7.032) 9.391 11.365 ( 2.075 7.265 2.529) 7.968 11.399 ( -3.415 6.208 -0.717) 7.121 11.493 ( 2.088 -2.314 2.388) 3.926 11.533 ( -2.140 -5.961 -0.964) 6.407 11.652 ( 0.914 3.612 5.627) 6.748 11.747 ( -2.500 -0.186 -0.374) 2.535 11.794 ( -1.904 -3.958 0.675) 4.444 11.872 ( 2.124 -6.399 -3.537) 7.614 12.000 ( 0.970 3.421 -0.301) 3.568 12.069 ( 1.151 -4.855 -7.829) 9.284 12.668 ( -2.195 3.291 -0.536) 3.993 12.685 ( 1.903 1.916 -2.437) 3.637 13.236 ( -0.718 3.404 4.240) 5.485 13.295 ( 1.169 -2.344 -2.039) 3.319 13.760 ( 1.188 1.159 2.749) 3.211 13.788 ( -0.532 -0.707 1.122) 1.429 13.923 ( -0.494 -0.508 0.815) 1.080 13.997 ( 0.106 -7.195 -5.804) 9.245 14.462 ( 0.129 4.098 3.500) 5.391 14.490 ( 1.014 1.098 0.806) 1.698 14.756 ( -0.693 0.060 1.828) 1.956 14.770 ( -0.046 -0.959 -0.177) 0.976 14.913 ( -1.646 2.164 3.696) 4.588 14.943 ( -0.463 -0.882 1.629) 1.909 15.205 ( -0.610 1.507 1.930) 2.523 15.248 ( 1.233 -2.707 -2.107) 3.646 17.236 ( 2.065 5.193 0.363) 5.600 17.254 ( -0.945 4.939 -1.407) 5.222 17.322 ( -0.695 -3.120 0.555) 3.244 17.341 ( 0.823 -3.628 -1.405) 3.976 17.929 ( 0.524 16.919 4.796) 17.594 18.040 ( -1.265 9.139 -7.132) 11.661 18.453 ( -1.909 -4.163 0.058) 4.581 18.458 ( 0.827 -3.701 -0.508) 3.826 18.665 ( 0.587 2.845 5.100) 5.869 18.766 ( 0.227 -5.679 0.788) 5.738 18.843 ( 0.678 1.760 -1.519) 2.422 19.012 ( -1.940 -11.592 -12.363) 17.058 19.399 ( -0.158 1.539 1.509) 2.161 19.412 ( 1.726 0.386 0.025) 1.768 19.605 ( 0.774 -0.757 -0.296) 1.122 19.615 ( -0.426 -1.625 -1.265) 2.103 20.344 ( -0.251 0.141 4.275) 4.285 20.374 ( 1.668 -2.961 1.614) 3.763 20.603 ( 2.158 -1.035 1.013) 2.598 20.615 ( -1.205 -2.125 -0.198) 2.451 20.952 ( -2.836 3.667 0.647) 4.680 20.970 ( -0.372 2.340 -1.177) 2.645 21.256 ( -0.473 1.300 4.013) 4.244 21.324 ( 1.920 -5.114 -3.294) 6.379 22.328 ( 0.933 0.727 0.782) 1.418 22.338 ( -0.415 -0.186 -0.106) 0.467 22.359 ( -0.103 0.011 0.126) 0.163 22.368 ( -0.498 -0.740 -0.605) 1.078 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 3.198 6.872 5.951) 9.636 1.197 ( 7.915 -1.317 -5.659) 9.819 1.441 ( 10.761 0.857 10.044) 14.745 1.473 ( 11.131 0.881 2.342) 11.409 1.622 ( 10.827 -0.144 -8.668) 13.870 1.676 ( 7.745 -7.012 -6.326) 12.214 2.017 ( 2.769 4.319 -1.886) 5.466 2.066 ( -0.321 4.507 -2.260) 5.052 2.126 ( 1.403 -4.291 -2.167) 5.008 2.195 ( 0.053 -1.583 1.248) 2.017 2.288 ( 3.595 6.996 1.948) 8.103 2.383 ( 2.219 -0.357 -1.936) 2.966 2.564 ( -0.295 2.022 1.729) 2.677 2.583 ( -4.043 -0.366 1.089) 4.203 2.610 ( -1.676 7.015 -0.534) 7.232 2.699 ( 3.452 -2.091 -0.950) 4.146 2.751 ( -9.808 3.816 -0.422) 10.533 2.779 ( -6.104 5.060 -2.658) 8.362 2.867 ( -6.059 -3.906 0.360) 7.217 2.886 ( -7.348 -3.746 0.571) 8.267 3.001 ( 4.977 2.996 4.016) 7.062 3.024 ( 2.250 -0.545 4.005) 4.626 3.090 ( 2.189 0.050 -0.565) 2.261 3.139 ( 4.776 -3.662 1.174) 6.132 3.201 ( 2.844 0.026 0.066) 2.845 3.216 ( 0.933 -2.858 0.007) 3.006 3.280 ( 7.773 3.376 -2.462) 8.825 3.335 ( 4.135 6.617 9.098) 11.986 3.384 ( 6.185 1.260 1.219) 6.429 3.493 ( 2.799 -0.965 1.431) 3.289 3.519 ( 2.289 7.550 -8.008) 11.241 3.580 ( 2.006 0.461 1.503) 2.549 3.602 ( 3.123 7.614 -0.010) 8.229 3.639 ( 2.445 8.380 -0.198) 8.731 3.665 ( 0.854 0.460 -1.522) 1.805 3.697 ( -1.020 0.047 1.425) 1.753 3.791 ( 2.181 3.307 -0.931) 4.069 3.833 ( 0.712 -2.810 3.566) 4.596 3.943 ( 5.499 -7.406 -1.816) 9.401 4.011 ( 8.233 -6.145 1.897) 10.447 4.066 ( 5.876 -3.001 0.209) 6.601 4.088 ( 1.894 -5.022 -4.830) 7.221 4.192 ( 1.496 2.500 3.003) 4.184 4.211 ( -2.015 7.268 3.253) 8.214 4.237 ( -2.084 -3.734 3.049) 5.252 4.393 ( 1.611 2.631 -8.634) 9.169 4.444 ( -2.157 -5.409 -4.548) 7.389 4.512 ( -2.283 -0.479 3.148) 3.918 4.524 ( 2.673 -10.162 2.535) 10.809 4.538 ( -4.119 -1.764 -3.258) 5.540 4.625 ( -0.313 -3.917 -3.526) 5.279 4.688 ( 1.946 -8.710 -2.516) 9.272 4.931 ( -4.862 -1.511 -0.272) 5.098 4.983 ( -2.687 -5.103 -0.274) 5.773 5.126 ( 0.768 5.169 -1.515) 5.441 5.206 ( 2.247 -0.226 0.600) 2.337 5.217 ( 1.052 6.766 2.119) 7.168 5.339 ( 3.115 -1.440 -0.534) 3.473 5.362 ( 1.501 -6.012 2.235) 6.588 5.375 ( 0.131 -2.971 1.457) 3.312 5.595 ( -5.170 3.032 -3.603) 6.993 5.658 ( -1.251 -3.765 -0.130) 3.970 5.798 ( -7.601 3.451 0.817) 8.388 5.890 ( -3.794 -5.703 2.325) 7.233 6.014 ( -4.835 2.828 0.995) 5.689 6.028 ( -4.013 2.099 -0.394) 4.546 6.110 ( -3.931 3.318 0.338) 5.156 6.121 ( -3.323 1.990 -1.633) 4.203 6.297 ( -4.142 6.053 0.312) 7.340 6.382 ( 2.940 3.534 1.483) 4.830 6.394 ( -2.224 -1.963 0.140) 2.969 6.447 ( 0.430 -3.106 -0.028) 3.135 6.500 ( -3.188 0.574 -1.197) 3.453 6.522 ( -3.230 -1.834 -3.412) 5.044 6.660 ( -0.098 2.174 1.689) 2.755 6.735 ( 0.287 -3.766 -0.270) 3.787 6.854 ( -2.012 3.290 2.651) 4.680 6.911 ( -2.438 -2.992 3.568) 5.256 7.184 ( 1.421 4.436 1.251) 4.823 7.246 ( -3.317 0.957 2.563) 4.300 7.289 ( -4.556 2.728 0.822) 5.374 7.321 ( -5.688 -0.290 1.375) 5.859 7.554 ( 0.524 2.139 -3.286) 3.956 7.590 ( 1.272 1.583 -0.526) 2.098 7.629 ( 4.992 -2.995 -1.252) 5.954 7.637 ( 4.719 -1.825 -1.840) 5.384 7.895 ( 2.170 3.701 1.609) 4.582 7.945 ( 5.590 -0.914 1.443) 5.846 8.020 ( -2.930 1.767 -0.501) 3.458 8.044 ( 0.169 -1.155 0.079) 1.170 8.253 ( -1.043 3.864 1.256) 4.195 8.308 ( -1.138 -1.840 1.234) 2.491 8.610 ( 2.640 3.598 -3.516) 5.681 8.651 ( 4.669 -1.289 -1.066) 4.959 8.759 ( 10.958 0.891 -0.080) 10.994 8.794 ( 10.283 -2.594 -0.289) 10.609 8.849 ( -1.971 -0.353 1.881) 2.747 8.879 ( -3.276 -3.228 -1.383) 4.803 9.062 ( -2.136 3.263 0.995) 4.025 9.117 ( -0.172 -2.014 1.888) 2.766 9.349 ( -6.657 5.552 3.795) 9.463 9.412 ( -4.691 -0.100 -0.418) 4.711 9.492 ( 1.125 5.955 -1.824) 6.329 9.536 ( 4.085 1.699 3.853) 5.866 9.620 ( -2.254 2.566 -4.829) 5.915 9.659 ( -0.700 -0.107 6.246) 6.286 9.689 ( -3.178 0.021 2.316) 3.933 9.764 ( -1.875 -7.449 4.719) 9.015 9.831 ( -0.804 3.801 -1.737) 4.256 9.882 ( 2.307 0.671 -3.746) 4.450 9.922 ( 4.461 -2.296 -3.081) 5.888 9.967 ( 7.527 -4.776 -3.502) 9.578 10.086 ( -1.194 1.701 1.217) 2.408 10.122 ( -1.944 -1.931 2.140) 3.476 10.182 ( 3.971 0.522 0.306) 4.017 10.232 ( 4.353 -4.405 5.050) 7.991 10.245 ( 3.271 2.007 -3.508) 5.199 10.308 ( 0.901 -4.839 -8.546) 9.862 10.468 ( -3.816 -0.396 4.672) 6.045 10.518 ( -1.529 -4.140 -1.428) 4.639 10.701 ( -2.031 4.985 0.012) 5.383 10.789 ( -4.391 -3.430 -0.078) 5.572 10.873 ( 0.298 -0.419 5.452) 5.476 10.882 ( -0.038 -1.001 0.079) 1.004 10.969 ( 5.774 3.997 -4.823) 8.519 11.046 ( 4.735 -4.022 -6.390) 8.912 11.312 ( -4.938 6.189 -0.028) 7.918 11.374 ( -4.702 1.905 1.999) 5.453 11.467 ( -0.889 1.081 -0.006) 1.399 11.553 ( 1.203 -4.950 1.554) 5.326 11.634 ( -1.945 3.321 1.256) 4.048 11.728 ( -4.009 -6.379 2.264) 7.867 11.802 ( 4.682 6.201 0.817) 7.813 11.955 ( 5.434 -9.610 1.081) 11.093 12.003 ( 0.708 4.247 -2.473) 4.965 12.082 ( 4.311 -4.758 -5.894) 8.716 12.610 ( -3.614 7.030 0.815) 7.946 12.710 ( 1.500 -2.777 -1.306) 3.416 13.239 ( -1.624 2.914 2.073) 3.927 13.307 ( 1.381 -3.256 -2.494) 4.328 13.697 ( -4.302 2.099 -0.776) 4.849 13.779 ( -2.635 -5.770 0.958) 6.415 13.954 ( 3.210 1.869 0.591) 3.761 14.026 ( 3.484 -5.357 -0.954) 6.461 14.456 ( -2.260 3.904 0.725) 4.568 14.481 ( -1.541 1.473 -1.933) 2.877 14.763 ( 0.297 0.057 1.458) 1.489 14.777 ( 0.505 -1.177 0.616) 1.422 14.907 ( -1.132 2.919 3.431) 4.645 14.945 ( -0.482 -0.903 1.651) 1.942 15.213 ( 0.460 2.181 1.006) 2.446 15.263 ( 1.750 -2.868 -2.238) 4.037 17.209 ( -0.037 6.598 -1.070) 6.684 17.308 ( 1.601 -3.726 -0.383) 4.074 17.325 ( 4.166 6.210 -0.160) 7.480 17.426 ( 5.885 -3.413 -0.892) 6.862 17.960 ( -0.647 12.068 0.168) 12.087 17.987 ( 0.427 12.476 0.723) 12.504 18.387 ( -5.303 -5.284 0.687) 7.518 18.454 ( -1.904 -7.789 0.991) 8.080 18.682 ( 2.336 4.350 0.150) 4.939 18.831 ( -1.542 -12.329 -1.458) 12.510 18.853 ( 6.813 5.640 -0.441) 8.855 18.991 ( 3.924 -8.787 0.108) 9.624 19.396 ( 0.058 3.895 -1.119) 4.053 19.452 ( 2.170 -1.819 -2.349) 3.679 19.603 ( 0.654 0.387 -0.530) 0.926 19.624 ( 1.109 -1.995 0.036) 2.283 20.308 ( -5.171 1.461 1.025) 5.470 20.353 ( -2.951 -2.654 -2.045) 4.465 20.568 ( -2.732 1.350 -0.790) 3.148 20.625 ( -0.803 -4.852 -0.062) 4.918 20.885 ( -5.308 5.483 3.721) 8.490 20.944 ( -3.294 -0.714 2.678) 4.306 21.195 ( -7.586 2.175 1.591) 8.050 21.262 ( -5.578 -4.320 -4.475) 8.355 22.339 ( 1.051 1.131 -0.597) 1.655 22.362 ( 1.518 -1.350 -0.295) 2.052 22.376 ( 2.349 0.555 0.626) 2.493 22.388 ( 2.301 -0.706 0.422) 2.444 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.621 6.316 4.809) 10.337 1.374 ( 8.342 -8.402 -1.796) 11.975 1.489 ( 5.082 11.380 -0.182) 12.465 1.709 ( 6.230 -11.411 -1.060) 13.044 1.858 ( 14.620 7.806 6.621) 17.847 1.892 ( 13.582 7.379 -8.529) 17.654 2.031 ( 3.129 -6.842 2.989) 8.095 2.092 ( 5.733 -9.245 -8.389) 13.738 2.174 ( 6.221 10.196 4.615) 12.805 2.325 ( 2.458 6.051 1.263) 6.652 2.346 ( 5.600 -7.373 3.702) 9.972 2.363 ( -0.423 1.168 1.339) 1.827 2.501 ( -6.221 -1.600 4.363) 7.765 2.531 ( -9.502 -1.369 7.601) 12.245 2.541 ( -3.389 4.793 -1.893) 6.168 2.614 ( -5.906 2.076 -0.610) 6.289 2.677 ( -6.294 -4.065 0.007) 7.492 2.686 ( -3.646 -3.481 -0.708) 5.091 2.832 ( 6.720 1.911 -0.589) 7.011 2.889 ( 6.568 -2.572 0.883) 7.109 3.028 ( -2.187 1.677 1.164) 2.992 3.078 ( 1.937 0.125 -0.454) 1.994 3.086 ( -2.719 -0.581 -3.492) 4.464 3.128 ( -1.703 -4.027 0.155) 4.375 3.268 ( 3.214 3.804 5.346) 7.306 3.332 ( 5.835 -1.531 -1.797) 6.295 3.408 ( 5.376 3.274 -1.063) 6.384 3.445 ( 4.829 0.183 -6.567) 8.154 3.483 ( 6.349 4.892 3.070) 8.583 3.511 ( -2.179 3.141 -1.921) 4.279 3.539 ( 1.682 3.754 -3.157) 5.186 3.598 ( 0.400 -1.114 1.513) 1.921 3.636 ( 2.997 2.668 -0.042) 4.013 3.650 ( 2.032 -0.806 0.294) 2.206 3.737 ( 3.200 6.063 -1.931) 7.122 3.829 ( 11.405 6.874 -2.604) 13.569 3.835 ( 1.633 -1.781 -3.948) 4.628 3.913 ( 8.614 6.682 4.331) 11.731 3.986 ( -2.959 1.767 -0.909) 3.564 4.073 ( -1.755 -1.679 1.666) 2.945 4.138 ( 5.029 -1.567 -1.737) 5.547 4.147 ( -2.769 7.027 -2.182) 7.862 4.199 ( -1.195 3.140 -1.111) 3.539 4.245 ( 8.910 -0.437 2.348) 9.225 4.295 ( 3.585 -3.669 -4.817) 7.037 4.363 ( -2.602 2.148 -7.674) 8.383 4.381 ( 2.572 -9.184 5.897) 11.213 4.458 ( -1.294 -3.669 -1.242) 4.084 4.511 ( 2.862 -3.684 2.170) 5.145 4.589 ( 4.816 -10.003 -4.574) 12.007 4.667 ( 5.670 -3.788 8.606) 10.980 4.733 ( 4.731 -5.867 0.512) 7.554 4.865 ( -3.945 1.065 3.839) 5.607 4.944 ( -1.373 -5.026 0.751) 5.264 5.125 ( -2.763 3.321 1.992) 4.757 5.159 ( -5.854 1.069 3.150) 6.733 5.294 ( 0.122 3.487 -2.841) 4.500 5.346 ( -1.771 -0.977 0.944) 2.232 5.388 ( 2.574 1.700 1.014) 3.247 5.439 ( 2.600 -3.322 1.189) 4.383 5.493 ( -2.490 6.297 -2.403) 7.186 5.620 ( -2.153 -6.454 -1.585) 6.985 5.664 ( -4.458 3.758 -0.533) 5.855 5.782 ( -6.434 -7.431 0.384) 9.837 5.916 ( -6.590 3.663 -1.005) 7.606 5.944 ( -6.625 0.346 0.958) 6.703 6.002 ( -7.288 1.141 -1.639) 7.557 6.014 ( -5.165 0.792 1.441) 5.421 6.206 ( -5.864 3.947 2.392) 7.462 6.296 ( -7.324 -4.683 0.457) 8.705 6.383 ( -4.230 3.859 -0.948) 5.804 6.431 ( -1.862 -1.368 -2.136) 3.147 6.504 ( 2.996 0.625 -0.094) 3.061 6.538 ( 3.321 -2.936 0.366) 4.447 6.625 ( -1.788 1.345 0.593) 2.314 6.673 ( -3.313 -3.418 1.315) 4.939 6.875 ( 1.699 4.213 -0.137) 4.545 6.937 ( 0.780 -2.096 0.801) 2.375 7.123 ( -7.778 3.852 0.810) 8.718 7.153 ( -7.532 1.792 0.731) 7.777 7.238 ( 2.482 3.510 1.178) 4.458 7.298 ( 1.210 -2.879 0.426) 3.152 7.534 ( -0.964 2.955 -2.185) 3.800 7.593 ( -0.304 -2.060 -1.157) 2.382 7.714 ( 3.474 -0.190 3.619) 5.020 7.748 ( 5.577 -2.766 1.904) 6.510 7.905 ( 0.255 2.394 -0.352) 2.433 7.937 ( -0.981 -0.734 0.447) 1.304 8.112 ( 6.592 2.026 -0.619) 6.924 8.124 ( 5.986 0.623 -1.041) 6.107 8.240 ( -0.947 2.865 0.008) 3.017 8.280 ( -2.483 -1.112 0.081) 2.722 8.629 ( 0.402 2.164 0.989) 2.413 8.685 ( -0.336 -3.632 1.233) 3.850 8.844 ( 2.991 0.824 0.891) 3.228 8.859 ( 2.819 -0.265 2.527) 3.795 8.969 ( 6.568 1.073 -0.110) 6.656 8.977 ( 8.348 -1.204 -0.511) 8.450 9.051 ( -0.051 4.165 0.625) 4.212 9.124 ( -1.026 -2.775 3.168) 4.335 9.251 ( -4.918 5.924 0.544) 7.719 9.325 ( -4.602 -0.379 -1.967) 5.019 9.431 ( -1.962 3.344 -8.870) 9.680 9.499 ( -4.532 -2.634 -8.972) 10.391 9.599 ( -0.384 3.000 5.170) 5.989 9.673 ( 0.022 -4.707 5.032) 6.891 9.739 ( 0.087 2.613 7.498) 7.941 9.784 ( -0.688 1.928 4.481) 4.927 9.836 ( 2.882 -1.621 3.089) 4.525 9.890 ( 2.019 -0.415 -4.037) 4.533 9.931 ( -1.234 -0.627 -3.828) 4.071 10.025 ( -0.656 -5.831 -2.107) 6.235 10.126 ( 4.679 3.315 -1.048) 5.830 10.143 ( 4.074 0.905 -0.963) 4.283 10.237 ( 1.914 -1.106 -1.897) 2.913 10.252 ( 2.517 -2.737 -1.926) 4.188 10.340 ( 5.369 0.516 0.428) 5.411 10.383 ( 4.344 -4.075 3.294) 6.806 10.420 ( -1.190 1.092 3.898) 4.219 10.471 ( -2.620 -2.761 -0.116) 3.808 10.682 ( -0.746 0.131 -1.221) 1.437 10.705 ( -3.543 -1.896 -2.158) 4.561 10.873 ( -0.197 0.880 1.077) 1.404 10.902 ( 0.781 -1.882 1.932) 2.807 11.041 ( 2.517 2.208 -2.800) 4.365 11.062 ( -0.185 -0.164 -2.515) 2.528 11.240 ( -2.438 1.919 -0.595) 3.160 11.258 ( -6.218 -0.078 0.198) 6.222 11.483 ( 0.892 4.568 1.633) 4.932 11.555 ( -0.702 -1.628 -0.107) 1.776 11.645 ( 1.332 -0.616 1.101) 1.835 11.689 ( -1.560 -3.686 1.434) 4.251 11.884 ( 3.068 7.725 2.198) 8.598 12.000 ( 0.945 5.848 -2.954) 6.619 12.053 ( 2.929 -9.294 3.764) 10.446 12.126 ( 4.487 -7.382 -6.021) 10.530 12.560 ( -2.828 9.500 3.290) 10.444 12.720 ( 0.732 -5.912 -1.452) 6.132 13.190 ( -4.204 1.276 -0.328) 4.406 13.288 ( -1.643 -7.675 -3.803) 8.721 13.653 ( 0.826 3.432 -1.689) 3.913 13.751 ( -0.437 -6.946 -0.264) 6.965 14.018 ( 2.349 2.767 2.814) 4.593 14.077 ( 1.233 -3.865 2.840) 4.952 14.395 ( -3.420 3.416 -2.589) 5.483 14.415 ( -3.081 1.223 -4.197) 5.348 14.782 ( 0.688 0.639 1.215) 1.536 14.795 ( 0.661 -0.667 1.440) 1.719 14.916 ( -0.053 2.597 2.236) 3.427 14.946 ( -0.433 -0.222 1.050) 1.158 15.233 ( 1.098 2.260 0.564) 2.575 15.280 ( 1.624 -2.406 -2.298) 3.702 17.234 ( 2.629 9.856 0.437) 10.210 17.361 ( 2.790 1.927 -0.934) 3.517 17.387 ( 3.280 2.791 0.983) 4.417 17.502 ( 2.927 -2.593 -1.463) 4.175 17.973 ( 3.778 7.524 -0.582) 8.440 18.033 ( 1.797 5.220 3.859) 6.736 18.284 ( -5.464 -6.497 -0.614) 8.511 18.388 ( -6.053 -12.486 1.369) 13.943 18.773 ( 6.681 2.846 -0.087) 7.262 18.822 ( 2.786 -1.731 -1.328) 3.539 18.992 ( 6.382 0.417 2.370) 6.820 19.066 ( 1.940 -6.008 4.643) 7.837 19.378 ( -0.296 4.357 -4.411) 6.207 19.440 ( -0.419 -1.986 -5.590) 5.947 19.629 ( 1.553 1.081 -0.064) 1.893 19.664 ( 3.044 -2.406 0.464) 3.908 20.194 ( -6.165 4.042 -1.904) 7.614 20.258 ( -4.641 -2.251 -4.685) 6.968 20.529 ( -1.453 2.296 1.251) 2.991 20.594 ( -1.800 -4.198 0.009) 4.567 20.815 ( -5.297 4.463 5.400) 8.783 20.881 ( -6.193 -2.429 5.217) 8.454 21.031 ( -9.420 2.753 -1.035) 9.868 21.093 ( -8.166 -3.473 -5.819) 10.612 22.368 ( 2.072 0.966 0.091) 2.288 22.389 ( 1.596 -1.318 0.146) 2.075 22.429 ( 2.480 0.080 0.176) 2.488 22.433 ( 2.137 -0.285 -0.244) 2.170 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 2.570 1.527 3.203) 4.381 1.395 ( 0.688 -4.035 -0.502) 4.124 1.735 ( 12.215 4.926 1.645) 13.274 1.831 ( 2.773 -5.383 2.259) 6.463 1.995 ( 8.804 2.859 -4.779) 10.417 2.022 ( 6.667 0.875 -3.596) 7.625 2.083 ( -1.206 3.450 2.150) 4.241 2.160 ( -7.716 -2.829 1.049) 8.285 2.276 ( -1.884 1.618 0.535) 2.541 2.328 ( -6.533 -1.492 -0.060) 6.701 2.373 ( 10.056 3.427 6.258) 12.330 2.414 ( -0.080 2.305 2.843) 3.661 2.479 ( 2.545 -4.286 3.111) 5.876 2.505 ( 2.995 -3.437 3.925) 6.015 2.535 ( 0.519 1.593 5.356) 5.612 2.580 ( 2.240 -1.692 2.895) 4.033 2.627 ( 0.463 -1.126 1.746) 2.129 2.683 ( 4.575 -4.797 -2.694) 7.155 2.861 ( -3.993 2.626 -3.425) 5.880 2.904 ( -3.019 -1.573 -5.247) 6.255 3.018 ( 1.255 4.691 3.326) 5.886 3.064 ( -0.125 1.972 -0.468) 2.030 3.106 ( 0.022 -2.512 -0.136) 2.516 3.122 ( 1.757 -5.289 1.660) 5.816 3.278 ( -2.830 4.855 0.186) 5.622 3.362 ( -0.405 -3.035 -4.942) 5.813 3.429 ( 0.375 5.023 -1.142) 5.165 3.465 ( -0.879 2.544 -0.873) 2.830 3.495 ( -2.773 0.729 -1.976) 3.482 3.506 ( 2.817 -2.772 -3.386) 5.204 3.591 ( -0.844 3.742 0.954) 3.953 3.642 ( 3.855 -0.398 -1.472) 4.146 3.697 ( 0.617 2.639 1.844) 3.278 3.722 ( 1.353 2.544 0.619) 2.947 3.764 ( 7.522 4.597 1.683) 8.974 3.861 ( -4.976 4.041 -1.740) 6.642 3.882 ( 4.565 -3.855 -1.392) 6.135 3.915 ( -6.556 0.491 -0.055) 6.574 3.996 ( 2.348 2.490 -5.375) 6.372 4.050 ( -4.530 -0.823 -4.447) 6.401 4.060 ( 0.771 -0.133 -3.322) 3.413 4.084 ( -5.855 2.027 -0.667) 6.232 4.229 ( 0.559 4.336 -2.847) 5.217 4.265 ( 1.912 0.744 -6.072) 6.409 4.348 ( 7.612 4.912 6.090) 10.916 4.433 ( 5.330 -2.877 0.145) 6.058 4.482 ( 0.644 -1.333 -0.317) 1.514 4.517 ( 6.397 -0.357 0.432) 6.422 4.676 ( 5.647 -4.020 1.593) 7.113 4.694 ( 7.545 -6.742 8.914) 13.485 4.823 ( 2.541 2.865 6.708) 7.724 4.844 ( 4.749 1.929 2.147) 5.557 4.901 ( 9.168 -1.283 0.726) 9.286 4.930 ( 0.348 -2.457 -2.505) 3.526 5.012 ( -6.859 1.220 -0.157) 6.969 5.039 ( -8.759 -0.864 2.011) 9.028 5.240 ( -3.801 1.293 0.676) 4.072 5.257 ( -1.660 -1.690 -0.487) 2.418 5.411 ( -2.617 2.139 3.461) 4.837 5.456 ( -3.465 -0.278 -2.497) 4.280 5.509 ( 1.902 1.629 -0.222) 2.514 5.581 ( -0.868 -3.969 -2.181) 4.611 5.615 ( -0.589 3.715 -1.462) 4.035 5.703 ( -1.542 -5.376 -3.401) 6.546 5.812 ( -2.631 1.165 0.903) 3.016 5.847 ( -3.633 -2.981 2.718) 5.429 5.897 ( -1.486 2.032 -2.142) 3.306 5.942 ( -2.664 -2.200 -0.193) 3.461 6.135 ( -3.959 1.858 4.843) 6.526 6.189 ( -3.687 -3.730 1.467) 5.446 6.283 ( -4.262 2.482 -2.584) 5.568 6.328 ( -4.714 -2.237 -4.164) 6.676 6.567 ( 3.543 1.091 1.257) 3.914 6.599 ( 2.369 -2.165 1.380) 3.493 6.644 ( 1.333 0.464 0.620) 1.542 6.661 ( 0.594 -1.418 0.215) 1.552 6.895 ( 1.513 2.886 -0.908) 3.383 6.935 ( 0.224 -1.024 -1.250) 1.631 6.993 ( -6.501 2.181 0.307) 6.864 7.023 ( -5.787 -0.730 -1.766) 6.094 7.329 ( 4.030 3.112 5.517) 7.507 7.359 ( 3.175 0.453 4.120) 5.221 7.493 ( -2.053 2.776 -1.780) 3.885 7.549 ( -3.300 -2.600 -2.574) 4.927 7.792 ( 1.453 1.312 6.477) 6.766 7.839 ( 2.310 -2.830 3.551) 5.095 7.917 ( 0.970 1.369 -1.453) 2.220 7.945 ( 0.711 -1.791 -1.063) 2.201 8.158 ( -0.213 3.860 -0.017) 3.866 8.190 ( 0.886 0.579 -3.829) 3.973 8.242 ( 2.777 0.507 -1.941) 3.426 8.256 ( 1.015 -0.973 -0.593) 1.526 8.656 ( 0.620 1.930 5.413) 5.780 8.703 ( 0.023 -2.427 5.141) 5.686 8.910 ( 1.776 2.132 0.829) 2.896 8.926 ( 1.736 0.112 0.773) 1.904 9.011 ( -1.503 3.833 1.114) 4.265 9.044 ( 0.211 2.571 -0.866) 2.722 9.072 ( 3.116 -0.455 -1.673) 3.566 9.109 ( -2.474 -4.134 0.969) 4.914 9.214 ( 0.556 1.728 0.099) 1.817 9.242 ( -1.292 -0.115 -2.632) 2.934 9.346 ( -1.770 -0.235 -7.314) 7.529 9.381 ( -2.014 -2.696 -8.305) 8.961 9.631 ( 0.356 3.024 5.406) 6.205 9.698 ( -1.000 -2.844 4.254) 5.214 9.754 ( 1.384 4.771 0.941) 5.056 9.803 ( -0.800 2.886 2.970) 4.218 9.870 ( -1.758 -4.730 -2.521) 5.641 9.886 ( -0.438 4.237 -2.137) 4.765 9.905 ( 0.997 -5.653 3.673) 6.815 9.995 ( -2.163 -6.010 0.494) 6.407 10.182 ( 3.891 3.440 -2.406) 5.724 10.217 ( 4.313 -0.370 -2.610) 5.055 10.273 ( 2.904 3.166 0.382) 4.313 10.308 ( -0.116 -0.685 3.392) 3.462 10.367 ( -1.236 2.144 1.552) 2.921 10.429 ( -0.945 -0.676 -0.459) 1.249 10.432 ( 2.222 -2.088 -0.837) 3.162 10.503 ( 2.533 -5.450 -1.861) 6.292 10.655 ( 0.927 0.138 -0.252) 0.971 10.675 ( 0.271 -2.246 -0.134) 2.266 10.902 ( 2.903 2.600 0.301) 3.908 10.949 ( 3.655 -2.398 0.454) 4.394 10.966 ( -6.298 2.830 0.106) 6.906 11.020 ( -5.057 -2.403 -0.824) 5.659 11.186 ( -1.295 3.287 1.568) 3.865 11.228 ( 0.352 -0.757 -2.282) 2.430 11.507 ( 0.630 3.758 1.353) 4.044 11.546 ( -0.170 0.428 -0.549) 0.717 11.664 ( -0.317 -0.666 1.651) 1.808 11.685 ( 0.376 -2.565 -0.045) 2.592 11.934 ( 0.488 7.452 2.317) 7.819 12.000 ( 1.752 8.710 -4.284) 9.863 12.089 ( -2.921 -8.837 6.685) 11.459 12.178 ( 6.077 -10.041 -7.626) 13.997 12.567 ( 0.867 9.888 5.387) 11.294 12.718 ( 0.542 -3.237 -3.619) 4.886 13.116 ( -2.684 -3.347 0.367) 4.306 13.211 ( -2.851 -11.043 -5.188) 12.529 13.689 ( 2.888 1.699 -0.760) 3.436 13.739 ( -1.264 -3.737 -0.763) 4.018 14.078 ( 1.844 1.553 4.710) 5.292 14.109 ( -0.030 -2.228 4.539) 5.056 14.316 ( -2.750 3.032 -3.629) 5.470 14.335 ( -2.003 0.719 -5.253) 5.668 14.799 ( 0.210 1.014 1.344) 1.697 14.811 ( 0.234 -0.117 0.796) 0.838 14.925 ( -0.539 2.047 1.805) 2.782 14.942 ( -0.529 0.443 0.640) 0.941 15.254 ( 0.465 1.846 0.708) 2.031 15.290 ( 0.962 -1.791 -2.260) 3.040 17.290 ( 1.763 12.128 2.538) 12.515 17.370 ( 0.171 10.678 -2.237) 10.911 17.458 ( 2.140 -3.182 2.130) 4.387 17.523 ( 0.840 -2.320 -2.015) 3.185 18.088 ( 6.266 -1.762 1.303) 6.638 18.092 ( 3.812 0.043 2.730) 4.689 18.194 ( -3.584 -4.875 -1.454) 6.222 18.264 ( -7.718 -9.791 0.325) 12.471 18.873 ( 2.368 2.428 2.425) 4.169 18.896 ( 4.411 0.062 -0.283) 4.420 19.099 ( 3.203 -1.175 2.648) 4.319 19.129 ( 2.691 -4.425 3.434) 6.214 19.332 ( -0.681 3.761 -6.220) 7.300 19.383 ( -0.764 -1.869 -7.718) 7.977 19.655 ( 1.198 1.957 0.495) 2.348 19.703 ( 0.682 -2.703 -1.352) 3.098 20.090 ( -4.307 5.003 0.899) 6.662 20.146 ( -4.063 -0.679 -3.322) 5.292 20.527 ( -0.379 2.345 2.111) 3.178 20.567 ( -1.142 -1.399 -0.390) 1.848 20.777 ( -1.926 1.298 4.280) 4.870 20.807 ( -4.665 -2.132 6.740) 8.470 20.888 ( -3.703 2.573 -3.353) 5.620 20.943 ( -2.910 -3.280 -5.724) 7.211 22.405 ( 1.433 0.390 0.641) 1.618 22.416 ( 0.849 -0.791 0.536) 1.278 22.455 ( 0.502 0.153 -0.454) 0.694 22.458 ( 0.657 -0.258 -0.523) 0.879 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.031 0.074 1.576) 1.578 1.404 ( 0.522 -2.966 -2.609) 3.984 1.741 ( -12.422 5.661 1.179) 13.702 1.837 ( -8.760 -3.710 3.003) 9.976 1.916 ( -12.239 3.578 3.009) 13.101 1.953 ( 0.696 -0.512 1.249) 1.518 2.150 ( 0.444 -1.532 -2.376) 2.861 2.164 ( -1.337 -2.608 -1.868) 3.475 2.308 ( 7.032 2.059 -2.211) 7.654 2.345 ( 10.600 -1.459 -0.851) 10.733 2.428 ( 2.981 2.815 0.841) 4.186 2.465 ( 1.992 -1.031 -2.070) 3.053 2.533 ( -4.324 3.258 -1.084) 5.522 2.553 ( -0.541 0.394 -0.779) 1.027 2.588 ( 1.703 -0.351 0.853) 1.936 2.607 ( -0.598 -1.810 0.110) 1.910 2.682 ( 2.967 -1.061 -3.701) 4.861 2.727 ( -2.063 -4.136 -8.302) 9.502 2.812 ( 2.674 -0.245 2.831) 3.902 2.830 ( 2.674 -2.267 0.791) 3.594 3.037 ( -0.999 2.439 1.679) 3.125 3.067 ( -3.968 -0.923 0.781) 4.148 3.076 ( 0.920 5.277 0.425) 5.374 3.155 ( 2.116 -1.934 0.040) 2.867 3.234 ( -5.111 0.335 5.229) 7.320 3.282 ( -4.359 -4.505 -1.813) 6.525 3.400 ( -3.236 6.087 4.005) 7.973 3.425 ( -3.063 1.852 3.933) 5.317 3.480 ( -1.832 -0.795 -2.172) 2.950 3.494 ( -1.130 -1.839 -1.191) 2.466 3.574 ( -2.188 2.963 3.896) 5.361 3.605 ( -1.655 -0.347 0.443) 1.748 3.702 ( -4.644 5.709 -0.651) 7.388 3.718 ( -7.424 4.610 1.073) 8.804 3.758 ( -1.519 6.429 7.543) 10.026 3.839 ( -2.643 -1.571 -2.081) 3.713 3.857 ( -6.249 -0.055 0.526) 6.271 3.876 ( 2.468 -1.810 2.888) 4.208 3.976 ( 3.386 1.560 -5.010) 6.245 3.990 ( 2.197 -1.937 0.339) 2.949 4.034 ( 2.058 4.039 -2.774) 5.314 4.154 ( 7.766 -3.878 -3.512) 9.364 4.232 ( 0.303 2.681 -1.447) 3.062 4.246 ( -1.507 0.329 -3.567) 3.886 4.383 ( -11.604 -1.944 0.663) 11.785 4.402 ( -8.143 -5.041 1.652) 9.719 4.499 ( 3.860 3.977 0.259) 5.548 4.539 ( -0.619 1.487 -0.219) 1.625 4.703 ( -10.114 2.504 -1.648) 10.548 4.792 ( -3.211 -3.118 -1.058) 4.598 4.835 ( 0.505 0.362 1.859) 1.960 4.883 ( 1.955 -3.144 4.587) 5.895 4.909 ( 0.706 0.292 -2.963) 3.060 4.934 ( 2.129 -0.268 -4.780) 5.240 5.054 ( 10.951 3.082 -3.868) 12.016 5.148 ( 11.433 -4.063 -4.884) 13.080 5.238 ( -1.137 3.935 -1.101) 4.241 5.277 ( 3.131 0.603 0.662) 3.256 5.364 ( -3.935 0.426 2.702) 4.792 5.385 ( -0.224 -0.754 3.506) 3.593 5.522 ( 1.935 -0.025 5.976) 6.281 5.525 ( -2.414 -1.902 2.513) 3.970 5.647 ( 0.515 -0.483 -4.966) 5.016 5.662 ( 1.638 -2.333 -2.740) 3.954 5.812 ( -0.120 1.754 1.755) 2.485 5.842 ( 2.921 -0.714 1.751) 3.480 5.910 ( 2.532 0.411 -3.046) 3.982 5.961 ( 6.252 -4.064 -2.730) 7.941 6.150 ( 2.060 2.340 5.284) 6.135 6.193 ( 1.923 -2.391 1.236) 3.308 6.249 ( 2.305 0.497 1.530) 2.811 6.278 ( 2.556 -2.401 -1.461) 3.799 6.597 ( -2.183 1.329 -1.303) 2.868 6.626 ( -0.095 -1.453 -0.988) 1.760 6.664 ( 1.360 0.365 -1.096) 1.784 6.678 ( 2.987 -0.841 -1.934) 3.657 6.875 ( -4.454 1.550 0.613) 4.756 6.902 ( -3.842 -0.611 1.199) 4.071 6.971 ( 4.455 2.066 2.731) 5.620 7.000 ( 4.028 -0.825 0.826) 4.194 7.393 ( -3.516 3.543 0.449) 5.011 7.422 ( 2.163 2.666 3.845) 5.155 7.449 ( -4.805 -0.342 -2.839) 5.591 7.486 ( 2.431 -1.663 2.553) 3.898 7.825 ( -3.008 1.502 4.570) 5.673 7.860 ( -2.020 -1.807 1.259) 2.988 7.907 ( -1.244 0.226 -0.505) 1.362 7.942 ( 1.036 -2.817 -1.541) 3.373 8.141 ( -1.579 3.952 0.845) 4.339 8.176 ( 0.098 0.435 -1.944) 1.994 8.252 ( -0.369 0.927 -2.787) 2.960 8.277 ( 1.613 -1.028 -2.834) 3.419 8.714 ( 1.287 0.912 4.563) 4.828 8.722 ( -0.978 0.714 0.870) 1.491 8.908 ( -1.163 1.352 0.610) 1.885 8.923 ( -0.638 1.084 -1.623) 2.053 8.999 ( -2.012 2.131 3.776) 4.779 9.038 ( -1.725 -1.888 0.744) 2.663 9.051 ( -3.067 0.309 -0.075) 3.084 9.096 ( 0.927 -2.595 0.911) 2.902 9.233 ( 0.077 -0.298 -0.222) 0.379 9.236 ( 0.407 0.877 -0.205) 0.989 9.296 ( 1.024 1.184 -3.442) 3.782 9.333 ( 2.339 -1.900 -5.677) 6.428 9.657 ( -0.899 3.441 4.575) 5.795 9.714 ( 0.109 -1.501 3.863) 4.146 9.778 ( 1.045 2.869 -3.486) 4.634 9.815 ( 0.404 3.621 0.123) 3.645 9.847 ( 0.997 -1.586 -2.493) 3.119 9.883 ( 3.574 0.366 -2.461) 4.355 9.938 ( -1.223 -5.835 3.764) 7.051 9.977 ( 0.417 -6.773 2.960) 7.403 10.193 ( -2.138 3.682 -0.943) 4.361 10.215 ( -3.213 1.120 -2.156) 4.028 10.295 ( -2.049 2.253 -1.395) 3.350 10.328 ( -0.380 3.026 -0.144) 3.054 10.343 ( -0.222 -1.012 1.232) 1.609 10.417 ( 1.788 3.470 -2.702) 4.748 10.442 ( -1.636 -6.959 2.009) 7.426 10.508 ( 1.432 -5.761 -2.633) 6.494 10.667 ( -0.448 0.612 -0.632) 0.987 10.692 ( 0.753 -1.883 -1.344) 2.433 10.871 ( -3.642 2.672 2.043) 4.958 10.921 ( -4.087 -2.449 2.420) 5.344 10.987 ( 5.331 2.851 -1.547) 6.241 11.040 ( 5.495 -2.761 -1.160) 6.259 11.182 ( -0.872 3.320 2.342) 4.155 11.216 ( -0.039 -0.240 -1.765) 1.782 11.521 ( -0.030 2.572 1.400) 2.929 11.536 ( -0.388 1.326 -1.222) 1.844 11.662 ( -1.137 0.129 1.834) 2.162 11.693 ( 0.878 -2.950 -0.694) 3.155 11.936 ( -1.158 4.000 1.782) 4.530 12.004 ( 1.345 10.924 -4.344) 11.832 12.047 ( -5.375 -6.360 5.998) 10.262 12.230 ( 4.347 -11.582 -7.989) 14.726 12.643 ( 2.925 6.416 4.265) 8.240 12.688 ( 0.443 3.036 -7.245) 7.868 13.119 ( 0.808 -7.569 3.154) 8.240 13.158 ( 1.420 -10.032 -2.944) 10.551 13.681 ( -4.029 1.169 -0.054) 4.195 13.720 ( -0.061 -2.937 0.972) 3.094 14.130 ( 0.182 1.345 1.290) 1.872 14.156 ( 3.110 -1.141 1.810) 3.775 14.259 ( -1.321 2.740 -0.026) 3.041 14.287 ( -0.206 -0.267 -2.038) 2.065 14.800 ( -1.151 1.259 1.605) 2.343 14.815 ( -0.154 -0.226 0.068) 0.282 14.920 ( -1.222 2.067 2.178) 3.241 14.937 ( -0.604 0.310 1.261) 1.432 15.255 ( -0.992 1.504 1.020) 2.070 15.283 ( -0.122 -1.449 -2.125) 2.575 17.301 ( -2.486 12.384 1.920) 12.776 17.362 ( 0.629 9.564 -1.872) 9.766 17.477 ( -1.559 -2.681 1.478) 3.436 17.510 ( -0.656 -2.978 -1.993) 3.643 18.095 ( -7.629 -1.598 0.774) 7.833 18.145 ( -0.893 0.847 -2.505) 2.791 18.157 ( 2.108 -6.579 2.164) 7.240 18.263 ( 8.786 -8.475 0.299) 12.211 18.878 ( -3.699 2.840 1.357) 4.857 18.916 ( -2.306 -0.983 -1.205) 2.782 19.150 ( 1.241 -0.005 -0.433) 1.314 19.192 ( 3.063 -3.693 -1.773) 5.115 19.294 ( -0.073 2.408 -2.046) 3.160 19.332 ( 1.045 -2.135 -6.821) 7.224 19.673 ( -1.947 -0.150 -1.274) 2.332 19.675 ( -0.211 -0.361 1.302) 1.367 20.054 ( -1.902 4.585 5.478) 7.392 20.093 ( -0.733 0.192 1.781) 1.936 20.533 ( -0.158 1.782 1.737) 2.493 20.556 ( 0.445 -0.743 0.082) 0.870 20.801 ( 2.100 1.748 4.680) 5.419 20.837 ( 3.010 -2.161 4.874) 6.122 20.861 ( 3.111 3.721 -4.027) 6.304 20.939 ( 6.310 -4.477 -5.871) 9.712 22.414 ( -1.254 0.140 -0.160) 1.272 22.420 ( -0.353 -0.484 0.182) 0.626 22.447 ( -1.161 0.188 0.195) 1.192 22.452 ( -0.742 -0.371 -0.067) 0.832 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -11.544 3.748 -0.940) 12.173 1.355 ( -2.853 -0.443 -4.242) 5.131 1.487 ( -6.550 9.573 0.916) 11.635 1.670 ( -5.567 -6.723 2.657) 9.124 1.767 ( -9.434 6.315 2.646) 11.657 1.935 ( -14.620 -10.274 3.432) 18.196 2.067 ( 1.392 0.246 -8.980) 9.091 2.101 ( -1.506 -2.163 -3.391) 4.295 2.286 ( -9.264 5.106 -6.237) 12.279 2.355 ( -3.707 -0.535 -0.521) 3.782 2.388 ( -8.113 3.837 -4.259) 9.934 2.439 ( -2.876 -1.198 -3.232) 4.489 2.523 ( -0.252 1.723 0.383) 1.783 2.531 ( 0.873 2.500 -0.857) 2.783 2.605 ( 4.580 1.194 1.183) 4.878 2.663 ( 11.015 -3.983 -4.199) 12.443 2.713 ( 6.270 1.917 -5.947) 8.852 2.770 ( 6.827 -3.286 -5.608) 9.426 2.814 ( -7.100 0.854 -0.024) 7.151 2.846 ( -4.526 -1.367 3.258) 5.742 3.013 ( 1.631 0.029 1.330) 2.105 3.036 ( 0.326 1.594 2.780) 3.221 3.114 ( -1.976 -0.025 -1.050) 2.238 3.142 ( -2.882 4.112 7.557) 9.073 3.164 ( -2.272 -2.131 -0.974) 3.263 3.254 ( -2.900 -3.837 8.645) 9.893 3.358 ( -2.014 4.663 6.390) 8.163 3.397 ( -3.824 4.281 -0.539) 5.765 3.454 ( 0.998 -0.442 3.986) 4.132 3.467 ( -3.675 1.737 1.062) 4.201 3.519 ( -8.590 7.535 1.444) 11.517 3.586 ( 0.358 2.489 1.328) 2.844 3.636 ( -2.097 2.262 6.711) 7.385 3.669 ( -4.913 0.397 -1.312) 5.101 3.679 ( -2.002 -5.267 -1.172) 5.755 3.744 ( -4.593 -0.590 -0.412) 4.650 3.799 ( -3.525 0.706 -0.098) 3.597 3.889 ( -6.759 -8.194 6.430) 12.417 4.018 ( -0.348 6.606 -0.733) 6.656 4.034 ( -0.709 2.487 1.919) 3.220 4.084 ( 2.354 3.723 -0.266) 4.413 4.143 ( 2.124 -0.498 6.823) 7.163 4.190 ( -5.031 -1.958 -1.369) 5.569 4.241 ( -4.768 -8.740 2.396) 10.240 4.259 ( 4.117 5.004 -4.782) 8.054 4.341 ( 2.673 -1.754 -2.051) 3.799 4.445 ( -5.916 2.055 -1.657) 6.478 4.495 ( -4.981 3.850 -4.012) 7.465 4.526 ( -2.336 -2.281 -1.088) 3.441 4.629 ( -9.223 -10.635 -4.841) 14.886 4.794 ( -4.257 1.274 -7.044) 8.329 4.867 ( -1.187 -4.553 -8.998) 10.154 4.958 ( 5.735 -2.350 -5.573) 8.335 4.968 ( 3.948 -1.063 -1.498) 4.354 5.191 ( 0.845 1.150 -3.320) 3.613 5.231 ( -1.494 7.465 3.573) 8.410 5.238 ( 1.310 -1.859 -1.137) 2.543 5.319 ( 4.492 4.251 1.899) 6.470 5.346 ( 3.143 -2.656 -0.708) 4.175 5.431 ( -1.276 -7.427 3.398) 8.266 5.543 ( 2.149 3.796 -4.121) 6.001 5.598 ( 0.857 -1.065 2.681) 3.009 5.636 ( 4.474 2.244 0.765) 5.064 5.738 ( 6.574 -7.407 2.356) 10.180 5.902 ( 7.576 3.804 0.926) 8.528 5.933 ( 5.326 1.972 4.035) 6.967 5.981 ( 6.868 2.942 -3.254) 8.149 6.046 ( 3.853 -1.663 -2.150) 4.716 6.226 ( 3.664 2.589 1.453) 4.716 6.290 ( 7.683 -4.251 1.720) 8.948 6.351 ( 5.315 1.674 1.924) 5.896 6.383 ( 5.827 -1.404 2.612) 6.537 6.534 ( -2.910 1.373 -3.033) 4.422 6.576 ( -2.430 -2.694 -3.028) 4.725 6.657 ( 0.626 2.669 -4.082) 4.917 6.713 ( 2.129 -2.708 -3.508) 4.917 6.840 ( -1.205 2.808 3.447) 4.606 6.891 ( 0.839 -2.002 5.542) 5.952 7.096 ( 5.174 1.927 4.159) 6.912 7.105 ( 5.469 1.560 5.182) 7.694 7.302 ( -4.680 2.413 -2.911) 6.017 7.323 ( -5.406 0.070 -2.704) 6.045 7.478 ( 0.706 3.271 3.329) 4.721 7.547 ( 1.522 -3.033 3.345) 4.765 7.737 ( -7.400 1.155 1.220) 7.588 7.784 ( -5.687 -3.012 -1.536) 6.616 7.902 ( 0.892 3.077 0.138) 3.207 7.953 ( 0.340 -1.445 -0.727) 1.653 8.095 ( -4.775 3.326 0.443) 5.836 8.144 ( -2.380 -1.994 -2.810) 4.188 8.245 ( 2.219 3.054 -0.468) 3.804 8.294 ( 2.975 -1.630 -1.822) 3.851 8.677 ( -3.065 1.321 -2.871) 4.403 8.710 ( -3.077 -1.871 -0.705) 3.670 8.853 ( -4.650 2.575 -0.075) 5.316 8.898 ( -1.288 0.458 -1.319) 1.899 8.956 ( -6.458 -3.034 0.971) 7.201 8.962 ( -5.490 -1.173 0.891) 5.685 9.047 ( 1.575 5.839 1.429) 6.214 9.154 ( 1.226 -5.374 1.374) 5.681 9.248 ( 2.063 2.296 3.047) 4.337 9.266 ( 5.174 2.304 3.698) 6.765 9.325 ( 2.243 2.922 0.281) 3.694 9.378 ( 3.653 -1.967 0.270) 4.158 9.687 ( 2.163 2.282 1.450) 3.463 9.732 ( -1.033 -1.851 2.206) 3.060 9.756 ( -0.809 4.601 -2.477) 5.287 9.810 ( 0.358 0.781 -1.661) 1.870 9.851 ( -1.086 -0.494 -0.783) 1.427 9.904 ( -1.720 -3.960 -1.345) 4.522 9.956 ( 1.302 -1.421 -1.247) 2.295 9.999 ( -1.198 -5.024 2.714) 5.834 10.113 ( -2.629 3.116 -4.087) 5.773 10.149 ( -0.695 0.064 -3.360) 3.432 10.213 ( -7.061 1.062 1.102) 7.225 10.244 ( -3.683 -1.808 -0.853) 4.191 10.355 ( -0.031 2.512 -0.014) 2.512 10.428 ( -1.994 -4.645 1.595) 5.301 10.450 ( 1.360 -0.383 -2.968) 3.287 10.508 ( 1.241 -5.635 -3.123) 6.561 10.677 ( 1.112 0.324 -0.555) 1.285 10.694 ( 3.067 -1.026 -0.541) 3.279 10.849 ( -0.897 2.874 2.678) 4.030 10.895 ( -0.840 -1.452 2.143) 2.722 11.041 ( 0.100 0.514 -1.155) 1.268 11.066 ( -1.860 -1.765 -3.639) 4.452 11.212 ( 3.017 4.666 1.958) 5.891 11.248 ( 5.020 -0.012 1.010) 5.121 11.515 ( -0.877 1.753 -1.458) 2.443 11.532 ( 0.257 0.870 1.802) 2.017 11.640 ( -2.593 -0.044 1.804) 3.159 11.711 ( 1.675 -5.018 -0.926) 5.371 11.921 ( -1.439 1.960 -0.074) 2.433 11.981 ( -3.608 0.415 2.581) 4.455 11.995 ( -1.271 6.482 -1.093) 6.695 12.217 ( 0.070 -11.766 -9.225) 14.951 12.657 ( 1.858 5.110 -6.990) 8.856 12.703 ( 1.266 0.905 0.574) 1.659 13.167 ( 2.880 -2.390 2.641) 4.580 13.219 ( 3.163 -6.934 2.533) 8.031 13.626 ( -1.075 3.428 0.738) 3.668 13.719 ( -0.667 -6.401 2.756) 7.001 14.083 ( -3.793 4.246 -3.721) 6.802 14.159 ( -1.536 -4.282 -5.204) 6.912 14.309 ( 3.708 3.015 5.391) 7.205 14.334 ( 3.756 -0.320 4.763) 6.074 14.783 ( -1.813 1.309 1.936) 2.958 14.803 ( -1.142 -0.669 -0.032) 1.324 14.914 ( -0.967 2.081 2.317) 3.261 14.938 ( -0.446 -0.287 2.041) 2.109 15.234 ( -1.882 1.359 1.349) 2.685 15.263 ( -0.586 -1.535 -1.694) 2.360 17.245 ( -3.314 10.154 -0.636) 10.701 17.348 ( -2.034 4.444 0.298) 4.896 17.416 ( -4.068 -1.627 -1.751) 4.718 17.483 ( -2.305 -2.428 0.497) 3.385 17.965 ( -5.829 7.012 0.472) 9.130 18.116 ( 0.342 -0.494 -4.588) 4.627 18.254 ( 6.029 -2.807 2.549) 7.123 18.404 ( 6.219 -11.300 -0.209) 12.900 18.771 ( -7.250 2.623 -0.048) 7.711 18.817 ( -6.365 -2.215 -0.717) 6.778 19.107 ( -2.263 4.259 -9.865) 10.981 19.201 ( 0.641 -4.312 -7.810) 8.944 19.309 ( 1.838 2.345 2.305) 3.767 19.360 ( 2.980 -3.837 0.877) 4.937 19.630 ( -1.909 1.315 -0.148) 2.323 19.662 ( -2.009 -1.921 0.813) 2.896 20.104 ( 3.117 3.878 8.288) 9.667 20.147 ( 3.330 -1.044 6.645) 7.506 20.544 ( 0.922 1.322 -0.304) 1.640 20.583 ( 1.644 -2.510 0.892) 3.130 20.893 ( 4.412 3.338 1.177) 5.656 20.919 ( 5.163 2.342 -2.056) 6.031 20.978 ( 8.068 1.552 5.194) 9.720 21.069 ( 10.766 -5.671 -4.674) 13.035 22.373 ( -2.598 0.895 -0.436) 2.782 22.394 ( -2.050 -1.428 -0.396) 2.529 22.423 ( -1.875 0.295 0.686) 2.018 22.430 ( -1.838 -0.423 0.207) 1.898 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -10.643 11.684 3.336) 16.153 1.244 ( -1.910 -5.257 -8.851) 10.470 1.386 ( -14.965 12.542 8.818) 21.425 1.580 ( -17.270 -5.454 -2.766) 18.321 1.621 ( 0.491 -1.333 -6.330) 6.488 1.700 ( -0.065 -11.717 -5.248) 12.839 2.001 ( -2.825 0.681 -2.369) 3.749 2.035 ( -2.071 -3.993 -1.923) 4.892 2.139 ( -2.260 9.411 -2.881) 10.098 2.261 ( -3.366 10.343 -4.535) 11.785 2.320 ( -1.443 -3.239 0.247) 3.555 2.368 ( -2.640 1.847 -0.939) 3.356 2.522 ( -1.412 4.839 5.466) 7.435 2.563 ( 1.678 -0.349 2.079) 2.694 2.598 ( -1.849 5.125 2.521) 6.003 2.707 ( -4.190 -2.023 -1.162) 4.796 2.733 ( 1.421 4.706 1.289) 5.082 2.810 ( 7.977 3.611 -4.881) 10.024 2.851 ( 4.048 -3.148 3.905) 6.446 2.903 ( 6.891 -2.746 -2.680) 7.887 3.030 ( -3.566 3.675 5.250) 7.333 3.055 ( -0.778 5.213 1.161) 5.397 3.094 ( -1.296 0.021 -2.948) 3.220 3.123 ( 1.493 -2.060 -1.704) 3.062 3.182 ( 1.037 -2.898 3.054) 4.336 3.217 ( -4.884 -3.005 0.131) 5.736 3.259 ( -11.253 2.591 0.955) 11.587 3.318 ( -3.483 3.502 0.822) 5.007 3.347 ( -4.488 0.022 1.746) 4.815 3.454 ( -1.404 0.015 2.062) 2.495 3.502 ( -2.186 0.423 4.318) 4.858 3.556 ( -2.295 -5.281 1.595) 5.975 3.598 ( 0.342 1.755 3.125) 3.600 3.659 ( -2.420 0.636 -2.032) 3.223 3.669 ( -2.114 -0.268 4.386) 4.876 3.693 ( 1.731 6.463 -1.195) 6.797 3.754 ( -4.582 -13.081 3.531) 14.302 3.791 ( -0.859 -1.517 1.566) 2.343 3.953 ( -4.846 3.658 3.646) 7.082 3.979 ( -4.460 3.746 -3.859) 6.987 4.073 ( -3.971 4.733 -1.111) 6.278 4.129 ( -1.500 2.323 -3.824) 4.719 4.202 ( -0.008 6.802 2.628) 7.292 4.235 ( -1.599 1.745 -1.158) 2.635 4.303 ( -0.180 -5.656 6.977) 8.983 4.357 ( 4.519 1.373 -4.312) 6.395 4.410 ( -0.270 -5.167 -2.182) 5.615 4.460 ( -0.608 -6.860 1.386) 7.026 4.495 ( 2.863 -5.368 0.794) 6.135 4.513 ( 1.964 -9.217 -0.419) 9.434 4.670 ( -3.095 0.702 -8.325) 8.910 4.768 ( -2.356 -7.303 -8.478) 11.435 5.020 ( 2.952 0.333 -3.280) 4.425 5.023 ( 5.013 -1.563 -6.157) 8.092 5.137 ( -2.453 2.935 -1.060) 3.970 5.173 ( -4.833 1.730 2.011) 5.513 5.276 ( 2.084 0.775 -2.558) 3.389 5.346 ( -2.972 0.083 0.147) 2.977 5.384 ( 0.649 -3.835 -0.310) 3.902 5.403 ( -1.473 -3.826 -2.602) 4.855 5.559 ( 3.066 2.948 -0.170) 4.256 5.645 ( 2.790 -5.109 1.353) 5.976 5.787 ( 8.359 5.223 2.528) 10.176 5.885 ( 5.038 -5.511 2.075) 7.750 6.002 ( 3.711 5.540 0.755) 6.711 6.045 ( 2.718 2.298 -2.748) 4.497 6.071 ( 4.125 1.461 3.486) 5.595 6.103 ( 2.644 -0.158 0.732) 2.748 6.315 ( 4.853 7.059 0.003) 8.566 6.403 ( 0.288 4.347 -1.881) 4.745 6.426 ( 2.341 -2.977 -1.722) 4.161 6.465 ( 2.725 -2.764 -1.868) 4.308 6.481 ( 3.035 -0.107 0.411) 3.065 6.519 ( -0.660 -3.929 -3.560) 5.343 6.669 ( 0.060 1.347 0.199) 1.363 6.713 ( -1.740 -2.564 1.248) 3.341 6.879 ( 4.236 5.269 0.973) 6.830 6.960 ( 3.378 -3.061 0.123) 4.560 7.161 ( -4.630 3.725 3.124) 6.713 7.223 ( -2.928 -2.207 7.293) 8.163 7.245 ( 4.262 3.238 4.989) 7.318 7.268 ( 3.378 0.910 3.030) 4.628 7.499 ( 0.190 4.110 1.820) 4.499 7.581 ( -0.065 -2.164 0.965) 2.370 7.610 ( -5.655 1.159 -0.370) 5.785 7.676 ( -2.441 -4.169 -4.500) 6.603 7.897 ( -4.132 2.963 1.895) 5.426 7.923 ( -4.944 0.291 2.612) 5.599 8.023 ( 1.017 4.464 -1.809) 4.923 8.108 ( 2.509 -3.478 -5.056) 6.630 8.297 ( 2.727 3.860 -1.861) 5.080 8.356 ( 3.431 -2.096 -2.255) 4.610 8.576 ( -5.467 1.158 -0.610) 5.622 8.627 ( -4.847 -3.219 0.459) 5.837 8.743 ( -8.396 2.889 1.145) 8.952 8.784 ( -9.761 -0.874 -0.589) 9.818 8.890 ( -0.442 -0.799 -1.434) 1.700 8.905 ( 2.384 -3.074 -2.934) 4.873 9.064 ( 0.151 4.963 0.727) 5.018 9.142 ( -1.390 -3.193 -0.258) 3.492 9.343 ( 3.455 4.346 6.137) 8.275 9.377 ( 3.926 2.953 1.392) 5.106 9.450 ( 8.166 1.189 5.192) 9.750 9.459 ( 3.344 -0.847 4.248) 5.473 9.630 ( -6.277 5.822 -4.236) 9.552 9.739 ( -3.146 -4.742 -2.970) 6.419 9.758 ( 0.845 3.103 2.351) 3.984 9.773 ( -2.490 0.846 1.499) 3.027 9.813 ( -1.736 -1.471 2.616) 3.467 9.867 ( -1.465 -6.261 1.032) 6.512 9.908 ( -1.640 0.443 -5.516) 5.772 9.959 ( -0.784 -4.620 -5.029) 6.874 10.073 ( -2.326 7.859 1.974) 8.430 10.131 ( -2.813 0.601 0.361) 2.899 10.158 ( 2.363 -1.589 -1.083) 3.046 10.203 ( -1.414 -5.567 1.924) 6.057 10.316 ( -2.219 0.526 -7.060) 7.419 10.362 ( -0.960 -3.954 -5.561) 6.891 10.468 ( 0.401 -0.734 2.447) 2.586 10.522 ( 1.323 -5.879 -1.240) 6.152 10.713 ( 3.521 4.711 -0.553) 5.908 10.777 ( 4.380 -1.959 1.651) 5.074 10.855 ( -2.149 3.663 3.065) 5.237 10.890 ( -1.641 0.603 3.160) 3.612 10.984 ( -3.760 -2.025 -2.776) 5.094 10.999 ( -0.203 -2.923 -5.253) 6.015 11.294 ( 4.035 6.495 1.494) 7.791 11.367 ( 5.637 -0.635 2.092) 6.046 11.485 ( -1.390 3.511 -1.570) 4.089 11.556 ( 0.505 -3.916 1.465) 4.211 11.605 ( -1.665 2.793 3.372) 4.684 11.744 ( 2.230 -8.640 0.186) 8.925 11.862 ( -3.736 4.237 -3.991) 6.917 11.922 ( -4.511 -3.307 2.744) 6.230 11.985 ( 0.776 6.198 -1.211) 6.363 12.134 ( -1.759 -9.129 -9.171) 13.059 12.660 ( 2.303 4.454 -4.441) 6.698 12.707 ( -0.629 -0.194 -0.843) 1.070 13.220 ( -0.059 2.405 4.248) 4.882 13.277 ( 1.995 -3.124 0.300) 3.719 13.669 ( 4.432 2.533 1.603) 5.350 13.752 ( 1.994 -6.012 3.607) 7.289 13.981 ( -4.468 3.755 -2.557) 6.372 14.076 ( -3.311 -6.458 -5.317) 8.996 14.408 ( 2.866 3.597 4.793) 6.643 14.434 ( 3.401 0.462 3.673) 5.027 14.764 ( -1.549 0.598 2.143) 2.712 14.781 ( -1.036 -0.683 0.081) 1.244 14.913 ( -0.806 2.030 2.585) 3.384 14.942 ( -0.545 -0.932 1.799) 2.098 15.212 ( -1.465 1.305 1.819) 2.675 15.247 ( 0.083 -2.135 -1.471) 2.594 17.202 ( -0.263 7.288 -0.447) 7.307 17.301 ( -2.302 -0.011 0.106) 2.305 17.338 ( -3.197 1.130 -1.152) 3.581 17.417 ( -4.888 -3.277 0.009) 5.885 17.908 ( -1.370 15.182 2.403) 15.432 18.091 ( 0.488 2.985 -6.576) 7.238 18.388 ( 6.448 -3.621 0.647) 7.423 18.473 ( 1.275 -7.771 -0.897) 7.926 18.660 ( -4.134 2.343 1.561) 5.002 18.738 ( -2.374 -7.319 5.272) 9.327 18.962 ( -5.216 8.711 -11.732) 15.515 19.129 ( -1.715 -7.793 -10.989) 13.581 19.362 ( 1.874 2.284 2.199) 3.683 19.405 ( 0.402 -2.607 1.758) 3.170 19.602 ( -0.704 0.898 -0.204) 1.159 19.633 ( -0.931 -2.325 -0.577) 2.570 20.258 ( 6.839 -0.101 7.104) 9.861 20.268 ( 4.156 -1.088 6.555) 7.838 20.564 ( 1.529 1.495 -0.256) 2.154 20.614 ( 0.965 -3.754 0.762) 3.950 20.953 ( 2.544 4.514 -2.096) 5.589 20.977 ( 1.641 1.843 -1.313) 2.795 21.162 ( 6.787 1.464 5.662) 8.959 21.237 ( 9.071 -5.443 -2.865) 10.960 22.330 ( -1.583 1.188 0.277) 1.999 22.356 ( -1.765 -1.643 0.234) 2.423 22.385 ( -2.153 0.463 -0.227) 2.214 22.394 ( -1.846 -0.544 -0.198) 1.935 =================== 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 3/31500 10.0 192.516 184.419 125.271 0.000 -10.908 0.000 3/31500 20.0 22.434 24.041 14.987 0.000 -1.137 0.000 3/31500 30.0 9.531 10.034 6.272 0.000 -0.440 0.000 3/31500 40.0 5.871 6.027 3.826 0.000 -0.248 0.000 3/31500 50.0 4.245 4.274 2.759 0.000 -0.166 0.000 3/31500 60.0 3.340 3.314 2.172 0.000 -0.123 0.000 3/31500 70.0 2.763 2.711 1.800 0.000 -0.097 0.000 3/31500 80.0 2.363 2.298 1.543 0.000 -0.079 0.000 3/31500 90.0 2.067 1.998 1.354 0.000 -0.067 0.000 3/31500 100.0 1.839 1.770 1.209 0.000 -0.059 0.000 3/31500 110.0 1.658 1.590 1.094 0.000 -0.052 0.000 3/31500 120.0 1.511 1.445 1.000 0.000 -0.047 0.000 3/31500 130.0 1.388 1.326 0.922 0.000 -0.043 0.000 3/31500 140.0 1.284 1.226 0.857 0.000 -0.040 0.000 3/31500 150.0 1.195 1.141 0.800 0.000 -0.037 0.000 3/31500 160.0 1.118 1.067 0.751 0.000 -0.034 0.000 3/31500 170.0 1.051 1.003 0.708 0.000 -0.032 0.000 3/31500 180.0 0.992 0.947 0.670 0.000 -0.031 0.000 3/31500 190.0 0.939 0.897 0.636 0.000 -0.029 0.000 3/31500 200.0 0.891 0.852 0.606 0.000 -0.028 0.000 3/31500 210.0 0.849 0.812 0.578 0.000 -0.026 0.000 3/31500 220.0 0.810 0.775 0.553 0.000 -0.025 0.000 3/31500 230.0 0.775 0.742 0.531 0.000 -0.024 0.000 3/31500 240.0 0.743 0.712 0.510 0.000 -0.023 0.000 3/31500 250.0 0.713 0.684 0.490 0.000 -0.023 0.000 3/31500 260.0 0.686 0.658 0.473 0.000 -0.022 0.000 3/31500 270.0 0.661 0.635 0.456 0.000 -0.021 0.000 3/31500 280.0 0.638 0.613 0.441 0.000 -0.020 0.000 3/31500 290.0 0.616 0.592 0.426 0.000 -0.020 0.000 3/31500 300.0 0.596 0.573 0.413 0.000 -0.019 0.000 3/31500 310.0 0.577 0.555 0.400 0.000 -0.019 0.000 3/31500 320.0 0.559 0.538 0.389 0.000 -0.018 0.000 3/31500 330.0 0.542 0.522 0.377 0.000 -0.017 0.000 3/31500 340.0 0.527 0.507 0.367 0.000 -0.017 0.000 3/31500 350.0 0.512 0.493 0.357 0.000 -0.017 0.000 3/31500 360.0 0.498 0.480 0.348 0.000 -0.016 0.000 3/31500 370.0 0.485 0.467 0.339 0.000 -0.016 0.000 3/31500 380.0 0.472 0.455 0.330 0.000 -0.015 0.000 3/31500 390.0 0.460 0.444 0.322 0.000 -0.015 0.000 3/31500 400.0 0.449 0.433 0.314 0.000 -0.015 0.000 3/31500 410.0 0.438 0.423 0.307 0.000 -0.014 0.000 3/31500 420.0 0.428 0.413 0.300 0.000 -0.014 0.000 3/31500 430.0 0.418 0.404 0.293 0.000 -0.014 0.000 3/31500 440.0 0.409 0.395 0.287 0.000 -0.013 0.000 3/31500 450.0 0.400 0.386 0.281 0.000 -0.013 0.000 3/31500 460.0 0.391 0.378 0.275 0.000 -0.013 0.000 3/31500 470.0 0.383 0.370 0.269 0.000 -0.013 0.000 3/31500 480.0 0.375 0.362 0.264 0.000 -0.012 0.000 3/31500 490.0 0.367 0.355 0.259 0.000 -0.012 0.000 3/31500 500.0 0.360 0.348 0.254 0.000 -0.012 0.000 3/31500 510.0 0.353 0.342 0.249 0.000 -0.012 0.000 3/31500 520.0 0.347 0.335 0.244 0.000 -0.011 0.000 3/31500 530.0 0.340 0.329 0.240 0.000 -0.011 0.000 3/31500 540.0 0.334 0.323 0.236 0.000 -0.011 0.000 3/31500 550.0 0.328 0.317 0.231 0.000 -0.011 0.000 3/31500 560.0 0.322 0.312 0.227 0.000 -0.011 0.000 3/31500 570.0 0.317 0.306 0.224 0.000 -0.010 0.000 3/31500 580.0 0.311 0.301 0.220 0.000 -0.010 0.000 3/31500 590.0 0.306 0.296 0.216 0.000 -0.010 0.000 3/31500 600.0 0.301 0.291 0.213 0.000 -0.010 0.000 3/31500 610.0 0.296 0.287 0.209 0.000 -0.010 0.000 3/31500 620.0 0.291 0.282 0.206 0.000 -0.010 0.000 3/31500 630.0 0.287 0.278 0.203 0.000 -0.009 0.000 3/31500 640.0 0.282 0.273 0.200 0.000 -0.009 0.000 3/31500 650.0 0.278 0.269 0.197 0.000 -0.009 0.000 3/31500 660.0 0.274 0.265 0.194 0.000 -0.009 0.000 3/31500 670.0 0.270 0.261 0.191 0.000 -0.009 0.000 3/31500 680.0 0.266 0.257 0.188 0.000 -0.009 0.000 3/31500 690.0 0.262 0.254 0.186 0.000 -0.009 0.000 3/31500 700.0 0.258 0.250 0.183 0.000 -0.009 0.000 3/31500 710.0 0.255 0.247 0.181 0.000 -0.008 0.000 3/31500 720.0 0.251 0.243 0.178 0.000 -0.008 0.000 3/31500 730.0 0.248 0.240 0.176 0.000 -0.008 0.000 3/31500 740.0 0.244 0.237 0.173 0.000 -0.008 0.000 3/31500 750.0 0.241 0.234 0.171 0.000 -0.008 0.000 3/31500 760.0 0.238 0.231 0.169 0.000 -0.008 0.000 3/31500 770.0 0.235 0.228 0.167 0.000 -0.008 0.000 3/31500 780.0 0.232 0.225 0.165 0.000 -0.008 0.000 3/31500 790.0 0.229 0.222 0.163 0.000 -0.008 0.000 3/31500 800.0 0.226 0.219 0.161 0.000 -0.008 0.000 3/31500 810.0 0.223 0.217 0.159 0.000 -0.007 0.000 3/31500 820.0 0.221 0.214 0.157 0.000 -0.007 0.000 3/31500 830.0 0.218 0.211 0.155 0.000 -0.007 0.000 3/31500 840.0 0.216 0.209 0.153 0.000 -0.007 0.000 3/31500 850.0 0.213 0.206 0.151 0.000 -0.007 0.000 3/31500 860.0 0.211 0.204 0.150 0.000 -0.007 0.000 3/31500 870.0 0.208 0.202 0.148 0.000 -0.007 0.000 3/31500 880.0 0.206 0.199 0.146 0.000 -0.007 0.000 3/31500 890.0 0.204 0.197 0.145 0.000 -0.007 0.000 3/31500 900.0 0.201 0.195 0.143 0.000 -0.007 0.000 3/31500 910.0 0.199 0.193 0.141 0.000 -0.007 0.000 3/31500 920.0 0.197 0.191 0.140 0.000 -0.007 0.000 3/31500 930.0 0.195 0.189 0.138 0.000 -0.006 0.000 3/31500 940.0 0.193 0.187 0.137 0.000 -0.006 0.000 3/31500 950.0 0.191 0.185 0.136 0.000 -0.006 0.000 3/31500 960.0 0.189 0.183 0.134 0.000 -0.006 0.000 3/31500 970.0 0.187 0.181 0.133 0.000 -0.006 0.000 3/31500 980.0 0.185 0.179 0.131 0.000 -0.006 0.000 3/31500 990.0 0.183 0.177 0.130 0.000 -0.006 0.000 3/31500 1000.0 0.181 0.176 0.129 0.000 -0.006 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:13:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|