----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:12:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877070590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.197389080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): *1 Ba 0.50709464767376 0.42108765535989 0.07864306951158 137.327 2 Ba 0.00709464767376 0.07891234464011 0.92135693048842 137.327 3 Ba 0.49290535232624 0.92108765535989 0.42135693048842 137.327 4 Ba 0.99290535232624 0.57891234464011 0.57864306951158 137.327 *5 La 0.51368425192691 0.25266237567102 0.70181255229040 138.905 6 La 0.01368425192691 0.24733762432898 0.29818744770960 138.905 7 La 0.48631574807309 0.75266237567102 0.79818744770960 138.905 8 La 0.98631574807309 0.74733762432898 0.20181255229040 138.905 *9 Ga 0.48635340466954 0.46609110052961 0.41697340530276 69.723 10 Ga 0.98635340466954 0.03390889947039 0.58302659469725 69.723 11 Ga 0.51364659533046 0.96609110052961 0.08302659469724 69.723 12 Ga 0.01364659533046 0.53390889947039 0.91697340530275 69.723 *13 O 0.50022249343180 0.60183741073547 0.57552000567931 15.999 14 O 0.00022249343180 0.89816258926453 0.42447999432069 15.999 15 O 0.49977750656820 0.10183741073546 0.92447999432069 15.999 16 O 0.99977750656820 0.39816258926454 0.07552000567931 15.999 *17 O 0.25844387193222 0.55586543616477 0.30260944054312 15.999 18 O 0.75844387193222 0.94413456383523 0.69739055945688 15.999 19 O 0.74155612806778 0.05586543616476 0.19739055945688 15.999 20 O 0.24155612806778 0.44413456383523 0.80260944054312 15.999 *21 O 0.33810582544400 0.25052696719516 0.46934088366878 15.999 22 O 0.83810582544400 0.24947303280484 0.53065911633122 15.999 23 O 0.66189417455600 0.75052696719516 0.03065911633122 15.999 24 O 0.16189417455600 0.74947303280484 0.96934088366878 15.999 *25 O 0.74567711825285 0.51289747363540 0.31745280571949 15.999 26 O 0.24567711825285 0.98710252636460 0.68254719428051 15.999 27 O 0.25432288174715 0.01289747363540 0.18254719428051 15.999 28 O 0.75432288174715 0.48710252636460 0.81745280571949 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.877070590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.197389080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): *1 Ba 0.50709464767376 0.42108765535989 0.07864306951158 137.327 > 1 2 Ba 0.00709464767376 0.07891234464011 0.92135693048842 137.327 > 2 3 Ba 0.49290535232624 0.92108765535989 0.42135693048842 137.327 > 3 4 Ba 0.99290535232624 0.57891234464011 0.57864306951158 137.327 > 4 *5 La 0.51368425192691 0.25266237567102 0.70181255229040 138.905 > 5 6 La 0.01368425192691 0.24733762432898 0.29818744770960 138.905 > 6 7 La 0.48631574807309 0.75266237567102 0.79818744770960 138.905 > 7 8 La 0.98631574807309 0.74733762432898 0.20181255229040 138.905 > 8 *9 Ga 0.48635340466954 0.46609110052961 0.41697340530276 69.723 > 9 10 Ga 0.98635340466954 0.03390889947039 0.58302659469725 69.723 > 10 11 Ga 0.51364659533046 0.96609110052961 0.08302659469724 69.723 > 11 12 Ga 0.01364659533046 0.53390889947039 0.91697340530275 69.723 > 12 *13 O 0.50022249343180 0.60183741073547 0.57552000567931 15.999 > 13 14 O 0.00022249343180 0.89816258926453 0.42447999432069 15.999 > 14 15 O 0.49977750656820 0.10183741073546 0.92447999432069 15.999 > 15 16 O 0.99977750656820 0.39816258926454 0.07552000567931 15.999 > 16 *17 O 0.25844387193222 0.55586543616477 0.30260944054312 15.999 > 17 18 O 0.75844387193222 0.94413456383523 0.69739055945688 15.999 > 18 19 O 0.74155612806778 0.05586543616476 0.19739055945688 15.999 > 19 20 O 0.24155612806778 0.44413456383523 0.80260944054312 15.999 > 20 *21 O 0.33810582544400 0.25052696719516 0.46934088366878 15.999 > 21 22 O 0.83810582544400 0.24947303280484 0.53065911633122 15.999 > 22 23 O 0.66189417455600 0.75052696719516 0.03065911633122 15.999 > 23 24 O 0.16189417455600 0.74947303280484 0.96934088366878 15.999 > 24 *25 O 0.74567711825285 0.51289747363540 0.31745280571949 15.999 > 25 26 O 0.24567711825285 0.98710252636460 0.68254719428051 15.999 > 26 27 O 0.25432288174715 0.01289747363540 0.18254719428051 15.999 > 27 28 O 0.75432288174715 0.48710252636460 0.81745280571949 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.754141180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.394778160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): *1 Ba 0.25354732383688 0.21054382767995 0.07864306951158 137.327 > 1 2 Ba 0.75354732383688 0.21054382767995 0.07864306951158 137.327 > 1 3 Ba 0.25354732383688 0.71054382767995 0.07864306951158 137.327 > 1 4 Ba 0.75354732383688 0.71054382767995 0.07864306951158 137.327 > 1 5 Ba 0.00354732383688 0.03945617232005 0.92135693048842 137.327 > 2 6 Ba 0.50354732383688 0.03945617232005 0.92135693048842 137.327 > 2 7 Ba 0.00354732383688 0.53945617232005 0.92135693048842 137.327 > 2 8 Ba 0.50354732383688 0.53945617232005 0.92135693048842 137.327 > 2 9 Ba 0.24645267616312 0.46054382767995 0.42135693048842 137.327 > 3 10 Ba 0.74645267616312 0.46054382767995 0.42135693048842 137.327 > 3 11 Ba 0.24645267616312 0.96054382767995 0.42135693048842 137.327 > 3 12 Ba 0.74645267616312 0.96054382767995 0.42135693048842 137.327 > 3 13 Ba 0.49645267616312 0.28945617232005 0.57864306951158 137.327 > 4 14 Ba 0.99645267616312 0.28945617232005 0.57864306951158 137.327 > 4 15 Ba 0.49645267616312 0.78945617232005 0.57864306951158 137.327 > 4 16 Ba 0.99645267616312 0.78945617232005 0.57864306951158 137.327 > 4 *17 La 0.25684212596346 0.12633118783551 0.70181255229040 138.905 > 5 18 La 0.75684212596346 0.12633118783551 0.70181255229040 138.905 > 5 19 La 0.25684212596346 0.62633118783551 0.70181255229040 138.905 > 5 20 La 0.75684212596346 0.62633118783551 0.70181255229040 138.905 > 5 21 La 0.00684212596346 0.12366881216449 0.29818744770960 138.905 > 6 22 La 0.50684212596346 0.12366881216449 0.29818744770960 138.905 > 6 23 La 0.00684212596346 0.62366881216449 0.29818744770960 138.905 > 6 24 La 0.50684212596346 0.62366881216449 0.29818744770960 138.905 > 6 25 La 0.24315787403654 0.37633118783551 0.79818744770960 138.905 > 7 26 La 0.74315787403654 0.37633118783551 0.79818744770960 138.905 > 7 27 La 0.24315787403654 0.87633118783551 0.79818744770960 138.905 > 7 28 La 0.74315787403654 0.87633118783551 0.79818744770960 138.905 > 7 29 La 0.49315787403654 0.37366881216449 0.20181255229040 138.905 > 8 30 La 0.99315787403654 0.37366881216449 0.20181255229040 138.905 > 8 31 La 0.49315787403654 0.87366881216449 0.20181255229040 138.905 > 8 32 La 0.99315787403654 0.87366881216449 0.20181255229040 138.905 > 8 *33 Ga 0.24317670233477 0.23304555026481 0.41697340530276 69.723 > 9 34 Ga 0.74317670233477 0.23304555026481 0.41697340530276 69.723 > 9 35 Ga 0.24317670233477 0.73304555026481 0.41697340530276 69.723 > 9 36 Ga 0.74317670233477 0.73304555026481 0.41697340530276 69.723 > 9 37 Ga 0.49317670233477 0.01695444973519 0.58302659469725 69.723 > 10 38 Ga 0.99317670233477 0.01695444973519 0.58302659469725 69.723 > 10 39 Ga 0.49317670233477 0.51695444973519 0.58302659469725 69.723 > 10 40 Ga 0.99317670233477 0.51695444973519 0.58302659469725 69.723 > 10 41 Ga 0.25682329766523 0.48304555026481 0.08302659469724 69.723 > 11 42 Ga 0.75682329766523 0.48304555026481 0.08302659469724 69.723 > 11 43 Ga 0.25682329766523 0.98304555026481 0.08302659469724 69.723 > 11 44 Ga 0.75682329766523 0.98304555026481 0.08302659469724 69.723 > 11 45 Ga 0.00682329766523 0.26695444973519 0.91697340530275 69.723 > 12 46 Ga 0.50682329766523 0.26695444973519 0.91697340530275 69.723 > 12 47 Ga 0.00682329766523 0.76695444973519 0.91697340530275 69.723 > 12 48 Ga 0.50682329766523 0.76695444973519 0.91697340530275 69.723 > 12 *49 O 0.25011124671590 0.30091870536773 0.57552000567931 15.999 > 13 50 O 0.75011124671590 0.30091870536773 0.57552000567931 15.999 > 13 51 O 0.25011124671590 0.80091870536773 0.57552000567931 15.999 > 13 52 O 0.75011124671590 0.80091870536773 0.57552000567931 15.999 > 13 53 O 0.00011124671590 0.44908129463227 0.42447999432069 15.999 > 14 54 O 0.50011124671590 0.44908129463227 0.42447999432069 15.999 > 14 55 O 0.00011124671590 0.94908129463227 0.42447999432069 15.999 > 14 56 O 0.50011124671590 0.94908129463227 0.42447999432069 15.999 > 14 57 O 0.24988875328410 0.05091870536773 0.92447999432069 15.999 > 15 58 O 0.74988875328410 0.05091870536773 0.92447999432069 15.999 > 15 59 O 0.24988875328410 0.55091870536773 0.92447999432069 15.999 > 15 60 O 0.74988875328410 0.55091870536773 0.92447999432069 15.999 > 15 61 O 0.49988875328410 0.19908129463227 0.07552000567931 15.999 > 16 62 O 0.99988875328410 0.19908129463227 0.07552000567931 15.999 > 16 63 O 0.49988875328410 0.69908129463227 0.07552000567931 15.999 > 16 64 O 0.99988875328410 0.69908129463227 0.07552000567931 15.999 > 16 *65 O 0.12922193596611 0.27793271808238 0.30260944054312 15.999 > 17 66 O 0.62922193596611 0.27793271808238 0.30260944054312 15.999 > 17 67 O 0.12922193596611 0.77793271808238 0.30260944054312 15.999 > 17 68 O 0.62922193596611 0.77793271808238 0.30260944054312 15.999 > 17 69 O 0.37922193596611 0.47206728191762 0.69739055945688 15.999 > 18 70 O 0.87922193596611 0.47206728191762 0.69739055945688 15.999 > 18 71 O 0.37922193596611 0.97206728191762 0.69739055945688 15.999 > 18 72 O 0.87922193596611 0.97206728191762 0.69739055945688 15.999 > 18 73 O 0.37077806403389 0.02793271808238 0.19739055945688 15.999 > 19 74 O 0.87077806403389 0.02793271808238 0.19739055945688 15.999 > 19 75 O 0.37077806403389 0.52793271808238 0.19739055945688 15.999 > 19 76 O 0.87077806403389 0.52793271808238 0.19739055945688 15.999 > 19 77 O 0.12077806403389 0.22206728191762 0.80260944054312 15.999 > 20 78 O 0.62077806403389 0.22206728191762 0.80260944054312 15.999 > 20 79 O 0.12077806403389 0.72206728191762 0.80260944054312 15.999 > 20 80 O 0.62077806403389 0.72206728191762 0.80260944054312 15.999 > 20 *81 O 0.16905291272200 0.12526348359758 0.46934088366878 15.999 > 21 82 O 0.66905291272200 0.12526348359758 0.46934088366878 15.999 > 21 83 O 0.16905291272200 0.62526348359758 0.46934088366878 15.999 > 21 84 O 0.66905291272200 0.62526348359758 0.46934088366878 15.999 > 21 85 O 0.41905291272200 0.12473651640242 0.53065911633122 15.999 > 22 86 O 0.91905291272200 0.12473651640242 0.53065911633122 15.999 > 22 87 O 0.41905291272200 0.62473651640242 0.53065911633122 15.999 > 22 88 O 0.91905291272200 0.62473651640242 0.53065911633122 15.999 > 22 89 O 0.33094708727800 0.37526348359758 0.03065911633122 15.999 > 23 90 O 0.83094708727800 0.37526348359758 0.03065911633122 15.999 > 23 91 O 0.33094708727800 0.87526348359758 0.03065911633122 15.999 > 23 92 O 0.83094708727800 0.87526348359758 0.03065911633122 15.999 > 23 93 O 0.08094708727800 0.37473651640242 0.96934088366878 15.999 > 24 94 O 0.58094708727800 0.37473651640242 0.96934088366878 15.999 > 24 95 O 0.08094708727800 0.87473651640242 0.96934088366878 15.999 > 24 96 O 0.58094708727800 0.87473651640242 0.96934088366878 15.999 > 24 *97 O 0.37283855912642 0.25644873681770 0.31745280571949 15.999 > 25 98 O 0.87283855912642 0.25644873681770 0.31745280571949 15.999 > 25 99 O 0.37283855912642 0.75644873681770 0.31745280571949 15.999 > 25 100 O 0.87283855912642 0.75644873681770 0.31745280571949 15.999 > 25 101 O 0.12283855912642 0.49355126318230 0.68254719428051 15.999 > 26 102 O 0.62283855912642 0.49355126318230 0.68254719428051 15.999 > 26 103 O 0.12283855912642 0.99355126318230 0.68254719428051 15.999 > 26 104 O 0.62283855912642 0.99355126318230 0.68254719428051 15.999 > 26 105 O 0.12716144087358 0.00644873681770 0.18254719428051 15.999 > 27 106 O 0.62716144087358 0.00644873681770 0.18254719428051 15.999 > 27 107 O 0.12716144087358 0.50644873681770 0.18254719428051 15.999 > 27 108 O 0.62716144087358 0.50644873681770 0.18254719428051 15.999 > 27 109 O 0.37716144087358 0.24355126318230 0.81745280571949 15.999 > 28 110 O 0.87716144087358 0.24355126318230 0.81745280571949 15.999 > 28 111 O 0.37716144087358 0.74355126318230 0.81745280571949 15.999 > 28 112 O 0.87716144087358 0.74355126318230 0.81745280571949 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3388626 0.0000000 0.0000000 0.0000000 4.4235526 0.0000000 0.0000000 0.0000000 4.3897981 -------------------------- Born effective charges -------------------------- 1 Ba 2.7492940 0.0576984 -0.0117186 0.1159058 2.8400460 0.1291173 0.0223181 0.1472756 2.6056104 2 Ba 2.7492940 -0.0576984 0.0117186 -0.1159058 2.8400460 0.1291173 -0.0223181 0.1472756 2.6056104 3 Ba 2.7492940 -0.0576984 -0.0117186 -0.1159058 2.8400460 -0.1291173 0.0223181 -0.1472756 2.6056104 4 Ba 2.7492940 0.0576984 0.0117186 0.1159058 2.8400460 -0.1291173 -0.0223181 -0.1472756 2.6056104 5 La 4.0035648 0.0422705 -0.1538308 -0.1185950 4.5566061 0.0941052 -0.2318482 0.1941675 4.5768676 6 La 4.0035648 -0.0422705 0.1538308 0.1185950 4.5566061 0.0941052 0.2318482 0.1941675 4.5768676 7 La 4.0035648 -0.0422705 -0.1538308 0.1185950 4.5566061 -0.0941052 -0.2318482 -0.1941675 4.5768676 8 La 4.0035648 0.0422705 0.1538308 -0.1185950 4.5566061 -0.0941052 0.2318482 -0.1941675 4.5768676 9 Ga 2.9645085 0.0874126 0.0454858 0.0719572 2.4419482 -0.1852997 0.0414586 -0.1467456 2.7552043 10 Ga 2.9645085 -0.0874126 -0.0454858 -0.0719572 2.4419482 -0.1852997 -0.0414586 -0.1467456 2.7552043 11 Ga 2.9645085 -0.0874126 0.0454858 -0.0719572 2.4419482 0.1852997 0.0414586 0.1467456 2.7552043 12 Ga 2.9645085 0.0874126 -0.0454858 0.0719572 2.4419482 0.1852997 -0.0414586 0.1467456 2.7552043 13 O -1.9873940 -0.0184872 -0.0753681 0.0120093 -2.4438604 -0.3886505 -0.0034889 -0.3319345 -2.8933540 14 O -1.9873940 0.0184872 0.0753681 -0.0120093 -2.4438604 -0.3886505 0.0034889 -0.3319345 -2.8933540 15 O -1.9873940 0.0184872 -0.0753681 -0.0120093 -2.4438604 0.3886505 -0.0034889 0.3319345 -2.8933540 16 O -1.9873940 -0.0184872 0.0753681 0.0120093 -2.4438604 0.3886505 0.0034889 0.3319345 -2.8933540 17 O -2.6960654 0.3964818 -0.4816409 0.3752405 -2.4810472 0.3827454 -0.5251728 0.3194839 -2.3193762 18 O -2.6960654 -0.3964818 0.4816409 -0.3752405 -2.4810472 0.3827454 0.5251728 0.3194839 -2.3193762 19 O -2.6960654 -0.3964818 -0.4816409 -0.3752405 -2.4810472 -0.3827454 -0.5251728 -0.3194839 -2.3193762 20 O -2.6960654 0.3964818 0.4816409 0.3752405 -2.4810472 -0.3827454 0.5251728 -0.3194839 -2.3193762 21 O -2.2718436 -0.0700002 -0.4979113 -0.1983125 -2.5646236 0.0940607 -0.5051548 0.0647939 -2.4407414 22 O -2.2718436 0.0700002 0.4979113 0.1983125 -2.5646236 0.0940607 0.5051548 0.0647939 -2.4407414 23 O -2.2718436 0.0700002 -0.4979113 0.1983125 -2.5646236 -0.0940607 -0.5051548 -0.0647939 -2.4407414 24 O -2.2718436 -0.0700002 0.4979113 -0.1983125 -2.5646236 -0.0940607 0.5051548 -0.0647939 -2.4407414 25 O -2.7620644 -0.1185750 0.4250793 0.0686443 -2.3490692 0.1795320 0.3917901 0.1577453 -2.2842107 26 O -2.7620644 0.1185750 -0.4250793 -0.0686443 -2.3490692 0.1795320 -0.3917901 0.1577453 -2.2842107 27 O -2.7620644 0.1185750 0.4250793 -0.0686443 -2.3490692 -0.1795320 0.3917901 -0.1577453 -2.2842107 28 O -2.7620644 -0.1185750 -0.4250793 0.0686443 -2.3490692 -0.1795320 -0.3917901 -0.1577453 -2.2842107 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.067 Solver_block: 200 / 880 - Time: 0.904 Solver_block: 300 / 880 - Time: 0.874 Solver_block: 400 / 880 - Time: 0.894 Solver_block: 500 / 880 - Time: 0.910 Solver_block: 600 / 880 - Time: 0.952 Solver_block: 700 / 880 - Time: 0.830 Solver_block: 800 / 880 - Time: 0.860 Solver_block: 880 / 880 - Time: 0.872 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.686 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:13:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:13:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877070590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.197389080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): 1 Ba 0.50709464767376 0.42108765535989 0.07864306951158 137.327 2 Ba 0.00709464767376 0.07891234464011 0.92135693048842 137.327 3 Ba 0.49290535232624 0.92108765535989 0.42135693048842 137.327 4 Ba 0.99290535232624 0.57891234464011 0.57864306951158 137.327 5 La 0.51368425192691 0.25266237567102 0.70181255229040 138.905 6 La 0.01368425192691 0.24733762432898 0.29818744770960 138.905 7 La 0.48631574807309 0.75266237567102 0.79818744770960 138.905 8 La 0.98631574807309 0.74733762432898 0.20181255229040 138.905 9 Ga 0.48635340466954 0.46609110052961 0.41697340530276 69.723 10 Ga 0.98635340466954 0.03390889947039 0.58302659469725 69.723 11 Ga 0.51364659533046 0.96609110052961 0.08302659469724 69.723 12 Ga 0.01364659533046 0.53390889947039 0.91697340530275 69.723 13 O 0.50022249343180 0.60183741073547 0.57552000567931 15.999 14 O 0.00022249343180 0.89816258926453 0.42447999432069 15.999 15 O 0.49977750656820 0.10183741073546 0.92447999432069 15.999 16 O 0.99977750656820 0.39816258926454 0.07552000567931 15.999 17 O 0.25844387193222 0.55586543616477 0.30260944054312 15.999 18 O 0.75844387193222 0.94413456383523 0.69739055945688 15.999 19 O 0.74155612806778 0.05586543616476 0.19739055945688 15.999 20 O 0.24155612806778 0.44413456383523 0.80260944054312 15.999 21 O 0.33810582544400 0.25052696719516 0.46934088366878 15.999 22 O 0.83810582544400 0.24947303280484 0.53065911633122 15.999 23 O 0.66189417455600 0.75052696719516 0.03065911633122 15.999 24 O 0.16189417455600 0.74947303280484 0.96934088366878 15.999 25 O 0.74567711825285 0.51289747363540 0.31745280571949 15.999 26 O 0.24567711825285 0.98710252636460 0.68254719428051 15.999 27 O 0.25432288174715 0.01289747363540 0.18254719428051 15.999 28 O 0.75432288174715 0.48710252636460 0.81745280571949 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.754141180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.394778160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): 1 Ba 0.25354732383688 0.21054382767995 0.07864306951158 137.327 > 1 2 Ba 0.75354732383688 0.21054382767995 0.07864306951158 137.327 > 1 3 Ba 0.25354732383688 0.71054382767995 0.07864306951158 137.327 > 1 4 Ba 0.75354732383688 0.71054382767995 0.07864306951158 137.327 > 1 5 Ba 0.00354732383688 0.03945617232005 0.92135693048842 137.327 > 5 6 Ba 0.50354732383688 0.03945617232005 0.92135693048842 137.327 > 5 7 Ba 0.00354732383688 0.53945617232005 0.92135693048842 137.327 > 5 8 Ba 0.50354732383688 0.53945617232005 0.92135693048842 137.327 > 5 9 Ba 0.24645267616312 0.46054382767995 0.42135693048842 137.327 > 9 10 Ba 0.74645267616312 0.46054382767995 0.42135693048842 137.327 > 9 11 Ba 0.24645267616312 0.96054382767995 0.42135693048842 137.327 > 9 12 Ba 0.74645267616312 0.96054382767995 0.42135693048842 137.327 > 9 13 Ba 0.49645267616312 0.28945617232005 0.57864306951158 137.327 > 13 14 Ba 0.99645267616312 0.28945617232005 0.57864306951158 137.327 > 13 15 Ba 0.49645267616312 0.78945617232005 0.57864306951158 137.327 > 13 16 Ba 0.99645267616312 0.78945617232005 0.57864306951158 137.327 > 13 17 La 0.25684212596346 0.12633118783551 0.70181255229040 138.905 > 17 18 La 0.75684212596346 0.12633118783551 0.70181255229040 138.905 > 17 19 La 0.25684212596346 0.62633118783551 0.70181255229040 138.905 > 17 20 La 0.75684212596346 0.62633118783551 0.70181255229040 138.905 > 17 21 La 0.00684212596346 0.12366881216449 0.29818744770960 138.905 > 21 22 La 0.50684212596346 0.12366881216449 0.29818744770960 138.905 > 21 23 La 0.00684212596346 0.62366881216449 0.29818744770960 138.905 > 21 24 La 0.50684212596346 0.62366881216449 0.29818744770960 138.905 > 21 25 La 0.24315787403654 0.37633118783551 0.79818744770960 138.905 > 25 26 La 0.74315787403654 0.37633118783551 0.79818744770960 138.905 > 25 27 La 0.24315787403654 0.87633118783551 0.79818744770960 138.905 > 25 28 La 0.74315787403654 0.87633118783551 0.79818744770960 138.905 > 25 29 La 0.49315787403654 0.37366881216449 0.20181255229040 138.905 > 29 30 La 0.99315787403654 0.37366881216449 0.20181255229040 138.905 > 29 31 La 0.49315787403654 0.87366881216449 0.20181255229040 138.905 > 29 32 La 0.99315787403654 0.87366881216449 0.20181255229040 138.905 > 29 33 Ga 0.24317670233477 0.23304555026481 0.41697340530276 69.723 > 33 34 Ga 0.74317670233477 0.23304555026481 0.41697340530276 69.723 > 33 35 Ga 0.24317670233477 0.73304555026481 0.41697340530276 69.723 > 33 36 Ga 0.74317670233477 0.73304555026481 0.41697340530276 69.723 > 33 37 Ga 0.49317670233477 0.01695444973519 0.58302659469725 69.723 > 37 38 Ga 0.99317670233477 0.01695444973519 0.58302659469725 69.723 > 37 39 Ga 0.49317670233477 0.51695444973519 0.58302659469725 69.723 > 37 40 Ga 0.99317670233477 0.51695444973519 0.58302659469725 69.723 > 37 41 Ga 0.25682329766523 0.48304555026481 0.08302659469724 69.723 > 41 42 Ga 0.75682329766523 0.48304555026481 0.08302659469724 69.723 > 41 43 Ga 0.25682329766523 0.98304555026481 0.08302659469724 69.723 > 41 44 Ga 0.75682329766523 0.98304555026481 0.08302659469724 69.723 > 41 45 Ga 0.00682329766523 0.26695444973519 0.91697340530275 69.723 > 45 46 Ga 0.50682329766523 0.26695444973519 0.91697340530275 69.723 > 45 47 Ga 0.00682329766523 0.76695444973519 0.91697340530275 69.723 > 45 48 Ga 0.50682329766523 0.76695444973519 0.91697340530275 69.723 > 45 49 O 0.25011124671590 0.30091870536773 0.57552000567931 15.999 > 49 50 O 0.75011124671590 0.30091870536773 0.57552000567931 15.999 > 49 51 O 0.25011124671590 0.80091870536773 0.57552000567931 15.999 > 49 52 O 0.75011124671590 0.80091870536773 0.57552000567931 15.999 > 49 53 O 0.00011124671590 0.44908129463227 0.42447999432069 15.999 > 53 54 O 0.50011124671590 0.44908129463227 0.42447999432069 15.999 > 53 55 O 0.00011124671590 0.94908129463227 0.42447999432069 15.999 > 53 56 O 0.50011124671590 0.94908129463227 0.42447999432069 15.999 > 53 57 O 0.24988875328410 0.05091870536773 0.92447999432069 15.999 > 57 58 O 0.74988875328410 0.05091870536773 0.92447999432069 15.999 > 57 59 O 0.24988875328410 0.55091870536773 0.92447999432069 15.999 > 57 60 O 0.74988875328410 0.55091870536773 0.92447999432069 15.999 > 57 61 O 0.49988875328410 0.19908129463227 0.07552000567931 15.999 > 61 62 O 0.99988875328410 0.19908129463227 0.07552000567931 15.999 > 61 63 O 0.49988875328410 0.69908129463227 0.07552000567931 15.999 > 61 64 O 0.99988875328410 0.69908129463227 0.07552000567931 15.999 > 61 65 O 0.12922193596611 0.27793271808238 0.30260944054312 15.999 > 65 66 O 0.62922193596611 0.27793271808238 0.30260944054312 15.999 > 65 67 O 0.12922193596611 0.77793271808238 0.30260944054312 15.999 > 65 68 O 0.62922193596611 0.77793271808238 0.30260944054312 15.999 > 65 69 O 0.37922193596611 0.47206728191762 0.69739055945688 15.999 > 69 70 O 0.87922193596611 0.47206728191762 0.69739055945688 15.999 > 69 71 O 0.37922193596611 0.97206728191762 0.69739055945688 15.999 > 69 72 O 0.87922193596611 0.97206728191762 0.69739055945688 15.999 > 69 73 O 0.37077806403389 0.02793271808238 0.19739055945688 15.999 > 73 74 O 0.87077806403389 0.02793271808238 0.19739055945688 15.999 > 73 75 O 0.37077806403389 0.52793271808238 0.19739055945688 15.999 > 73 76 O 0.87077806403389 0.52793271808238 0.19739055945688 15.999 > 73 77 O 0.12077806403389 0.22206728191762 0.80260944054312 15.999 > 77 78 O 0.62077806403389 0.22206728191762 0.80260944054312 15.999 > 77 79 O 0.12077806403389 0.72206728191762 0.80260944054312 15.999 > 77 80 O 0.62077806403389 0.72206728191762 0.80260944054312 15.999 > 77 81 O 0.16905291272200 0.12526348359758 0.46934088366878 15.999 > 81 82 O 0.66905291272200 0.12526348359758 0.46934088366878 15.999 > 81 83 O 0.16905291272200 0.62526348359758 0.46934088366878 15.999 > 81 84 O 0.66905291272200 0.62526348359758 0.46934088366878 15.999 > 81 85 O 0.41905291272200 0.12473651640242 0.53065911633122 15.999 > 85 86 O 0.91905291272200 0.12473651640242 0.53065911633122 15.999 > 85 87 O 0.41905291272200 0.62473651640242 0.53065911633122 15.999 > 85 88 O 0.91905291272200 0.62473651640242 0.53065911633122 15.999 > 85 89 O 0.33094708727800 0.37526348359758 0.03065911633122 15.999 > 89 90 O 0.83094708727800 0.37526348359758 0.03065911633122 15.999 > 89 91 O 0.33094708727800 0.87526348359758 0.03065911633122 15.999 > 89 92 O 0.83094708727800 0.87526348359758 0.03065911633122 15.999 > 89 93 O 0.08094708727800 0.37473651640242 0.96934088366878 15.999 > 93 94 O 0.58094708727800 0.37473651640242 0.96934088366878 15.999 > 93 95 O 0.08094708727800 0.87473651640242 0.96934088366878 15.999 > 93 96 O 0.58094708727800 0.87473651640242 0.96934088366878 15.999 > 93 97 O 0.37283855912642 0.25644873681770 0.31745280571949 15.999 > 97 98 O 0.87283855912642 0.25644873681770 0.31745280571949 15.999 > 97 99 O 0.37283855912642 0.75644873681770 0.31745280571949 15.999 > 97 100 O 0.87283855912642 0.75644873681770 0.31745280571949 15.999 > 97 101 O 0.12283855912642 0.49355126318230 0.68254719428051 15.999 > 101 102 O 0.62283855912642 0.49355126318230 0.68254719428051 15.999 > 101 103 O 0.12283855912642 0.99355126318230 0.68254719428051 15.999 > 101 104 O 0.62283855912642 0.99355126318230 0.68254719428051 15.999 > 101 105 O 0.12716144087358 0.00644873681770 0.18254719428051 15.999 > 105 106 O 0.62716144087358 0.00644873681770 0.18254719428051 15.999 > 105 107 O 0.12716144087358 0.50644873681770 0.18254719428051 15.999 > 105 108 O 0.62716144087358 0.50644873681770 0.18254719428051 15.999 > 105 109 O 0.37716144087358 0.24355126318230 0.81745280571949 15.999 > 109 110 O 0.87716144087358 0.24355126318230 0.81745280571949 15.999 > 109 111 O 0.37716144087358 0.74355126318230 0.81745280571949 15.999 > 109 112 O 0.87716144087358 0.74355126318230 0.81745280571949 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3388626 0.0000000 0.0000000 0.0000000 4.4235526 0.0000000 0.0000000 0.0000000 4.3897981 -------------------------- Born effective charges -------------------------- 1 Ba 2.7492940 0.0576984 -0.0117186 0.1159058 2.8400460 0.1291173 0.0223181 0.1472756 2.6056104 2 Ba 2.7492940 -0.0576984 0.0117186 -0.1159058 2.8400460 0.1291173 -0.0223181 0.1472756 2.6056104 3 Ba 2.7492940 -0.0576984 -0.0117186 -0.1159058 2.8400460 -0.1291173 0.0223181 -0.1472756 2.6056104 4 Ba 2.7492940 0.0576984 0.0117186 0.1159058 2.8400460 -0.1291173 -0.0223181 -0.1472756 2.6056104 5 La 4.0035648 0.0422705 -0.1538308 -0.1185950 4.5566061 0.0941052 -0.2318482 0.1941675 4.5768676 6 La 4.0035648 -0.0422705 0.1538308 0.1185950 4.5566061 0.0941052 0.2318482 0.1941675 4.5768676 7 La 4.0035648 -0.0422705 -0.1538308 0.1185950 4.5566061 -0.0941052 -0.2318482 -0.1941675 4.5768676 8 La 4.0035648 0.0422705 0.1538308 -0.1185950 4.5566061 -0.0941052 0.2318482 -0.1941675 4.5768676 9 Ga 2.9645085 0.0874126 0.0454858 0.0719572 2.4419482 -0.1852997 0.0414586 -0.1467456 2.7552043 10 Ga 2.9645085 -0.0874126 -0.0454858 -0.0719572 2.4419482 -0.1852997 -0.0414586 -0.1467456 2.7552043 11 Ga 2.9645085 -0.0874126 0.0454858 -0.0719572 2.4419482 0.1852997 0.0414586 0.1467456 2.7552043 12 Ga 2.9645085 0.0874126 -0.0454858 0.0719572 2.4419482 0.1852997 -0.0414586 0.1467456 2.7552043 13 O -1.9873940 -0.0184872 -0.0753681 0.0120093 -2.4438604 -0.3886505 -0.0034889 -0.3319345 -2.8933540 14 O -1.9873940 0.0184872 0.0753681 -0.0120093 -2.4438604 -0.3886505 0.0034889 -0.3319345 -2.8933540 15 O -1.9873940 0.0184872 -0.0753681 -0.0120093 -2.4438604 0.3886505 -0.0034889 0.3319345 -2.8933540 16 O -1.9873940 -0.0184872 0.0753681 0.0120093 -2.4438604 0.3886505 0.0034889 0.3319345 -2.8933540 17 O -2.6960654 0.3964818 -0.4816409 0.3752405 -2.4810472 0.3827454 -0.5251728 0.3194839 -2.3193762 18 O -2.6960654 -0.3964818 0.4816409 -0.3752405 -2.4810472 0.3827454 0.5251728 0.3194839 -2.3193762 19 O -2.6960654 -0.3964818 -0.4816409 -0.3752405 -2.4810472 -0.3827454 -0.5251728 -0.3194839 -2.3193762 20 O -2.6960654 0.3964818 0.4816409 0.3752405 -2.4810472 -0.3827454 0.5251728 -0.3194839 -2.3193762 21 O -2.2718436 -0.0700002 -0.4979113 -0.1983125 -2.5646236 0.0940607 -0.5051548 0.0647939 -2.4407414 22 O -2.2718436 0.0700002 0.4979113 0.1983125 -2.5646236 0.0940607 0.5051548 0.0647939 -2.4407414 23 O -2.2718436 0.0700002 -0.4979113 0.1983125 -2.5646236 -0.0940607 -0.5051548 -0.0647939 -2.4407414 24 O -2.2718436 -0.0700002 0.4979113 -0.1983125 -2.5646236 -0.0940607 0.5051548 -0.0647939 -2.4407414 25 O -2.7620644 -0.1185750 0.4250793 0.0686443 -2.3490692 0.1795320 0.3917901 0.1577453 -2.2842107 26 O -2.7620644 0.1185750 -0.4250793 -0.0686443 -2.3490692 0.1795320 -0.3917901 0.1577453 -2.2842107 27 O -2.7620644 0.1185750 0.4250793 -0.0686443 -2.3490692 -0.1795320 0.3917901 -0.1577453 -2.2842107 28 O -2.7620644 -0.1185750 -0.4250793 0.0686443 -2.3490692 -0.1795320 -0.3917901 -0.1577453 -2.2842107 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 10:13:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:13:35]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877070590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.197389080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): 1 Ba 0.50709464767376 0.42108765535989 0.07864306951158 137.327 2 Ba 0.00709464767376 0.07891234464011 0.92135693048842 137.327 3 Ba 0.49290535232624 0.92108765535989 0.42135693048842 137.327 4 Ba 0.99290535232624 0.57891234464011 0.57864306951158 137.327 5 La 0.51368425192691 0.25266237567102 0.70181255229040 138.905 6 La 0.01368425192691 0.24733762432898 0.29818744770960 138.905 7 La 0.48631574807309 0.75266237567102 0.79818744770960 138.905 8 La 0.98631574807309 0.74733762432898 0.20181255229040 138.905 9 Ga 0.48635340466954 0.46609110052961 0.41697340530276 69.723 10 Ga 0.98635340466954 0.03390889947039 0.58302659469725 69.723 11 Ga 0.51364659533046 0.96609110052961 0.08302659469724 69.723 12 Ga 0.01364659533046 0.53390889947039 0.91697340530275 69.723 13 O 0.50022249343180 0.60183741073547 0.57552000567931 15.999 14 O 0.00022249343180 0.89816258926453 0.42447999432069 15.999 15 O 0.49977750656820 0.10183741073546 0.92447999432069 15.999 16 O 0.99977750656820 0.39816258926454 0.07552000567931 15.999 17 O 0.25844387193222 0.55586543616477 0.30260944054312 15.999 18 O 0.75844387193222 0.94413456383523 0.69739055945688 15.999 19 O 0.74155612806778 0.05586543616476 0.19739055945688 15.999 20 O 0.24155612806778 0.44413456383523 0.80260944054312 15.999 21 O 0.33810582544400 0.25052696719516 0.46934088366878 15.999 22 O 0.83810582544400 0.24947303280484 0.53065911633122 15.999 23 O 0.66189417455600 0.75052696719516 0.03065911633122 15.999 24 O 0.16189417455600 0.74947303280484 0.96934088366878 15.999 25 O 0.74567711825285 0.51289747363540 0.31745280571949 15.999 26 O 0.24567711825285 0.98710252636460 0.68254719428051 15.999 27 O 0.25432288174715 0.01289747363540 0.18254719428051 15.999 28 O 0.75432288174715 0.48710252636460 0.81745280571949 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.754141180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.394778160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.978265390000001 Atomic positions (fractional): 1 Ba 0.25354732383688 0.21054382767995 0.07864306951158 137.327 > 1 2 Ba 0.75354732383688 0.21054382767995 0.07864306951158 137.327 > 1 3 Ba 0.25354732383688 0.71054382767995 0.07864306951158 137.327 > 1 4 Ba 0.75354732383688 0.71054382767995 0.07864306951158 137.327 > 1 5 Ba 0.00354732383688 0.03945617232005 0.92135693048842 137.327 > 5 6 Ba 0.50354732383688 0.03945617232005 0.92135693048842 137.327 > 5 7 Ba 0.00354732383688 0.53945617232005 0.92135693048842 137.327 > 5 8 Ba 0.50354732383688 0.53945617232005 0.92135693048842 137.327 > 5 9 Ba 0.24645267616312 0.46054382767995 0.42135693048842 137.327 > 9 10 Ba 0.74645267616312 0.46054382767995 0.42135693048842 137.327 > 9 11 Ba 0.24645267616312 0.96054382767995 0.42135693048842 137.327 > 9 12 Ba 0.74645267616312 0.96054382767995 0.42135693048842 137.327 > 9 13 Ba 0.49645267616312 0.28945617232005 0.57864306951158 137.327 > 13 14 Ba 0.99645267616312 0.28945617232005 0.57864306951158 137.327 > 13 15 Ba 0.49645267616312 0.78945617232005 0.57864306951158 137.327 > 13 16 Ba 0.99645267616312 0.78945617232005 0.57864306951158 137.327 > 13 17 La 0.25684212596346 0.12633118783551 0.70181255229040 138.905 > 17 18 La 0.75684212596346 0.12633118783551 0.70181255229040 138.905 > 17 19 La 0.25684212596346 0.62633118783551 0.70181255229040 138.905 > 17 20 La 0.75684212596346 0.62633118783551 0.70181255229040 138.905 > 17 21 La 0.00684212596346 0.12366881216449 0.29818744770960 138.905 > 21 22 La 0.50684212596346 0.12366881216449 0.29818744770960 138.905 > 21 23 La 0.00684212596346 0.62366881216449 0.29818744770960 138.905 > 21 24 La 0.50684212596346 0.62366881216449 0.29818744770960 138.905 > 21 25 La 0.24315787403654 0.37633118783551 0.79818744770960 138.905 > 25 26 La 0.74315787403654 0.37633118783551 0.79818744770960 138.905 > 25 27 La 0.24315787403654 0.87633118783551 0.79818744770960 138.905 > 25 28 La 0.74315787403654 0.87633118783551 0.79818744770960 138.905 > 25 29 La 0.49315787403654 0.37366881216449 0.20181255229040 138.905 > 29 30 La 0.99315787403654 0.37366881216449 0.20181255229040 138.905 > 29 31 La 0.49315787403654 0.87366881216449 0.20181255229040 138.905 > 29 32 La 0.99315787403654 0.87366881216449 0.20181255229040 138.905 > 29 33 Ga 0.24317670233477 0.23304555026481 0.41697340530276 69.723 > 33 34 Ga 0.74317670233477 0.23304555026481 0.41697340530276 69.723 > 33 35 Ga 0.24317670233477 0.73304555026481 0.41697340530276 69.723 > 33 36 Ga 0.74317670233477 0.73304555026481 0.41697340530276 69.723 > 33 37 Ga 0.49317670233477 0.01695444973519 0.58302659469725 69.723 > 37 38 Ga 0.99317670233477 0.01695444973519 0.58302659469725 69.723 > 37 39 Ga 0.49317670233477 0.51695444973519 0.58302659469725 69.723 > 37 40 Ga 0.99317670233477 0.51695444973519 0.58302659469725 69.723 > 37 41 Ga 0.25682329766523 0.48304555026481 0.08302659469724 69.723 > 41 42 Ga 0.75682329766523 0.48304555026481 0.08302659469724 69.723 > 41 43 Ga 0.25682329766523 0.98304555026481 0.08302659469724 69.723 > 41 44 Ga 0.75682329766523 0.98304555026481 0.08302659469724 69.723 > 41 45 Ga 0.00682329766523 0.26695444973519 0.91697340530275 69.723 > 45 46 Ga 0.50682329766523 0.26695444973519 0.91697340530275 69.723 > 45 47 Ga 0.00682329766523 0.76695444973519 0.91697340530275 69.723 > 45 48 Ga 0.50682329766523 0.76695444973519 0.91697340530275 69.723 > 45 49 O 0.25011124671590 0.30091870536773 0.57552000567931 15.999 > 49 50 O 0.75011124671590 0.30091870536773 0.57552000567931 15.999 > 49 51 O 0.25011124671590 0.80091870536773 0.57552000567931 15.999 > 49 52 O 0.75011124671590 0.80091870536773 0.57552000567931 15.999 > 49 53 O 0.00011124671590 0.44908129463227 0.42447999432069 15.999 > 53 54 O 0.50011124671590 0.44908129463227 0.42447999432069 15.999 > 53 55 O 0.00011124671590 0.94908129463227 0.42447999432069 15.999 > 53 56 O 0.50011124671590 0.94908129463227 0.42447999432069 15.999 > 53 57 O 0.24988875328410 0.05091870536773 0.92447999432069 15.999 > 57 58 O 0.74988875328410 0.05091870536773 0.92447999432069 15.999 > 57 59 O 0.24988875328410 0.55091870536773 0.92447999432069 15.999 > 57 60 O 0.74988875328410 0.55091870536773 0.92447999432069 15.999 > 57 61 O 0.49988875328410 0.19908129463227 0.07552000567931 15.999 > 61 62 O 0.99988875328410 0.19908129463227 0.07552000567931 15.999 > 61 63 O 0.49988875328410 0.69908129463227 0.07552000567931 15.999 > 61 64 O 0.99988875328410 0.69908129463227 0.07552000567931 15.999 > 61 65 O 0.12922193596611 0.27793271808238 0.30260944054312 15.999 > 65 66 O 0.62922193596611 0.27793271808238 0.30260944054312 15.999 > 65 67 O 0.12922193596611 0.77793271808238 0.30260944054312 15.999 > 65 68 O 0.62922193596611 0.77793271808238 0.30260944054312 15.999 > 65 69 O 0.37922193596611 0.47206728191762 0.69739055945688 15.999 > 69 70 O 0.87922193596611 0.47206728191762 0.69739055945688 15.999 > 69 71 O 0.37922193596611 0.97206728191762 0.69739055945688 15.999 > 69 72 O 0.87922193596611 0.97206728191762 0.69739055945688 15.999 > 69 73 O 0.37077806403389 0.02793271808238 0.19739055945688 15.999 > 73 74 O 0.87077806403389 0.02793271808238 0.19739055945688 15.999 > 73 75 O 0.37077806403389 0.52793271808238 0.19739055945688 15.999 > 73 76 O 0.87077806403389 0.52793271808238 0.19739055945688 15.999 > 73 77 O 0.12077806403389 0.22206728191762 0.80260944054312 15.999 > 77 78 O 0.62077806403389 0.22206728191762 0.80260944054312 15.999 > 77 79 O 0.12077806403389 0.72206728191762 0.80260944054312 15.999 > 77 80 O 0.62077806403389 0.72206728191762 0.80260944054312 15.999 > 77 81 O 0.16905291272200 0.12526348359758 0.46934088366878 15.999 > 81 82 O 0.66905291272200 0.12526348359758 0.46934088366878 15.999 > 81 83 O 0.16905291272200 0.62526348359758 0.46934088366878 15.999 > 81 84 O 0.66905291272200 0.62526348359758 0.46934088366878 15.999 > 81 85 O 0.41905291272200 0.12473651640242 0.53065911633122 15.999 > 85 86 O 0.91905291272200 0.12473651640242 0.53065911633122 15.999 > 85 87 O 0.41905291272200 0.62473651640242 0.53065911633122 15.999 > 85 88 O 0.91905291272200 0.62473651640242 0.53065911633122 15.999 > 85 89 O 0.33094708727800 0.37526348359758 0.03065911633122 15.999 > 89 90 O 0.83094708727800 0.37526348359758 0.03065911633122 15.999 > 89 91 O 0.33094708727800 0.87526348359758 0.03065911633122 15.999 > 89 92 O 0.83094708727800 0.87526348359758 0.03065911633122 15.999 > 89 93 O 0.08094708727800 0.37473651640242 0.96934088366878 15.999 > 93 94 O 0.58094708727800 0.37473651640242 0.96934088366878 15.999 > 93 95 O 0.08094708727800 0.87473651640242 0.96934088366878 15.999 > 93 96 O 0.58094708727800 0.87473651640242 0.96934088366878 15.999 > 93 97 O 0.37283855912642 0.25644873681770 0.31745280571949 15.999 > 97 98 O 0.87283855912642 0.25644873681770 0.31745280571949 15.999 > 97 99 O 0.37283855912642 0.75644873681770 0.31745280571949 15.999 > 97 100 O 0.87283855912642 0.75644873681770 0.31745280571949 15.999 > 97 101 O 0.12283855912642 0.49355126318230 0.68254719428051 15.999 > 101 102 O 0.62283855912642 0.49355126318230 0.68254719428051 15.999 > 101 103 O 0.12283855912642 0.99355126318230 0.68254719428051 15.999 > 101 104 O 0.62283855912642 0.99355126318230 0.68254719428051 15.999 > 101 105 O 0.12716144087358 0.00644873681770 0.18254719428051 15.999 > 105 106 O 0.62716144087358 0.00644873681770 0.18254719428051 15.999 > 105 107 O 0.12716144087358 0.50644873681770 0.18254719428051 15.999 > 105 108 O 0.62716144087358 0.50644873681770 0.18254719428051 15.999 > 105 109 O 0.37716144087358 0.24355126318230 0.81745280571949 15.999 > 109 110 O 0.87716144087358 0.24355126318230 0.81745280571949 15.999 > 109 111 O 0.37716144087358 0.74355126318230 0.81745280571949 15.999 > 109 112 O 0.87716144087358 0.74355126318230 0.81745280571949 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3388626 0.0000000 0.0000000 0.0000000 4.4235526 0.0000000 0.0000000 0.0000000 4.3897981 -------------------------- Born effective charges -------------------------- 1 Ba 2.7492940 0.0576984 -0.0117186 0.1159058 2.8400460 0.1291173 0.0223181 0.1472756 2.6056104 2 Ba 2.7492940 -0.0576984 0.0117186 -0.1159058 2.8400460 0.1291173 -0.0223181 0.1472756 2.6056104 3 Ba 2.7492940 -0.0576984 -0.0117186 -0.1159058 2.8400460 -0.1291173 0.0223181 -0.1472756 2.6056104 4 Ba 2.7492940 0.0576984 0.0117186 0.1159058 2.8400460 -0.1291173 -0.0223181 -0.1472756 2.6056104 5 La 4.0035648 0.0422705 -0.1538308 -0.1185950 4.5566061 0.0941052 -0.2318482 0.1941675 4.5768676 6 La 4.0035648 -0.0422705 0.1538308 0.1185950 4.5566061 0.0941052 0.2318482 0.1941675 4.5768676 7 La 4.0035648 -0.0422705 -0.1538308 0.1185950 4.5566061 -0.0941052 -0.2318482 -0.1941675 4.5768676 8 La 4.0035648 0.0422705 0.1538308 -0.1185950 4.5566061 -0.0941052 0.2318482 -0.1941675 4.5768676 9 Ga 2.9645085 0.0874126 0.0454858 0.0719572 2.4419482 -0.1852997 0.0414586 -0.1467456 2.7552043 10 Ga 2.9645085 -0.0874126 -0.0454858 -0.0719572 2.4419482 -0.1852997 -0.0414586 -0.1467456 2.7552043 11 Ga 2.9645085 -0.0874126 0.0454858 -0.0719572 2.4419482 0.1852997 0.0414586 0.1467456 2.7552043 12 Ga 2.9645085 0.0874126 -0.0454858 0.0719572 2.4419482 0.1852997 -0.0414586 0.1467456 2.7552043 13 O -1.9873940 -0.0184872 -0.0753681 0.0120093 -2.4438604 -0.3886505 -0.0034889 -0.3319345 -2.8933540 14 O -1.9873940 0.0184872 0.0753681 -0.0120093 -2.4438604 -0.3886505 0.0034889 -0.3319345 -2.8933540 15 O -1.9873940 0.0184872 -0.0753681 -0.0120093 -2.4438604 0.3886505 -0.0034889 0.3319345 -2.8933540 16 O -1.9873940 -0.0184872 0.0753681 0.0120093 -2.4438604 0.3886505 0.0034889 0.3319345 -2.8933540 17 O -2.6960654 0.3964818 -0.4816409 0.3752405 -2.4810472 0.3827454 -0.5251728 0.3194839 -2.3193762 18 O -2.6960654 -0.3964818 0.4816409 -0.3752405 -2.4810472 0.3827454 0.5251728 0.3194839 -2.3193762 19 O -2.6960654 -0.3964818 -0.4816409 -0.3752405 -2.4810472 -0.3827454 -0.5251728 -0.3194839 -2.3193762 20 O -2.6960654 0.3964818 0.4816409 0.3752405 -2.4810472 -0.3827454 0.5251728 -0.3194839 -2.3193762 21 O -2.2718436 -0.0700002 -0.4979113 -0.1983125 -2.5646236 0.0940607 -0.5051548 0.0647939 -2.4407414 22 O -2.2718436 0.0700002 0.4979113 0.1983125 -2.5646236 0.0940607 0.5051548 0.0647939 -2.4407414 23 O -2.2718436 0.0700002 -0.4979113 0.1983125 -2.5646236 -0.0940607 -0.5051548 -0.0647939 -2.4407414 24 O -2.2718436 -0.0700002 0.4979113 -0.1983125 -2.5646236 -0.0940607 0.5051548 -0.0647939 -2.4407414 25 O -2.7620644 -0.1185750 0.4250793 0.0686443 -2.3490692 0.1795320 0.3917901 0.1577453 -2.2842107 26 O -2.7620644 0.1185750 -0.4250793 -0.0686443 -2.3490692 0.1795320 -0.3917901 0.1577453 -2.2842107 27 O -2.7620644 0.1185750 0.4250793 -0.0686443 -2.3490692 -0.1795320 0.3917901 -0.1577453 -2.2842107 28 O -2.7620644 -0.1185750 -0.4250793 0.0686443 -2.3490692 -0.1795320 -0.3917901 -0.1577453 -2.2842107 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 0.55, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.649 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.559 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.581 ( 0.000 0.000 0.000) 0.000 17.141 ( 0.000 0.000 0.000) 0.000 17.330 ( 0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 0.000) 0.000 17.747 ( 0.000 0.000 0.000) 0.000 17.937 ( 0.000 0.000 0.000) 0.000 18.072 ( 0.000 0.000 0.000) 0.000 19.188 ( 0.000 0.000 0.000) 0.000 19.860 ( 0.000 0.000 0.000) 0.000 19.912 ( 0.000 0.000 0.000) 0.000 20.043 ( 0.000 0.000 0.000) 0.000 20.311 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 21.238 0.000 0.000) 21.238 0.570 ( 29.467 0.000 0.000) 29.467 1.030 ( 52.692 0.000 0.000) 52.692 1.690 ( 3.681 0.000 0.000) 3.681 1.957 ( -2.124 0.000 0.000) 2.124 2.022 ( 0.122 0.000 0.000) 0.122 2.161 ( -0.286 0.000 0.000) 0.286 2.282 ( -0.332 0.000 0.000) 0.332 2.380 ( 0.853 0.000 0.000) 0.853 2.516 ( 1.964 0.000 0.000) 1.964 2.541 ( -2.468 0.000 0.000) 2.468 2.696 ( 2.321 0.000 0.000) 2.321 2.984 ( 9.320 0.000 0.000) 9.320 2.999 ( -4.016 0.000 0.000) 4.016 3.124 ( -0.309 0.000 0.000) 0.309 3.259 ( -0.811 0.000 0.000) 0.811 3.329 ( 0.639 0.000 0.000) 0.639 3.375 ( 6.008 0.000 0.000) 6.008 3.497 ( 1.992 0.000 0.000) 1.992 3.518 ( -0.366 0.000 0.000) 0.366 3.693 ( 6.724 0.000 0.000) 6.724 3.821 ( 1.121 0.000 0.000) 1.121 3.957 ( -0.427 0.000 0.000) 0.427 3.991 ( 9.209 0.000 0.000) 9.209 4.388 ( 2.730 0.000 0.000) 2.730 4.518 ( -0.105 0.000 0.000) 0.105 4.566 ( 7.826 0.000 0.000) 7.826 4.582 ( 9.166 0.000 0.000) 9.166 4.759 ( -1.754 0.000 0.000) 1.754 4.772 ( 2.943 0.000 0.000) 2.943 5.059 ( 9.186 0.000 0.000) 9.186 5.152 ( -1.388 0.000 0.000) 1.388 5.326 ( 3.507 0.000 0.000) 3.507 5.383 ( 7.825 0.000 0.000) 7.825 5.474 ( 0.421 0.000 0.000) 0.421 5.645 ( -1.646 0.000 0.000) 1.646 5.775 ( 11.088 0.000 0.000) 11.088 5.780 ( -0.191 0.000 0.000) 0.191 5.870 ( -0.793 0.000 0.000) 0.793 5.976 ( 0.375 0.000 0.000) 0.375 6.252 ( -8.386 0.000 0.000) 8.386 6.303 ( -3.795 0.000 0.000) 3.795 6.463 ( 1.610 0.000 0.000) 1.610 6.838 ( -4.915 0.000 0.000) 4.915 6.964 ( -2.688 0.000 0.000) 2.688 7.021 ( -4.003 0.000 0.000) 4.003 7.085 ( 14.766 0.000 0.000) 14.766 7.291 ( 9.177 0.000 0.000) 9.177 7.396 ( -1.256 0.000 0.000) 1.256 7.579 ( 5.874 0.000 0.000) 5.874 7.903 ( 2.365 0.000 0.000) 2.365 8.077 ( 8.052 0.000 0.000) 8.052 8.210 ( 0.087 0.000 0.000) 0.087 8.590 ( -0.576 0.000 0.000) 0.576 8.720 ( -4.165 0.000 0.000) 4.165 9.209 ( 1.807 0.000 0.000) 1.807 9.308 ( 1.048 0.000 0.000) 1.048 9.327 ( 6.198 0.000 0.000) 6.198 9.537 ( -0.271 0.000 0.000) 0.271 9.575 ( 2.684 0.000 0.000) 2.684 10.451 ( -5.300 0.000 0.000) 5.300 10.523 ( -3.513 0.000 0.000) 3.513 10.924 ( 4.089 0.000 0.000) 4.089 11.128 ( -4.675 0.000 0.000) 4.675 11.537 ( 0.682 0.000 0.000) 0.682 12.001 ( -10.608 0.000 0.000) 10.608 12.051 ( -2.896 0.000 0.000) 2.896 12.161 ( -4.246 0.000 0.000) 4.246 15.720 ( 6.162 0.000 0.000) 6.162 15.837 ( -0.106 0.000 0.000) 0.106 16.136 ( 7.451 0.000 0.000) 7.451 16.411 ( -5.671 0.000 0.000) 5.671 16.736 ( 10.821 0.000 0.000) 10.821 17.323 ( -0.150 0.000 0.000) 0.150 17.324 ( -2.849 0.000 0.000) 2.849 17.632 ( 3.060 0.000 0.000) 3.060 17.798 ( 4.698 0.000 0.000) 4.698 18.033 ( -3.884 0.000 0.000) 3.884 19.201 ( 1.423 0.000 0.000) 1.423 19.651 ( -2.309 0.000 0.000) 2.309 19.829 ( -3.078 0.000 0.000) 3.078 19.907 ( -0.495 0.000 0.000) 0.495 20.048 ( 0.371 0.000 0.000) 0.371 20.372 ( -5.157 0.000 0.000) 5.157 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 20.468 0.000 0.000) 20.468 1.105 ( 26.718 0.000 0.000) 26.718 1.744 ( 3.122 0.000 0.000) 3.122 1.896 ( 0.968 0.000 0.000) 0.968 1.946 ( 33.033 0.000 0.000) 33.033 2.018 ( -0.562 0.000 0.000) 0.562 2.164 ( 1.162 0.000 0.000) 1.162 2.313 ( 5.938 0.000 0.000) 5.938 2.389 ( -0.143 0.000 0.000) 0.143 2.504 ( -1.714 0.000 0.000) 1.714 2.557 ( 2.394 0.000 0.000) 2.394 2.721 ( 0.657 0.000 0.000) 0.657 2.908 ( -4.385 0.000 0.000) 4.385 3.051 ( -2.722 0.000 0.000) 2.722 3.143 ( 2.476 0.000 0.000) 2.476 3.169 ( -6.046 0.000 0.000) 6.046 3.388 ( 1.764 0.000 0.000) 1.764 3.468 ( -4.224 0.000 0.000) 4.224 3.548 ( 4.174 0.000 0.000) 4.174 3.624 ( 18.313 0.000 0.000) 18.313 3.880 ( 9.362 0.000 0.000) 9.362 3.891 ( 6.022 0.000 0.000) 6.022 3.973 ( 4.430 0.000 0.000) 4.430 4.179 ( 10.114 0.000 0.000) 10.114 4.417 ( -9.554 0.000 0.000) 9.554 4.498 ( 7.295 0.000 0.000) 7.295 4.685 ( 2.875 0.000 0.000) 2.875 4.778 ( 11.495 0.000 0.000) 11.495 4.826 ( 7.326 0.000 0.000) 7.326 4.870 ( 6.761 0.000 0.000) 6.761 5.124 ( -0.515 0.000 0.000) 0.515 5.219 ( 6.657 0.000 0.000) 6.657 5.412 ( 3.660 0.000 0.000) 3.660 5.457 ( 1.745 0.000 0.000) 1.745 5.593 ( -1.772 0.000 0.000) 1.772 5.672 ( 16.494 0.000 0.000) 16.494 5.774 ( -8.778 0.000 0.000) 8.778 5.794 ( 3.050 0.000 0.000) 3.050 5.965 ( 9.792 0.000 0.000) 9.792 5.967 ( -2.395 0.000 0.000) 2.395 6.239 ( 5.911 0.000 0.000) 5.911 6.324 ( 5.989 0.000 0.000) 5.989 6.515 ( 4.639 0.000 0.000) 4.639 6.735 ( -5.162 0.000 0.000) 5.162 6.844 ( -7.672 0.000 0.000) 7.672 6.998 ( 0.469 0.000 0.000) 0.469 7.267 ( 0.384 0.000 0.000) 0.384 7.429 ( 6.257 0.000 0.000) 6.257 7.447 ( 7.161 0.000 0.000) 7.161 7.757 ( 11.829 0.000 0.000) 11.829 7.960 ( 3.082 0.000 0.000) 3.082 8.220 ( 1.741 0.000 0.000) 1.741 8.237 ( 8.017 0.000 0.000) 8.017 8.564 ( -3.557 0.000 0.000) 3.557 8.640 ( -2.325 0.000 0.000) 2.325 9.251 ( 3.267 0.000 0.000) 3.267 9.287 ( -3.686 0.000 0.000) 3.686 9.469 ( 7.127 0.000 0.000) 7.127 9.492 ( -4.123 0.000 0.000) 4.123 9.694 ( 8.638 0.000 0.000) 8.638 10.366 ( -2.562 0.000 0.000) 2.562 10.449 ( -3.417 0.000 0.000) 3.417 10.959 ( -4.804 0.000 0.000) 4.804 11.060 ( 2.256 0.000 0.000) 2.256 11.551 ( 0.308 0.000 0.000) 0.308 11.755 ( -14.593 0.000 0.000) 14.593 11.985 ( -3.762 0.000 0.000) 3.762 12.022 ( -9.736 0.000 0.000) 9.736 15.867 ( 3.226 0.000 0.000) 3.226 15.873 ( 9.458 0.000 0.000) 9.458 16.284 ( 7.317 0.000 0.000) 7.317 16.324 ( -3.627 0.000 0.000) 3.627 16.962 ( 12.764 0.000 0.000) 12.764 17.273 ( -2.115 0.000 0.000) 2.115 17.346 ( 2.705 0.000 0.000) 2.705 17.673 ( 0.446 0.000 0.000) 0.446 17.894 ( 4.640 0.000 0.000) 4.640 17.940 ( -5.481 0.000 0.000) 5.481 19.248 ( 3.707 0.000 0.000) 3.707 19.585 ( -4.479 0.000 0.000) 4.479 19.754 ( -4.530 0.000 0.000) 4.530 19.893 ( -1.045 0.000 0.000) 1.045 20.051 ( -0.135 0.000 0.000) 0.135 20.246 ( -7.632 0.000 0.000) 7.632 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 18.229 0.000 0.000) 18.229 1.556 ( 19.858 0.000 0.000) 19.858 1.757 ( -1.335 0.000 0.000) 1.335 1.838 ( -2.747 0.000 0.000) 2.747 2.013 ( 1.035 0.000 0.000) 1.035 2.219 ( 4.647 0.000 0.000) 4.647 2.254 ( 3.642 0.000 0.000) 3.642 2.373 ( -1.467 0.000 0.000) 1.467 2.428 ( -3.474 0.000 0.000) 3.474 2.564 ( 3.652 0.000 0.000) 3.652 2.605 ( 2.570 0.000 0.000) 2.570 2.718 ( -1.123 0.000 0.000) 1.123 2.913 ( -0.214 0.000 0.000) 0.214 2.976 ( -4.452 0.000 0.000) 4.452 3.177 ( 16.251 0.000 0.000) 16.251 3.199 ( 4.411 0.000 0.000) 4.411 3.375 ( -1.670 0.000 0.000) 1.670 3.389 ( -3.292 0.000 0.000) 3.292 3.648 ( 5.616 0.000 0.000) 5.616 3.869 ( 3.125 0.000 0.000) 3.125 3.991 ( 6.844 0.000 0.000) 6.844 4.008 ( 2.948 0.000 0.000) 2.948 4.165 ( 10.952 0.000 0.000) 10.952 4.184 ( -10.163 0.000 0.000) 10.163 4.376 ( 9.654 0.000 0.000) 9.654 4.582 ( 1.695 0.000 0.000) 1.695 4.815 ( 9.415 0.000 0.000) 9.415 4.896 ( -0.437 0.000 0.000) 0.437 4.932 ( 4.471 0.000 0.000) 4.471 5.023 ( 10.342 0.000 0.000) 10.342 5.168 ( 4.217 0.000 0.000) 4.217 5.313 ( 2.943 0.000 0.000) 2.943 5.391 ( -2.842 0.000 0.000) 2.842 5.483 ( -1.039 0.000 0.000) 1.039 5.588 ( -0.079 0.000 0.000) 0.079 5.588 ( -5.429 0.000 0.000) 5.429 5.873 ( -7.251 0.000 0.000) 7.251 5.997 ( 17.652 0.000 0.000) 17.652 6.014 ( 10.935 0.000 0.000) 10.935 6.174 ( 11.841 0.000 0.000) 11.841 6.302 ( 3.985 0.000 0.000) 3.985 6.455 ( 5.390 0.000 0.000) 5.390 6.611 ( 2.003 0.000 0.000) 2.003 6.672 ( -0.711 0.000 0.000) 0.711 6.806 ( 6.713 0.000 0.000) 6.713 6.995 ( -1.508 0.000 0.000) 1.508 7.200 ( -5.959 0.000 0.000) 5.959 7.459 ( -5.161 0.000 0.000) 5.161 7.588 ( 8.549 0.000 0.000) 8.549 7.978 ( 10.740 0.000 0.000) 10.740 7.990 ( -0.392 0.000 0.000) 0.392 8.298 ( 4.704 0.000 0.000) 4.704 8.367 ( 5.588 0.000 0.000) 5.588 8.475 ( -3.395 0.000 0.000) 3.395 8.636 ( 1.198 0.000 0.000) 1.198 9.161 ( -9.663 0.000 0.000) 9.663 9.355 ( 7.728 0.000 0.000) 7.728 9.412 ( -3.146 0.000 0.000) 3.146 9.547 ( 0.998 0.000 0.000) 0.998 9.839 ( 4.749 0.000 0.000) 4.749 10.369 ( 2.483 0.000 0.000) 2.483 10.423 ( 0.783 0.000 0.000) 0.783 10.840 ( -4.277 0.000 0.000) 4.277 11.156 ( 6.120 0.000 0.000) 6.120 11.420 ( -15.900 0.000 0.000) 15.900 11.572 ( -3.791 0.000 0.000) 3.791 11.840 ( -7.425 0.000 0.000) 7.425 11.915 ( -3.652 0.000 0.000) 3.652 15.948 ( 4.976 0.000 0.000) 4.976 16.045 ( 7.508 0.000 0.000) 7.508 16.278 ( -0.706 0.000 0.000) 0.706 16.388 ( 3.202 0.000 0.000) 3.202 17.196 ( 9.446 0.000 0.000) 9.446 17.270 ( 4.336 0.000 0.000) 4.336 17.404 ( 1.669 0.000 0.000) 1.669 17.661 ( 0.382 0.000 0.000) 0.382 17.833 ( -6.068 0.000 0.000) 6.068 17.947 ( 0.468 0.000 0.000) 0.468 19.337 ( 5.295 0.000 0.000) 5.295 19.495 ( -4.526 0.000 0.000) 4.526 19.673 ( -3.432 0.000 0.000) 3.432 19.859 ( -3.029 0.000 0.000) 3.029 20.043 ( -0.604 0.000 0.000) 0.604 20.110 ( -5.974 0.000 0.000) 5.974 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 13.769 0.000 0.000) 13.769 1.675 ( -7.617 0.000 0.000) 7.617 1.788 ( 4.342 0.000 0.000) 4.342 1.812 ( -0.269 0.000 0.000) 0.269 2.117 ( 10.055 0.000 0.000) 10.055 2.282 ( -1.872 0.000 0.000) 1.872 2.323 ( -4.938 0.000 0.000) 4.938 2.332 ( 2.642 0.000 0.000) 2.642 2.341 ( 2.819 0.000 0.000) 2.819 2.490 ( -7.782 0.000 0.000) 7.782 2.660 ( 3.503 0.000 0.000) 3.503 2.718 ( -0.895 0.000 0.000) 0.895 2.846 ( -1.611 0.000 0.000) 1.611 2.891 ( -4.356 0.000 0.000) 4.356 3.287 ( 2.189 0.000 0.000) 2.189 3.315 ( -1.733 0.000 0.000) 1.733 3.406 ( 7.648 0.000 0.000) 7.648 3.533 ( 3.710 0.000 0.000) 3.710 3.791 ( 12.818 0.000 0.000) 12.818 3.861 ( -1.796 0.000 0.000) 1.796 3.875 ( -6.081 0.000 0.000) 6.081 4.018 ( -5.793 0.000 0.000) 5.793 4.207 ( 5.476 0.000 0.000) 5.476 4.273 ( -0.218 0.000 0.000) 0.218 4.551 ( 7.803 0.000 0.000) 7.803 4.616 ( 1.176 0.000 0.000) 1.176 4.857 ( -2.023 0.000 0.000) 2.023 4.860 ( -2.037 0.000 0.000) 2.037 5.094 ( 9.169 0.000 0.000) 9.169 5.188 ( 1.988 0.000 0.000) 1.988 5.233 ( 5.298 0.000 0.000) 5.298 5.310 ( -1.499 0.000 0.000) 1.499 5.371 ( -1.056 0.000 0.000) 1.056 5.382 ( -4.551 0.000 0.000) 4.551 5.613 ( 3.742 0.000 0.000) 3.742 5.647 ( 5.852 0.000 0.000) 5.852 5.733 ( -4.334 0.000 0.000) 4.334 5.907 ( -13.869 0.000 0.000) 13.869 6.333 ( 13.744 0.000 0.000) 13.744 6.368 ( 6.692 0.000 0.000) 6.692 6.496 ( 0.672 0.000 0.000) 0.672 6.502 ( 5.800 0.000 0.000) 5.800 6.700 ( 2.803 0.000 0.000) 2.803 6.708 ( 12.414 0.000 0.000) 12.414 6.835 ( -5.698 0.000 0.000) 5.698 7.031 ( -12.923 0.000 0.000) 12.923 7.065 ( 10.381 0.000 0.000) 10.381 7.276 ( -11.785 0.000 0.000) 11.785 7.773 ( 10.223 0.000 0.000) 10.223 7.934 ( -5.907 0.000 0.000) 5.907 8.152 ( 7.710 0.000 0.000) 7.710 8.277 ( -5.445 0.000 0.000) 5.445 8.449 ( 3.170 0.000 0.000) 3.170 8.480 ( 0.452 0.000 0.000) 0.452 8.723 ( 9.159 0.000 0.000) 9.159 8.942 ( -12.579 0.000 0.000) 12.579 9.396 ( 1.406 0.000 0.000) 1.406 9.442 ( -1.690 0.000 0.000) 1.690 9.620 ( 10.178 0.000 0.000) 10.178 9.814 ( -7.459 0.000 0.000) 7.459 10.429 ( 2.851 0.000 0.000) 2.851 10.449 ( 0.810 0.000 0.000) 0.810 10.872 ( 8.128 0.000 0.000) 8.128 11.110 ( -15.647 0.000 0.000) 15.647 11.283 ( 7.528 0.000 0.000) 7.528 11.443 ( -8.961 0.000 0.000) 8.961 11.794 ( 1.489 0.000 0.000) 1.489 11.847 ( -3.449 0.000 0.000) 3.449 16.041 ( 4.477 0.000 0.000) 4.477 16.102 ( -1.345 0.000 0.000) 1.345 16.325 ( 4.856 0.000 0.000) 4.856 16.398 ( -2.011 0.000 0.000) 2.011 17.274 ( 3.652 0.000 0.000) 3.652 17.361 ( -4.883 0.000 0.000) 4.883 17.475 ( 12.164 0.000 0.000) 12.164 17.676 ( -7.950 0.000 0.000) 7.950 17.764 ( 6.423 0.000 0.000) 6.423 17.898 ( -5.615 0.000 0.000) 5.615 19.413 ( 1.875 0.000 0.000) 1.875 19.434 ( -1.656 0.000 0.000) 1.656 19.663 ( 3.243 0.000 0.000) 3.243 19.768 ( -6.265 0.000 0.000) 6.265 20.032 ( -0.367 0.000 0.000) 0.367 20.039 ( -1.579 0.000 0.000) 1.579 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 21.178 0.000) 21.178 0.543 ( 0.000 27.201 0.000) 27.201 0.926 ( 0.000 45.212 0.000) 45.212 1.712 ( 0.000 5.476 0.000) 5.476 1.858 ( 0.000 -1.129 0.000) 1.129 2.068 ( 0.000 1.048 0.000) 1.048 2.310 ( 0.000 1.234 0.000) 1.234 2.324 ( 0.000 -9.452 0.000) 9.452 2.349 ( 0.000 13.679 0.000) 13.679 2.517 ( 0.000 -2.828 0.000) 2.828 2.646 ( 0.000 2.366 0.000) 2.366 2.727 ( 0.000 7.616 0.000) 7.616 2.897 ( 0.000 -10.849 0.000) 10.849 2.915 ( 0.000 3.677 0.000) 3.677 3.075 ( 0.000 2.961 0.000) 2.961 3.147 ( 0.000 -4.051 0.000) 4.051 3.164 ( 0.000 3.092 0.000) 3.092 3.416 ( 0.000 8.677 0.000) 8.677 3.508 ( 0.000 -0.192 0.000) 0.192 3.533 ( 0.000 8.911 0.000) 8.911 3.645 ( 0.000 -2.305 0.000) 2.305 3.721 ( 0.000 -3.011 0.000) 3.011 3.843 ( 0.000 2.379 0.000) 2.379 4.189 ( 0.000 14.643 0.000) 14.643 4.289 ( 0.000 -11.592 0.000) 11.592 4.393 ( 0.000 -5.768 0.000) 5.768 4.515 ( 0.000 1.401 0.000) 1.401 4.625 ( 0.000 5.890 0.000) 5.890 4.646 ( 0.000 -6.577 0.000) 6.577 5.026 ( 0.000 4.944 0.000) 4.944 5.158 ( 0.000 -5.882 0.000) 5.882 5.229 ( 0.000 5.472 0.000) 5.472 5.287 ( 0.000 -2.160 0.000) 2.160 5.444 ( 0.000 -0.788 0.000) 0.788 5.575 ( 0.000 -3.110 0.000) 3.110 5.675 ( 0.000 -1.561 0.000) 1.561 5.715 ( 0.000 5.415 0.000) 5.415 5.914 ( 0.000 2.349 0.000) 2.349 5.928 ( 0.000 -4.447 0.000) 4.447 6.013 ( 0.000 -3.988 0.000) 3.988 6.029 ( 0.000 -5.933 0.000) 5.933 6.278 ( 0.000 -6.663 0.000) 6.663 6.422 ( 0.000 -0.599 0.000) 0.599 6.548 ( 0.000 8.217 0.000) 8.217 6.795 ( 0.000 -6.963 0.000) 6.963 6.920 ( 0.000 1.951 0.000) 1.951 7.094 ( 0.000 1.724 0.000) 1.724 7.161 ( 0.000 1.714 0.000) 1.714 7.350 ( 0.000 -5.850 0.000) 5.850 7.458 ( 0.000 0.225 0.000) 0.225 7.981 ( 0.000 0.437 0.000) 0.437 8.181 ( 0.000 -2.341 0.000) 2.341 8.338 ( 0.000 9.163 0.000) 9.163 8.633 ( 0.000 3.225 0.000) 3.225 8.757 ( 0.000 -0.592 0.000) 0.592 9.043 ( 0.000 -3.465 0.000) 3.465 9.231 ( 0.000 -3.209 0.000) 3.209 9.284 ( 0.000 -0.264 0.000) 0.264 9.533 ( 0.000 0.473 0.000) 0.473 9.761 ( 0.000 -1.614 0.000) 1.614 10.330 ( 0.000 -15.849 0.000) 15.849 10.365 ( 0.000 -15.988 0.000) 15.988 11.060 ( 0.000 8.946 0.000) 8.946 11.453 ( 0.000 7.271 0.000) 7.271 11.454 ( 0.000 5.817 0.000) 5.817 11.823 ( 0.000 -1.346 0.000) 1.346 12.183 ( 0.000 -0.218 0.000) 0.218 12.564 ( 0.000 -4.197 0.000) 4.197 15.660 ( 0.000 0.177 0.000) 0.177 15.753 ( 0.000 -4.026 0.000) 4.026 16.042 ( 0.000 9.636 0.000) 9.636 16.600 ( 0.000 1.661 0.000) 1.661 16.674 ( 0.000 -0.613 0.000) 0.613 17.104 ( 0.000 -3.559 0.000) 3.559 17.633 ( 0.000 2.951 0.000) 2.951 17.733 ( 0.000 -1.315 0.000) 1.315 17.894 ( 0.000 -0.973 0.000) 0.973 18.189 ( 0.000 9.011 0.000) 9.011 18.808 ( 0.000 -3.741 0.000) 3.741 19.128 ( 0.000 -6.699 0.000) 6.699 19.854 ( 0.000 -0.559 0.000) 0.559 19.944 ( 0.000 2.701 0.000) 2.701 20.123 ( 0.000 -2.844 0.000) 2.844 20.297 ( 0.000 -1.408 0.000) 1.408 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 20.466 18.217 0.000) 27.399 0.786 ( 17.509 21.263 0.000) 27.544 1.255 ( 35.920 24.445 0.000) 43.449 1.746 ( 3.311 4.736 0.000) 5.779 1.867 ( -0.343 -1.538 0.000) 1.576 2.103 ( 2.755 2.440 0.000) 3.681 2.280 ( -0.978 5.492 0.000) 5.578 2.320 ( 1.065 -5.181 0.000) 5.290 2.364 ( -0.505 9.470 0.000) 9.484 2.493 ( 0.293 -0.800 0.000) 0.852 2.671 ( -1.305 4.812 0.000) 4.986 2.726 ( 1.708 5.549 0.000) 5.806 2.861 ( -2.652 -8.266 0.000) 8.681 3.031 ( 8.836 0.743 0.000) 8.868 3.154 ( 2.202 -6.426 0.000) 6.793 3.167 ( 1.932 1.701 0.000) 2.574 3.216 ( 4.628 -1.543 0.000) 4.878 3.393 ( -1.525 1.684 0.000) 2.271 3.533 ( 2.361 4.511 0.000) 5.092 3.580 ( 3.077 6.524 0.000) 7.213 3.691 ( 8.089 0.482 0.000) 8.104 3.762 ( 3.582 -3.338 0.000) 4.897 3.878 ( 3.681 0.273 0.000) 3.691 4.173 ( 1.118 7.537 0.000) 7.619 4.373 ( 5.006 -3.144 0.000) 5.911 4.473 ( 8.993 -4.674 0.000) 10.135 4.566 ( 0.884 2.670 0.000) 2.813 4.621 ( 5.139 0.243 0.000) 5.144 4.727 ( 6.159 -1.960 0.000) 6.463 5.017 ( -11.049 7.136 0.000) 13.153 5.098 ( 5.733 1.283 0.000) 5.874 5.228 ( -9.646 6.854 0.000) 11.833 5.313 ( 4.822 0.505 0.000) 4.849 5.383 ( 3.586 -1.000 0.000) 3.723 5.465 ( 3.485 -0.340 0.000) 3.501 5.658 ( -2.923 0.168 0.000) 2.927 5.753 ( 1.445 1.186 0.000) 1.869 5.832 ( 4.468 2.480 0.000) 5.110 5.908 ( 0.673 0.395 0.000) 0.780 5.960 ( 1.463 0.569 0.000) 1.569 6.193 ( -4.085 -4.974 0.000) 6.436 6.308 ( -3.857 -0.842 0.000) 3.948 6.515 ( 2.490 2.304 0.000) 3.393 6.606 ( 11.006 -17.958 0.000) 21.062 6.853 ( -2.718 -3.091 0.000) 4.116 6.902 ( 3.699 -1.210 0.000) 3.892 7.167 ( 6.632 1.633 0.000) 6.830 7.235 ( 3.325 -3.172 0.000) 4.595 7.396 ( 7.163 -0.994 0.000) 7.232 7.534 ( 7.275 -1.269 0.000) 7.385 7.947 ( -0.747 2.202 0.000) 2.325 8.208 ( 2.972 0.384 0.000) 2.997 8.330 ( -0.554 12.260 0.000) 12.273 8.592 ( -2.401 2.267 0.000) 3.302 8.705 ( -3.983 -0.383 0.000) 4.002 9.122 ( 4.634 -4.707 0.000) 6.605 9.264 ( 3.666 -4.870 0.000) 6.096 9.304 ( 1.650 -0.825 0.000) 1.845 9.574 ( 4.610 0.586 0.000) 4.647 9.654 ( -7.356 2.958 0.000) 7.928 10.279 ( -2.903 -14.023 0.000) 14.320 10.364 ( -1.333 -14.043 0.000) 14.106 11.045 ( -0.999 8.316 0.000) 8.376 11.286 ( -7.752 11.556 0.000) 13.915 11.541 ( 1.881 1.633 0.000) 2.491 11.828 ( -1.704 -4.802 0.000) 5.096 12.112 ( -7.560 -0.063 0.000) 7.560 12.341 ( -14.450 5.634 0.000) 15.509 15.697 ( 4.985 -0.842 0.000) 5.055 15.795 ( 3.522 -2.399 0.000) 4.262 16.161 ( 8.051 5.105 0.000) 9.534 16.564 ( -4.623 6.615 0.000) 8.070 16.751 ( 9.482 1.131 0.000) 9.549 17.178 ( 5.259 -5.999 0.000) 7.978 17.458 ( -11.906 4.595 0.000) 12.762 17.693 ( -1.543 1.515 0.000) 2.162 17.822 ( -0.313 3.413 0.000) 3.428 18.140 ( -1.118 10.301 0.000) 10.361 19.139 ( 1.280 -6.859 0.000) 6.977 19.256 ( 20.334 -22.942 0.000) 30.656 19.821 ( -3.213 -0.896 0.000) 3.335 19.902 ( -4.034 1.548 0.000) 4.321 20.081 ( -1.888 -0.179 0.000) 1.896 20.302 ( -1.920 -3.470 0.000) 3.966 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 14.980 21.959 0.000) 26.582 1.205 ( 23.059 9.699 0.000) 25.016 1.791 ( 3.649 4.240 0.000) 5.594 1.827 ( 1.258 -1.432 0.000) 1.906 2.005 ( 26.880 6.491 0.000) 27.653 2.155 ( 3.651 5.260 0.000) 6.403 2.271 ( -1.859 10.924 0.000) 11.081 2.355 ( 3.036 -1.849 0.000) 3.554 2.388 ( 5.893 5.720 0.000) 8.213 2.513 ( 0.735 0.843 0.000) 1.118 2.625 ( -2.195 4.436 0.000) 4.950 2.753 ( 0.358 2.913 0.000) 2.935 2.804 ( -1.804 -5.325 0.000) 5.623 3.082 ( -2.136 -0.759 0.000) 2.267 3.156 ( 0.344 1.627 0.000) 1.663 3.207 ( -3.001 1.893 0.000) 3.548 3.317 ( 3.903 -0.841 0.000) 3.993 3.405 ( 6.229 -7.662 0.000) 9.874 3.505 ( -2.878 2.103 0.000) 3.565 3.752 ( 11.084 5.734 0.000) 12.479 3.861 ( 9.086 -1.178 0.000) 9.162 3.869 ( 6.452 -0.529 0.000) 6.473 4.000 ( 9.957 3.482 0.000) 10.549 4.264 ( 7.835 4.062 0.000) 8.825 4.422 ( -3.194 0.638 0.000) 3.257 4.523 ( 0.486 3.248 0.000) 3.284 4.685 ( 9.926 -4.160 0.000) 10.762 4.783 ( 7.422 2.116 0.000) 7.718 4.852 ( 6.454 -0.968 0.000) 6.526 4.897 ( 1.444 6.202 0.000) 6.367 5.126 ( -0.480 -0.538 0.000) 0.721 5.230 ( 5.742 1.032 0.000) 5.834 5.392 ( 0.646 -0.959 0.000) 1.156 5.449 ( 3.575 -0.015 0.000) 3.575 5.534 ( -2.156 -3.950 0.000) 4.500 5.688 ( 10.362 0.370 0.000) 10.368 5.794 ( 5.589 1.541 0.000) 5.797 5.842 ( -6.438 0.616 0.000) 6.468 5.927 ( 1.024 0.381 0.000) 1.093 5.991 ( 4.764 1.047 0.000) 4.877 6.229 ( 6.946 -1.441 0.000) 7.094 6.347 ( 7.849 1.696 0.000) 8.031 6.529 ( 0.267 2.028 0.000) 2.046 6.686 ( 0.581 -10.080 0.000) 10.096 6.802 ( -1.921 1.680 0.000) 2.552 6.965 ( 2.839 -1.610 0.000) 3.264 7.221 ( -3.411 -5.342 0.000) 6.338 7.318 ( 7.900 -3.887 0.000) 8.805 7.560 ( 6.778 4.988 0.000) 8.415 7.725 ( 12.988 -2.747 0.000) 13.276 8.003 ( 5.659 2.841 0.000) 6.332 8.260 ( 1.274 2.989 0.000) 3.249 8.339 ( 2.489 8.472 0.000) 8.830 8.561 ( -1.984 -0.000 0.000) 1.984 8.617 ( -4.161 -0.218 0.000) 4.167 9.177 ( 1.265 -3.776 0.000) 3.982 9.301 ( -0.011 -1.617 0.000) 1.617 9.372 ( 4.273 -6.828 0.000) 8.055 9.524 ( -5.975 0.288 0.000) 5.982 9.714 ( 9.105 1.574 0.000) 9.241 10.253 ( 0.297 -11.123 0.000) 11.127 10.329 ( -1.323 -9.542 0.000) 9.634 11.018 ( -2.816 5.668 0.000) 6.329 11.173 ( -3.228 9.084 0.000) 9.640 11.555 ( -0.552 0.367 0.000) 0.663 11.722 ( -9.573 -2.411 0.000) 9.872 11.938 ( -8.904 -1.719 0.000) 9.069 12.105 ( -11.189 3.263 0.000) 11.655 15.828 ( 7.816 -1.083 0.000) 7.891 15.894 ( 7.289 0.532 0.000) 7.308 16.282 ( 4.208 2.963 0.000) 5.147 16.491 ( -2.433 10.371 0.000) 10.652 16.968 ( 12.668 0.787 0.000) 12.693 17.244 ( 0.902 -2.511 0.000) 2.668 17.341 ( -0.123 -0.258 0.000) 0.286 17.697 ( 1.188 -0.230 0.000) 1.210 17.779 ( -4.552 -1.851 0.000) 4.914 18.141 ( 0.604 12.734 0.000) 12.748 19.184 ( 3.659 -7.050 0.000) 7.943 19.456 ( 3.130 -12.386 0.000) 12.775 19.746 ( -4.409 -1.076 0.000) 4.538 19.827 ( -3.066 -3.371 0.000) 4.557 20.060 ( -0.764 0.394 0.000) 0.860 20.216 ( -6.465 -2.123 0.000) 6.805 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 14.571 16.781 0.000) 22.224 1.599 ( 17.037 4.604 0.000) 17.648 1.823 ( 0.612 5.938 0.000) 5.969 1.845 ( 2.354 2.603 0.000) 3.510 2.160 ( 0.155 9.215 0.000) 9.216 2.243 ( 0.941 3.973 0.000) 4.083 2.294 ( 3.698 2.913 0.000) 4.708 2.364 ( -1.040 0.581 0.000) 1.191 2.476 ( -3.695 3.732 0.000) 5.252 2.560 ( 0.966 0.148 0.000) 0.977 2.646 ( 3.803 2.351 0.000) 4.471 2.719 ( -1.333 0.668 0.000) 1.491 2.868 ( 2.311 -1.406 0.000) 2.705 3.015 ( -4.136 2.433 0.000) 4.799 3.209 ( 5.345 2.453 0.000) 5.881 3.248 ( 7.304 0.937 0.000) 7.364 3.304 ( 4.351 0.598 0.000) 4.392 3.429 ( -1.806 -0.142 0.000) 1.811 3.583 ( 7.412 -3.184 0.000) 8.067 3.864 ( 1.662 -1.121 0.000) 2.004 3.985 ( 7.127 -1.274 0.000) 7.240 4.076 ( 6.207 5.660 0.000) 8.400 4.116 ( -2.126 0.107 0.000) 2.129 4.304 ( -1.436 6.803 0.000) 6.952 4.438 ( 9.689 2.914 0.000) 10.117 4.584 ( 4.528 1.991 0.000) 4.946 4.842 ( 5.501 -2.340 0.000) 5.978 4.880 ( 5.390 2.880 0.000) 6.112 4.917 ( 1.267 -0.662 0.000) 1.430 5.035 ( 8.869 0.869 0.000) 8.912 5.166 ( 3.414 -0.905 0.000) 3.532 5.298 ( -3.943 -5.566 0.000) 6.822 5.341 ( 2.442 2.960 0.000) 3.837 5.509 ( -0.118 0.154 0.000) 0.194 5.531 ( 2.964 -2.117 0.000) 3.643 5.651 ( -6.578 2.954 0.000) 7.211 5.822 ( -4.232 -4.221 0.000) 5.977 5.974 ( 12.730 -1.710 0.000) 12.844 6.033 ( 7.629 0.976 0.000) 7.691 6.155 ( 11.130 -1.521 0.000) 11.233 6.300 ( 1.822 -1.808 0.000) 2.567 6.516 ( 9.518 4.764 0.000) 10.644 6.527 ( 0.772 -3.545 0.000) 3.628 6.794 ( 3.929 6.213 0.000) 7.351 6.799 ( 7.743 1.995 0.000) 7.996 6.992 ( -0.647 -0.471 0.000) 0.800 7.129 ( -5.717 -6.167 0.000) 8.409 7.405 ( -0.322 -4.000 0.000) 4.013 7.659 ( 5.567 5.109 0.000) 7.556 7.973 ( 11.868 -0.940 0.000) 11.906 8.068 ( -0.815 6.758 0.000) 6.807 8.306 ( 3.960 0.985 0.000) 4.080 8.401 ( 3.210 2.997 0.000) 4.392 8.490 ( -3.035 1.461 0.000) 3.369 8.593 ( 0.702 -2.877 0.000) 2.961 9.123 ( -7.700 -2.836 0.000) 8.206 9.350 ( 4.105 -1.324 0.000) 4.313 9.382 ( 0.032 -4.117 0.000) 4.117 9.462 ( -1.347 -6.184 0.000) 6.330 9.849 ( 2.586 -0.205 0.000) 2.594 10.288 ( 4.374 -9.876 0.000) 10.802 10.361 ( 4.397 -1.727 0.000) 4.724 10.943 ( -3.222 8.046 0.000) 8.667 11.181 ( 3.104 2.688 0.000) 4.106 11.423 ( -14.438 0.261 0.000) 14.441 11.571 ( -5.224 -0.303 0.000) 5.233 11.798 ( -5.369 -3.218 0.000) 6.259 11.927 ( -7.023 -0.020 0.000) 7.023 15.967 ( 6.917 2.085 0.000) 7.225 16.058 ( 8.740 1.207 0.000) 8.823 16.313 ( -0.164 3.491 0.000) 3.495 16.469 ( -0.725 6.773 0.000) 6.811 17.189 ( 7.630 -0.526 0.000) 7.648 17.264 ( 5.024 -0.416 0.000) 5.041 17.391 ( 2.523 -1.341 0.000) 2.858 17.687 ( -3.783 -7.558 0.000) 8.452 17.715 ( 1.105 4.280 0.000) 4.420 18.127 ( -2.951 12.080 0.000) 12.435 19.275 ( 5.531 -6.998 0.000) 8.920 19.443 ( -2.674 -5.131 0.000) 5.786 19.666 ( -3.493 -0.612 0.000) 3.546 19.791 ( -1.566 -5.855 0.000) 6.061 20.042 ( -1.262 0.118 0.000) 1.267 20.089 ( -6.072 -1.539 0.000) 6.264 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 10.986 11.943 0.000) 16.228 1.746 ( -2.873 6.118 0.000) 6.759 1.850 ( 3.967 7.066 0.000) 8.103 1.899 ( 0.516 6.922 0.000) 6.941 2.193 ( 5.630 6.943 0.000) 8.938 2.287 ( 0.045 0.118 0.000) 0.127 2.315 ( 0.228 0.700 0.000) 0.736 2.351 ( -1.256 2.346 0.000) 2.661 2.398 ( -0.541 4.156 0.000) 4.191 2.495 ( -6.365 0.478 0.000) 6.383 2.687 ( 2.325 2.225 0.000) 3.218 2.732 ( -0.539 1.689 0.000) 1.773 2.848 ( 0.803 0.372 0.000) 0.884 2.924 ( -5.276 2.647 0.000) 5.902 3.247 ( 0.053 -4.272 0.000) 4.272 3.269 ( -1.067 -2.148 0.000) 2.398 3.449 ( 9.115 2.895 0.000) 9.564 3.579 ( 1.756 3.802 0.000) 4.188 3.757 ( 11.729 -1.149 0.000) 11.785 3.887 ( -6.953 1.647 0.000) 7.146 3.892 ( 2.158 2.117 0.000) 3.023 4.067 ( -4.596 3.331 0.000) 5.676 4.184 ( 5.264 -1.186 0.000) 5.396 4.283 ( -3.567 0.298 0.000) 3.580 4.638 ( 9.500 5.633 0.000) 11.045 4.685 ( 4.742 5.907 0.000) 7.574 4.838 ( -2.211 -1.986 0.000) 2.972 4.867 ( -4.045 1.180 0.000) 4.214 5.056 ( 6.463 -0.644 0.000) 6.495 5.146 ( -4.412 -4.327 0.000) 6.180 5.194 ( 8.278 -2.323 0.000) 8.598 5.288 ( 1.087 -2.283 0.000) 2.528 5.367 ( 0.631 0.655 0.000) 0.909 5.434 ( -6.014 2.129 0.000) 6.380 5.621 ( 4.414 1.328 0.000) 4.609 5.651 ( 6.963 0.014 0.000) 6.963 5.722 ( -3.772 -0.251 0.000) 3.781 5.897 ( -13.455 -1.146 0.000) 13.504 6.247 ( 8.405 -6.309 0.000) 10.509 6.329 ( 1.259 -5.119 0.000) 5.271 6.399 ( 12.748 -2.973 0.000) 13.090 6.622 ( -1.121 3.081 0.000) 3.278 6.692 ( 10.831 1.319 0.000) 10.911 6.810 ( 3.721 6.609 0.000) 7.585 6.865 ( -4.033 3.820 0.000) 5.555 6.983 ( -6.595 -3.720 0.000) 7.572 7.093 ( 8.707 2.332 0.000) 9.014 7.290 ( -10.167 1.148 0.000) 10.232 7.812 ( 9.850 3.682 0.000) 10.515 7.983 ( -7.298 4.767 0.000) 8.716 8.161 ( 7.986 0.419 0.000) 7.997 8.287 ( -5.271 0.840 0.000) 5.337 8.454 ( 2.428 0.708 0.000) 2.529 8.486 ( -0.441 0.851 0.000) 0.959 8.689 ( 10.511 -2.702 0.000) 10.852 8.922 ( -12.506 -1.701 0.000) 12.621 9.351 ( 0.946 -4.600 0.000) 4.696 9.396 ( -3.181 -5.199 0.000) 6.095 9.563 ( 11.692 -4.286 0.000) 12.453 9.775 ( -9.175 -3.902 0.000) 9.971 10.408 ( 5.908 -2.814 0.000) 6.544 10.441 ( 2.493 0.964 0.000) 2.673 10.952 ( 5.033 6.805 0.000) 8.464 11.139 ( -13.855 2.713 0.000) 14.118 11.271 ( 6.392 -1.063 0.000) 6.480 11.423 ( -9.282 -1.946 0.000) 9.484 11.770 ( 1.676 -2.374 0.000) 2.906 11.828 ( -4.028 -2.059 0.000) 4.523 16.086 ( 5.406 4.359 0.000) 6.945 16.152 ( -0.302 4.559 0.000) 4.569 16.342 ( 4.458 1.737 0.000) 4.784 16.431 ( -3.680 2.889 0.000) 4.679 17.260 ( 3.562 -1.393 0.000) 3.825 17.340 ( -3.680 -1.831 0.000) 4.111 17.460 ( 8.642 -1.560 0.000) 8.782 17.607 ( -6.076 -5.901 0.000) 8.470 17.820 ( 9.913 6.757 0.000) 11.997 18.013 ( -8.921 9.404 0.000) 12.962 19.362 ( 2.998 -6.100 0.000) 6.797 19.400 ( -1.664 -3.695 0.000) 4.052 19.647 ( 2.299 -1.245 0.000) 2.615 19.731 ( -4.930 -3.240 0.000) 5.899 20.013 ( -1.022 -1.457 0.000) 1.780 20.021 ( -1.447 -1.330 0.000) 1.965 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 21.036 0.000) 21.036 1.075 ( 0.000 26.145 0.000) 26.145 1.752 ( 0.000 35.688 0.000) 35.688 1.818 ( 0.000 3.390 0.000) 3.390 1.911 ( 0.000 4.943 0.000) 4.943 2.069 ( 0.000 -13.825 0.000) 13.825 2.094 ( 0.000 2.141 0.000) 2.141 2.337 ( 0.000 -0.051 0.000) 0.051 2.419 ( 0.000 -7.340 0.000) 7.340 2.532 ( 0.000 4.312 0.000) 4.312 2.679 ( 0.000 -6.755 0.000) 6.755 2.785 ( 0.000 10.538 0.000) 10.538 2.921 ( 0.000 9.258 0.000) 9.258 2.973 ( 0.000 1.131 0.000) 1.131 3.100 ( 0.000 0.205 0.000) 0.205 3.191 ( 0.000 8.603 0.000) 8.603 3.248 ( 0.000 2.817 0.000) 2.817 3.470 ( 0.000 -4.555 0.000) 4.555 3.567 ( 0.000 3.075 0.000) 3.075 3.637 ( 0.000 5.827 0.000) 5.827 3.663 ( 0.000 -1.496 0.000) 1.496 3.675 ( 0.000 5.556 0.000) 5.556 3.954 ( 0.000 7.836 0.000) 7.836 3.990 ( 0.000 -17.502 0.000) 17.502 4.243 ( 0.000 -8.525 0.000) 8.525 4.508 ( 0.000 15.969 0.000) 15.969 4.514 ( 0.000 -7.039 0.000) 7.039 4.605 ( 0.000 7.851 0.000) 7.851 4.782 ( 0.000 9.985 0.000) 9.985 4.953 ( 0.000 -8.945 0.000) 8.945 5.157 ( 0.000 1.529 0.000) 1.529 5.216 ( 0.000 -4.155 0.000) 4.155 5.312 ( 0.000 -1.289 0.000) 1.289 5.402 ( 0.000 -3.913 0.000) 3.913 5.518 ( 0.000 0.654 0.000) 0.654 5.668 ( 0.000 1.572 0.000) 1.572 5.772 ( 0.000 -2.419 0.000) 2.419 5.839 ( 0.000 -3.438 0.000) 3.438 5.891 ( 0.000 -7.098 0.000) 7.098 5.941 ( 0.000 -1.293 0.000) 1.293 5.952 ( 0.000 1.810 0.000) 1.810 6.132 ( 0.000 -7.346 0.000) 7.346 6.391 ( 0.000 -1.672 0.000) 1.672 6.673 ( 0.000 -6.138 0.000) 6.138 6.749 ( 0.000 10.710 0.000) 10.710 6.956 ( 0.000 1.559 0.000) 1.559 7.039 ( 0.000 -3.362 0.000) 3.362 7.182 ( 0.000 -5.050 0.000) 5.050 7.301 ( 0.000 4.011 0.000) 4.011 7.459 ( 0.000 -0.250 0.000) 0.250 8.012 ( 0.000 2.328 0.000) 2.328 8.134 ( 0.000 -2.133 0.000) 2.133 8.518 ( 0.000 7.744 0.000) 7.744 8.700 ( 0.000 0.842 0.000) 0.842 8.742 ( 0.000 1.409 0.000) 1.409 8.955 ( 0.000 -4.790 0.000) 4.790 9.191 ( 0.000 0.358 0.000) 0.358 9.290 ( 0.000 1.265 0.000) 1.265 9.551 ( 0.000 1.265 0.000) 1.265 9.709 ( 0.000 -3.680 0.000) 3.680 9.975 ( 0.000 -18.358 0.000) 18.358 10.019 ( 0.000 -17.382 0.000) 17.382 11.261 ( 0.000 10.718 0.000) 10.718 11.572 ( 0.000 5.523 0.000) 5.523 11.573 ( 0.000 3.875 0.000) 3.875 11.784 ( 0.000 -2.509 0.000) 2.509 12.184 ( 0.000 0.632 0.000) 0.632 12.451 ( 0.000 -6.817 0.000) 6.817 15.666 ( 0.000 0.324 0.000) 0.324 15.699 ( 0.000 -1.588 0.000) 1.588 16.237 ( 0.000 9.586 0.000) 9.586 16.607 ( 0.000 -2.014 0.000) 2.014 16.693 ( 0.000 3.302 0.000) 3.302 17.011 ( 0.000 -5.461 0.000) 5.461 17.665 ( 0.000 0.012 0.000) 0.012 17.700 ( 0.000 -1.802 0.000) 1.802 17.969 ( 0.000 8.535 0.000) 8.535 18.388 ( 0.000 10.579 0.000) 10.579 18.684 ( 0.000 -8.993 0.000) 8.993 18.969 ( 0.000 -8.695 0.000) 8.695 19.845 ( 0.000 -0.044 0.000) 0.044 19.977 ( 0.000 -1.198 0.000) 1.198 20.080 ( 0.000 0.389 0.000) 0.389 20.257 ( 0.000 -2.540 0.000) 2.540 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 21.416 15.398 0.000) 26.377 1.195 ( 12.020 22.358 0.000) 25.384 1.801 ( 2.451 10.424 0.000) 10.708 1.831 ( 2.823 8.847 0.000) 9.286 1.952 ( 7.761 15.267 0.000) 17.126 2.145 ( 4.082 -2.248 0.000) 4.660 2.173 ( 8.910 -2.570 0.000) 9.273 2.349 ( 2.441 1.052 0.000) 2.658 2.414 ( -0.143 -4.673 0.000) 4.675 2.544 ( 0.601 3.451 0.000) 3.503 2.657 ( -1.692 -5.042 0.000) 5.318 2.825 ( 2.376 8.244 0.000) 8.579 2.898 ( -1.987 8.551 0.000) 8.778 3.051 ( 6.817 0.819 0.000) 6.866 3.090 ( 0.066 0.179 0.000) 0.190 3.201 ( 0.357 5.717 0.000) 5.728 3.307 ( 4.345 3.282 0.000) 5.445 3.401 ( -4.730 -2.012 0.000) 5.140 3.562 ( -1.303 1.055 0.000) 1.677 3.674 ( 1.584 -2.564 0.000) 3.014 3.703 ( 7.698 4.547 0.000) 8.940 3.805 ( 10.562 7.621 0.000) 13.025 3.930 ( 0.953 2.206 0.000) 2.403 4.060 ( 5.101 -10.327 0.000) 11.518 4.342 ( 9.929 -7.678 0.000) 12.552 4.466 ( -0.212 1.055 0.000) 1.076 4.613 ( 5.043 5.785 0.000) 7.675 4.675 ( 6.920 7.240 0.000) 10.016 4.797 ( 1.152 7.723 0.000) 7.809 4.966 ( 1.658 -4.942 0.000) 5.213 5.142 ( -3.475 -2.731 0.000) 4.420 5.241 ( 1.914 -0.401 0.000) 1.955 5.326 ( 1.280 -4.093 0.000) 4.288 5.418 ( 1.118 6.001 0.000) 6.104 5.456 ( 2.601 -1.301 0.000) 2.908 5.670 ( -1.590 2.236 0.000) 2.743 5.724 ( -4.737 -5.883 0.000) 7.553 5.838 ( 1.831 -1.165 0.000) 2.170 5.921 ( 1.718 1.282 0.000) 2.144 6.017 ( 6.259 3.994 0.000) 7.425 6.064 ( 2.937 -8.182 0.000) 8.693 6.179 ( 9.237 -10.121 0.000) 13.703 6.364 ( 0.609 -1.332 0.000) 1.465 6.656 ( -0.561 3.107 0.000) 3.157 6.751 ( -3.086 -2.586 0.000) 4.026 6.970 ( 5.004 5.443 0.000) 7.393 7.057 ( -0.325 -7.608 0.000) 7.615 7.274 ( 2.828 2.082 0.000) 3.511 7.355 ( 10.927 -1.782 0.000) 11.071 7.514 ( 5.227 -1.262 0.000) 5.377 8.007 ( 0.495 3.642 0.000) 3.675 8.177 ( 4.185 -2.318 0.000) 4.784 8.529 ( 0.493 7.598 0.000) 7.614 8.650 ( -4.066 0.466 0.000) 4.093 8.738 ( -0.777 5.474 0.000) 5.529 9.027 ( 5.760 -4.860 0.000) 7.536 9.190 ( 0.644 -1.373 0.000) 1.517 9.292 ( -0.276 0.117 0.000) 0.300 9.572 ( -0.217 -1.858 0.000) 1.871 9.653 ( -1.894 -1.114 0.000) 2.197 9.985 ( -0.021 -14.366 0.000) 14.366 10.032 ( 2.356 -17.556 0.000) 17.714 11.234 ( -2.617 10.373 0.000) 10.698 11.483 ( -6.928 7.913 0.000) 10.517 11.582 ( -0.503 1.361 0.000) 1.451 11.757 ( -3.077 -3.198 0.000) 4.438 12.113 ( -7.507 0.509 0.000) 7.524 12.336 ( -10.571 -4.138 0.000) 11.352 15.700 ( 4.569 0.925 0.000) 4.662 15.762 ( 5.743 -1.104 0.000) 5.848 16.298 ( 4.893 7.757 0.000) 9.171 16.623 ( 1.283 -0.311 0.000) 1.320 16.785 ( 9.100 2.806 0.000) 9.523 17.066 ( 5.477 -5.474 0.000) 7.743 17.529 ( -11.124 2.745 0.000) 11.457 17.670 ( -2.721 -2.475 0.000) 3.679 17.944 ( -2.465 8.915 0.000) 9.249 18.379 ( 0.849 12.459 0.000) 12.488 18.827 ( 8.127 -17.251 0.000) 19.069 19.036 ( 8.232 -7.563 0.000) 11.179 19.804 ( -4.004 -0.511 0.000) 4.037 19.910 ( -6.241 -1.710 0.000) 6.471 20.079 ( -0.011 1.305 0.000) 1.305 20.246 ( -1.782 -2.615 0.000) 3.164 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 16.085 14.831 0.000) 21.879 1.482 ( 14.638 17.279 0.000) 22.646 1.835 ( 2.944 1.106 0.000) 3.145 1.885 ( 2.886 4.677 0.000) 5.495 2.160 ( 5.204 3.594 0.000) 6.325 2.250 ( 7.722 3.681 0.000) 8.554 2.330 ( 7.754 1.638 0.000) 7.925 2.419 ( 0.880 3.483 0.000) 3.592 2.495 ( 12.226 5.198 0.000) 13.285 2.533 ( -1.870 -0.519 0.000) 1.941 2.628 ( -0.457 -0.735 0.000) 0.866 2.843 ( -2.021 8.599 0.000) 8.834 2.858 ( -0.024 5.898 0.000) 5.898 3.106 ( 0.257 2.946 0.000) 2.957 3.151 ( 3.798 2.611 0.000) 4.609 3.239 ( 4.710 -0.027 0.000) 4.710 3.316 ( -3.817 -0.827 0.000) 3.906 3.343 ( -0.702 -0.023 0.000) 0.703 3.561 ( 1.070 4.024 0.000) 4.163 3.728 ( 4.735 -5.317 0.000) 7.120 3.867 ( 2.989 0.432 0.000) 3.020 3.947 ( 13.042 6.550 0.000) 14.594 4.116 ( 11.059 5.989 0.000) 12.576 4.183 ( 9.892 -7.060 0.000) 12.153 4.479 ( 0.287 0.017 0.000) 0.288 4.559 ( 9.110 -3.305 0.000) 9.691 4.646 ( 1.731 2.782 0.000) 3.276 4.830 ( 7.246 3.213 0.000) 7.926 4.865 ( 6.619 5.120 0.000) 8.368 4.990 ( -1.137 2.324 0.000) 2.587 5.093 ( 2.450 -2.254 0.000) 3.329 5.257 ( -1.264 1.853 0.000) 2.243 5.377 ( 3.871 -1.077 0.000) 4.018 5.471 ( 0.825 -2.328 0.000) 2.470 5.487 ( -0.759 2.542 0.000) 2.653 5.650 ( 4.108 -4.153 0.000) 5.842 5.715 ( 1.690 -5.223 0.000) 5.489 5.898 ( 1.003 -3.931 0.000) 4.057 5.939 ( 5.081 6.238 0.000) 8.045 6.043 ( 0.323 2.226 0.000) 2.249 6.186 ( 5.706 -2.556 0.000) 6.252 6.334 ( 8.091 -2.376 0.000) 8.432 6.528 ( 13.966 -1.817 0.000) 14.083 6.604 ( -3.202 4.227 0.000) 5.303 6.757 ( 4.512 -5.440 0.000) 7.068 7.016 ( -1.625 -1.965 0.000) 2.550 7.078 ( 2.273 -0.433 0.000) 2.314 7.301 ( 1.651 1.012 0.000) 1.937 7.610 ( 9.605 -0.307 0.000) 9.610 7.650 ( 12.471 -4.674 0.000) 13.318 8.067 ( 6.199 3.855 0.000) 7.300 8.269 ( 4.686 -1.596 0.000) 4.950 8.510 ( -2.527 6.908 0.000) 7.356 8.583 ( -3.136 1.096 0.000) 3.322 8.690 ( -3.856 8.468 0.000) 9.305 9.116 ( 2.213 -3.112 0.000) 3.819 9.228 ( 3.016 -2.349 0.000) 3.823 9.276 ( -0.971 -3.650 0.000) 3.777 9.464 ( -7.469 -5.788 0.000) 9.449 9.746 ( 7.008 1.192 0.000) 7.109 9.978 ( 1.335 -14.768 0.000) 14.828 10.128 ( 7.573 -9.931 0.000) 12.489 11.173 ( -3.497 9.377 0.000) 10.008 11.347 ( -6.550 7.689 0.000) 10.101 11.557 ( -2.637 -0.452 0.000) 2.675 11.669 ( -5.985 -3.168 0.000) 6.772 11.920 ( -11.671 0.006 0.000) 11.671 12.108 ( -12.654 -2.713 0.000) 12.942 15.837 ( 9.369 1.695 0.000) 9.521 15.902 ( 8.929 0.339 0.000) 8.935 16.377 ( 2.986 5.916 0.000) 6.627 16.634 ( -0.655 2.805 0.000) 2.880 17.001 ( 12.668 2.647 0.000) 12.942 17.188 ( 6.101 -2.960 0.000) 6.781 17.351 ( -6.010 1.615 0.000) 6.223 17.609 ( -3.845 -5.653 0.000) 6.837 17.887 ( -2.688 9.813 0.000) 10.175 18.405 ( 0.827 12.912 0.000) 12.939 18.934 ( 5.072 -16.650 0.000) 17.405 19.220 ( 8.386 -10.119 0.000) 13.142 19.716 ( -4.502 -1.438 0.000) 4.726 19.776 ( -7.175 -2.637 0.000) 7.645 20.073 ( -0.818 1.239 0.000) 1.485 20.180 ( -5.014 -1.521 0.000) 5.240 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 10.287 16.305 0.000) 19.279 1.738 ( 11.825 9.243 0.000) 15.009 1.931 ( 6.799 5.180 0.000) 8.547 1.949 ( 4.004 5.580 0.000) 6.868 2.218 ( 2.987 -1.229 0.000) 3.230 2.321 ( 1.327 0.657 0.000) 1.481 2.384 ( -1.955 5.347 0.000) 5.693 2.464 ( -0.951 4.430 0.000) 4.531 2.493 ( 1.519 -0.321 0.000) 1.553 2.568 ( -1.660 3.827 0.000) 4.172 2.724 ( 4.310 5.617 0.000) 7.080 2.797 ( -1.840 6.488 0.000) 6.744 2.865 ( -1.050 0.430 0.000) 1.134 3.056 ( -3.192 1.594 0.000) 3.568 3.230 ( -4.118 -0.591 0.000) 4.160 3.274 ( 0.617 3.355 0.000) 3.411 3.326 ( 4.758 -1.717 0.000) 5.059 3.451 ( 19.152 5.111 0.000) 19.822 3.596 ( 2.900 3.381 0.000) 4.454 3.825 ( 3.588 -3.046 0.000) 4.707 3.923 ( 4.921 -3.248 0.000) 5.896 4.166 ( 0.262 0.761 0.000) 0.805 4.196 ( 3.912 6.165 0.000) 7.301 4.337 ( -1.372 -1.671 0.000) 2.162 4.497 ( 9.256 4.982 0.000) 10.511 4.658 ( 5.024 1.785 0.000) 5.332 4.774 ( 4.733 -3.033 0.000) 5.621 4.890 ( 2.987 -2.158 0.000) 3.685 4.972 ( 4.479 5.218 0.000) 6.877 5.064 ( 6.932 1.995 0.000) 7.214 5.143 ( -0.750 -0.130 0.000) 0.761 5.206 ( -1.215 -3.796 0.000) 3.986 5.414 ( -0.444 2.640 0.000) 2.677 5.471 ( 2.608 -0.631 0.000) 2.683 5.550 ( 5.788 1.511 0.000) 5.982 5.687 ( -4.701 0.011 0.000) 4.701 5.739 ( 2.183 -3.254 0.000) 3.919 5.908 ( 2.939 -4.205 0.000) 5.130 6.061 ( 3.340 1.615 0.000) 3.710 6.147 ( 9.831 0.527 0.000) 9.845 6.219 ( 0.311 -3.266 0.000) 3.281 6.465 ( 5.002 -1.666 0.000) 5.272 6.635 ( 8.311 4.266 0.000) 9.341 6.828 ( 13.525 1.964 0.000) 13.667 6.869 ( 6.297 -3.293 0.000) 7.106 6.945 ( -4.923 -5.287 0.000) 7.224 7.092 ( -0.071 6.608 0.000) 6.609 7.335 ( 1.052 -2.446 0.000) 2.663 7.742 ( 7.013 2.742 0.000) 7.530 7.922 ( 13.555 -4.214 0.000) 14.195 8.195 ( 3.237 4.900 0.000) 5.873 8.327 ( 2.046 0.121 0.000) 2.050 8.459 ( -1.945 2.919 0.000) 3.508 8.531 ( -0.907 2.399 0.000) 2.565 8.619 ( -3.343 6.872 0.000) 7.642 9.076 ( -6.233 -1.738 0.000) 6.471 9.236 ( -1.822 -7.267 0.000) 7.492 9.326 ( -0.494 -3.449 0.000) 3.485 9.338 ( 1.031 -5.106 0.000) 5.209 9.782 ( -3.140 -7.470 0.000) 8.104 10.126 ( 13.142 -4.255 0.000) 13.814 10.303 ( 10.154 -4.138 0.000) 10.965 11.115 ( -2.279 9.032 0.000) 9.315 11.257 ( -2.772 4.452 0.000) 5.245 11.427 ( -11.470 -0.079 0.000) 11.470 11.552 ( -7.211 -1.938 0.000) 7.467 11.735 ( -5.995 -2.577 0.000) 6.526 11.891 ( -9.312 -3.547 0.000) 9.965 16.027 ( 9.968 3.550 0.000) 10.581 16.089 ( 10.463 1.730 0.000) 10.605 16.405 ( -0.115 5.383 0.000) 5.384 16.590 ( -3.923 3.974 0.000) 5.584 17.189 ( 3.305 0.928 0.000) 3.433 17.262 ( 5.808 0.451 0.000) 5.825 17.352 ( 3.466 -2.387 0.000) 4.209 17.525 ( -4.087 -7.875 0.000) 8.872 17.882 ( 3.074 11.777 0.000) 12.171 18.379 ( -4.227 12.460 0.000) 13.157 19.041 ( 5.970 -15.308 0.000) 16.430 19.304 ( 0.413 -9.061 0.000) 9.070 19.648 ( -3.581 -1.233 0.000) 3.787 19.683 ( -0.857 -3.989 0.000) 4.081 20.045 ( -2.185 0.250 0.000) 2.200 20.073 ( -5.657 -0.085 0.000) 5.657 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 5.115 12.130 0.000) 13.165 1.881 ( 3.455 7.139 0.000) 7.931 2.019 ( 2.997 7.429 0.000) 8.010 2.041 ( 2.377 6.666 0.000) 7.077 2.286 ( 3.267 0.056 0.000) 3.268 2.331 ( -2.231 4.871 0.000) 5.357 2.351 ( 3.380 2.480 0.000) 4.193 2.435 ( -2.943 3.644 0.000) 4.684 2.485 ( -0.344 4.748 0.000) 4.760 2.525 ( -3.334 5.376 0.000) 6.326 2.743 ( 0.516 4.379 0.000) 4.410 2.782 ( -2.653 1.826 0.000) 3.221 2.868 ( 4.561 2.109 0.000) 5.025 2.974 ( -5.478 2.013 0.000) 5.836 3.177 ( -0.498 -2.437 0.000) 2.488 3.215 ( -3.873 -2.986 0.000) 4.890 3.511 ( 11.312 3.227 0.000) 11.763 3.633 ( -0.251 0.692 0.000) 0.736 3.796 ( 7.964 4.810 0.000) 9.304 3.918 ( 11.543 0.418 0.000) 11.550 3.930 ( -6.815 1.011 0.000) 6.889 4.120 ( 0.889 4.257 0.000) 4.349 4.182 ( -3.015 -1.246 0.000) 3.262 4.278 ( -5.786 0.583 0.000) 5.815 4.693 ( 8.075 0.618 0.000) 8.098 4.762 ( 4.604 0.882 0.000) 4.688 4.782 ( 0.015 -3.013 0.000) 3.013 4.906 ( -4.816 -0.333 0.000) 4.827 5.068 ( 4.398 -0.490 0.000) 4.425 5.112 ( 1.559 0.819 0.000) 1.761 5.164 ( 2.332 0.596 0.000) 2.407 5.207 ( -1.396 -4.591 0.000) 4.798 5.411 ( 2.738 4.244 0.000) 5.051 5.505 ( -4.321 6.256 0.000) 7.603 5.624 ( 3.361 -0.882 0.000) 3.474 5.670 ( 4.223 0.592 0.000) 4.264 5.733 ( 0.356 1.626 0.000) 1.664 5.866 ( -8.383 -1.558 0.000) 8.526 6.147 ( 5.063 -2.426 0.000) 5.614 6.225 ( -2.301 -3.915 0.000) 4.541 6.349 ( 14.676 -2.331 0.000) 14.859 6.589 ( -0.172 -4.878 0.000) 4.881 6.686 ( -0.035 -2.974 0.000) 2.974 6.831 ( -6.338 -7.171 0.000) 9.570 6.957 ( 8.182 7.397 0.000) 11.031 7.043 ( 1.289 8.220 0.000) 8.321 7.154 ( 8.528 3.415 0.000) 9.187 7.300 ( -5.304 -0.348 0.000) 5.315 7.905 ( 10.244 5.193 0.000) 11.485 8.104 ( -9.516 6.556 0.000) 11.555 8.144 ( 9.753 -2.373 0.000) 10.037 8.298 ( -6.173 -0.072 0.000) 6.174 8.481 ( 2.797 1.838 0.000) 3.347 8.535 ( -2.668 5.026 0.000) 5.690 8.657 ( 10.989 -0.066 0.000) 10.990 8.895 ( -12.209 -0.623 0.000) 12.225 9.214 ( -0.138 -8.634 0.000) 8.636 9.239 ( -3.035 -9.678 0.000) 10.143 9.492 ( 9.498 -2.652 0.000) 9.861 9.668 ( -8.357 -6.449 0.000) 10.556 10.375 ( 10.933 -0.151 0.000) 10.934 10.454 ( 3.516 0.101 0.000) 3.517 11.101 ( 1.316 7.662 0.000) 7.774 11.198 ( -8.952 2.302 0.000) 9.243 11.257 ( 1.777 0.274 0.000) 1.798 11.373 ( -9.598 -2.706 0.000) 9.973 11.705 ( 1.497 -3.858 0.000) 4.138 11.764 ( -4.610 -4.203 0.000) 6.238 16.195 ( 7.415 5.982 0.000) 9.527 16.256 ( 4.196 5.147 0.000) 6.641 16.391 ( 1.112 3.128 0.000) 3.320 16.491 ( -6.351 2.560 0.000) 6.848 17.225 ( 2.782 -1.843 0.000) 3.337 17.297 ( -3.872 -2.454 0.000) 4.584 17.419 ( 4.909 -2.178 0.000) 5.370 17.487 ( -1.762 -5.519 0.000) 5.794 18.020 ( 10.920 12.992 0.000) 16.972 18.237 ( -10.454 12.708 0.000) 16.456 19.152 ( 5.838 -14.347 0.000) 15.489 19.257 ( -4.723 -11.177 0.000) 12.134 19.630 ( 1.967 -0.208 0.000) 1.978 19.677 ( -1.509 -1.590 0.000) 2.192 19.991 ( -1.615 -0.504 0.000) 1.692 20.004 ( -2.248 -0.371 0.000) 2.279 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 20.787 0.000) 20.787 1.569 ( 0.000 23.169 0.000) 23.169 1.653 ( 0.000 -18.284 0.000) 18.284 1.923 ( 0.000 -6.147 0.000) 6.147 1.985 ( 0.000 1.733 0.000) 1.733 2.026 ( 0.000 -6.972 0.000) 6.972 2.171 ( 0.000 5.446 0.000) 5.446 2.278 ( 0.000 -4.529 0.000) 4.529 2.555 ( 0.000 22.311 0.000) 22.311 2.588 ( 0.000 1.969 0.000) 1.969 2.616 ( 0.000 -1.197 0.000) 1.197 2.879 ( 0.000 -7.173 0.000) 7.173 3.014 ( 0.000 6.725 0.000) 6.725 3.077 ( 0.000 4.468 0.000) 4.468 3.148 ( 0.000 2.174 0.000) 2.174 3.249 ( 0.000 -6.525 0.000) 6.525 3.270 ( 0.000 4.580 0.000) 4.580 3.416 ( 0.000 -1.284 0.000) 1.284 3.629 ( 0.000 2.687 0.000) 2.687 3.655 ( 0.000 -2.309 0.000) 2.309 3.686 ( 0.000 -6.128 0.000) 6.128 3.687 ( 0.000 -0.993 0.000) 0.993 3.848 ( 0.000 10.656 0.000) 10.656 4.061 ( 0.000 -10.139 0.000) 10.139 4.137 ( 0.000 10.360 0.000) 10.360 4.346 ( 0.000 -9.985 0.000) 9.985 4.746 ( 0.000 7.096 0.000) 7.096 4.816 ( 0.000 -3.523 0.000) 3.523 4.829 ( 0.000 12.864 0.000) 12.864 5.000 ( 0.000 10.758 0.000) 10.758 5.054 ( 0.000 -9.367 0.000) 9.367 5.163 ( 0.000 -4.738 0.000) 4.738 5.201 ( 0.000 -3.516 0.000) 3.516 5.274 ( 0.000 -7.901 0.000) 7.901 5.614 ( 0.000 6.021 0.000) 6.021 5.715 ( 0.000 -2.666 0.000) 2.666 5.741 ( 0.000 -4.312 0.000) 4.312 5.742 ( 0.000 1.455 0.000) 1.455 5.784 ( 0.000 1.079 0.000) 1.079 5.907 ( 0.000 -5.414 0.000) 5.414 5.996 ( 0.000 2.359 0.000) 2.359 6.034 ( 0.000 -1.876 0.000) 1.876 6.399 ( 0.000 3.499 0.000) 3.499 6.527 ( 0.000 -8.155 0.000) 8.155 6.932 ( 0.000 7.044 0.000) 7.044 6.987 ( 0.000 1.824 0.000) 1.824 6.999 ( 0.000 -1.195 0.000) 1.195 7.067 ( 0.000 -5.621 0.000) 5.621 7.389 ( 0.000 3.832 0.000) 3.832 7.442 ( 0.000 -1.576 0.000) 1.576 8.059 ( 0.000 2.233 0.000) 2.233 8.098 ( 0.000 -1.712 0.000) 1.712 8.618 ( 0.000 2.543 0.000) 2.543 8.658 ( 0.000 -2.388 0.000) 2.388 8.820 ( 0.000 3.802 0.000) 3.802 8.878 ( 0.000 -2.791 0.000) 2.791 9.267 ( 0.000 6.866 0.000) 6.866 9.340 ( 0.000 2.537 0.000) 2.537 9.558 ( 0.000 -2.697 0.000) 2.697 9.602 ( 0.000 -7.161 0.000) 7.161 9.688 ( 0.000 -5.802 0.000) 5.802 9.743 ( 0.000 -8.638 0.000) 8.638 11.462 ( 0.000 8.890 0.000) 8.890 11.586 ( 0.000 -2.950 0.000) 2.950 11.664 ( 0.000 3.770 0.000) 3.770 11.728 ( 0.000 -2.956 0.000) 2.956 12.219 ( 0.000 3.178 0.000) 3.178 12.315 ( 0.000 -6.290 0.000) 6.290 15.672 ( 0.000 0.345 0.000) 0.345 15.680 ( 0.000 -0.527 0.000) 0.527 16.409 ( 0.000 7.616 0.000) 7.616 16.535 ( 0.000 -5.011 0.000) 5.011 16.783 ( 0.000 5.339 0.000) 5.339 16.896 ( 0.000 -5.928 0.000) 5.928 17.659 ( 0.000 -0.085 0.000) 0.085 17.670 ( 0.000 -1.143 0.000) 1.143 18.193 ( 0.000 13.110 0.000) 13.110 18.459 ( 0.000 -13.047 0.000) 13.047 18.598 ( 0.000 10.361 0.000) 10.361 18.792 ( 0.000 -9.216 0.000) 9.216 19.860 ( 0.000 1.688 0.000) 1.688 19.914 ( 0.000 -3.560 0.000) 3.560 20.131 ( 0.000 3.470 0.000) 3.470 20.199 ( 0.000 -3.272 0.000) 3.272 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 14.844 15.149 0.000) 21.209 1.633 ( 6.391 20.897 0.000) 21.852 1.704 ( 4.946 -11.608 0.000) 12.618 1.930 ( 1.022 -1.937 0.000) 2.190 2.045 ( 4.512 -2.516 0.000) 5.166 2.062 ( 4.001 -9.052 0.000) 9.896 2.244 ( 6.987 4.463 0.000) 8.291 2.327 ( 5.899 -3.085 0.000) 6.657 2.574 ( 0.216 7.990 0.000) 7.993 2.595 ( 0.743 8.742 0.000) 8.774 2.614 ( 1.604 4.968 0.000) 5.221 2.897 ( 1.675 -6.504 0.000) 6.716 3.033 ( 0.134 6.543 0.000) 6.545 3.104 ( 3.098 2.916 0.000) 4.255 3.142 ( -0.446 3.005 0.000) 3.038 3.242 ( 0.159 -5.138 0.000) 5.140 3.314 ( 3.556 3.702 0.000) 5.133 3.410 ( -1.053 2.257 0.000) 2.491 3.603 ( -0.640 -2.226 0.000) 2.316 3.627 ( -1.610 -0.605 0.000) 1.719 3.723 ( 5.099 -2.711 0.000) 5.775 3.778 ( 6.906 -2.967 0.000) 7.517 3.998 ( 13.596 8.591 0.000) 16.082 4.117 ( 1.235 6.887 0.000) 6.997 4.188 ( 10.123 -5.598 0.000) 11.568 4.342 ( 0.367 -9.775 0.000) 9.782 4.761 ( -2.076 4.160 0.000) 4.649 4.798 ( 2.989 2.334 0.000) 3.792 4.914 ( 5.554 6.026 0.000) 8.195 5.013 ( -1.378 -3.905 0.000) 4.141 5.057 ( 3.952 9.971 0.000) 10.725 5.231 ( 6.722 -4.445 0.000) 8.059 5.246 ( 4.349 -1.188 0.000) 4.509 5.320 ( 3.993 -9.657 0.000) 10.450 5.545 ( -5.329 5.116 0.000) 7.387 5.625 ( -5.640 -3.632 0.000) 6.708 5.729 ( -2.424 1.341 0.000) 2.770 5.796 ( 0.994 -2.506 0.000) 2.696 5.847 ( 5.320 -1.906 0.000) 5.651 5.950 ( 3.239 -5.634 0.000) 6.499 6.082 ( 7.658 2.629 0.000) 8.097 6.102 ( 10.587 0.474 0.000) 10.598 6.404 ( 2.260 5.353 0.000) 5.811 6.556 ( 3.279 -8.407 0.000) 9.024 6.824 ( -7.631 4.851 0.000) 9.042 6.915 ( -4.893 -5.200 0.000) 7.141 7.103 ( 7.779 6.334 0.000) 10.031 7.220 ( 10.217 -5.333 0.000) 11.525 7.398 ( 2.104 4.051 0.000) 4.565 7.472 ( 3.008 -3.071 0.000) 4.299 8.078 ( 2.218 3.296 0.000) 3.973 8.133 ( 3.671 -2.287 0.000) 4.325 8.617 ( -0.621 1.521 0.000) 1.642 8.634 ( -1.854 -0.871 0.000) 2.048 8.872 ( 4.296 6.155 0.000) 7.506 8.952 ( 6.598 -2.729 0.000) 7.140 9.214 ( -3.567 3.799 0.000) 5.211 9.304 ( -4.377 -1.641 0.000) 4.674 9.506 ( -3.912 0.371 0.000) 3.930 9.669 ( 5.664 -3.275 0.000) 6.543 9.692 ( -1.562 -7.926 0.000) 8.078 9.783 ( 6.230 -7.663 0.000) 9.876 11.432 ( -3.012 8.907 0.000) 9.403 11.561 ( -3.053 -3.537 0.000) 4.672 11.609 ( -4.616 4.714 0.000) 6.597 11.690 ( -3.931 -3.591 0.000) 5.324 12.144 ( -7.749 2.925 0.000) 8.282 12.231 ( -8.430 -5.519 0.000) 10.076 15.723 ( 5.592 1.184 0.000) 5.716 15.743 ( 6.217 -0.879 0.000) 6.279 16.448 ( 3.201 7.037 0.000) 7.731 16.568 ( 2.761 -4.763 0.000) 5.506 16.862 ( 8.149 4.586 0.000) 9.351 16.960 ( 6.673 -5.194 0.000) 8.456 17.574 ( -7.890 2.049 0.000) 8.152 17.618 ( -4.996 -2.503 0.000) 5.588 18.172 ( -1.915 13.688 0.000) 13.821 18.459 ( -0.116 -13.311 0.000) 13.311 18.662 ( 5.951 9.148 0.000) 10.914 18.866 ( 7.064 -9.682 0.000) 11.985 19.809 ( -4.921 1.192 0.000) 5.063 19.853 ( -5.815 -3.060 0.000) 6.571 20.129 ( -0.362 3.144 0.000) 3.165 20.191 ( -1.118 -2.960 0.000) 3.164 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 14.458 9.086 0.000) 17.076 1.780 ( 8.429 11.919 0.000) 14.599 1.837 ( 9.242 0.489 0.000) 9.255 1.960 ( 1.965 1.475 0.000) 2.456 2.111 ( 2.619 -4.508 0.000) 5.214 2.153 ( 5.096 -9.499 0.000) 10.779 2.385 ( 5.789 4.392 0.000) 7.266 2.471 ( 4.743 -3.632 0.000) 5.974 2.556 ( 0.983 3.791 0.000) 3.916 2.610 ( 2.313 -1.744 0.000) 2.897 2.706 ( 5.823 15.009 0.000) 16.099 2.916 ( -0.508 -3.246 0.000) 3.286 3.012 ( -2.036 7.568 0.000) 7.837 3.136 ( -0.326 -3.676 0.000) 3.690 3.179 ( 3.992 2.295 0.000) 4.605 3.244 ( 0.348 -2.444 0.000) 2.469 3.373 ( 0.961 4.943 0.000) 5.035 3.377 ( 0.410 5.795 0.000) 5.809 3.607 ( 1.620 -0.265 0.000) 1.641 3.658 ( 4.808 -0.568 0.000) 4.841 3.835 ( 5.412 -2.272 0.000) 5.869 3.918 ( 6.364 -8.698 0.000) 10.777 4.175 ( 7.372 10.656 0.000) 12.958 4.303 ( 15.985 8.018 0.000) 17.883 4.381 ( 5.366 -8.183 0.000) 9.785 4.452 ( 13.582 -6.735 0.000) 15.160 4.706 ( -2.505 4.188 0.000) 4.880 4.825 ( -1.210 -5.662 0.000) 5.790 5.008 ( 3.310 4.371 0.000) 5.483 5.022 ( 3.487 3.077 0.000) 4.650 5.149 ( 3.800 8.391 0.000) 9.211 5.287 ( -6.002 -1.309 0.000) 6.143 5.358 ( 7.970 -0.224 0.000) 7.973 5.386 ( 5.325 -4.448 0.000) 6.938 5.520 ( 1.022 0.313 0.000) 1.068 5.555 ( 0.807 -4.302 0.000) 4.377 5.672 ( -0.618 2.153 0.000) 2.240 5.793 ( -0.919 -7.751 0.000) 7.806 5.957 ( 6.774 -0.117 0.000) 6.775 6.014 ( 4.112 -3.621 0.000) 5.479 6.277 ( 10.433 9.703 0.000) 14.248 6.352 ( 12.793 2.217 0.000) 12.984 6.531 ( 10.109 0.182 0.000) 10.110 6.597 ( -2.301 -5.033 0.000) 5.534 6.731 ( 2.043 3.005 0.000) 3.634 6.830 ( -2.142 -8.435 0.000) 8.703 7.222 ( 3.423 7.524 0.000) 8.266 7.315 ( 0.360 -1.057 0.000) 1.116 7.556 ( 13.533 -2.512 0.000) 13.764 7.574 ( 8.335 -3.110 0.000) 8.896 8.151 ( 5.567 4.307 0.000) 7.038 8.225 ( 5.535 -2.903 0.000) 6.250 8.578 ( -3.087 1.414 0.000) 3.395 8.600 ( -2.386 -0.115 0.000) 2.389 8.909 ( -1.545 11.932 0.000) 12.031 9.067 ( 3.662 -2.193 0.000) 4.269 9.192 ( 0.912 -3.157 0.000) 3.286 9.202 ( -5.190 -4.980 0.000) 7.193 9.412 ( -5.269 5.362 0.000) 7.517 9.626 ( -3.601 -13.280 0.000) 13.759 9.850 ( 12.419 2.934 0.000) 12.761 9.955 ( 11.617 -7.181 0.000) 13.657 11.359 ( -4.272 8.500 0.000) 9.513 11.454 ( -6.946 1.386 0.000) 7.083 11.538 ( -3.682 -0.194 0.000) 3.687 11.593 ( -5.865 -4.114 0.000) 7.164 11.945 ( -12.423 2.694 0.000) 12.711 12.024 ( -12.517 -4.830 0.000) 13.416 15.877 ( 10.246 1.872 0.000) 10.415 15.902 ( 10.152 -0.579 0.000) 10.169 16.501 ( 2.017 6.280 0.000) 6.596 16.610 ( 1.238 -4.178 0.000) 4.357 17.064 ( 12.007 3.335 0.000) 12.461 17.128 ( 9.998 -3.116 0.000) 10.473 17.408 ( -8.606 3.994 0.000) 9.488 17.501 ( -6.982 -5.167 0.000) 8.686 18.140 ( -0.751 15.340 0.000) 15.358 18.458 ( 0.301 -13.671 0.000) 13.674 18.786 ( 6.115 8.631 0.000) 10.577 19.012 ( 6.992 -11.426 0.000) 13.395 19.701 ( -5.600 0.106 0.000) 5.601 19.724 ( -6.987 -2.160 0.000) 7.313 20.109 ( -1.907 2.126 0.000) 2.856 20.149 ( -3.381 -1.773 0.000) 3.818 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 7.100 8.505 0.000) 11.079 1.958 ( 8.177 7.280 0.000) 10.948 2.009 ( 4.870 0.140 0.000) 4.872 2.022 ( 8.159 2.432 0.000) 8.514 2.169 ( 4.684 -1.296 0.000) 4.860 2.255 ( 5.483 -7.143 0.000) 9.004 2.433 ( 0.536 1.629 0.000) 1.715 2.448 ( -2.933 0.265 0.000) 2.945 2.615 ( 1.649 5.532 0.000) 5.773 2.695 ( 4.338 1.984 0.000) 4.770 2.770 ( 1.130 3.938 0.000) 4.097 2.876 ( -2.937 -1.317 0.000) 3.219 2.959 ( -3.858 8.828 0.000) 9.634 3.083 ( -4.071 -1.153 0.000) 4.231 3.200 ( -2.878 -1.014 0.000) 3.051 3.230 ( -3.056 -3.438 0.000) 4.600 3.413 ( 6.866 5.765 0.000) 8.965 3.501 ( 8.416 -2.494 0.000) 8.777 3.713 ( 11.070 8.577 0.000) 14.004 3.782 ( 7.508 0.363 0.000) 7.517 3.891 ( 0.767 -0.516 0.000) 0.924 4.015 ( 4.454 -11.514 0.000) 12.345 4.330 ( 4.573 6.942 0.000) 8.313 4.402 ( -4.210 2.582 0.000) 4.939 4.557 ( 10.108 2.397 0.000) 10.389 4.636 ( 5.843 -3.254 0.000) 6.688 4.740 ( 3.756 0.121 0.000) 3.758 4.803 ( 1.084 -5.677 0.000) 5.780 5.054 ( 2.626 3.067 0.000) 4.038 5.093 ( 2.388 -0.271 0.000) 2.404 5.164 ( -4.513 0.972 0.000) 4.617 5.180 ( -0.543 0.579 0.000) 0.793 5.452 ( 3.381 3.763 0.000) 5.059 5.514 ( 3.439 3.912 0.000) 5.209 5.539 ( 7.113 -3.059 0.000) 7.743 5.611 ( 2.174 -5.363 0.000) 5.787 5.733 ( 4.406 1.701 0.000) 4.723 5.816 ( 3.561 -5.539 0.000) 6.585 6.077 ( 5.402 1.296 0.000) 5.556 6.124 ( 7.025 -2.299 0.000) 7.392 6.329 ( -3.708 11.884 0.000) 12.449 6.469 ( -1.852 1.219 0.000) 2.217 6.616 ( 6.871 -4.706 0.000) 8.328 6.679 ( 2.873 -10.853 0.000) 11.227 6.891 ( 10.158 2.081 0.000) 10.369 6.906 ( 11.842 0.394 0.000) 11.848 7.241 ( -0.321 6.074 0.000) 6.082 7.307 ( -0.537 -1.227 0.000) 1.339 7.772 ( 11.773 1.149 0.000) 11.829 7.826 ( 14.199 -4.489 0.000) 14.892 8.270 ( 4.901 3.051 0.000) 5.773 8.314 ( 2.845 -1.261 0.000) 3.112 8.509 ( -3.421 2.283 0.000) 4.113 8.551 ( -1.091 -1.120 0.000) 1.564 8.835 ( -5.654 13.280 0.000) 14.433 9.069 ( -3.697 1.632 0.000) 4.042 9.086 ( -5.827 -9.878 0.000) 11.468 9.162 ( -6.048 -7.282 0.000) 9.466 9.386 ( 3.377 6.859 0.000) 7.645 9.578 ( -1.573 -11.352 0.000) 11.461 10.124 ( 15.817 2.891 0.000) 16.079 10.208 ( 14.317 -5.001 0.000) 15.166 11.289 ( -2.736 7.585 0.000) 8.063 11.333 ( -5.704 2.556 0.000) 6.250 11.419 ( -9.597 -0.278 0.000) 9.601 11.480 ( -6.833 -5.193 0.000) 8.583 11.725 ( -8.976 1.961 0.000) 9.188 11.801 ( -9.778 -4.940 0.000) 10.955 16.090 ( 11.690 2.384 0.000) 11.931 16.112 ( 11.679 0.197 0.000) 11.681 16.515 ( -0.807 5.444 0.000) 5.504 16.601 ( -2.459 -2.567 0.000) 3.555 17.238 ( 0.663 3.754 0.000) 3.812 17.287 ( 4.789 2.109 0.000) 5.233 17.303 ( 2.290 -2.351 0.000) 3.282 17.379 ( -3.845 -6.567 0.000) 7.610 18.172 ( 4.614 16.759 0.000) 17.383 18.479 ( 1.543 -9.181 0.000) 9.310 18.857 ( 1.052 4.466 0.000) 4.588 19.079 ( -0.905 -13.028 0.000) 13.059 19.628 ( -2.238 -0.327 0.000) 2.262 19.638 ( -0.489 -1.204 0.000) 1.299 20.057 ( -3.505 0.838 0.000) 3.604 20.070 ( -4.493 -0.367 0.000) 4.508 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 2.822 5.153 0.000) 5.875 2.030 ( 1.111 4.103 0.000) 4.251 2.107 ( 3.119 1.858 0.000) 3.630 2.120 ( 2.227 0.716 0.000) 2.340 2.300 ( 7.227 1.794 0.000) 7.446 2.351 ( 4.679 -2.492 0.000) 5.301 2.395 ( -2.674 2.458 0.000) 3.632 2.434 ( -1.583 -1.508 0.000) 2.187 2.621 ( 0.920 7.259 0.000) 7.317 2.687 ( -4.371 4.660 0.000) 6.389 2.791 ( 2.182 2.009 0.000) 2.966 2.859 ( -3.559 1.999 0.000) 4.082 2.904 ( 3.394 4.086 0.000) 5.312 2.996 ( -5.009 -0.912 0.000) 5.091 3.142 ( -1.726 -1.075 0.000) 2.033 3.159 ( -3.214 -2.531 0.000) 4.091 3.567 ( 7.135 2.308 0.000) 7.499 3.611 ( 2.731 -2.247 0.000) 3.536 3.864 ( 1.893 1.026 0.000) 2.153 3.888 ( -0.596 -0.962 0.000) 1.131 3.999 ( 13.625 4.980 0.000) 14.507 4.099 ( 4.531 -5.180 0.000) 6.882 4.250 ( -6.306 6.666 0.000) 9.176 4.313 ( -7.404 0.715 0.000) 7.438 4.690 ( 3.333 -0.034 0.000) 3.333 4.720 ( 0.682 -2.820 0.000) 2.901 4.772 ( 3.655 0.729 0.000) 3.727 4.830 ( -0.298 -4.975 0.000) 4.984 5.075 ( 0.032 2.145 0.000) 2.145 5.114 ( -0.320 0.869 0.000) 0.926 5.136 ( -0.309 -3.212 0.000) 3.227 5.159 ( -0.011 -2.396 0.000) 2.396 5.542 ( 5.543 6.988 0.000) 8.919 5.593 ( 4.067 1.515 0.000) 4.340 5.622 ( -0.638 -0.375 0.000) 0.740 5.640 ( 1.074 -2.213 0.000) 2.460 5.800 ( 3.443 4.158 0.000) 5.398 5.854 ( -1.051 -0.479 0.000) 1.155 6.159 ( 2.032 2.509 0.000) 3.228 6.189 ( -0.879 -0.398 0.000) 0.965 6.335 ( 7.106 2.287 0.000) 7.465 6.455 ( -0.749 -7.985 0.000) 8.020 6.624 ( -1.832 -1.359 0.000) 2.281 6.680 ( -3.597 -6.526 0.000) 7.452 7.082 ( 9.385 4.554 0.000) 10.432 7.132 ( 7.527 -0.113 0.000) 7.528 7.233 ( -0.108 4.299 0.000) 4.301 7.285 ( -2.612 -1.148 0.000) 2.853 7.999 ( 12.022 4.140 0.000) 12.715 8.077 ( 11.908 -3.864 0.000) 12.519 8.213 ( -8.921 4.220 0.000) 9.868 8.276 ( -7.795 -2.195 0.000) 8.098 8.546 ( 7.066 5.030 0.000) 8.673 8.641 ( 10.292 -2.662 0.000) 10.631 8.700 ( -8.314 10.344 0.000) 13.271 8.875 ( -12.904 -3.859 0.000) 13.469 9.052 ( -0.490 -5.700 0.000) 5.721 9.068 ( -2.670 -5.581 0.000) 6.187 9.470 ( 4.462 1.011 0.000) 4.575 9.541 ( -2.840 -5.704 0.000) 6.372 10.398 ( 11.065 2.078 0.000) 11.258 10.439 ( 7.503 -1.615 0.000) 7.674 11.221 ( -6.065 0.974 0.000) 6.142 11.227 ( -6.347 2.791 0.000) 6.933 11.277 ( 0.239 2.216 0.000) 2.229 11.333 ( -6.097 -1.623 0.000) 6.309 11.644 ( -0.504 -1.303 0.000) 1.397 11.676 ( -3.814 -3.968 0.000) 5.504 16.296 ( 9.452 3.578 0.000) 10.107 16.323 ( 9.587 1.041 0.000) 9.643 16.462 ( -4.419 3.733 0.000) 5.785 16.513 ( -6.739 -0.763 0.000) 6.782 17.205 ( -0.269 0.342 0.000) 0.436 17.242 ( -3.879 -2.893 0.000) 4.839 17.389 ( 3.098 -0.513 0.000) 3.141 17.406 ( 1.426 -2.401 0.000) 2.792 18.312 ( 9.354 15.220 0.000) 17.865 18.464 ( -4.792 5.901 0.000) 7.602 18.877 ( 3.349 -8.446 0.000) 9.086 18.990 ( -7.052 -13.911 0.000) 15.596 19.639 ( 2.231 0.882 0.000) 2.399 19.657 ( 0.947 -0.846 0.000) 1.269 19.992 ( -2.269 0.373 0.000) 2.299 19.999 ( -2.719 -0.302 0.000) 2.736 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 0.000 27.571) 27.571 0.603 ( 0.000 0.000 27.446) 27.446 1.106 ( 0.000 0.000 52.206) 52.206 1.673 ( 0.000 0.000 0.968) 0.968 1.910 ( 0.000 0.000 -2.541) 2.541 1.931 ( 0.000 0.000 -8.884) 8.884 1.967 ( 0.000 0.000 -15.523) 15.523 2.313 ( 0.000 0.000 1.606) 1.606 2.377 ( 0.000 0.000 0.241) 0.241 2.562 ( 0.000 0.000 6.433) 6.433 2.670 ( 0.000 0.000 3.458) 3.458 2.692 ( 0.000 0.000 6.959) 6.959 2.883 ( 0.000 0.000 0.859) 0.859 2.988 ( 0.000 0.000 -3.026) 3.026 3.024 ( 0.000 0.000 -1.394) 1.394 3.206 ( 0.000 0.000 -1.523) 1.523 3.255 ( 0.000 0.000 2.065) 2.065 3.380 ( 0.000 0.000 2.184) 2.184 3.382 ( 0.000 0.000 10.110) 10.110 3.623 ( 0.000 0.000 -0.708) 0.708 3.660 ( 0.000 0.000 -6.606) 6.606 3.681 ( 0.000 0.000 -7.658) 7.658 3.900 ( 0.000 0.000 2.879) 2.879 3.909 ( 0.000 0.000 -5.579) 5.579 4.356 ( 0.000 0.000 -8.299) 8.299 4.465 ( 0.000 0.000 1.995) 1.995 4.548 ( 0.000 0.000 9.829) 9.829 4.557 ( 0.000 0.000 -1.572) 1.572 4.604 ( 0.000 0.000 -6.666) 6.666 4.850 ( 0.000 0.000 4.725) 4.725 4.947 ( 0.000 0.000 0.524) 0.524 5.182 ( 0.000 0.000 -0.737) 0.737 5.305 ( 0.000 0.000 5.483) 5.483 5.377 ( 0.000 0.000 -4.324) 4.324 5.468 ( 0.000 0.000 2.130) 2.130 5.597 ( 0.000 0.000 -1.004) 1.004 5.802 ( 0.000 0.000 -0.136) 0.136 5.843 ( 0.000 0.000 -0.081) 0.081 5.915 ( 0.000 0.000 3.229) 3.229 6.055 ( 0.000 0.000 -2.020) 2.020 6.223 ( 0.000 0.000 -5.659) 5.659 6.370 ( 0.000 0.000 -5.824) 5.824 6.452 ( 0.000 0.000 4.393) 4.393 6.807 ( 0.000 0.000 -5.766) 5.766 6.926 ( 0.000 0.000 2.482) 2.482 7.010 ( 0.000 0.000 2.410) 2.410 7.141 ( 0.000 0.000 -3.968) 3.968 7.261 ( 0.000 0.000 -9.817) 9.817 7.306 ( 0.000 0.000 -1.294) 1.294 7.483 ( 0.000 0.000 -1.225) 1.225 7.958 ( 0.000 0.000 6.399) 6.399 7.978 ( 0.000 0.000 1.050) 1.050 8.333 ( 0.000 0.000 5.124) 5.124 8.494 ( 0.000 0.000 -4.997) 4.997 8.687 ( 0.000 0.000 3.584) 3.584 8.905 ( 0.000 0.000 -5.896) 5.896 9.222 ( 0.000 0.000 3.735) 3.735 9.311 ( 0.000 0.000 1.919) 1.919 9.637 ( 0.000 0.000 8.621) 8.621 9.760 ( 0.000 0.000 -1.385) 1.385 10.296 ( 0.000 0.000 -9.135) 9.135 10.748 ( 0.000 0.000 10.472) 10.472 10.833 ( 0.000 0.000 -12.459) 12.459 11.147 ( 0.000 0.000 3.742) 3.742 11.203 ( 0.000 0.000 -10.337) 10.337 11.494 ( 0.000 0.000 -3.670) 3.670 12.414 ( 0.000 0.000 22.496) 22.496 13.535 ( 0.000 0.000 -9.155) 9.155 15.692 ( 0.000 0.000 3.077) 3.077 15.873 ( 0.000 0.000 -1.281) 1.281 16.047 ( 0.000 0.000 -0.294) 0.294 16.055 ( 0.000 0.000 -0.540) 0.540 16.622 ( 0.000 0.000 4.006) 4.006 17.052 ( 0.000 0.000 -7.171) 7.171 17.386 ( 0.000 0.000 3.976) 3.976 17.579 ( 0.000 0.000 -2.118) 2.118 17.771 ( 0.000 0.000 2.084) 2.084 17.920 ( 0.000 0.000 -1.645) 1.645 19.234 ( 0.000 0.000 4.371) 4.371 19.619 ( 0.000 0.000 -5.045) 5.045 19.944 ( 0.000 0.000 2.598) 2.598 20.039 ( 0.000 0.000 -0.377) 0.377 20.238 ( 0.000 0.000 0.245) 0.245 20.301 ( 0.000 0.000 -0.961) 0.961 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 11.273 0.000 20.231) 23.160 0.870 ( 21.232 0.000 20.933) 29.816 1.438 ( 30.722 0.000 33.003) 45.089 1.688 ( 1.943 0.000 -0.409) 1.985 1.882 ( -1.522 0.000 -6.406) 6.584 1.962 ( 3.186 0.000 -4.498) 5.512 2.034 ( 4.827 0.000 -9.359) 10.530 2.302 ( -0.843 0.000 1.391) 1.626 2.383 ( 0.177 0.000 -0.353) 0.395 2.550 ( -2.366 0.000 5.899) 6.356 2.622 ( -1.315 0.000 4.497) 4.685 2.747 ( 1.835 0.000 3.210) 3.697 2.951 ( 1.935 0.000 -0.576) 2.018 3.002 ( 2.453 0.000 -1.267) 2.760 3.093 ( 3.450 0.000 -6.644) 7.486 3.204 ( 0.103 0.000 -1.388) 1.392 3.287 ( 1.863 0.000 -1.036) 2.132 3.344 ( 4.691 0.000 1.746) 5.005 3.425 ( 1.826 0.000 4.547) 4.900 3.562 ( -2.998 0.000 -2.736) 4.059 3.716 ( 4.105 0.000 -3.907) 5.667 3.817 ( 9.256 0.000 -0.435) 9.266 3.914 ( 1.578 0.000 -3.421) 3.768 4.002 ( 9.286 0.000 0.481) 9.298 4.367 ( 1.652 0.000 -3.627) 3.985 4.430 ( -4.331 0.000 -8.265) 9.331 4.557 ( 2.459 0.000 -1.838) 3.070 4.646 ( 9.213 0.000 7.306) 11.758 4.676 ( 4.807 0.000 -5.655) 7.422 4.840 ( 2.098 0.000 8.037) 8.306 5.030 ( 6.308 0.000 0.879) 6.369 5.200 ( 2.841 0.000 -1.227) 3.095 5.284 ( 0.551 0.000 2.522) 2.581 5.396 ( 2.152 0.000 -0.519) 2.214 5.483 ( 3.835 0.000 2.004) 4.327 5.695 ( 4.605 0.000 -0.427) 4.625 5.843 ( 4.732 0.000 3.332) 5.788 5.882 ( -0.639 0.000 5.786) 5.821 5.895 ( 4.305 0.000 2.509) 4.982 6.053 ( 1.203 0.000 1.125) 1.647 6.284 ( -1.358 0.000 -1.004) 1.689 6.308 ( -9.744 0.000 6.332) 11.621 6.397 ( 1.772 0.000 -7.089) 7.307 6.799 ( 0.015 0.000 -3.303) 3.303 6.873 ( 0.172 0.000 -6.098) 6.101 6.998 ( -8.521 0.000 -1.420) 8.638 7.144 ( 5.423 0.000 -0.049) 5.423 7.232 ( -1.461 0.000 -1.953) 2.439 7.326 ( 6.658 0.000 -6.208) 9.103 7.542 ( 5.290 0.000 -2.897) 6.031 7.975 ( 1.647 0.000 5.991) 6.213 8.051 ( 7.203 0.000 1.391) 7.336 8.317 ( 0.415 0.000 5.765) 5.780 8.553 ( 1.140 0.000 -4.122) 4.277 8.771 ( 2.245 0.000 3.196) 3.906 8.969 ( 5.570 0.000 -9.749) 11.228 9.227 ( 1.502 0.000 -1.002) 1.806 9.342 ( 3.267 0.000 1.354) 3.536 9.660 ( 1.912 0.000 6.270) 6.555 9.752 ( -0.692 0.000 6.035) 6.074 10.288 ( -1.107 0.000 -8.097) 8.172 10.584 ( -9.184 0.000 -0.829) 9.222 10.913 ( 4.208 0.000 0.185) 4.212 11.122 ( -3.044 0.000 0.277) 3.056 11.349 ( 9.191 0.000 -17.654) 19.903 11.505 ( 1.076 0.000 -3.552) 3.711 12.331 ( -8.473 0.000 18.709) 20.538 12.916 ( -38.771 0.000 20.032) 43.641 15.738 ( 4.688 0.000 2.185) 5.173 15.862 ( 1.964 0.000 1.651) 2.566 16.089 ( 4.195 0.000 -3.742) 5.622 16.271 ( 6.712 0.000 -9.055) 11.271 16.727 ( 10.233 0.000 2.382) 10.507 17.168 ( 5.873 0.000 -9.956) 11.559 17.379 ( -0.103 0.000 4.205) 4.207 17.605 ( 3.545 0.000 -2.600) 4.397 17.802 ( 3.093 0.000 1.126) 3.291 17.948 ( 0.372 0.000 -3.727) 3.746 19.237 ( 0.611 0.000 4.089) 4.135 19.613 ( -0.993 0.000 -4.588) 4.695 19.921 ( -2.858 0.000 3.137) 4.244 20.006 ( -8.053 0.000 4.855) 9.403 20.059 ( -2.505 0.000 3.107) 3.991 20.315 ( -3.568 0.000 -4.093) 5.430 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 15.442 0.000 11.223) 19.089 1.280 ( 21.563 0.000 14.898) 26.209 1.678 ( 0.484 0.000 -6.911) 6.928 1.861 ( -0.719 0.000 -2.591) 2.689 2.009 ( 4.434 0.000 -0.374) 4.450 2.048 ( 13.808 0.000 1.797) 13.924 2.168 ( 12.324 0.000 6.102) 13.752 2.314 ( 5.259 0.000 0.225) 5.264 2.388 ( 1.210 0.000 0.348) 1.259 2.514 ( -0.088 0.000 2.928) 2.930 2.600 ( -1.402 0.000 4.304) 4.526 2.745 ( -2.052 0.000 -0.344) 2.081 2.924 ( -0.972 0.000 1.921) 2.153 3.012 ( -3.247 0.000 -4.369) 5.443 3.102 ( 0.618 0.000 0.457) 0.768 3.181 ( -2.766 0.000 -0.921) 2.916 3.389 ( 1.314 0.000 0.141) 1.321 3.470 ( 8.483 0.000 1.128) 8.558 3.504 ( -1.081 0.000 -1.855) 2.148 3.537 ( 10.076 0.000 -7.050) 12.297 3.806 ( 4.507 0.000 -4.502) 6.371 3.967 ( 7.517 0.000 -1.532) 7.672 4.007 ( 8.471 0.000 4.767) 9.720 4.211 ( 11.373 0.000 0.301) 11.377 4.292 ( -7.933 0.000 -6.106) 10.011 4.446 ( 3.623 0.000 -7.136) 8.003 4.603 ( 3.561 0.000 -6.144) 7.102 4.777 ( 4.826 0.000 -7.134) 8.613 4.855 ( 11.829 0.000 5.358) 12.986 4.945 ( 7.408 0.000 10.408) 12.775 5.150 ( 6.432 0.000 5.328) 8.352 5.262 ( 3.360 0.000 2.327) 4.087 5.377 ( -1.122 0.000 -3.623) 3.792 5.398 ( 9.220 0.000 -1.735) 9.382 5.667 ( -1.994 0.000 5.369) 5.727 5.703 ( 11.430 0.000 4.294) 12.210 5.809 ( -2.698 0.000 2.077) 3.405 5.893 ( -2.578 0.000 6.122) 6.642 6.039 ( -0.422 0.000 8.406) 8.417 6.106 ( 6.273 0.000 8.359) 10.451 6.191 ( 8.873 0.000 -3.956) 9.715 6.339 ( 5.505 0.000 0.042) 5.506 6.462 ( 5.174 0.000 -6.035) 7.949 6.732 ( -8.327 0.000 -0.253) 8.330 6.824 ( -2.991 0.000 -2.928) 4.185 6.904 ( -2.343 0.000 -7.549) 7.904 7.186 ( 0.912 0.000 -3.678) 3.789 7.345 ( 9.017 0.000 -3.566) 9.696 7.496 ( 9.616 0.000 -3.410) 10.203 7.661 ( 6.570 0.000 -4.784) 8.127 8.026 ( 4.125 0.000 4.089) 5.808 8.178 ( 5.106 0.000 1.403) 5.295 8.347 ( 2.695 0.000 4.839) 5.540 8.569 ( 0.605 0.000 -0.276) 0.665 8.732 ( -4.064 0.000 7.852) 8.841 9.046 ( 1.999 0.000 -10.512) 10.701 9.260 ( 1.404 0.000 -3.544) 3.812 9.412 ( 2.163 0.000 -2.468) 3.282 9.679 ( -0.483 0.000 8.091) 8.105 9.768 ( 3.725 0.000 6.230) 7.258 10.279 ( 1.096 0.000 -4.896) 5.017 10.442 ( -5.762 0.000 -3.122) 6.553 10.967 ( -0.672 0.000 0.561) 0.876 11.079 ( 1.210 0.000 2.738) 2.993 11.448 ( 0.969 0.000 -15.149) 15.180 11.526 ( 1.148 0.000 -2.960) 3.174 12.116 ( -13.428 0.000 10.921) 17.309 12.331 ( -24.382 0.000 14.722) 28.482 15.836 ( 5.231 0.000 0.148) 5.233 15.962 ( 8.071 0.000 5.357) 9.687 16.154 ( 2.052 0.000 -7.837) 8.101 16.351 ( 3.822 0.000 -1.697) 4.181 16.941 ( 11.480 0.000 -0.198) 11.481 17.212 ( 0.433 0.000 -5.119) 5.137 17.407 ( 3.374 0.000 5.034) 6.060 17.678 ( 2.334 0.000 -0.538) 2.395 17.875 ( 4.267 0.000 -1.744) 4.609 17.903 ( -4.406 0.000 -2.285) 4.964 19.264 ( 2.243 0.000 2.463) 3.331 19.570 ( -3.639 0.000 -2.924) 4.668 19.812 ( -6.522 0.000 5.377) 8.453 19.917 ( -2.091 0.000 1.856) 2.796 20.049 ( -0.393 0.000 -0.055) 0.397 20.206 ( -6.962 0.000 -3.514) 7.798 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 14.842 0.000 4.551) 15.524 1.640 ( 8.357 0.000 1.747) 8.538 1.691 ( 7.887 0.000 0.138) 7.888 1.851 ( -0.092 0.000 1.892) 1.894 2.032 ( 1.005 0.000 0.785) 1.276 2.187 ( 5.527 0.000 -2.944) 6.262 2.263 ( 1.595 0.000 0.755) 1.765 2.356 ( -0.902 0.000 -1.716) 1.939 2.438 ( -2.317 0.000 0.985) 2.517 2.567 ( -1.045 0.000 2.036) 2.288 2.622 ( 4.180 0.000 1.562) 4.462 2.684 ( -3.141 0.000 -3.101) 4.413 2.922 ( -3.795 0.000 -1.683) 4.152 2.934 ( -2.551 0.000 -2.248) 3.400 3.139 ( 0.651 0.000 -5.560) 5.598 3.254 ( 12.638 0.000 6.293) 14.118 3.364 ( -1.129 0.000 2.156) 2.434 3.482 ( 3.659 0.000 6.642) 7.583 3.635 ( 4.172 0.000 -6.097) 7.388 3.681 ( 4.966 0.000 -10.968) 12.039 3.851 ( 0.227 0.000 -2.772) 2.781 4.112 ( -3.809 0.000 -2.513) 4.563 4.166 ( 9.060 0.000 4.930) 10.314 4.199 ( 7.863 0.000 -0.874) 7.912 4.397 ( 6.299 0.000 -0.859) 6.358 4.481 ( 1.490 0.000 -7.949) 8.088 4.713 ( 5.714 0.000 -7.780) 9.653 4.871 ( 7.825 0.000 -3.944) 8.762 5.036 ( 2.277 0.000 9.670) 9.935 5.069 ( 8.369 0.000 3.899) 9.233 5.245 ( 1.993 0.000 5.598) 5.942 5.338 ( 2.470 0.000 1.315) 2.798 5.381 ( 4.228 0.000 1.330) 4.432 5.506 ( 0.845 0.000 2.462) 2.603 5.608 ( -1.134 0.000 2.796) 3.017 5.653 ( -7.318 0.000 4.180) 8.427 5.917 ( -5.054 0.000 4.385) 6.691 5.955 ( 11.307 0.000 1.106) 11.361 6.060 ( 8.339 0.000 3.700) 9.123 6.269 ( 7.811 0.000 1.420) 7.939 6.322 ( 6.322 0.000 2.820) 6.923 6.489 ( 0.904 0.000 -0.653) 1.115 6.588 ( 10.258 0.000 -0.144) 10.259 6.617 ( 1.819 0.000 -4.000) 4.395 6.818 ( -2.046 0.000 -7.154) 7.441 6.863 ( 3.850 0.000 -0.543) 3.888 7.228 ( 2.222 0.000 0.822) 2.369 7.397 ( -4.553 0.000 -2.823) 5.358 7.661 ( 7.223 0.000 -0.339) 7.231 7.764 ( 3.683 0.000 -6.568) 7.530 8.140 ( 7.595 0.000 2.275) 7.928 8.260 ( 4.683 0.000 -0.299) 4.693 8.387 ( 0.364 0.000 3.194) 3.215 8.576 ( 0.818 0.000 4.898) 4.966 8.664 ( -2.925 0.000 4.179) 5.101 9.026 ( -5.017 0.000 -9.130) 10.418 9.304 ( 4.049 0.000 -3.429) 5.306 9.400 ( -1.379 0.000 -3.213) 3.497 9.657 ( -1.782 0.000 8.172) 8.364 9.851 ( 2.397 0.000 0.833) 2.538 10.339 ( 4.866 0.000 -2.574) 5.505 10.386 ( 0.389 0.000 -2.568) 2.597 10.914 ( -2.248 0.000 5.790) 6.211 11.166 ( 6.026 0.000 1.212) 6.146 11.369 ( -8.923 0.000 -4.418) 9.957 11.553 ( 0.714 0.000 -1.857) 1.990 11.861 ( -12.279 0.000 2.695) 12.571 11.973 ( -13.236 0.000 3.839) 13.781 15.937 ( 5.292 0.000 -0.115) 5.293 16.101 ( 3.479 0.000 3.279) 4.781 16.199 ( 5.345 0.000 -4.275) 6.844 16.417 ( 2.407 0.000 0.492) 2.456 17.143 ( 9.291 0.000 -3.302) 9.861 17.232 ( 2.817 0.000 -3.004) 4.118 17.475 ( 1.394 0.000 5.214) 5.397 17.692 ( 1.089 0.000 1.500) 1.854 17.799 ( -5.503 0.000 -1.472) 5.697 17.952 ( 2.696 0.000 -0.492) 2.741 19.311 ( 2.300 0.000 -0.993) 2.505 19.484 ( -4.959 0.000 -2.380) 5.501 19.720 ( -2.732 0.000 4.765) 5.493 19.880 ( -2.289 0.000 1.715) 2.860 20.036 ( -0.937 0.000 -0.679) 1.157 20.083 ( -5.360 0.000 -2.523) 5.924 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 10.588 0.000 -0.965) 10.632 1.605 ( -5.039 0.000 -5.348) 7.348 1.862 ( 1.345 0.000 4.472) 4.670 1.872 ( 2.276 0.000 6.317) 6.714 2.124 ( 9.664 0.000 0.893) 9.705 2.270 ( -1.035 0.000 -1.619) 1.921 2.289 ( 2.097 0.000 -0.411) 2.137 2.328 ( -2.051 0.000 -0.162) 2.058 2.372 ( -0.063 0.000 1.244) 1.245 2.481 ( -7.221 0.000 -0.475) 7.236 2.667 ( 1.796 0.000 0.037) 1.796 2.671 ( 0.796 0.000 -4.086) 4.163 2.845 ( -2.397 0.000 -1.952) 3.091 2.867 ( -3.880 0.000 0.692) 3.941 3.222 ( 6.503 0.000 -9.723) 11.697 3.298 ( -1.781 0.000 -1.939) 2.633 3.384 ( 2.353 0.000 0.957) 2.540 3.516 ( -9.264 0.000 -8.099) 12.305 3.708 ( 8.337 0.000 -1.269) 8.433 3.803 ( -0.995 0.000 0.888) 1.334 3.884 ( 10.431 0.000 2.473) 10.720 4.037 ( -4.097 0.000 -1.068) 4.234 4.283 ( 4.482 0.000 5.130) 6.812 4.336 ( 1.118 0.000 4.424) 4.563 4.438 ( 3.287 0.000 -9.802) 10.339 4.513 ( -1.713 0.000 -9.811) 9.960 4.828 ( 7.998 0.000 1.222) 8.091 4.974 ( -5.771 0.000 6.171) 8.449 5.078 ( 9.503 0.000 0.211) 9.505 5.189 ( 1.320 0.000 0.878) 1.585 5.227 ( -0.165 0.000 -0.743) 0.761 5.311 ( -4.648 0.000 -1.699) 4.949 5.487 ( 4.121 0.000 11.608) 12.318 5.519 ( -0.065 0.000 8.200) 8.200 5.612 ( 3.902 0.000 0.292) 3.913 5.639 ( 4.458 0.000 -0.238) 4.465 5.780 ( -5.155 0.000 4.231) 6.669 5.926 ( -13.681 0.000 1.821) 13.802 6.248 ( 14.094 0.000 -3.524) 14.528 6.394 ( 1.898 0.000 -0.408) 1.942 6.449 ( -0.804 0.000 -3.286) 3.383 6.488 ( 0.738 0.000 -1.409) 1.590 6.663 ( 5.456 0.000 -1.726) 5.722 6.760 ( -3.031 0.000 -2.825) 4.144 6.828 ( 15.331 0.000 5.171) 16.180 7.060 ( 10.558 0.000 1.979) 10.742 7.157 ( -11.831 0.000 5.187) 12.918 7.256 ( -6.482 0.000 -1.565) 6.668 7.758 ( 3.241 0.000 -2.614) 4.164 7.793 ( -0.408 0.000 -6.013) 6.027 8.269 ( 5.070 0.000 5.422) 7.423 8.331 ( -0.968 0.000 2.851) 3.011 8.408 ( 5.975 0.000 0.016) 5.975 8.537 ( -5.898 0.000 3.378) 6.797 8.693 ( 6.856 0.000 -2.107) 7.173 8.867 ( -10.303 0.000 -6.034) 11.940 9.373 ( 2.804 0.000 -2.023) 3.458 9.412 ( 0.201 0.000 -2.838) 2.846 9.662 ( 4.712 0.000 3.418) 5.821 9.802 ( -7.037 0.000 -1.105) 7.124 10.429 ( 3.313 0.000 -0.208) 3.320 10.434 ( 2.772 0.000 -0.839) 2.896 10.940 ( 5.875 0.000 5.656) 8.155 11.127 ( -12.232 0.000 1.102) 12.281 11.316 ( 7.338 0.000 3.404) 8.089 11.479 ( -8.647 0.000 3.292) 9.252 11.743 ( 0.558 0.000 -4.793) 4.826 11.808 ( -5.553 0.000 -3.646) 6.643 16.029 ( 4.304 0.000 -0.682) 4.357 16.094 ( -2.410 0.000 -1.261) 2.720 16.335 ( 6.745 0.000 1.678) 6.951 16.421 ( -2.141 0.000 1.488) 2.607 17.258 ( 4.639 0.000 -1.512) 4.879 17.325 ( 1.095 0.000 -3.617) 3.779 17.466 ( 3.521 0.000 0.534) 3.562 17.619 ( -8.834 0.000 -4.241) 9.799 17.834 ( 7.405 0.000 5.555) 9.257 17.948 ( -3.494 0.000 3.252) 4.774 19.345 ( 1.811 0.000 -4.160) 4.537 19.399 ( -3.858 0.000 -3.861) 5.458 19.726 ( 3.254 0.000 5.254) 6.180 19.812 ( -4.827 0.000 3.657) 6.056 20.017 ( -0.645 0.000 -1.676) 1.796 20.024 ( -1.211 0.000 -1.453) 1.891 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 15.623 18.022) 23.851 0.730 ( 0.000 12.065 22.161) 25.233 1.457 ( 0.000 28.266 37.260) 46.768 1.717 ( 0.000 4.217 -0.413) 4.237 1.837 ( 0.000 -0.328 -1.635) 1.667 1.941 ( 0.000 1.395 -10.973) 11.061 2.168 ( 0.000 9.434 -10.527) 14.136 2.311 ( 0.000 -0.267 0.297) 0.400 2.341 ( 0.000 -2.575 -1.183) 2.833 2.559 ( 0.000 -1.990 4.327) 4.762 2.652 ( 0.000 0.941 1.861) 2.085 2.809 ( 0.000 5.699 3.366) 6.619 2.852 ( 0.000 -5.936 -0.369) 5.947 2.964 ( 0.000 5.107 2.466) 5.671 3.038 ( 0.000 1.883 -1.895) 2.672 3.173 ( 0.000 0.116 0.799) 0.808 3.251 ( 0.000 -4.258 6.960) 8.159 3.393 ( 0.000 5.959 -0.540) 5.984 3.540 ( 0.000 6.502 0.215) 6.505 3.565 ( 0.000 -2.196 0.943) 2.390 3.656 ( 0.000 2.195 2.929) 3.660 3.681 ( 0.000 -0.376 -5.402) 5.415 3.818 ( 0.000 1.370 -1.214) 1.831 4.130 ( 0.000 12.538 -4.642) 13.370 4.343 ( 0.000 -7.110 -0.008) 7.110 4.418 ( 0.000 -2.056 -2.879) 3.538 4.499 ( 0.000 -1.533 2.268) 2.738 4.571 ( 0.000 -1.868 -2.746) 3.321 4.670 ( 0.000 7.271 1.079) 7.351 4.886 ( 0.000 1.922 -3.800) 4.259 5.064 ( 0.000 6.381 -5.396) 8.357 5.180 ( 0.000 -6.702 0.638) 6.733 5.279 ( 0.000 6.362 -2.781) 6.943 5.354 ( 0.000 -1.599 2.736) 3.169 5.560 ( 0.000 2.952 -1.699) 3.406 5.657 ( 0.000 5.250 -3.062) 6.078 5.756 ( 0.000 -3.438 1.018) 3.585 5.819 ( 0.000 -2.105 -0.020) 2.106 5.940 ( 0.000 2.068 3.382) 3.964 6.003 ( 0.000 -4.793 -1.135) 4.925 6.136 ( 0.000 -7.029 -5.405) 8.867 6.387 ( 0.000 -4.584 2.195) 5.082 6.433 ( 0.000 1.492 -5.031) 5.247 6.649 ( 0.000 -16.960 7.782) 18.660 6.767 ( 0.000 -6.470 -0.714) 6.510 6.940 ( 0.000 -3.079 1.860) 3.597 7.133 ( 0.000 6.572 0.841) 6.625 7.144 ( 0.000 -3.520 -0.094) 3.521 7.288 ( 0.000 0.875 -2.665) 2.805 7.512 ( 0.000 -2.015 2.561) 3.258 7.964 ( 0.000 0.256 -0.015) 0.256 8.142 ( 0.000 4.445 -3.470) 5.639 8.386 ( 0.000 6.719 3.989) 7.814 8.610 ( 0.000 5.099 -4.592) 6.862 8.722 ( 0.000 2.229 0.424) 2.269 8.915 ( 0.000 1.390 -8.175) 8.292 9.195 ( 0.000 -2.657 1.683) 3.145 9.306 ( 0.000 -0.480 1.792) 1.855 9.612 ( 0.000 -2.280 5.788) 6.221 9.731 ( 0.000 -2.565 -2.306) 3.449 10.171 ( 0.000 -12.141 -7.468) 14.254 10.449 ( 0.000 -18.697 0.791) 18.714 11.021 ( 0.000 9.578 -2.123) 9.810 11.282 ( 0.000 7.008 -12.946) 14.721 11.316 ( 0.000 10.121 -3.339) 10.658 11.602 ( 0.000 7.553 -7.267) 10.481 12.398 ( 0.000 -1.214 21.194) 21.229 13.114 ( 0.000 -24.406 15.182) 28.743 15.657 ( 0.000 -0.775 1.060) 1.313 15.776 ( 0.000 -4.763 0.549) 4.794 16.072 ( 0.000 9.196 2.856) 9.630 16.470 ( 0.000 11.538 -12.812) 17.241 16.646 ( 0.000 2.499 3.548) 4.340 17.035 ( 0.000 -2.000 -6.150) 6.468 17.592 ( 0.000 9.207 -4.908) 10.433 17.637 ( 0.000 7.185 -5.336) 8.950 17.785 ( 0.000 3.468 1.211) 3.674 17.958 ( 0.000 5.630 -3.272) 6.512 19.162 ( 0.000 -6.704 3.955) 7.784 19.330 ( 0.000 -23.218 11.453) 25.890 19.909 ( 0.000 -3.629 3.779) 5.239 19.998 ( 0.000 1.524 4.233) 4.499 20.119 ( 0.000 -5.174 0.568) 5.205 20.289 ( 0.000 -1.560 -1.063) 1.888 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 13.301 15.040 11.770) 23.274 1.016 ( 21.485 11.444 15.896) 29.074 1.627 ( 15.036 15.448 20.841) 29.985 1.741 ( 5.600 7.204 4.741) 10.283 1.849 ( 1.190 0.929 -0.617) 1.631 2.016 ( 6.391 2.927 -6.726) 9.729 2.184 ( 1.646 10.033 -8.621) 13.330 2.318 ( 0.725 -1.461 0.091) 1.634 2.338 ( 0.380 -0.082 -1.048) 1.117 2.529 ( -1.956 -1.536 4.317) 4.982 2.666 ( -0.175 0.913 1.571) 1.825 2.790 ( -1.481 1.037 0.353) 1.842 2.884 ( 0.668 -0.202 3.949) 4.010 3.029 ( 6.608 0.675 -0.746) 6.684 3.112 ( 5.414 2.523 -3.754) 7.054 3.177 ( 0.031 -1.411 0.101) 1.415 3.235 ( -0.037 -1.172 4.721) 4.865 3.372 ( -1.215 1.806 -0.556) 2.247 3.524 ( -0.615 1.216 -2.479) 2.829 3.570 ( 1.622 5.664 -0.368) 5.904 3.704 ( 2.930 -0.879 -3.160) 4.398 3.785 ( 8.940 -0.364 3.102) 9.470 3.886 ( 7.523 2.263 1.424) 7.984 4.156 ( 3.443 9.370 -2.675) 10.334 4.369 ( 0.739 -3.746 0.732) 3.888 4.433 ( 1.259 1.449 -9.301) 9.497 4.547 ( 3.463 -1.995 -3.182) 5.108 4.621 ( 8.045 -0.681 3.913) 8.972 4.722 ( 3.895 4.019 -2.003) 5.944 4.910 ( 1.725 4.129 0.711) 4.531 5.069 ( 1.448 2.913 -1.576) 3.614 5.205 ( 1.051 -4.259 0.458) 4.411 5.254 ( 2.520 3.887 -3.065) 5.555 5.402 ( 2.248 -0.762 1.440) 2.776 5.502 ( 1.659 1.370 2.128) 3.026 5.691 ( -1.176 -1.824 -1.048) 2.410 5.815 ( 4.721 -1.418 3.126) 5.837 5.857 ( 6.157 -1.803 3.374) 7.249 5.921 ( -0.185 2.333 2.180) 3.199 6.062 ( 3.542 -0.028 1.562) 3.871 6.201 ( 1.148 -6.116 0.914) 6.290 6.291 ( -6.582 -2.874 0.906) 7.239 6.463 ( 1.653 5.758 -7.115) 9.301 6.624 ( 3.841 -16.316 1.709) 16.849 6.806 ( -0.803 -4.650 -3.620) 5.947 6.921 ( -1.493 -2.003 0.687) 2.591 7.155 ( 1.203 -4.658 -3.886) 6.184 7.195 ( 4.780 3.969 0.282) 6.219 7.348 ( 7.228 1.860 -2.775) 7.963 7.568 ( 4.938 -0.627 0.982) 5.074 7.964 ( 1.014 0.594 2.439) 2.707 8.155 ( 2.711 4.198 -3.262) 5.968 8.386 ( 0.193 6.738 4.045) 7.862 8.572 ( -1.951 2.323 -2.485) 3.921 8.756 ( 0.405 -0.621 4.082) 4.149 8.984 ( 4.968 0.989 -8.841) 10.189 9.207 ( 1.613 -2.355 -1.213) 3.101 9.328 ( 2.172 -1.315 1.258) 2.834 9.635 ( 2.299 -2.338 4.213) 5.339 9.726 ( -0.549 -2.371 3.275) 4.080 10.166 ( -0.070 -11.085 -5.960) 12.586 10.400 ( -4.136 -15.252 -0.568) 15.813 11.017 ( -0.188 8.004 -1.340) 8.118 11.234 ( -3.461 8.562 -3.406) 9.843 11.381 ( 4.093 3.583 -11.841) 13.031 11.596 ( -0.624 5.896 -7.202) 9.328 12.314 ( -8.618 -1.329 17.980) 19.983 12.786 ( -26.173 -10.166 18.003) 33.354 15.709 ( 5.229 -1.286 1.539) 5.600 15.808 ( 3.833 -2.856 0.687) 4.829 16.155 ( 5.868 6.607 -0.120) 8.837 16.454 ( -1.114 9.718 -9.495) 13.632 16.752 ( 9.718 2.354 2.319) 10.265 17.114 ( 6.007 -3.814 -5.895) 9.240 17.463 ( -6.938 5.363 1.478) 8.893 17.651 ( 0.427 2.581 -3.336) 4.240 17.829 ( 1.820 3.417 1.070) 4.016 18.016 ( 3.645 7.692 -6.285) 10.581 19.173 ( 1.130 -6.307 3.636) 7.367 19.396 ( 5.125 -19.168 4.171) 20.275 19.881 ( -2.890 -4.512 4.285) 6.861 19.948 ( -5.732 1.108 4.685) 7.486 20.071 ( -1.903 -1.140 -0.524) 2.280 20.276 ( -2.662 -2.487 -2.439) 4.384 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 15.463 15.243 5.948) 22.513 1.389 ( 18.427 10.258 13.642) 25.118 1.727 ( 1.937 4.585 -5.980) 7.780 1.855 ( 0.677 1.108 1.322) 1.853 2.063 ( 11.108 3.971 1.501) 11.892 2.130 ( 4.987 6.443 -1.905) 8.368 2.251 ( 4.300 7.261 -0.456) 8.451 2.357 ( 1.744 -0.038 -1.145) 2.087 2.392 ( 10.857 4.981 3.476) 12.441 2.509 ( 0.389 -0.527 2.006) 2.110 2.634 ( -2.689 1.607 2.561) 4.047 2.749 ( -2.836 -0.418 -1.349) 3.168 2.879 ( -0.334 0.722 3.914) 3.994 3.077 ( -1.783 0.679 -0.404) 1.950 3.135 ( 1.313 4.854 -0.278) 5.036 3.198 ( -1.404 1.795 -0.591) 2.354 3.327 ( 3.484 -4.921 1.362) 6.181 3.376 ( 5.771 -2.950 -2.253) 6.862 3.504 ( -0.309 0.867 -0.050) 0.922 3.659 ( 6.603 4.694 -6.341) 10.288 3.782 ( 4.433 -0.430 -3.967) 5.964 3.951 ( 10.047 -0.365 2.404) 10.337 4.073 ( 9.789 5.259 3.700) 11.712 4.267 ( 3.942 3.308 -1.561) 5.378 4.328 ( -0.046 3.569 -5.014) 6.155 4.461 ( 1.239 1.793 -5.205) 5.643 4.639 ( 4.611 1.403 -7.829) 9.194 4.783 ( 3.807 1.119 -5.377) 6.683 4.823 ( 11.337 -1.526 4.847) 12.424 4.977 ( 5.372 2.459 7.742) 9.739 5.146 ( 6.281 -0.811 4.127) 7.559 5.244 ( 3.109 -2.298 1.660) 4.208 5.371 ( 2.386 0.567 -4.139) 4.811 5.390 ( 4.947 -0.367 -0.793) 5.024 5.585 ( -3.893 -5.124 3.594) 7.370 5.716 ( 10.351 -0.182 2.581) 10.669 5.841 ( -0.383 -2.280 4.293) 4.876 5.873 ( -2.981 0.918 2.700) 4.126 6.003 ( 2.532 -1.163 5.789) 6.425 6.125 ( 3.456 0.453 8.987) 9.640 6.231 ( 9.314 2.302 -1.300) 9.682 6.328 ( 7.903 -0.601 -1.273) 8.027 6.499 ( 2.004 3.494 -4.140) 5.776 6.651 ( -1.903 -8.059 -2.618) 8.684 6.789 ( 0.431 -3.588 -2.656) 4.484 6.895 ( -1.474 2.169 -4.067) 4.839 7.172 ( 1.397 -2.543 -2.291) 3.697 7.316 ( 6.634 -1.517 -0.929) 6.869 7.531 ( 10.507 2.635 -5.107) 11.976 7.674 ( 6.004 0.255 -2.420) 6.478 8.028 ( 5.610 0.519 2.192) 6.046 8.222 ( 3.258 3.108 -1.647) 4.794 8.397 ( 1.049 4.317 3.735) 5.804 8.555 ( -0.067 -0.475 -0.516) 0.704 8.712 ( -4.119 -0.582 7.593) 8.658 9.047 ( 1.281 0.278 -8.148) 8.253 9.244 ( 1.931 -1.852 -3.439) 4.357 9.363 ( 0.464 -4.559 -1.719) 4.894 9.651 ( -2.010 -2.991 7.539) 8.356 9.761 ( 5.658 -0.523 3.876) 6.878 10.188 ( 2.553 -8.720 -3.528) 9.747 10.332 ( -2.045 -9.608 -1.837) 9.994 11.012 ( -0.851 4.905 -0.096) 4.979 11.174 ( -1.843 7.441 0.658) 7.694 11.431 ( 0.537 -0.320 -10.977) 10.994 11.577 ( -1.223 3.007 -5.339) 6.249 12.093 ( -13.869 -1.748 11.431) 18.057 12.316 ( -22.246 -1.934 12.019) 25.359 15.832 ( 7.111 0.005 0.924) 7.171 15.925 ( 8.234 -1.502 2.011) 8.608 16.241 ( 2.912 6.155 -2.832) 7.375 16.451 ( 0.913 8.092 -4.282) 9.201 16.957 ( 11.048 1.641 0.295) 11.174 17.196 ( 2.326 -1.508 -4.203) 5.035 17.401 ( 0.608 -0.516 4.944) 5.008 17.674 ( 1.588 -1.836 -2.325) 3.361 17.811 ( -3.433 0.774 2.758) 4.471 18.072 ( 2.448 11.010 -5.631) 12.607 19.208 ( 2.658 -5.907 2.777) 7.048 19.463 ( 1.125 -10.784 -1.020) 10.890 19.793 ( -6.068 -2.642 4.571) 8.043 19.849 ( -3.327 -3.514 1.884) 5.192 20.053 ( -0.701 0.104 -0.544) 0.893 20.187 ( -6.172 -1.420 -2.719) 6.893 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 13.399 14.483 2.682) 19.912 1.704 ( 11.363 6.028 7.284) 14.782 1.768 ( 4.236 7.304 -3.391) 9.099 1.878 ( 2.603 3.218 2.840) 5.020 2.129 ( 0.613 6.909 -2.258) 7.294 2.215 ( 3.839 3.169 -2.961) 5.793 2.285 ( 0.905 1.101 -0.829) 1.649 2.374 ( -0.082 3.036 0.639) 3.103 2.479 ( -2.265 3.569 0.077) 4.228 2.567 ( -1.129 -0.720 1.281) 1.853 2.626 ( 2.799 0.308 -0.631) 2.886 2.702 ( -1.620 2.377 -1.003) 3.046 2.879 ( -0.819 -0.945 -0.498) 1.346 2.988 ( -5.897 2.559 -2.062) 6.751 3.168 ( 0.128 2.820 -5.005) 5.746 3.288 ( 3.367 1.175 1.309) 3.799 3.329 ( 5.209 -1.094 4.827) 7.186 3.472 ( 8.183 -1.426 3.366) 8.962 3.591 ( 6.956 0.271 1.030) 7.037 3.771 ( 4.474 2.819 -9.508) 10.879 3.832 ( 0.218 1.170 -4.512) 4.667 4.083 ( -3.290 -2.574 -1.703) 4.511 4.191 ( 7.642 3.267 2.933) 8.813 4.300 ( 6.233 6.924 0.275) 9.320 4.418 ( 1.108 0.554 -4.473) 4.641 4.515 ( 6.557 4.541 -4.368) 9.093 4.725 ( 4.080 0.575 -7.921) 8.928 4.868 ( 6.576 -0.106 -3.666) 7.530 5.009 ( 6.969 -1.548 6.686) 9.781 5.084 ( 5.085 0.606 4.929) 7.108 5.231 ( 0.306 -1.226 5.250) 5.400 5.291 ( 1.407 -3.453 1.033) 3.869 5.395 ( 3.540 0.481 3.956) 5.330 5.481 ( 1.149 -1.424 -0.813) 2.002 5.555 ( 1.723 -3.241 2.042) 4.200 5.685 ( -5.321 1.417 2.351) 5.987 5.877 ( -2.386 -4.079 4.332) 6.411 5.959 ( 7.588 -0.540 2.373) 7.968 6.068 ( 6.873 1.402 2.518) 7.452 6.230 ( 4.688 -2.363 3.899) 6.539 6.348 ( 3.879 -1.438 2.039) 4.612 6.483 ( 3.158 1.929 -3.213) 4.900 6.573 ( 9.270 -0.326 3.508) 9.917 6.690 ( 7.096 4.516 -5.587) 10.098 6.812 ( 0.293 -1.320 -7.342) 7.465 6.893 ( 4.521 4.889 1.815) 6.902 7.205 ( 0.859 -2.593 3.085) 4.121 7.374 ( -1.545 -1.949 -2.139) 3.280 7.697 ( 6.675 3.132 -0.503) 7.391 7.783 ( 4.718 1.340 -8.264) 9.610 8.160 ( 7.521 1.602 0.856) 7.737 8.274 ( 3.031 1.263 -1.172) 3.487 8.412 ( -0.174 2.078 2.876) 3.552 8.564 ( 1.604 -1.356 2.610) 3.351 8.634 ( -3.893 -1.280 5.693) 7.015 9.013 ( -5.591 -0.859 -7.682) 9.540 9.293 ( 3.384 -1.205 -3.438) 4.973 9.349 ( -0.248 -5.039 -3.119) 5.931 9.597 ( -2.998 -5.031 8.705) 10.492 9.846 ( 0.419 -1.457 -0.416) 1.573 10.268 ( 6.736 -6.687 -1.010) 9.545 10.360 ( 4.753 -1.586 -0.722) 5.063 10.979 ( -1.671 5.538 3.170) 6.596 11.188 ( 2.649 2.257 0.697) 3.549 11.368 ( -7.374 0.080 -3.976) 8.378 11.560 ( -1.227 0.275 -1.959) 2.327 11.833 ( -12.086 -2.340 3.701) 12.854 11.969 ( -13.820 -0.864 2.932) 14.154 15.964 ( 6.710 2.716 0.302) 7.246 16.086 ( 7.289 -0.095 1.279) 7.401 16.278 ( 1.997 5.885 -1.573) 6.411 16.472 ( 0.584 4.974 -0.709) 5.058 17.144 ( 7.929 0.182 -2.760) 8.397 17.235 ( 3.431 0.298 -2.801) 4.439 17.440 ( 1.054 -3.007 4.089) 5.184 17.669 ( -3.283 -6.415 -2.489) 7.624 17.768 ( 1.865 4.711 5.322) 7.348 18.098 ( -0.259 10.686 -2.943) 11.086 19.263 ( 2.711 -5.408 -0.125) 6.051 19.436 ( -3.266 -5.093 -1.823) 6.319 19.699 ( -3.000 -1.780 3.616) 5.025 19.813 ( -1.039 -5.789 1.724) 6.129 20.034 ( -1.459 -0.054 -0.790) 1.660 20.068 ( -5.627 -1.063 -1.921) 6.041 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 9.155 12.295 -0.603) 15.341 1.717 ( -3.854 10.097 -3.194) 11.270 1.898 ( 4.680 4.596 4.267) 7.825 1.949 ( 0.854 5.778 4.159) 7.170 2.182 ( 6.939 5.090 -0.519) 8.621 2.283 ( 1.486 0.580 -0.642) 1.719 2.305 ( 1.343 1.681 -0.818) 2.302 2.340 ( -3.634 2.363 1.232) 4.506 2.419 ( -0.835 4.059 0.780) 4.216 2.494 ( -5.877 1.181 0.212) 5.999 2.681 ( 2.445 1.504 -2.396) 3.739 2.693 ( 0.801 2.407 -1.871) 3.152 2.841 ( -1.442 -0.297 -0.730) 1.643 2.882 ( -4.909 1.287 -2.231) 5.544 3.199 ( 2.596 -1.391 -6.522) 7.156 3.257 ( -3.208 -2.621 -3.143) 5.200 3.426 ( 7.462 3.373 -0.123) 8.189 3.589 ( -5.981 4.145 -2.989) 7.867 3.725 ( 5.449 2.711 -3.097) 6.829 3.791 ( -2.267 -0.227 -0.458) 2.324 3.900 ( 11.402 1.523 2.111) 11.695 4.038 ( -1.985 -0.086 -1.942) 2.778 4.277 ( 1.725 -0.509 4.151) 4.524 4.323 ( -2.717 -1.943 2.707) 4.300 4.495 ( 6.229 5.621 -9.030) 12.326 4.580 ( -1.473 5.152 -9.786) 11.157 4.835 ( 8.605 0.512 2.096) 8.872 4.965 ( -1.609 -1.487 2.931) 3.660 5.081 ( 3.292 1.433 3.218) 4.821 5.155 ( -4.322 -2.842 1.508) 5.388 5.190 ( 5.971 -1.679 0.320) 6.211 5.303 ( -2.798 -2.053 -0.039) 3.470 5.453 ( 2.695 -2.382 5.925) 6.931 5.490 ( -0.816 -2.434 3.544) 4.376 5.629 ( 5.844 1.434 2.046) 6.356 5.667 ( 3.868 1.640 1.827) 4.581 5.775 ( -4.332 -0.253 4.537) 6.278 5.915 ( -12.589 -0.886 1.724) 12.737 6.228 ( 11.288 -2.498 -1.147) 11.618 6.340 ( 2.404 -2.894 1.704) 4.130 6.381 ( 2.721 -5.011 -0.815) 5.760 6.521 ( -4.781 0.831 -6.385) 8.020 6.738 ( 8.611 5.376 0.598) 10.169 6.825 ( 0.852 5.745 -0.963) 5.888 6.846 ( 10.678 2.357 2.372) 11.190 7.040 ( 2.292 -1.679 3.516) 4.520 7.162 ( -1.099 0.543 4.734) 4.890 7.283 ( -6.769 2.430 -1.240) 7.298 7.791 ( 3.424 3.071 -1.914) 4.981 7.826 ( -0.099 3.076 -8.084) 8.650 8.268 ( 3.895 -0.244 3.972) 5.569 8.321 ( -0.836 -0.917 1.180) 1.712 8.433 ( 4.795 2.213 1.145) 5.404 8.539 ( -5.303 0.284 3.624) 6.429 8.660 ( 7.836 -2.533 -1.941) 8.461 8.848 ( -10.673 -1.476 -5.846) 12.258 9.336 ( 2.334 -3.806 -1.323) 4.657 9.379 ( -0.375 -3.343 -2.184) 4.011 9.599 ( 5.553 -5.322 3.272) 8.359 9.757 ( -8.440 -4.393 -1.591) 9.646 10.419 ( 6.765 -0.740 1.045) 6.885 10.453 ( 3.133 1.876 0.843) 3.748 10.989 ( 3.742 4.292 3.248) 6.556 11.136 ( -10.178 0.664 -0.483) 10.211 11.311 ( 5.381 -0.174 3.989) 6.701 11.460 ( -8.934 -1.776 3.333) 9.700 11.724 ( 0.683 -1.859 -4.276) 4.712 11.791 ( -5.928 -1.768 -3.429) 7.073 16.077 ( 4.954 4.548 -0.563) 6.749 16.141 ( -1.269 4.415 -1.366) 4.793 16.359 ( 5.952 2.238 2.091) 6.694 16.451 ( -3.099 2.621 1.355) 4.279 17.245 ( 4.485 -1.161 -1.299) 4.811 17.318 ( -0.118 -0.705 -2.856) 2.944 17.436 ( 3.589 -2.722 -0.452) 4.527 17.566 ( -7.117 -4.659 -3.339) 9.138 17.890 ( 9.010 6.126 5.634) 12.266 18.042 ( -5.914 8.288 1.964) 10.370 19.306 ( 2.330 -4.647 -3.643) 6.348 19.366 ( -3.790 -3.837 -3.578) 6.472 19.701 ( 2.972 -2.122 4.683) 5.939 19.775 ( -3.582 -3.379 3.530) 6.059 19.996 ( -1.031 -1.491 -1.623) 2.433 20.008 ( -1.582 -1.304 -1.332) 2.445 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 17.078 15.135) 22.820 1.080 ( 0.000 22.451 4.673) 22.932 1.786 ( 0.000 4.615 -4.178) 6.225 1.887 ( 0.000 3.361 -0.339) 3.378 1.974 ( 0.000 4.930 -6.685) 8.306 2.066 ( 0.000 10.415 11.305) 15.371 2.106 ( 0.000 1.816 10.877) 11.028 2.300 ( 0.000 -1.811 -3.152) 3.635 2.399 ( 0.000 1.408 -10.584) 10.678 2.497 ( 0.000 0.243 6.084) 6.089 2.627 ( 0.000 -3.157 -0.795) 3.255 2.808 ( 0.000 5.205 0.303) 5.214 2.944 ( 0.000 5.059 2.887) 5.825 3.033 ( 0.000 1.164 3.143) 3.351 3.144 ( 0.000 5.359 -1.956) 5.705 3.196 ( 0.000 3.756 5.863) 6.964 3.244 ( 0.000 1.876 0.126) 1.881 3.407 ( 0.000 -1.700 -3.886) 4.241 3.545 ( 0.000 -1.390 -1.846) 2.311 3.604 ( 0.000 -0.128 -2.539) 2.542 3.719 ( 0.000 4.898 1.884) 5.248 3.760 ( 0.000 6.810 6.403) 9.347 3.922 ( 0.000 7.108 1.863) 7.348 4.143 ( 0.000 -9.352 9.559) 13.373 4.293 ( 0.000 -4.605 2.250) 5.125 4.365 ( 0.000 1.803 -4.912) 5.233 4.537 ( 0.000 5.842 -5.581) 8.080 4.615 ( 0.000 6.713 0.317) 6.720 4.821 ( 0.000 8.524 3.829) 9.344 4.901 ( 0.000 -2.760 -5.551) 6.199 5.022 ( 0.000 -3.106 -4.386) 5.375 5.142 ( 0.000 -1.467 -5.717) 5.902 5.317 ( 0.000 -2.558 1.728) 3.087 5.427 ( 0.000 7.559 -3.548) 8.350 5.512 ( 0.000 -7.734 0.689) 7.765 5.657 ( 0.000 -3.394 -3.214) 4.674 5.755 ( 0.000 1.251 -0.103) 1.255 5.797 ( 0.000 -0.709 0.371) 0.800 5.917 ( 0.000 -1.686 1.122) 2.025 5.961 ( 0.000 -1.726 -2.172) 2.774 6.013 ( 0.000 -3.549 3.269) 4.825 6.189 ( 0.000 -10.474 4.648) 11.459 6.345 ( 0.000 -5.916 -1.380) 6.075 6.601 ( 0.000 -4.092 -8.672) 9.589 6.681 ( 0.000 5.369 -3.491) 6.404 6.929 ( 0.000 0.414 -1.370) 1.431 7.077 ( 0.000 -3.053 1.749) 3.519 7.174 ( 0.000 -3.427 -1.646) 3.802 7.330 ( 0.000 4.224 3.464) 5.462 7.477 ( 0.000 -1.170 1.361) 1.794 7.997 ( 0.000 3.094 -0.254) 3.104 8.167 ( 0.000 -0.529 1.628) 1.711 8.538 ( 0.000 7.217 1.788) 7.435 8.672 ( 0.000 1.204 -2.574) 2.842 8.756 ( 0.000 2.753 1.742) 3.258 8.949 ( 0.000 0.753 -2.523) 2.633 9.135 ( 0.000 -1.893 -1.824) 2.629 9.301 ( 0.000 0.276 0.600) 0.660 9.568 ( 0.000 -1.844 0.953) 2.076 9.665 ( 0.000 -4.069 -3.891) 5.630 9.886 ( 0.000 -14.448 -3.458) 14.856 10.067 ( 0.000 -18.883 0.519) 18.890 11.216 ( 0.000 9.823 -3.214) 10.335 11.397 ( 0.000 4.312 -10.916) 11.737 11.485 ( 0.000 6.631 -4.821) 8.198 11.698 ( 0.000 1.658 -6.388) 6.599 12.383 ( 0.000 0.124 17.891) 17.891 12.747 ( 0.000 -13.815 15.482) 20.750 15.658 ( 0.000 0.611 0.159) 0.632 15.715 ( 0.000 -1.809 0.610) 1.909 16.260 ( 0.000 9.046 2.360) 9.349 16.555 ( 0.000 0.047 -4.975) 4.975 16.715 ( 0.000 4.052 2.572) 4.800 16.976 ( 0.000 -3.723 -3.316) 4.985 17.657 ( 0.000 0.712 -0.605) 0.934 17.688 ( 0.000 -0.885 -1.321) 1.590 17.952 ( 0.000 10.953 -0.696) 10.975 18.185 ( 0.000 14.095 -9.605) 17.057 18.922 ( 0.000 -17.297 11.181) 20.597 18.994 ( 0.000 -9.785 2.597) 10.124 19.867 ( 0.000 -0.871 2.101) 2.275 20.008 ( 0.000 -4.270 2.010) 4.719 20.064 ( 0.000 2.519 -0.489) 2.566 20.247 ( 0.000 -2.562 -1.222) 2.839 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 10.413 20.189 4.174) 23.096 1.264 ( 20.481 13.599 11.050) 26.954 1.785 ( 0.706 4.312 -3.962) 5.898 1.881 ( 0.230 2.360 1.664) 2.897 2.039 ( 6.160 6.163 -3.004) 9.217 2.122 ( 4.564 2.112 4.183) 6.541 2.210 ( 8.881 5.250 7.443) 12.721 2.327 ( 3.633 2.919 -0.305) 4.670 2.411 ( 1.603 0.693 -9.338) 9.500 2.494 ( 0.129 2.528 5.808) 6.335 2.626 ( -0.129 -3.258 -0.641) 3.323 2.798 ( -1.090 3.912 -0.188) 4.066 2.981 ( 0.548 4.938 2.925) 5.765 3.057 ( 4.083 1.976 0.113) 4.537 3.149 ( 0.065 0.713 3.988) 4.052 3.197 ( 1.233 5.691 1.513) 6.016 3.283 ( 2.114 0.820 -1.414) 2.672 3.382 ( -1.172 0.900 -1.128) 1.859 3.529 ( -1.253 0.995 -2.702) 3.140 3.620 ( 2.054 -0.916 -2.839) 3.622 3.756 ( 3.239 4.497 -0.372) 5.554 3.817 ( 4.626 3.037 3.282) 6.434 3.995 ( 8.873 7.374 6.283) 13.138 4.180 ( 3.636 -5.881 8.248) 10.763 4.319 ( 2.293 -2.755 -3.442) 4.969 4.446 ( 8.498 -1.982 0.607) 8.748 4.559 ( 1.156 7.180 -4.930) 8.786 4.671 ( 5.856 4.644 -2.781) 7.974 4.811 ( -1.073 4.252 -1.068) 4.514 4.941 ( 4.897 0.533 1.323) 5.101 5.065 ( 2.612 -1.672 -2.545) 4.012 5.164 ( 1.675 -1.551 -6.213) 6.620 5.305 ( -0.985 -2.372 -2.073) 3.300 5.403 ( 0.016 4.324 -1.013) 4.441 5.522 ( 3.792 -1.168 4.329) 5.873 5.629 ( -1.996 -3.235 -2.809) 4.726 5.781 ( -2.235 -1.126 2.168) 3.311 5.831 ( 5.148 -0.695 0.630) 5.233 5.953 ( 0.924 -1.207 0.878) 1.755 6.020 ( 5.818 -5.580 -0.032) 8.061 6.094 ( 7.530 -1.694 2.781) 8.204 6.212 ( 2.380 -4.805 2.279) 5.826 6.344 ( 3.336 -7.634 0.091) 8.332 6.593 ( 1.100 1.024 -7.302) 7.455 6.706 ( -1.234 -0.578 -3.342) 3.609 6.945 ( 3.412 2.579 -1.973) 4.710 7.057 ( -1.820 -4.542 0.187) 4.897 7.241 ( 5.526 -0.756 -3.665) 6.674 7.380 ( 5.652 2.096 3.236) 6.841 7.537 ( 5.570 -1.768 1.581) 6.054 8.004 ( 0.892 3.181 0.180) 3.309 8.173 ( 1.668 -1.227 -1.049) 2.322 8.537 ( -0.682 6.976 0.889) 7.065 8.629 ( -3.259 2.372 -1.799) 4.414 8.777 ( 0.837 3.590 3.516) 5.094 9.004 ( 4.600 0.602 -3.024) 5.537 9.143 ( 1.156 -2.865 -1.808) 3.580 9.298 ( -0.826 -1.470 -0.181) 1.696 9.578 ( 0.896 -3.510 0.650) 3.680 9.673 ( 1.438 -2.228 1.053) 2.853 9.912 ( 2.592 -12.944 -3.332) 13.615 10.061 ( 0.054 -17.402 -0.104) 17.402 11.196 ( -2.017 9.433 -2.774) 10.037 11.376 ( -2.424 4.940 -8.042) 9.745 11.468 ( -1.295 4.675 -6.156) 7.838 11.668 ( -2.845 0.977 -5.728) 6.470 12.296 ( -8.961 -0.121 15.715) 18.091 12.585 ( -15.303 -9.564 13.943) 22.805 15.708 ( 5.283 0.865 0.929) 5.434 15.770 ( 5.644 -1.144 0.494) 5.780 16.305 ( 3.665 7.720 0.908) 8.594 16.560 ( 0.770 1.538 -5.590) 5.848 16.810 ( 8.908 3.329 2.491) 9.830 17.037 ( 5.876 -3.909 -2.743) 7.572 17.543 ( -9.181 2.667 1.344) 9.655 17.656 ( -2.682 -1.496 -1.348) 3.354 17.954 ( -0.770 9.283 1.184) 9.390 18.237 ( 4.186 12.617 -9.154) 16.141 18.954 ( 2.222 -16.090 7.128) 17.737 19.068 ( 7.710 -11.170 2.759) 13.850 19.827 ( -3.975 -1.384 2.181) 4.741 19.933 ( -6.755 -3.162 1.689) 7.648 20.070 ( 0.218 1.922 -0.312) 1.959 20.230 ( -2.151 -2.350 -1.689) 3.606 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 14.248 16.914 2.213) 22.226 1.623 ( 16.022 11.583 9.027) 21.734 1.830 ( 4.220 4.712 -1.925) 6.612 1.904 ( 1.971 3.325 2.149) 4.423 2.143 ( 3.141 1.052 -1.561) 3.662 2.219 ( 6.167 0.905 -2.697) 6.791 2.328 ( 2.402 3.101 -3.983) 5.590 2.409 ( 2.947 1.913 0.010) 3.513 2.490 ( 3.546 3.167 -2.952) 5.596 2.547 ( 5.885 5.910 4.819) 9.632 2.627 ( 1.533 0.112 2.196) 2.681 2.774 ( -0.717 3.516 -0.674) 3.651 2.945 ( -2.944 4.095 1.527) 5.269 3.115 ( -0.665 3.427 0.254) 3.500 3.192 ( 5.072 1.111 2.644) 5.827 3.230 ( 2.338 1.031 0.394) 2.586 3.279 ( -0.962 -0.009 -0.470) 1.071 3.385 ( 0.436 2.695 2.873) 3.963 3.539 ( 2.911 3.204 -2.151) 4.834 3.676 ( 3.850 -1.027 -4.193) 5.784 3.808 ( 2.827 0.803 -3.677) 4.707 3.971 ( 11.133 2.938 3.052) 11.912 4.174 ( 5.555 2.812 1.323) 6.365 4.294 ( 8.350 0.855 6.495) 10.613 4.384 ( 5.094 0.833 -4.186) 6.645 4.532 ( -1.401 3.613 -4.473) 5.918 4.634 ( 7.375 -0.615 -1.845) 7.627 4.797 ( 4.763 0.199 -3.871) 6.141 4.846 ( 6.707 3.707 -0.476) 7.678 5.013 ( 1.523 -0.066 2.444) 2.880 5.118 ( 5.207 -0.773 2.166) 5.692 5.221 ( 4.272 0.983 -0.984) 4.493 5.358 ( 4.543 -2.716 -2.055) 5.678 5.404 ( 0.222 1.826 -2.121) 2.807 5.529 ( -2.972 -0.693 0.921) 3.187 5.676 ( 4.372 -3.370 1.133) 5.635 5.751 ( 0.963 -5.188 4.640) 7.027 5.879 ( 0.337 0.608 0.029) 0.696 6.008 ( 4.616 -1.072 2.579) 5.395 6.103 ( 3.606 -3.013 5.717) 7.401 6.236 ( 7.011 -0.350 2.210) 7.359 6.325 ( 9.168 -0.886 0.473) 9.223 6.491 ( 9.783 -1.924 -3.469) 10.557 6.615 ( -0.590 2.484 0.071) 2.554 6.691 ( 4.229 -2.944 -4.681) 6.961 6.995 ( 0.141 3.459 -1.892) 3.945 7.076 ( 4.436 -3.484 0.173) 5.643 7.314 ( 2.244 0.626 0.219) 2.340 7.554 ( 11.471 -0.830 -4.551) 12.369 7.658 ( 6.788 -1.656 1.097) 7.073 8.054 ( 4.969 2.140 -1.092) 5.520 8.234 ( 3.828 -2.192 -3.817) 5.833 8.500 ( -2.861 5.729 0.158) 6.406 8.581 ( -1.806 2.161 -0.305) 2.833 8.750 ( -3.463 5.163 5.169) 8.085 9.070 ( 0.884 1.952 -4.037) 4.571 9.185 ( 3.179 -3.434 -1.884) 5.045 9.263 ( -2.301 -4.769 -1.700) 5.562 9.558 ( -3.288 -5.994 6.764) 9.617 9.751 ( 4.967 -1.009 0.242) 5.074 9.966 ( 4.351 -11.953 -0.228) 12.722 10.124 ( 7.367 -10.147 -1.086) 12.586 11.149 ( -2.634 8.191 -1.675) 8.765 11.311 ( -3.823 5.543 -2.881) 7.324 11.442 ( -1.883 1.232 -7.302) 7.641 11.606 ( -3.349 -0.445 -4.309) 5.475 12.066 ( -14.569 -0.675 11.095) 18.325 12.248 ( -18.723 -4.719 9.085) 21.339 15.850 ( 9.312 1.798 1.353) 9.580 15.915 ( 9.275 0.111 0.899) 9.319 16.367 ( 2.548 6.401 -0.545) 6.911 16.577 ( 0.612 3.319 -5.113) 6.126 17.005 ( 10.541 3.024 0.835) 10.998 17.160 ( 5.918 -2.002 -2.498) 6.728 17.398 ( -4.752 0.642 4.087) 6.301 17.599 ( -3.297 -4.679 -1.122) 5.833 17.922 ( -1.771 9.439 3.288) 10.151 18.306 ( 2.679 11.514 -7.950) 14.247 19.007 ( 3.495 -13.747 5.580) 15.242 19.223 ( 6.969 -11.372 -0.197) 13.339 19.736 ( -4.877 -2.201 1.947) 5.694 19.791 ( -7.343 -3.145 1.287) 8.091 20.065 ( -0.901 1.293 -0.570) 1.676 20.161 ( -4.897 -1.192 -1.826) 5.360 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 11.750 14.307 0.891) 18.535 1.859 ( 8.187 8.676 7.331) 14.001 1.933 ( 5.465 7.798 -1.355) 9.618 1.966 ( 5.827 4.782 2.708) 8.010 2.192 ( 2.966 -0.791 -1.954) 3.638 2.303 ( 2.176 2.263 -1.702) 3.571 2.333 ( -0.777 6.227 -4.569) 7.763 2.457 ( 1.507 1.390 1.365) 2.463 2.515 ( -0.745 1.014 0.626) 1.405 2.571 ( -0.917 4.150 -0.878) 4.340 2.669 ( 2.737 3.871 -2.661) 5.437 2.783 ( -0.770 4.754 -0.508) 4.843 2.888 ( -3.104 1.791 0.434) 3.610 3.038 ( -6.066 2.862 -1.073) 6.793 3.213 ( -2.519 -0.825 -2.468) 3.622 3.277 ( 0.098 -0.469 -0.623) 0.786 3.324 ( 4.523 1.499 0.872) 4.844 3.518 ( 15.182 4.828 5.011) 16.701 3.612 ( 4.901 1.126 2.161) 5.473 3.760 ( 4.688 -1.094 -4.865) 6.844 3.888 ( 5.401 -0.096 -2.926) 6.143 4.076 ( -4.126 4.396 -3.506) 6.974 4.251 ( 5.115 1.025 0.980) 5.308 4.348 ( -2.455 -0.717 -0.563) 2.619 4.494 ( 6.251 5.976 -2.126) 8.905 4.600 ( 6.651 2.315 -3.231) 7.748 4.719 ( 2.980 -1.022 -4.684) 5.645 4.861 ( 3.739 -1.630 -3.251) 5.216 5.002 ( 7.885 1.245 3.684) 8.792 5.071 ( 4.176 -1.551 1.156) 4.603 5.208 ( 3.457 -1.504 2.415) 4.477 5.250 ( -2.846 0.723 6.700) 7.315 5.402 ( 1.455 0.413 -2.580) 2.991 5.438 ( 3.500 -1.532 -1.335) 4.047 5.551 ( 3.979 1.417 0.717) 4.284 5.688 ( -2.050 -1.131 -0.823) 2.482 5.782 ( 1.543 -4.503 3.983) 6.207 5.920 ( 3.749 -1.772 2.848) 5.031 6.076 ( 1.792 -2.528 0.137) 3.102 6.203 ( 5.700 -1.709 3.992) 7.166 6.302 ( 1.619 1.229 7.048) 7.335 6.515 ( 5.228 -1.328 -9.542) 10.961 6.558 ( 6.164 -0.879 7.538) 9.777 6.782 ( 12.895 4.420 -2.474) 13.854 6.814 ( 7.583 2.919 -2.226) 8.425 7.012 ( 2.453 2.439 1.607) 3.814 7.138 ( 1.158 -0.957 3.835) 4.118 7.339 ( 0.535 -1.152 0.332) 1.313 7.747 ( 7.622 0.872 -1.503) 7.818 7.799 ( 8.269 0.374 -7.354) 11.072 8.180 ( 6.629 0.109 -3.489) 7.492 8.284 ( 1.511 -1.541 -3.935) 4.488 8.453 ( -1.599 2.969 1.422) 3.660 8.559 ( 0.165 0.997 0.939) 1.379 8.667 ( -5.001 5.096 4.712) 8.554 9.009 ( -6.973 0.510 -5.198) 8.712 9.211 ( -0.568 -6.590 -0.502) 6.634 9.279 ( 3.803 -0.962 -2.552) 4.680 9.477 ( -4.123 -6.732 8.127) 11.330 9.758 ( -3.773 -7.755 -2.180) 8.895 10.156 ( 14.262 -3.016 2.795) 14.843 10.311 ( 11.245 -3.528 0.285) 11.789 11.104 ( -2.084 6.670 -0.651) 7.018 11.248 ( -3.123 3.175 -1.419) 4.674 11.376 ( -5.168 0.784 -2.442) 5.770 11.547 ( -3.519 -1.853 -1.912) 4.413 11.789 ( -12.780 -1.573 5.035) 13.826 11.926 ( -14.115 -3.419 2.519) 14.740 16.035 ( 9.521 3.948 0.915) 10.347 16.105 ( 10.156 1.569 0.969) 10.322 16.396 ( 0.532 5.850 -0.282) 5.881 16.568 ( -1.853 3.427 -2.276) 4.512 17.158 ( 4.487 1.430 -1.771) 5.032 17.246 ( 4.638 0.850 -2.471) 5.323 17.373 ( 0.040 -3.382 2.691) 4.322 17.528 ( -3.841 -7.059 -0.464) 8.050 17.933 ( 4.003 11.379 4.870) 13.009 18.326 ( -0.987 11.511 -4.848) 12.529 19.072 ( 3.006 -13.133 2.931) 13.788 19.287 ( -0.579 -9.662 -1.841) 9.853 19.664 ( -2.663 -1.522 1.817) 3.565 19.705 ( -0.523 -4.145 1.708) 4.514 20.034 ( -2.391 0.160 -1.004) 2.598 20.057 ( -5.583 -0.092 -1.423) 5.762 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 6.511 11.849 0.526) 13.530 1.922 ( -0.286 8.817 2.116) 9.071 2.026 ( 4.018 6.973 0.394) 8.057 2.065 ( 1.400 5.143 1.647) 5.578 2.266 ( 4.683 2.062 -1.544) 5.345 2.315 ( -0.232 3.558 -0.585) 3.613 2.348 ( 2.509 2.266 0.101) 3.382 2.419 ( -4.427 3.578 -0.564) 5.720 2.508 ( 0.365 4.891 1.078) 5.022 2.544 ( -1.836 5.690 1.969) 6.295 2.740 ( 1.870 4.480 -0.336) 4.866 2.762 ( 0.670 3.737 -3.133) 4.923 2.836 ( -0.422 0.151 -0.855) 0.966 2.917 ( -6.263 2.610 -3.538) 7.652 3.178 ( -0.195 -1.181 -1.652) 2.040 3.216 ( -3.729 -1.776 -1.674) 4.457 3.494 ( 10.631 3.525 -1.220) 11.266 3.625 ( -1.262 0.498 -1.849) 2.293 3.758 ( 4.198 0.189 -1.756) 4.555 3.859 ( -6.723 1.527 -3.769) 7.857 3.934 ( 11.022 4.373 -0.286) 11.862 4.050 ( 2.461 2.685 -1.758) 4.045 4.233 ( -2.250 -3.917 0.553) 4.551 4.301 ( -4.966 0.149 1.727) 5.260 4.600 ( 4.754 3.780 -6.069) 8.586 4.658 ( -0.861 2.107 -6.605) 6.986 4.822 ( 7.725 -2.362 1.756) 8.267 4.917 ( -0.305 -4.124 -0.920) 4.236 5.111 ( 2.172 1.215 1.280) 2.799 5.134 ( 1.857 0.353 2.704) 3.299 5.183 ( -0.084 0.990 4.018) 4.139 5.240 ( -1.435 -2.977 2.568) 4.186 5.429 ( 2.451 0.666 0.198) 2.547 5.481 ( -1.200 2.656 -2.793) 4.037 5.624 ( 4.279 -1.855 0.988) 4.768 5.683 ( 0.697 -1.181 0.454) 1.445 5.778 ( 1.325 1.345 3.782) 4.227 5.898 ( -7.542 -0.673 2.305) 7.915 6.163 ( 7.232 -3.244 0.782) 7.965 6.258 ( -2.053 -5.319 0.741) 5.750 6.355 ( 7.230 2.783 4.334) 8.877 6.506 ( -5.192 -1.428 -3.632) 6.495 6.754 ( 10.970 -3.048 6.949) 13.338 6.913 ( -1.884 -1.265 2.337) 3.258 6.958 ( 6.668 7.138 0.025) 9.768 7.044 ( -0.926 5.366 1.318) 5.602 7.191 ( 7.043 1.864 2.586) 7.731 7.314 ( -4.083 0.127 0.618) 4.132 7.864 ( 5.037 4.136 -2.960) 7.158 7.907 ( 1.694 4.762 -10.202) 11.385 8.239 ( 1.649 -3.080 0.551) 3.536 8.290 ( -2.469 -2.834 -2.206) 4.358 8.480 ( 4.376 2.605 1.359) 5.271 8.569 ( -4.938 3.669 2.930) 6.814 8.631 ( 8.092 -0.068 -1.569) 8.243 8.831 ( -11.185 -0.140 -4.876) 12.203 9.225 ( 2.211 -6.679 1.553) 7.205 9.286 ( -3.327 -5.792 2.060) 6.990 9.494 ( 6.453 -4.362 0.800) 7.830 9.643 ( -7.839 -6.599 -2.270) 10.495 10.420 ( 11.399 1.043 3.988) 12.121 10.489 ( 5.059 1.378 2.951) 6.017 11.076 ( -0.184 3.573 -2.102) 4.150 11.146 ( -7.172 0.439 -3.432) 7.963 11.321 ( 1.315 1.262 4.740) 5.079 11.420 ( -8.438 -1.745 3.926) 9.469 11.674 ( 0.219 -2.917 -2.872) 4.099 11.737 ( -6.219 -3.561 -2.589) 7.620 16.192 ( 6.632 6.404 -0.144) 9.220 16.248 ( 2.582 5.755 -0.967) 6.381 16.411 ( 2.886 2.689 2.113) 4.475 16.503 ( -4.900 2.056 0.875) 5.385 17.218 ( 3.434 -1.382 -0.607) 3.752 17.295 ( -3.426 -1.734 -0.885) 3.941 17.376 ( 4.323 -2.650 -2.480) 5.645 17.464 ( -3.787 -5.066 -2.311) 6.734 18.075 ( 9.876 12.228 4.754) 16.422 18.250 ( -7.290 12.272 0.796) 14.296 19.130 ( 3.823 -12.964 -1.589) 13.609 19.222 ( -5.219 -10.894 -3.110) 12.473 19.669 ( 2.769 -0.650 3.538) 4.540 19.714 ( -0.572 -2.029 3.091) 3.741 19.973 ( -1.957 -0.737 -1.717) 2.706 19.987 ( -2.517 -0.724 -1.682) 3.112 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 17.786 9.933) 20.371 1.511 ( 0.000 17.964 -1.599) 18.035 1.743 ( 0.000 -11.828 5.820) 13.182 1.848 ( 0.000 -5.743 -4.687) 7.413 1.975 ( 0.000 0.494 -1.213) 1.309 2.000 ( 0.000 -3.316 -4.143) 5.306 2.191 ( 0.000 -0.347 -1.609) 1.646 2.247 ( 0.000 -3.621 -4.164) 5.518 2.510 ( 0.000 5.002 -2.226) 5.475 2.568 ( 0.000 -1.322 -0.595) 1.450 2.744 ( 0.000 16.894 12.022) 20.735 2.911 ( 0.000 1.190 -0.222) 1.210 3.025 ( 0.000 5.720 1.787) 5.992 3.068 ( 0.000 3.654 -0.192) 3.659 3.166 ( 0.000 -3.773 -2.032) 4.285 3.189 ( 0.000 -5.613 3.576) 6.655 3.282 ( 0.000 3.122 -0.741) 3.208 3.399 ( 0.000 -7.053 -1.150) 7.146 3.509 ( 0.000 5.261 -4.764) 7.097 3.603 ( 0.000 -2.035 -2.157) 2.966 3.805 ( 0.000 4.248 7.091) 8.266 3.865 ( 0.000 1.180 9.760) 9.831 4.009 ( 0.000 4.010 13.115) 13.715 4.120 ( 0.000 3.429 1.517) 3.749 4.168 ( 0.000 -3.092 8.346) 8.900 4.304 ( 0.000 -7.162 -2.902) 7.728 4.682 ( 0.000 6.047 -6.020) 8.533 4.784 ( 0.000 -2.120 -3.920) 4.457 4.804 ( 0.000 7.743 -3.232) 8.391 4.988 ( 0.000 -3.227 -5.288) 6.195 5.031 ( 0.000 7.749 0.926) 7.804 5.094 ( 0.000 1.039 -3.971) 4.105 5.226 ( 0.000 -5.137 -0.944) 5.223 5.305 ( 0.000 -11.477 2.349) 11.715 5.563 ( 0.000 5.271 -5.145) 7.366 5.621 ( 0.000 -0.781 -2.026) 2.171 5.726 ( 0.000 -0.467 -0.394) 0.611 5.810 ( 0.000 -4.466 1.501) 4.712 5.848 ( 0.000 0.205 2.864) 2.871 5.903 ( 0.000 -2.115 2.574) 3.331 6.034 ( 0.000 1.957 1.753) 2.627 6.067 ( 0.000 -2.527 3.357) 4.202 6.297 ( 0.000 2.714 -6.987) 7.496 6.438 ( 0.000 -9.317 -6.690) 11.471 6.850 ( 0.000 7.802 -7.451) 10.789 6.936 ( 0.000 -0.636 -4.193) 4.241 7.032 ( 0.000 -0.936 1.222) 1.540 7.074 ( 0.000 -5.020 -0.192) 5.023 7.410 ( 0.000 3.182 2.032) 3.775 7.454 ( 0.000 -1.448 1.085) 1.809 8.071 ( 0.000 3.846 1.550) 4.147 8.136 ( 0.000 -2.496 2.927) 3.846 8.642 ( 0.000 3.220 2.074) 3.830 8.678 ( 0.000 -0.370 1.229) 1.283 8.832 ( 0.000 3.990 1.507) 4.265 8.908 ( 0.000 -3.812 2.914) 4.799 9.188 ( 0.000 6.694 -6.523) 9.346 9.306 ( 0.000 -1.878 -4.214) 4.614 9.520 ( 0.000 -1.669 -1.965) 2.578 9.588 ( 0.000 -3.896 -1.530) 4.186 9.683 ( 0.000 -4.091 -0.095) 4.093 9.752 ( 0.000 -10.752 0.003) 10.752 11.383 ( 0.000 6.140 -5.873) 8.497 11.442 ( 0.000 -0.011 -9.060) 9.060 11.593 ( 0.000 4.781 -3.983) 6.223 11.677 ( 0.000 -3.228 -4.110) 5.226 12.416 ( 0.000 3.478 14.986) 15.384 12.531 ( 0.000 -8.235 13.981) 16.226 15.674 ( 0.000 0.838 0.396) 0.927 15.690 ( 0.000 -0.885 0.615) 1.077 16.417 ( 0.000 6.534 0.729) 6.575 16.517 ( 0.000 -3.582 -1.638) 3.939 16.801 ( 0.000 4.584 1.695) 4.887 16.893 ( 0.000 -4.532 -0.401) 4.549 17.657 ( 0.000 -0.063 -0.157) 0.169 17.666 ( 0.000 -0.946 -0.344) 1.007 18.202 ( 0.000 13.524 1.014) 13.562 18.389 ( 0.000 1.306 -4.739) 4.915 18.666 ( 0.000 -4.101 4.389) 6.007 18.790 ( 0.000 -10.334 -0.274) 10.338 19.871 ( 0.000 1.315 1.063) 1.691 19.921 ( 0.000 -3.687 0.526) 3.724 20.127 ( 0.000 3.303 -0.137) 3.306 20.191 ( 0.000 -3.053 -0.867) 3.174 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 12.225 13.513 7.558) 19.727 1.606 ( 9.724 17.921 0.324) 20.391 1.764 ( 3.121 -6.992 4.098) 8.685 1.910 ( 4.331 -2.410 -1.273) 5.117 2.004 ( 3.873 -5.686 -4.005) 7.961 2.031 ( 2.749 -4.285 -1.742) 5.381 2.259 ( 6.823 1.371 -2.328) 7.338 2.310 ( 6.471 -2.938 -2.750) 7.620 2.506 ( -0.297 4.472 -2.903) 5.340 2.565 ( -0.242 -1.857 -1.603) 2.465 2.757 ( 1.061 15.379 10.463) 18.630 2.887 ( -1.780 2.338 -1.638) 3.364 3.046 ( -0.254 2.474 0.095) 2.489 3.100 ( 2.443 1.368 0.758) 2.901 3.150 ( 1.615 -1.264 2.049) 2.899 3.225 ( 1.628 -4.180 0.172) 4.489 3.299 ( 2.024 4.810 -0.746) 5.272 3.410 ( 0.720 -2.798 -0.118) 2.891 3.534 ( 2.430 1.318 -4.318) 5.127 3.598 ( -0.088 -2.095 -1.567) 2.617 3.829 ( 2.216 5.498 8.897) 10.691 3.907 ( 4.741 2.362 5.600) 7.708 4.064 ( 4.084 1.109 6.784) 7.995 4.158 ( 4.487 -1.058 2.749) 5.368 4.239 ( 7.280 0.989 5.964) 9.463 4.360 ( 6.978 -6.366 3.419) 10.045 4.708 ( -0.450 4.202 -4.678) 6.304 4.744 ( 0.502 1.765 -5.602) 5.895 4.858 ( 3.540 4.104 -5.223) 7.527 4.979 ( -1.624 -5.111 -3.747) 6.542 5.080 ( 4.948 8.294 1.097) 9.720 5.151 ( 5.523 1.598 -4.721) 7.440 5.232 ( 2.077 -2.623 -1.996) 3.896 5.366 ( 4.313 -10.981 1.894) 11.948 5.535 ( -1.806 5.562 -0.757) 5.897 5.597 ( -1.427 -1.059 -1.620) 2.405 5.750 ( -1.279 -1.107 0.385) 1.735 5.825 ( 1.429 -7.114 0.915) 7.314 5.875 ( 3.341 2.779 3.043) 5.306 5.945 ( 4.753 -2.098 1.428) 5.388 6.110 ( 6.990 0.896 2.622) 7.519 6.135 ( 7.609 -1.575 3.249) 8.422 6.321 ( 4.259 4.120 -5.840) 8.320 6.466 ( 3.370 -8.825 -6.653) 11.554 6.812 ( -3.809 6.173 -2.696) 7.739 6.917 ( -2.180 -4.616 -1.378) 5.287 7.068 ( 5.123 4.646 -2.404) 7.322 7.170 ( 7.780 -5.170 -4.267) 10.269 7.439 ( 3.102 3.292 3.541) 5.744 7.497 ( 4.133 -2.447 2.006) 5.205 8.074 ( 0.579 3.440 -0.203) 3.495 8.133 ( 0.506 -2.536 0.137) 2.590 8.629 ( -1.442 2.643 1.244) 3.258 8.657 ( -1.928 0.208 1.385) 2.383 8.887 ( 4.102 5.981 1.636) 7.434 8.974 ( 6.032 -3.125 2.171) 7.132 9.155 ( -2.003 4.080 -5.058) 6.800 9.257 ( -4.581 -4.014 -4.325) 7.470 9.523 ( -0.185 1.165 1.737) 2.100 9.665 ( 6.347 -4.786 -0.451) 7.962 9.682 ( -0.682 -4.343 -0.626) 4.440 9.779 ( 4.904 -9.173 -0.873) 10.438 11.360 ( -2.343 6.240 -5.415) 8.588 11.423 ( -2.005 -0.213 -8.473) 8.710 11.559 ( -3.330 4.459 -3.570) 6.612 11.641 ( -3.538 -3.319 -3.654) 6.073 12.321 ( -9.627 2.958 13.461) 16.812 12.419 ( -11.165 -6.857 12.526) 18.127 15.731 ( 5.974 1.250 0.784) 6.153 15.752 ( 6.283 -0.889 0.663) 6.380 16.445 ( 2.426 6.101 -0.161) 6.567 16.539 ( 2.028 -3.202 -2.482) 4.530 16.881 ( 7.945 3.809 1.709) 8.975 16.959 ( 6.684 -3.962 -0.176) 7.772 17.581 ( -7.073 1.617 0.652) 7.285 17.617 ( -4.718 -2.035 -0.184) 5.141 18.187 ( -1.512 13.328 1.458) 13.492 18.397 ( 0.534 -2.185 -4.689) 5.200 18.718 ( 5.125 -1.497 4.062) 6.708 18.861 ( 6.780 -10.376 -0.580) 12.409 19.821 ( -4.876 0.840 1.132) 5.076 19.862 ( -5.751 -3.168 0.687) 6.602 20.124 ( -0.555 2.956 -0.389) 3.033 20.180 ( -1.321 -2.681 -1.093) 3.182 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 11.145 12.406 2.272) 16.831 1.816 ( 10.330 7.079 3.655) 13.045 1.879 ( 8.643 1.163 3.740) 9.489 1.978 ( 3.173 2.454 1.211) 4.190 2.065 ( 3.377 -5.475 -2.555) 6.922 2.139 ( 7.031 -7.716 -1.185) 10.506 2.400 ( 6.457 4.152 -2.130) 7.966 2.451 ( 3.881 0.626 -2.301) 4.555 2.522 ( 4.861 0.884 -1.723) 5.232 2.560 ( 0.249 -1.909 -2.444) 3.111 2.774 ( 0.193 9.450 3.032) 9.926 2.856 ( -1.329 2.401 -3.445) 4.405 3.018 ( -2.233 3.536 0.339) 4.196 3.118 ( -0.237 -5.343 0.214) 5.352 3.202 ( 0.935 2.623 1.902) 3.372 3.242 ( 1.045 -1.013 -0.214) 1.470 3.350 ( 3.323 6.600 -0.525) 7.408 3.428 ( 2.036 0.459 3.144) 3.774 3.575 ( 1.906 0.057 -2.150) 2.874 3.633 ( 3.876 -4.219 -2.927) 6.434 3.873 ( 2.613 8.517 5.858) 10.663 4.045 ( 7.809 -2.381 5.348) 9.759 4.144 ( 5.702 1.905 2.004) 6.337 4.274 ( 7.207 -5.753 -5.554) 10.765 4.432 ( 11.021 5.189 6.950) 14.025 4.523 ( 6.395 -3.447 2.121) 7.568 4.675 ( 0.382 4.566 -1.881) 4.953 4.778 ( 0.825 -3.744 -3.817) 5.410 4.923 ( 3.394 2.998 -5.546) 7.160 4.970 ( 1.468 -2.349 -3.649) 4.582 5.177 ( 4.097 5.993 0.896) 7.315 5.250 ( 5.419 0.045 -2.852) 6.124 5.320 ( 5.425 0.260 -1.863) 5.742 5.396 ( -0.664 -4.563 1.129) 4.747 5.533 ( 0.941 2.413 1.274) 2.886 5.600 ( 1.811 -3.764 0.069) 4.177 5.712 ( -0.181 2.535 2.812) 3.791 5.840 ( 0.914 -7.895 2.143) 8.232 5.970 ( 5.612 2.330 1.382) 6.231 6.043 ( 5.201 -3.084 3.733) 7.106 6.261 ( 7.528 2.662 1.814) 8.189 6.316 ( 10.542 -0.572 -3.318) 11.067 6.500 ( 10.027 1.647 -2.315) 10.422 6.561 ( 8.478 -3.254 -1.954) 9.289 6.761 ( 0.927 5.177 1.673) 5.519 6.880 ( -0.443 -7.472 2.803) 7.993 7.182 ( 5.200 7.097 -3.727) 9.555 7.294 ( 3.730 -3.551 -3.138) 6.031 7.545 ( 8.794 1.416 0.891) 8.952 7.604 ( 7.493 -3.572 2.296) 8.613 8.108 ( 3.252 3.048 -3.826) 5.874 8.172 ( 3.250 -3.411 -4.642) 6.614 8.586 ( -3.123 2.733 0.598) 4.193 8.613 ( -2.610 0.397 0.788) 2.755 8.907 ( -2.596 9.455 0.140) 9.806 9.060 ( 0.209 -4.440 -1.439) 4.672 9.161 ( 0.270 0.537 -1.884) 1.978 9.191 ( 1.467 -2.260 -0.294) 2.710 9.479 ( -4.153 1.019 5.060) 6.625 9.624 ( -3.651 -10.958 -0.056) 11.551 9.860 ( 13.426 1.902 1.004) 13.597 9.953 ( 12.574 -6.834 -0.445) 14.318 11.302 ( -3.606 6.210 -4.363) 8.402 11.368 ( -3.732 -0.250 -6.313) 7.338 11.485 ( -4.012 3.375 -2.913) 5.998 11.562 ( -4.349 -3.636 -2.704) 6.281 12.078 ( -15.292 2.050 9.877) 18.319 12.148 ( -16.398 -4.767 8.755) 19.191 15.890 ( 10.398 1.822 1.226) 10.627 15.914 ( 10.364 -0.522 0.990) 10.424 16.489 ( 1.895 5.617 -0.977) 6.008 16.577 ( 1.509 -2.812 -2.990) 4.373 17.065 ( 10.252 2.858 0.269) 10.647 17.117 ( 8.892 -2.355 -0.924) 9.245 17.433 ( -7.541 2.881 2.163) 8.358 17.507 ( -6.391 -4.377 0.400) 7.756 18.163 ( -0.256 14.123 2.203) 14.296 18.408 ( 1.039 -6.053 -4.215) 7.449 18.830 ( 5.575 1.828 3.652) 6.911 19.002 ( 6.718 -11.217 -1.080) 13.119 19.713 ( -5.614 -0.105 1.103) 5.722 19.734 ( -6.842 -2.181 0.852) 7.232 20.099 ( -2.100 1.948 -0.780) 2.969 20.135 ( -3.454 -1.551 -1.280) 3.997 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 7.377 9.012 0.695) 11.667 1.996 ( 7.316 4.256 2.800) 8.915 2.020 ( 5.312 -0.127 1.168) 5.440 2.043 ( 4.542 1.493 0.843) 4.855 2.165 ( 7.299 1.219 0.908) 7.456 2.263 ( 5.793 -5.811 0.698) 8.235 2.433 ( -2.007 2.930 -2.407) 4.290 2.456 ( -0.623 0.110 1.149) 1.312 2.597 ( 3.573 5.540 -0.355) 6.602 2.670 ( 6.646 1.123 -2.769) 7.286 2.751 ( -1.351 5.279 -2.865) 6.156 2.828 ( -2.021 -0.106 -3.055) 3.665 2.964 ( -3.806 5.304 0.959) 6.599 3.069 ( -4.215 -2.518 -0.012) 4.910 3.185 ( -2.550 0.902 -0.003) 2.705 3.232 ( -2.588 -2.564 -0.426) 3.668 3.435 ( 6.197 6.611 0.344) 9.068 3.535 ( 7.840 -3.282 2.283) 8.801 3.634 ( 4.843 2.034 -2.956) 6.027 3.718 ( 4.736 -4.540 -5.849) 8.789 3.945 ( 5.331 8.374 5.534) 11.365 4.121 ( 1.125 -6.363 5.014) 8.179 4.262 ( 1.688 5.836 -3.968) 7.256 4.355 ( -0.222 -1.177 -4.576) 4.730 4.561 ( 5.301 1.898 -2.260) 6.067 4.609 ( 4.652 -1.596 -1.769) 5.226 4.718 ( 1.445 1.877 -2.204) 3.235 4.789 ( 0.898 -4.670 -2.690) 5.464 5.019 ( 6.694 0.220 1.388) 6.840 5.037 ( 5.351 -1.529 0.519) 5.589 5.229 ( 0.644 3.086 2.907) 4.288 5.274 ( -2.852 -0.212 4.610) 5.425 5.408 ( 4.098 1.722 -3.078) 5.407 5.444 ( 6.230 -0.439 -3.311) 7.069 5.561 ( 1.951 1.050 -0.182) 2.224 5.627 ( 0.846 -4.376 -0.668) 4.506 5.765 ( 4.401 3.490 2.120) 6.004 5.877 ( 2.462 -5.395 3.332) 6.802 6.053 ( 3.034 3.494 -1.161) 4.771 6.143 ( 4.189 -3.857 0.544) 5.720 6.360 ( 3.704 2.592 4.946) 6.701 6.440 ( 2.135 -5.206 -1.547) 5.836 6.614 ( 7.094 8.283 5.835) 12.369 6.800 ( 8.167 -6.228 3.373) 10.811 6.890 ( 10.896 3.208 0.374) 11.365 6.933 ( 7.878 -2.982 3.013) 8.946 7.235 ( 0.718 6.003 -0.668) 6.083 7.317 ( -0.285 -2.034 0.374) 2.087 7.749 ( 11.536 0.714 -2.624) 11.852 7.785 ( 11.179 -2.014 -2.206) 11.572 8.183 ( 3.366 0.977 -7.597) 8.367 8.227 ( 1.734 -3.141 -7.478) 8.294 8.526 ( -2.259 3.483 1.386) 4.377 8.570 ( -1.004 -0.602 1.184) 1.665 8.820 ( -6.041 9.219 -0.742) 11.046 8.980 ( -7.029 -5.452 -5.496) 10.457 9.142 ( -1.635 1.658 4.757) 5.296 9.238 ( -0.949 -5.339 3.532) 6.472 9.411 ( -0.789 3.432 2.560) 4.354 9.567 ( -2.438 -10.194 -1.168) 10.547 10.156 ( 17.056 2.416 2.918) 17.472 10.228 ( 15.757 -4.357 1.679) 16.434 11.228 ( -4.420 5.145 -4.207) 7.982 11.284 ( -5.508 -0.265 -4.697) 7.244 11.409 ( -4.041 2.901 0.246) 4.980 11.485 ( -4.003 -4.083 -0.643) 5.754 11.787 ( -13.772 1.555 5.020) 14.741 11.847 ( -13.971 -4.059 3.558) 14.978 16.103 ( 11.536 2.559 1.253) 11.883 16.127 ( 11.707 0.197 1.235) 11.773 16.506 ( -0.404 5.027 -0.720) 5.095 16.581 ( -1.421 -2.032 -1.919) 3.135 17.204 ( 2.413 3.061 -1.821) 4.302 17.255 ( 5.141 -1.032 -2.815) 5.952 17.332 ( -2.619 0.496 2.378) 3.572 17.400 ( -3.620 -5.491 0.876) 6.635 18.206 ( 5.296 15.279 3.233) 16.491 18.451 ( 3.341 -4.244 -2.637) 6.011 18.884 ( -0.529 0.371 2.472) 2.555 19.060 ( -1.539 -12.426 -1.801) 12.650 19.645 ( -1.305 -0.264 1.586) 2.071 19.655 ( -0.036 -1.283 1.517) 1.987 20.043 ( -3.812 0.669 -1.243) 4.065 20.054 ( -4.750 -0.349 -1.451) 4.979 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 3.462 4.908 0.975) 6.085 2.046 ( 0.490 2.919 1.256) 3.215 2.112 ( 2.470 1.556 0.201) 2.926 2.120 ( 2.334 0.379 -0.017) 2.365 2.306 ( 6.244 2.399 0.714) 6.727 2.348 ( 2.984 -1.224 -0.044) 3.226 2.394 ( -1.381 2.746 -0.105) 3.075 2.433 ( -2.425 -1.153 -0.157) 2.689 2.652 ( 2.885 7.548 1.861) 8.292 2.704 ( -1.465 7.267 -0.039) 7.413 2.774 ( 1.407 -1.347 -1.781) 2.640 2.814 ( -0.506 -0.088 -3.861) 3.895 2.899 ( 0.197 6.722 1.273) 6.844 2.977 ( -5.307 1.410 -0.223) 5.496 3.141 ( -0.985 -1.844 0.138) 2.095 3.166 ( -3.312 -3.172 0.276) 4.594 3.573 ( 6.639 4.088 -1.062) 7.869 3.627 ( 1.360 -0.765 0.142) 1.567 3.743 ( 4.871 -0.920 -6.132) 7.885 3.785 ( 1.202 -4.633 -7.445) 8.851 4.065 ( 5.556 5.366 2.514) 8.123 4.133 ( 1.244 0.312 1.366) 1.873 4.185 ( -3.831 3.770 -3.752) 6.555 4.287 ( -7.038 -2.819 -2.349) 7.937 4.654 ( 3.442 2.352 -3.037) 5.158 4.682 ( 0.808 0.839 -2.782) 3.016 4.752 ( 3.952 -2.995 -1.475) 5.173 4.802 ( -0.384 -6.098 -2.735) 6.694 5.121 ( 4.016 0.762 3.625) 5.463 5.142 ( 4.288 -0.821 4.163) 6.032 5.194 ( -3.148 0.499 4.262) 5.322 5.211 ( -3.224 -0.842 3.938) 5.158 5.499 ( 4.941 5.061 -4.213) 8.233 5.556 ( 2.225 2.854 -3.890) 5.313 5.576 ( 1.824 -1.738 -2.584) 3.609 5.632 ( -1.169 -3.184 -1.725) 3.805 5.837 ( 3.485 4.150 2.598) 6.010 5.895 ( -1.561 -0.462 2.701) 3.154 6.101 ( 2.576 -1.758 -4.096) 5.149 6.153 ( -2.396 -5.314 -4.281) 7.233 6.442 ( 5.792 5.022 9.039) 11.852 6.507 ( 1.948 0.244 9.108) 9.317 6.699 ( 3.515 0.192 7.281) 8.088 6.802 ( -5.082 -7.450 7.913) 11.997 7.088 ( 9.188 4.941 0.461) 10.443 7.140 ( 8.011 0.708 0.322) 8.049 7.229 ( -0.461 3.269 -0.220) 3.309 7.292 ( -3.010 -2.181 0.353) 3.734 7.953 ( 9.382 4.391 -4.153) 11.161 7.988 ( 8.350 2.189 -7.121) 11.190 8.168 ( -3.703 -2.305 -4.895) 6.556 8.206 ( -4.762 -4.724 -6.724) 9.498 8.552 ( 5.324 4.408 0.779) 6.956 8.622 ( 6.629 -1.823 -1.136) 6.969 8.689 ( -7.042 7.429 -0.457) 10.247 8.810 ( -10.482 -3.370 -4.287) 11.815 9.125 ( 0.527 -1.757 6.431) 6.688 9.169 ( -3.939 -5.117 6.944) 9.482 9.452 ( 3.510 0.572 -1.743) 3.961 9.517 ( -3.093 -5.453 -2.339) 6.691 10.457 ( 12.522 2.348 5.416) 13.844 10.494 ( 9.513 -0.964 5.047) 10.812 11.121 ( -5.606 1.537 -6.426) 8.665 11.147 ( -7.678 -0.794 -5.944) 9.742 11.360 ( -0.401 2.468 4.794) 5.407 11.398 ( -4.313 -1.032 4.366) 6.224 11.630 ( -2.347 -0.660 -1.257) 2.743 11.662 ( -5.420 -3.414 -1.364) 6.549 16.303 ( 8.962 4.160 0.733) 9.908 16.333 ( 8.835 1.670 0.716) 9.020 16.465 ( -3.521 2.919 0.334) 4.586 16.514 ( -5.680 -1.256 -0.027) 5.817 17.206 ( 0.320 0.592 0.180) 0.696 17.244 ( -3.500 -2.919 0.300) 4.567 17.352 ( 2.718 0.262 -3.018) 4.070 17.383 ( -0.448 -2.859 -2.320) 3.709 18.354 ( 9.261 14.699 3.760) 17.775 18.484 ( -2.269 7.560 1.508) 8.036 18.861 ( 1.212 -9.622 -1.173) 9.769 18.961 ( -7.334 -13.743 -2.676) 15.806 19.673 ( 2.915 0.770 3.134) 4.348 19.690 ( 1.800 -0.827 2.969) 3.569 19.968 ( -2.831 0.169 -2.219) 3.601 19.975 ( -3.182 -0.492 -2.234) 3.918 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 0.000 24.532) 24.532 1.124 ( 0.000 0.000 24.460) 24.460 1.485 ( 0.000 0.000 -17.338) 17.338 1.580 ( 0.000 0.000 -20.740) 20.740 1.787 ( 0.000 0.000 5.017) 5.017 1.855 ( 0.000 0.000 -2.840) 2.840 2.185 ( 0.000 0.000 37.721) 37.721 2.350 ( 0.000 0.000 3.112) 3.112 2.369 ( 0.000 0.000 -1.106) 1.106 2.666 ( 0.000 0.000 -0.367) 0.367 2.767 ( 0.000 0.000 4.256) 4.256 2.769 ( 0.000 0.000 0.464) 0.464 2.906 ( 0.000 0.000 -5.095) 5.095 2.926 ( 0.000 0.000 3.974) 3.974 2.968 ( 0.000 0.000 -4.790) 4.790 3.070 ( 0.000 0.000 -10.496) 10.496 3.330 ( 0.000 0.000 5.709) 5.709 3.409 ( 0.000 0.000 -0.390) 0.390 3.449 ( 0.000 0.000 -5.220) 5.220 3.475 ( 0.000 0.000 -9.132) 9.132 3.588 ( 0.000 0.000 2.301) 2.301 3.719 ( 0.000 0.000 -7.397) 7.397 3.856 ( 0.000 0.000 18.242) 18.242 3.972 ( 0.000 0.000 4.233) 4.233 4.131 ( 0.000 0.000 -8.197) 8.197 4.322 ( 0.000 0.000 -19.091) 19.091 4.519 ( 0.000 0.000 2.131) 2.131 4.555 ( 0.000 0.000 -1.128) 1.128 4.788 ( 0.000 0.000 12.184) 12.184 4.974 ( 0.000 0.000 -4.280) 4.280 5.013 ( 0.000 0.000 10.947) 10.947 5.216 ( 0.000 0.000 1.935) 1.935 5.251 ( 0.000 0.000 -1.844) 1.844 5.403 ( 0.000 0.000 -0.715) 0.715 5.511 ( 0.000 0.000 2.606) 2.606 5.564 ( 0.000 0.000 -2.085) 2.085 5.782 ( 0.000 0.000 0.554) 0.554 5.835 ( 0.000 0.000 -1.761) 1.761 5.977 ( 0.000 0.000 -2.590) 2.590 6.034 ( 0.000 0.000 1.799) 1.799 6.071 ( 0.000 0.000 -2.122) 2.122 6.223 ( 0.000 0.000 -7.871) 7.871 6.611 ( 0.000 0.000 8.402) 8.402 6.710 ( 0.000 0.000 -2.980) 2.980 6.964 ( 0.000 0.000 0.649) 0.649 7.021 ( 0.000 0.000 -6.070) 6.070 7.051 ( 0.000 0.000 0.818) 0.818 7.089 ( 0.000 0.000 -5.230) 5.230 7.322 ( 0.000 0.000 3.227) 3.227 7.413 ( 0.000 0.000 -4.926) 4.926 8.040 ( 0.000 0.000 3.878) 3.878 8.066 ( 0.000 0.000 2.603) 2.603 8.401 ( 0.000 0.000 1.274) 1.274 8.418 ( 0.000 0.000 -1.982) 1.982 8.740 ( 0.000 0.000 2.056) 2.056 8.796 ( 0.000 0.000 -4.189) 4.189 9.310 ( 0.000 0.000 3.951) 3.951 9.344 ( 0.000 0.000 0.633) 0.633 9.742 ( 0.000 0.000 0.288) 0.288 9.758 ( 0.000 0.000 1.127) 1.127 10.244 ( 0.000 0.000 6.436) 6.436 10.508 ( 0.000 0.000 -17.081) 17.081 10.928 ( 0.000 0.000 7.426) 7.426 11.055 ( 0.000 0.000 -5.846) 5.846 11.254 ( 0.000 0.000 6.571) 6.571 11.390 ( 0.000 0.000 -6.438) 6.438 12.876 ( 0.000 0.000 22.186) 22.186 13.271 ( 0.000 0.000 -16.820) 16.820 15.766 ( 0.000 0.000 3.857) 3.857 15.834 ( 0.000 0.000 -2.723) 2.723 16.042 ( 0.000 0.000 -0.155) 0.155 16.044 ( 0.000 0.000 -0.406) 0.406 16.735 ( 0.000 0.000 7.029) 7.029 16.892 ( 0.000 0.000 -8.291) 8.291 17.462 ( 0.000 0.000 3.537) 3.537 17.527 ( 0.000 0.000 -2.950) 2.950 17.821 ( 0.000 0.000 2.761) 2.761 17.876 ( 0.000 0.000 -2.617) 2.617 19.351 ( 0.000 0.000 6.902) 6.902 19.494 ( 0.000 0.000 -7.058) 7.058 19.995 ( 0.000 0.000 2.135) 2.135 20.026 ( 0.000 0.000 -1.000) 1.000 20.250 ( 0.000 0.000 0.979) 0.979 20.276 ( 0.000 0.000 -1.455) 1.455 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 3.589 0.000 21.252) 21.553 1.282 ( 14.259 0.000 18.775) 23.576 1.483 ( -0.139 0.000 -14.592) 14.593 1.655 ( 7.007 0.000 -15.812) 17.295 1.853 ( 6.201 0.000 2.103) 6.548 1.903 ( 4.173 0.000 -3.319) 5.331 2.271 ( 7.075 0.000 25.678) 26.635 2.331 ( -1.612 0.000 1.570) 2.251 2.389 ( 3.352 0.000 7.312) 8.044 2.692 ( 1.540 0.000 1.491) 2.144 2.696 ( -4.648 0.000 5.391) 7.118 2.767 ( -2.046 0.000 -2.201) 3.005 2.911 ( 0.170 0.000 -5.988) 5.991 2.944 ( -1.673 0.000 -3.508) 3.886 3.031 ( 9.240 0.000 2.071) 9.470 3.130 ( 5.850 0.000 -5.617) 8.110 3.332 ( -3.114 0.000 3.608) 4.766 3.393 ( 2.926 0.000 2.908) 4.125 3.444 ( -0.606 0.000 -6.296) 6.325 3.488 ( 0.447 0.000 -6.460) 6.475 3.599 ( 2.683 0.000 1.435) 3.043 3.731 ( 1.517 0.000 -9.802) 9.919 3.953 ( 7.730 0.000 11.266) 13.663 4.051 ( 7.548 0.000 3.656) 8.387 4.181 ( 4.831 0.000 -6.639) 8.211 4.317 ( -1.792 0.000 -12.094) 12.226 4.499 ( -0.613 0.000 0.323) 0.693 4.557 ( 0.851 0.000 -4.330) 4.413 4.846 ( 6.304 0.000 10.936) 12.623 5.001 ( 4.388 0.000 0.826) 4.466 5.092 ( 5.848 0.000 3.915) 7.037 5.229 ( 3.082 0.000 3.633) 4.765 5.288 ( 3.380 0.000 0.658) 3.443 5.403 ( -0.107 0.000 0.719) 0.727 5.554 ( 6.409 0.000 3.936) 7.521 5.636 ( 6.258 0.000 -4.762) 7.863 5.859 ( 6.454 0.000 -0.012) 6.454 5.919 ( 5.801 0.000 -2.332) 6.252 5.990 ( 2.293 0.000 3.601) 4.269 6.077 ( 3.630 0.000 4.103) 5.479 6.143 ( 5.759 0.000 -6.937) 9.016 6.252 ( 2.267 0.000 -6.842) 7.208 6.517 ( -9.881 0.000 11.049) 14.823 6.705 ( -0.971 0.000 -6.763) 6.833 6.818 ( -6.547 0.000 0.723) 6.587 6.897 ( -6.267 0.000 -5.439) 8.298 7.116 ( 2.997 0.000 -2.023) 3.615 7.149 ( 0.053 0.000 -4.764) 4.765 7.335 ( 4.465 0.000 5.851) 7.360 7.457 ( 4.454 0.000 -5.553) 7.119 8.095 ( 2.271 0.000 4.677) 5.199 8.113 ( 5.753 0.000 2.764) 6.383 8.391 ( 0.518 0.000 2.056) 2.120 8.453 ( 2.890 0.000 -4.750) 5.560 8.811 ( 5.619 0.000 1.832) 5.910 8.864 ( 4.928 0.000 -3.238) 5.897 9.274 ( -2.951 0.000 4.702) 5.552 9.348 ( 0.022 0.000 -1.593) 1.593 9.746 ( 1.266 0.000 2.699) 2.981 9.796 ( 3.132 0.000 -1.266) 3.378 10.247 ( -0.022 0.000 5.425) 5.425 10.442 ( -5.792 0.000 -11.261) 12.664 10.957 ( 2.341 0.000 3.789) 4.454 11.051 ( 0.382 0.000 -5.680) 5.693 11.274 ( 1.862 0.000 5.314) 5.630 11.403 ( 1.216 0.000 -6.355) 6.470 12.716 ( -15.686 0.000 17.894) 23.796 12.990 ( -25.340 0.000 -7.814) 26.517 15.802 ( 3.160 0.000 3.658) 4.834 15.864 ( 4.303 0.000 -1.959) 4.728 16.056 ( 1.998 0.000 1.502) 2.500 16.132 ( 6.463 0.000 -5.387) 8.414 16.826 ( 8.294 0.000 6.816) 10.736 16.983 ( 7.412 0.000 -8.588) 11.345 17.464 ( 0.811 0.000 4.090) 4.170 17.541 ( 2.246 0.000 -3.596) 4.240 17.839 ( 1.358 0.000 2.283) 2.657 17.889 ( 0.461 0.000 -2.640) 2.680 19.351 ( 0.070 0.000 6.837) 6.837 19.493 ( -0.264 0.000 -6.921) 6.926 19.977 ( -1.898 0.000 2.360) 3.029 20.013 ( -1.838 0.000 -1.182) 2.185 20.156 ( -7.134 0.000 4.341) 8.351 20.236 ( -4.805 0.000 -3.846) 6.155 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 7.013 0.000 14.626) 16.220 1.468 ( 1.733 0.000 -11.633) 11.761 1.596 ( 14.819 0.000 12.714) 19.526 1.792 ( 6.794 0.000 -5.800) 8.933 1.979 ( 4.313 0.000 -1.426) 4.543 1.987 ( 6.362 0.000 -2.900) 6.992 2.296 ( -1.631 0.000 1.667) 2.332 2.316 ( -0.603 0.000 -0.621) 0.865 2.535 ( 4.544 0.000 13.056) 13.824 2.627 ( 0.178 0.000 7.415) 7.417 2.690 ( -2.856 0.000 0.053) 2.856 2.708 ( -2.962 0.000 -0.508) 3.005 2.893 ( -2.242 0.000 -5.603) 6.035 2.901 ( -2.138 0.000 -4.067) 4.594 3.188 ( -2.277 0.000 2.453) 3.347 3.232 ( 9.210 0.000 8.936) 12.833 3.315 ( 2.118 0.000 -4.975) 5.407 3.428 ( -1.137 0.000 -4.126) 4.279 3.481 ( 7.141 0.000 1.852) 7.377 3.535 ( 5.987 0.000 0.511) 6.009 3.703 ( 7.910 0.000 -3.161) 8.518 3.809 ( 8.437 0.000 -11.860) 14.555 4.090 ( 5.673 0.000 5.612) 7.979 4.192 ( 4.421 0.000 2.158) 4.919 4.253 ( -1.604 0.000 -7.527) 7.696 4.284 ( 4.104 0.000 -4.472) 6.070 4.523 ( 4.158 0.000 1.229) 4.336 4.623 ( 5.904 0.000 -7.024) 9.176 5.008 ( 9.483 0.000 8.994) 13.070 5.116 ( 6.344 0.000 4.133) 7.571 5.215 ( 7.003 0.000 -3.593) 7.871 5.272 ( -0.001 0.000 -4.413) 4.413 5.387 ( 6.616 0.000 10.682) 12.564 5.451 ( 5.700 0.000 4.036) 6.984 5.710 ( 5.449 0.000 1.449) 5.638 5.777 ( 8.984 0.000 -1.488) 9.106 5.906 ( -4.686 0.000 8.045) 9.311 6.006 ( 6.529 0.000 6.186) 8.994 6.075 ( 2.571 0.000 -6.628) 7.109 6.169 ( 8.947 0.000 -1.163) 9.022 6.237 ( 4.811 0.000 -3.282) 5.824 6.284 ( 1.921 0.000 -2.579) 3.215 6.361 ( -2.232 0.000 7.958) 8.265 6.610 ( -8.752 0.000 -12.387) 15.167 6.784 ( 0.744 0.000 3.252) 3.336 6.852 ( 0.475 0.000 -1.348) 1.430 7.152 ( 3.904 0.000 0.501) 3.936 7.239 ( 8.583 0.000 -6.851) 10.982 7.458 ( 7.155 0.000 2.949) 7.739 7.562 ( 6.326 0.000 -5.836) 8.607 8.125 ( 1.438 0.000 5.523) 5.707 8.204 ( 2.885 0.000 -1.144) 3.103 8.432 ( 3.595 0.000 4.618) 5.852 8.529 ( 4.549 0.000 -4.051) 6.092 8.865 ( -1.095 0.000 4.141) 4.283 8.922 ( 0.844 0.000 -2.670) 2.800 9.233 ( -0.693 0.000 2.411) 2.508 9.332 ( -1.692 0.000 -5.520) 5.774 9.797 ( 3.321 0.000 4.431) 5.537 9.848 ( 1.576 0.000 0.317) 1.607 10.246 ( 0.705 0.000 2.144) 2.257 10.338 ( -3.998 0.000 -5.983) 7.196 10.999 ( 2.129 0.000 3.059) 3.727 11.086 ( 3.020 0.000 -4.280) 5.238 11.315 ( 2.263 0.000 3.011) 3.767 11.430 ( 1.707 0.000 -6.202) 6.432 12.347 ( -21.694 0.000 10.358) 24.040 12.470 ( -27.233 0.000 -0.630) 27.240 15.876 ( 4.575 0.000 3.698) 5.883 15.976 ( 5.836 0.000 -5.651) 8.123 16.118 ( 5.191 0.000 6.228) 8.108 16.257 ( 6.695 0.000 -6.666) 9.447 16.988 ( 7.732 0.000 4.466) 8.929 17.097 ( 4.179 0.000 -5.982) 7.298 17.517 ( 4.816 0.000 5.657) 7.430 17.624 ( 5.368 0.000 -4.561) 7.044 17.854 ( -0.003 0.000 0.081) 0.081 17.869 ( -1.939 0.000 -1.242) 2.303 19.352 ( -0.245 0.000 5.803) 5.809 19.475 ( -2.043 0.000 -5.978) 6.317 19.914 ( -5.303 0.000 3.703) 6.468 19.946 ( -3.613 0.000 0.415) 3.637 20.060 ( -2.745 0.000 1.724) 3.242 20.125 ( -6.019 0.000 -4.173) 7.324 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 7.456 0.000 7.218) 10.377 1.494 ( 1.191 0.000 -8.610) 8.692 1.866 ( 11.788 0.000 7.093) 13.757 1.898 ( 4.258 0.000 2.079) 4.738 2.040 ( 3.551 0.000 1.412) 3.821 2.113 ( 6.737 0.000 -4.182) 7.929 2.280 ( 0.093 0.000 1.066) 1.070 2.313 ( 1.061 0.000 -2.136) 2.385 2.490 ( -5.089 0.000 4.470) 6.774 2.596 ( -5.940 0.000 -4.710) 7.581 2.654 ( -3.122 0.000 4.219) 5.249 2.675 ( 0.396 0.000 2.965) 2.992 2.837 ( -2.788 0.000 -2.700) 3.881 2.890 ( 1.392 0.000 -5.195) 5.378 3.079 ( -6.879 0.000 2.494) 7.317 3.251 ( -5.960 0.000 -11.982) 13.383 3.391 ( 3.415 0.000 0.194) 3.420 3.408 ( -0.545 0.000 -0.301) 0.622 3.669 ( 8.298 0.000 7.967) 11.503 3.725 ( 13.613 0.000 4.042) 14.200 3.826 ( 6.160 0.000 3.855) 7.267 4.039 ( 6.184 0.000 -8.677) 10.656 4.139 ( 5.264 0.000 -0.353) 5.276 4.221 ( 3.375 0.000 -2.786) 4.376 4.284 ( 2.105 0.000 -3.441) 4.033 4.343 ( 1.991 0.000 -5.400) 5.756 4.671 ( 10.564 0.000 3.660) 11.180 4.775 ( 10.391 0.000 -5.461) 11.738 5.145 ( 4.384 0.000 4.334) 6.165 5.218 ( 1.517 0.000 7.210) 7.368 5.236 ( 0.873 0.000 -4.072) 4.165 5.331 ( 0.751 0.000 -2.819) 2.918 5.507 ( 7.021 0.000 5.917) 9.182 5.550 ( 3.362 0.000 1.442) 3.658 5.699 ( -4.447 0.000 4.439) 6.283 5.735 ( -6.760 0.000 3.058) 7.419 5.982 ( 4.816 0.000 3.906) 6.201 6.058 ( 1.481 0.000 3.440) 3.745 6.148 ( -0.292 0.000 5.937) 5.944 6.282 ( 5.667 0.000 0.889) 5.737 6.348 ( 6.225 0.000 -0.471) 6.243 6.387 ( -0.050 0.000 -7.992) 7.992 6.482 ( 13.723 0.000 -5.857) 14.921 6.516 ( 8.590 0.000 -5.103) 9.991 6.792 ( 0.469 0.000 4.612) 4.636 6.882 ( 3.101 0.000 -2.232) 3.821 7.251 ( 4.212 0.000 3.362) 5.390 7.345 ( -0.338 0.000 -3.955) 3.970 7.598 ( 7.256 0.000 0.994) 7.323 7.691 ( 7.064 0.000 -5.377) 8.877 8.169 ( 3.866 0.000 3.049) 4.923 8.243 ( 2.410 0.000 -2.993) 3.843 8.492 ( 2.043 0.000 6.513) 6.826 8.597 ( 2.367 0.000 -2.638) 3.544 8.786 ( -6.459 0.000 5.920) 8.762 8.884 ( -5.016 0.000 -4.814) 6.952 9.258 ( 3.324 0.000 -0.117) 3.326 9.311 ( 0.459 0.000 -4.662) 4.684 9.795 ( -3.627 0.000 4.994) 6.172 9.853 ( -1.847 0.000 -1.042) 2.121 10.306 ( 5.632 0.000 -0.107) 5.633 10.334 ( 3.800 0.000 -2.452) 4.522 11.031 ( 1.117 0.000 5.842) 5.948 11.146 ( 2.253 0.000 -4.751) 5.258 11.352 ( 1.837 0.000 4.522) 4.881 11.474 ( 3.066 0.000 -5.902) 6.651 11.946 ( -19.625 0.000 4.779) 20.198 12.009 ( -20.620 0.000 -0.791) 20.635 15.962 ( 4.222 0.000 2.780) 5.055 16.045 ( 1.758 0.000 -5.211) 5.500 16.256 ( 8.306 0.000 6.392) 10.481 16.374 ( 5.152 0.000 -4.582) 6.895 17.116 ( 6.360 0.000 0.881) 6.421 17.165 ( 3.848 0.000 -3.375) 5.118 17.577 ( -1.427 0.000 4.750) 4.960 17.661 ( -2.870 0.000 -3.562) 4.574 17.835 ( 2.470 0.000 3.887) 4.605 17.912 ( 4.962 0.000 -3.320) 5.970 19.330 ( -2.169 0.000 2.790) 3.534 19.408 ( -4.810 0.000 -4.477) 6.571 19.832 ( -2.104 0.000 5.470) 5.861 19.902 ( -1.166 0.000 -0.659) 1.340 20.017 ( -2.650 0.000 -0.931) 2.809 20.028 ( -3.738 0.000 -2.100) 4.288 ======================= Grid point 130 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.530 0.000 0.739) 4.590 1.501 ( -0.880 0.000 -4.259) 4.349 1.946 ( 1.671 0.000 3.101) 3.522 1.967 ( -0.003 0.000 1.581) 1.581 2.175 ( 8.696 0.000 3.906) 9.533 2.237 ( 4.400 0.000 -2.063) 4.859 2.314 ( 3.960 0.000 3.031) 4.987 2.343 ( 1.077 0.000 0.837) 1.364 2.383 ( -4.700 0.000 1.485) 4.929 2.471 ( -7.578 0.000 -2.734) 8.056 2.596 ( -0.847 0.000 -0.824) 1.182 2.641 ( -3.761 0.000 -2.814) 4.697 2.837 ( 3.162 0.000 2.936) 4.315 2.921 ( -3.133 0.000 3.659) 4.817 2.991 ( 2.693 0.000 -9.633) 10.002 3.113 ( -7.751 0.000 -13.046) 15.175 3.410 ( 0.759 0.000 1.047) 1.293 3.421 ( 0.048 0.000 -0.283) 0.287 3.782 ( 4.146 0.000 4.586) 6.182 3.825 ( -0.095 0.000 0.323) 0.336 3.981 ( 4.769 0.000 5.536) 7.307 4.022 ( -1.690 0.000 0.056) 1.691 4.243 ( 3.851 0.000 -6.315) 7.396 4.295 ( -0.300 0.000 -9.443) 9.448 4.359 ( 4.966 0.000 2.067) 5.379 4.385 ( 2.600 0.000 -0.133) 2.604 4.895 ( 12.406 0.000 5.000) 13.376 4.991 ( 9.390 0.000 -3.444) 10.002 5.151 ( -4.379 0.000 4.311) 6.145 5.201 ( -0.843 0.000 -1.342) 1.585 5.226 ( -2.883 0.000 2.100) 3.567 5.271 ( -4.870 0.000 -2.016) 5.271 5.606 ( 3.679 0.000 1.231) 3.880 5.623 ( 2.631 0.000 -0.198) 2.639 5.675 ( 2.560 0.000 4.400) 5.091 5.691 ( 3.318 0.000 4.923) 5.937 5.865 ( -8.488 0.000 3.929) 9.353 5.939 ( -12.607 0.000 -2.017) 12.768 6.258 ( 8.801 0.000 4.554) 9.909 6.350 ( -2.044 0.000 -3.568) 4.112 6.419 ( 5.915 0.000 1.595) 6.126 6.472 ( 3.338 0.000 -1.656) 3.726 6.643 ( 3.054 0.000 0.031) 3.054 6.684 ( 1.184 0.000 -3.668) 3.855 6.920 ( 15.186 0.000 4.502) 15.840 7.032 ( 12.753 0.000 -5.481) 13.881 7.209 ( -12.197 0.000 1.641) 12.306 7.240 ( -7.171 0.000 -1.068) 7.250 7.712 ( 4.953 0.000 2.201) 5.420 7.770 ( -0.106 0.000 -1.417) 1.421 8.282 ( 6.696 0.000 -1.056) 6.778 8.310 ( 3.503 0.000 -2.796) 4.482 8.515 ( 1.616 0.000 6.959) 7.144 8.607 ( -4.812 0.000 0.686) 4.860 8.666 ( -0.977 0.000 1.299) 1.626 8.753 ( -7.473 0.000 -5.059) 9.024 9.336 ( 3.713 0.000 -0.914) 3.824 9.352 ( 2.381 0.000 -2.395) 3.377 9.728 ( -1.568 0.000 2.823) 3.229 9.773 ( -5.202 0.000 -1.768) 5.495 10.421 ( 4.681 0.000 0.004) 4.681 10.427 ( 3.910 0.000 -0.359) 3.927 11.054 ( 2.112 0.000 5.030) 5.456 11.125 ( -4.215 0.000 -1.781) 4.576 11.420 ( 6.092 0.000 6.660) 9.026 11.532 ( 0.520 0.000 -1.199) 1.307 11.650 ( -8.605 0.000 -1.147) 8.681 11.717 ( -10.267 0.000 -4.965) 11.404 16.027 ( 2.530 0.000 0.663) 2.616 16.056 ( -0.499 0.000 -2.032) 2.093 16.389 ( 5.022 0.000 3.062) 5.882 16.432 ( 0.564 0.000 -0.806) 0.984 17.230 ( 5.248 0.000 -0.535) 5.276 17.253 ( 4.118 0.000 -2.749) 4.952 17.496 ( -3.680 0.000 2.069) 4.221 17.545 ( -7.181 0.000 -2.951) 7.764 17.938 ( 5.503 0.000 4.169) 6.903 17.984 ( 1.157 0.000 -0.161) 1.168 19.291 ( -0.902 0.000 -0.764) 1.182 19.319 ( -3.726 0.000 -3.248) 4.943 19.838 ( 2.159 0.000 5.220) 5.649 19.883 ( -1.730 0.000 2.297) 2.876 19.968 ( -0.889 0.000 -2.414) 2.573 19.984 ( -1.840 0.000 -2.458) 3.071 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 5.673 22.153) 22.868 1.187 ( 0.000 6.088 21.714) 22.552 1.513 ( 0.000 3.407 -15.607) 15.975 1.615 ( 0.000 3.945 -18.351) 18.770 1.854 ( 0.000 4.706 4.309) 6.381 1.961 ( 0.000 7.530 -6.472) 9.929 2.294 ( 0.000 8.123 22.522) 23.942 2.321 ( 0.000 -2.938 0.579) 2.994 2.342 ( 0.000 -0.146 10.412) 10.413 2.667 ( 0.000 -3.253 4.431) 5.497 2.697 ( 0.000 -1.446 1.318) 1.956 2.732 ( 0.000 -1.711 -8.218) 8.394 2.942 ( 0.000 4.324 4.387) 6.160 2.985 ( 0.000 5.137 1.409) 5.326 3.024 ( 0.000 3.701 -0.195) 3.706 3.136 ( 0.000 3.461 -6.443) 7.313 3.356 ( 0.000 -0.280 4.098) 4.107 3.411 ( 0.000 -0.287 1.089) 1.126 3.462 ( 0.000 2.061 -4.973) 5.383 3.512 ( 0.000 4.063 -9.061) 9.930 3.581 ( 0.000 1.304 2.140) 2.506 3.693 ( 0.000 0.830 -7.404) 7.450 3.905 ( 0.000 4.334 14.452) 15.088 4.076 ( 0.000 6.834 -0.331) 6.842 4.164 ( 0.000 4.840 -4.742) 6.776 4.382 ( 0.000 4.343 -15.677) 16.267 4.465 ( 0.000 -3.967 3.670) 5.404 4.537 ( 0.000 -0.200 -4.005) 4.010 4.768 ( 0.000 -1.634 12.880) 12.984 4.973 ( 0.000 -0.147 -2.064) 2.070 5.059 ( 0.000 2.684 5.581) 6.193 5.177 ( 0.000 -6.319 -1.721) 6.550 5.255 ( 0.000 2.569 4.695) 5.351 5.405 ( 0.000 -0.635 -1.741) 1.853 5.543 ( 0.000 2.752 1.068) 2.952 5.596 ( 0.000 1.902 -2.099) 2.833 5.749 ( 0.000 -2.686 -0.697) 2.774 5.783 ( 0.000 -3.248 -4.069) 5.207 5.932 ( 0.000 -3.985 -1.840) 4.389 5.989 ( 0.000 -4.094 -4.276) 5.920 6.100 ( 0.000 2.821 6.897) 7.451 6.260 ( 0.000 3.524 -8.257) 8.978 6.488 ( 0.000 -10.247 4.543) 11.209 6.579 ( 0.000 -11.815 -5.419) 12.998 6.870 ( 0.000 -8.599 4.860) 9.877 6.938 ( 0.000 -3.420 -1.939) 3.932 7.097 ( 0.000 1.837 -1.582) 2.425 7.111 ( 0.000 1.856 -2.971) 3.503 7.356 ( 0.000 4.217 7.353) 8.476 7.493 ( 0.000 1.949 -4.795) 5.176 8.007 ( 0.000 -1.021 3.672) 3.812 8.077 ( 0.000 1.943 -3.035) 3.604 8.455 ( 0.000 5.614 2.816) 6.280 8.516 ( 0.000 6.210 -3.648) 7.202 8.759 ( 0.000 1.838 2.053) 2.755 8.806 ( 0.000 1.432 -3.240) 3.543 9.270 ( 0.000 -3.687 4.589) 5.887 9.328 ( 0.000 -1.661 -0.484) 1.730 9.677 ( 0.000 -4.805 0.069) 4.806 9.691 ( 0.000 -6.044 -1.320) 6.186 10.146 ( 0.000 -9.784 6.216) 11.592 10.342 ( 0.000 -14.446 -10.262) 17.720 11.020 ( 0.000 7.578 2.183) 7.886 11.098 ( 0.000 5.207 -5.644) 7.679 11.348 ( 0.000 7.042 4.925) 8.593 11.471 ( 0.000 6.229 -6.597) 9.073 12.823 ( 0.000 -4.709 19.439) 20.002 13.128 ( 0.000 -11.977 -9.630) 15.369 15.703 ( 0.000 -2.843 3.009) 4.139 15.758 ( 0.000 -3.984 -2.092) 4.500 16.149 ( 0.000 9.913 4.773) 11.002 16.269 ( 0.000 12.326 -7.485) 14.421 16.749 ( 0.000 1.439 6.457) 6.615 16.892 ( 0.000 -0.003 -7.497) 7.497 17.554 ( 0.000 7.530 0.660) 7.559 17.583 ( 0.000 4.836 -1.981) 5.226 17.835 ( 0.000 2.257 3.035) 3.783 17.898 ( 0.000 3.034 -3.122) 4.354 19.261 ( 0.000 -8.599 5.557) 10.238 19.362 ( 0.000 -12.627 -3.673) 13.151 19.973 ( 0.000 -2.461 2.777) 3.711 20.019 ( 0.000 -0.364 -1.533) 1.576 20.178 ( 0.000 -4.932 4.108) 6.418 20.250 ( 0.000 -2.346 -2.842) 3.685 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 5.916 7.060 18.867) 20.996 1.360 ( 14.348 6.836 15.650) 22.305 1.518 ( 1.743 4.125 -12.196) 12.992 1.708 ( 7.295 4.835 -14.143) 16.632 1.908 ( 5.394 4.189 2.701) 7.344 1.997 ( 3.262 7.050 -6.010) 9.821 2.287 ( -0.713 0.008 6.787) 6.824 2.320 ( -0.216 -2.320 -0.541) 2.392 2.420 ( 7.868 5.608 21.233) 23.328 2.640 ( -2.295 -1.987 4.618) 5.526 2.696 ( -0.284 -3.271 -0.091) 3.284 2.756 ( 1.286 0.668 -3.626) 3.905 2.933 ( -1.576 4.299 1.841) 4.935 3.019 ( 1.930 2.681 -1.994) 3.858 3.077 ( 6.226 5.182 0.944) 8.155 3.146 ( 2.086 2.108 -3.631) 4.688 3.337 ( -1.448 0.209 4.293) 4.535 3.387 ( -1.939 -2.390 1.157) 3.287 3.447 ( -0.179 2.324 -2.766) 3.617 3.533 ( 0.695 2.655 -7.037) 7.553 3.616 ( 4.469 3.125 0.278) 5.460 3.729 ( 3.809 1.978 -9.152) 10.108 3.996 ( 7.537 3.569 10.246) 13.211 4.126 ( 5.719 5.675 0.371) 8.066 4.242 ( 6.338 6.292 -4.560) 10.027 4.363 ( -3.052 3.858 -8.661) 9.961 4.457 ( 0.696 -3.207 1.288) 3.526 4.557 ( 2.194 0.867 -7.769) 8.119 4.828 ( 6.230 -1.600 11.940) 13.563 5.013 ( 4.016 0.875 -1.279) 4.304 5.100 ( 3.852 0.016 2.390) 4.533 5.184 ( 1.909 -5.459 -1.128) 5.892 5.275 ( 2.989 0.378 7.688) 8.257 5.419 ( 0.712 0.100 -1.016) 1.244 5.568 ( 4.643 1.006 3.603) 5.963 5.635 ( 3.915 -1.212 -3.494) 5.386 5.833 ( 6.098 -2.922 -0.264) 6.767 5.881 ( 7.748 -0.241 -4.313) 8.871 5.951 ( 3.120 -3.580 3.343) 5.807 6.061 ( 4.330 -2.720 -3.808) 6.376 6.159 ( 5.684 1.689 2.477) 6.426 6.287 ( 2.816 3.485 -7.317) 8.580 6.422 ( -6.203 -8.015 7.446) 12.576 6.569 ( -0.670 -11.152 -6.538) 12.944 6.800 ( -3.967 -2.844 3.398) 5.947 6.889 ( -3.468 -0.540 -4.009) 5.328 7.101 ( 0.813 -1.080 -0.139) 1.359 7.151 ( 3.075 0.760 -4.067) 5.155 7.393 ( 3.695 4.763 6.427) 8.812 7.523 ( 2.988 3.375 -5.256) 6.924 8.043 ( 3.070 -2.405 4.427) 5.900 8.108 ( 3.515 -0.613 -2.066) 4.123 8.451 ( 0.028 5.132 2.402) 5.666 8.506 ( -0.187 4.092 -3.380) 5.311 8.823 ( 4.542 1.052 2.461) 5.272 8.873 ( 5.033 1.484 -3.016) 6.052 9.241 ( -2.308 -3.054 4.264) 5.730 9.323 ( -0.823 -2.475 -2.480) 3.599 9.694 ( 2.674 -4.431 2.172) 5.613 9.742 ( 4.223 -4.389 -1.770) 6.343 10.150 ( 0.384 -9.403 5.145) 10.725 10.306 ( -3.357 -12.493 -8.015) 15.218 11.024 ( 0.358 6.138 2.055) 6.483 11.103 ( 0.865 5.174 -6.237) 8.150 11.346 ( -0.131 5.703 4.713) 7.400 11.468 ( -0.274 5.064 -6.543) 8.278 12.674 ( -14.713 -3.748 16.060) 22.101 12.899 ( -21.395 -7.984 -4.775) 23.330 15.757 ( 5.106 -2.362 2.793) 6.281 15.802 ( 4.816 -3.072 -1.412) 5.884 16.179 ( 2.571 8.942 2.934) 9.756 16.279 ( 1.549 10.323 -7.040) 12.591 16.841 ( 8.357 1.474 6.037) 10.414 16.977 ( 7.247 -0.516 -7.161) 10.201 17.514 ( -2.319 4.094 3.203) 5.692 17.582 ( 0.158 3.237 -3.431) 4.719 17.865 ( 1.994 3.286 2.431) 4.548 17.924 ( 2.039 4.340 -3.484) 5.927 19.270 ( 0.952 -7.839 5.620) 9.692 19.376 ( 1.339 -11.285 -4.290) 12.146 19.949 ( -2.549 -3.194 2.852) 4.983 19.995 ( -3.309 -1.478 -1.257) 3.836 20.116 ( -4.671 -2.515 4.985) 7.280 20.210 ( -4.032 -1.870 -4.069) 6.025 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 9.002 10.216 12.488) 18.475 1.544 ( 4.202 7.362 -10.164) 13.235 1.667 ( 13.633 6.444 10.902) 18.607 1.837 ( 6.157 4.103 -4.633) 8.730 2.025 ( 5.640 3.980 -1.007) 6.975 2.064 ( 3.625 6.276 -3.641) 8.111 2.277 ( -0.102 -0.959 1.647) 1.908 2.316 ( 0.198 -0.009 -2.221) 2.230 2.546 ( 1.731 -0.179 7.236) 7.442 2.602 ( -1.145 -1.118 3.697) 4.028 2.696 ( 0.468 0.747 3.716) 3.819 2.743 ( -2.292 2.145 0.966) 3.285 2.889 ( -2.642 2.691 0.599) 3.818 3.003 ( -2.887 5.974 -6.949) 9.608 3.179 ( -0.434 0.267 2.703) 2.750 3.242 ( 5.363 -0.617 -0.148) 5.401 3.334 ( 2.873 3.866 4.138) 6.351 3.383 ( 2.815 -3.899 1.610) 5.071 3.488 ( 5.725 0.317 -0.212) 5.737 3.563 ( 3.914 2.905 -4.151) 6.402 3.722 ( 5.997 1.634 -0.044) 6.216 3.854 ( 10.056 4.442 -11.455) 15.877 4.126 ( 4.869 2.004 6.324) 8.229 4.247 ( 2.377 5.639 1.829) 6.387 4.310 ( 2.482 2.911 -3.818) 5.404 4.319 ( 0.503 5.424 -8.331) 9.954 4.518 ( 6.041 0.386 1.295) 6.190 4.632 ( 5.904 1.267 -7.696) 9.782 4.985 ( 9.140 -1.943 9.576) 13.380 5.107 ( 5.219 -0.863 3.173) 6.168 5.196 ( 4.422 -2.417 -4.082) 6.485 5.234 ( 4.190 -3.723 -3.912) 6.835 5.377 ( 6.516 -0.822 8.867) 11.034 5.452 ( 3.091 -0.166 3.230) 4.473 5.645 ( 1.541 -5.468 4.068) 6.987 5.749 ( 6.070 -3.046 -1.822) 7.031 5.918 ( 0.691 0.935 4.092) 4.254 5.975 ( 3.662 -2.906 8.095) 9.348 6.042 ( 3.885 -2.535 -5.066) 6.869 6.154 ( 9.258 -0.542 -6.743) 11.466 6.263 ( 5.480 1.337 2.287) 6.086 6.333 ( 0.224 1.467 6.702) 6.864 6.377 ( 5.025 3.793 -4.839) 7.941 6.539 ( -3.075 -5.812 -9.379) 11.455 6.776 ( 1.167 -1.396 4.362) 4.726 6.866 ( 1.118 2.233 -2.149) 3.295 7.151 ( 4.723 -0.829 1.190) 4.941 7.243 ( 6.743 0.462 -6.406) 9.312 7.487 ( 6.115 2.748 3.373) 7.505 7.597 ( 4.762 2.831 -5.699) 7.948 8.102 ( 3.089 -2.155 4.812) 6.111 8.186 ( 3.637 -1.682 -2.889) 4.940 8.465 ( 1.587 2.682 3.311) 4.547 8.529 ( 2.324 0.420 -2.475) 3.421 8.855 ( -1.860 -0.403 5.532) 5.850 8.935 ( 0.660 1.500 -3.518) 3.881 9.214 ( -0.097 -1.822 1.418) 2.311 9.292 ( -2.092 -3.670 -4.943) 6.502 9.768 ( 3.184 -2.960 4.278) 6.099 9.814 ( 2.740 -2.979 0.238) 4.055 10.170 ( 2.462 -7.216 2.160) 7.924 10.253 ( -0.678 -7.908 -5.075) 9.420 11.038 ( 1.182 3.957 2.982) 5.094 11.131 ( 1.771 3.839 -5.610) 7.025 11.348 ( 0.429 2.910 3.716) 4.739 11.464 ( 0.007 2.627 -6.327) 6.851 12.322 ( -20.994 -2.230 9.841) 23.293 12.436 ( -25.327 -3.263 -0.433) 25.540 15.872 ( 6.663 0.054 2.954) 7.289 15.930 ( 7.828 -1.862 -1.948) 8.279 16.233 ( 3.284 7.978 2.883) 9.096 16.336 ( 4.186 6.677 -6.341) 10.115 17.003 ( 7.621 1.513 3.998) 8.738 17.099 ( 4.786 0.140 -5.124) 7.013 17.508 ( 1.727 -0.896 5.392) 5.732 17.607 ( 2.003 -1.702 -4.272) 5.016 17.875 ( -0.762 3.852 3.586) 5.318 17.960 ( 1.915 7.396 -4.999) 9.130 19.293 ( 1.135 -5.930 5.239) 7.994 19.399 ( 0.420 -7.646 -4.811) 9.043 19.879 ( -5.590 -5.038 2.605) 7.963 19.888 ( -5.255 -3.282 1.524) 6.381 20.056 ( -2.078 -0.030 1.540) 2.587 20.118 ( -5.184 -0.398 -3.840) 6.464 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 8.213 12.329 6.207) 16.062 1.613 ( 2.915 10.967 -7.700) 13.713 1.900 ( 8.648 3.401 6.330) 11.244 1.942 ( 5.653 3.838 2.303) 7.211 2.097 ( 2.929 4.568 -0.004) 5.426 2.143 ( 5.311 2.722 -3.524) 6.930 2.287 ( 1.513 1.066 1.892) 2.646 2.351 ( 3.356 4.190 -3.117) 6.207 2.507 ( -4.320 1.140 2.848) 5.298 2.565 ( -3.335 -2.579 -2.030) 4.679 2.666 ( -3.096 0.753 3.593) 4.802 2.709 ( -1.714 2.768 0.862) 3.368 2.843 ( -2.040 1.568 0.250) 2.585 2.947 ( -2.101 5.052 -5.265) 7.593 3.086 ( -6.551 0.996 1.063) 6.711 3.216 ( -5.603 -1.858 -8.815) 10.609 3.405 ( 2.477 0.623 3.413) 4.263 3.469 ( 3.832 3.868 -3.416) 6.428 3.655 ( 8.063 -0.516 4.474) 9.236 3.707 ( 9.578 -0.920 -0.332) 9.628 3.847 ( 8.426 2.407 8.110) 11.940 4.030 ( 2.087 -0.431 -5.526) 5.923 4.186 ( 7.291 2.737 -0.014) 7.788 4.284 ( 0.788 3.018 -5.774) 6.563 4.311 ( 3.066 4.261 -0.474) 5.271 4.381 ( 1.579 5.067 -7.260) 8.993 4.680 ( 10.492 0.952 3.516) 11.106 4.777 ( 9.474 0.303 -5.112) 10.770 5.111 ( 3.694 -2.514 4.374) 6.253 5.179 ( -0.193 -2.569 0.083) 2.578 5.247 ( 5.185 -0.442 2.810) 5.914 5.343 ( 1.674 -0.251 -2.798) 3.271 5.458 ( 2.874 -4.970 3.691) 6.826 5.496 ( 1.102 -2.939 0.940) 3.277 5.658 ( 0.106 -3.553 6.688) 7.574 5.724 ( -3.895 -1.531 0.570) 4.224 5.957 ( 1.047 -3.042 4.252) 5.332 6.046 ( 2.480 -2.676 -0.295) 3.660 6.117 ( 2.166 -0.548 6.948) 7.298 6.301 ( 2.845 -0.781 0.018) 2.950 6.338 ( 7.192 0.260 -3.729) 8.105 6.373 ( -0.034 0.134 -2.738) 2.741 6.554 ( 14.675 5.470 -2.889) 15.925 6.584 ( 10.264 6.754 -4.338) 13.030 6.809 ( 1.947 1.296 5.611) 6.079 6.914 ( 3.781 3.131 -2.459) 5.491 7.246 ( 3.688 -0.734 3.037) 4.833 7.332 ( 0.178 -0.837 -3.428) 3.533 7.619 ( 7.204 1.817 0.331) 7.437 7.705 ( 6.396 1.317 -5.120) 8.298 8.167 ( 4.265 -0.699 2.219) 4.858 8.236 ( 2.277 -0.965 -3.396) 4.202 8.499 ( 1.487 0.364 4.964) 5.195 8.574 ( 2.170 -2.021 -1.703) 3.420 8.771 ( -6.365 -0.767 6.551) 9.166 8.884 ( -5.965 0.353 -5.242) 7.949 9.243 ( 3.146 -1.167 -0.789) 3.447 9.275 ( 1.005 -3.218 -3.478) 4.844 9.744 ( -4.428 -4.755 5.618) 8.590 9.822 ( -3.190 -3.609 -2.290) 5.333 10.274 ( 8.705 -2.682 1.705) 9.267 10.323 ( 7.314 -1.011 -2.667) 7.851 11.058 ( 0.501 2.391 4.594) 5.203 11.156 ( 0.273 1.057 -4.505) 4.635 11.363 ( 1.338 1.049 4.339) 4.660 11.478 ( 1.688 0.246 -5.753) 6.000 11.930 ( -19.363 -1.483 4.958) 20.043 11.995 ( -20.233 -1.480 -0.981) 20.311 15.992 ( 5.657 2.900 2.536) 6.844 16.058 ( 4.804 1.508 -3.420) 6.087 16.315 ( 5.467 5.044 4.776) 8.839 16.418 ( 3.924 3.950 -4.541) 7.185 17.123 ( 5.554 0.736 0.940) 5.681 17.170 ( 3.650 0.561 -3.240) 4.913 17.527 ( -1.680 -4.155 4.215) 6.152 17.605 ( -3.215 -4.899 -3.596) 6.875 17.891 ( 3.922 5.957 6.364) 9.558 18.011 ( 3.505 8.170 -5.440) 10.423 19.293 ( -1.458 -4.104 3.003) 5.290 19.370 ( -3.585 -4.188 -4.155) 6.903 19.788 ( -2.092 -3.941 4.249) 6.161 19.836 ( -0.772 -5.565 -0.161) 5.621 20.016 ( -2.470 -0.116 -0.669) 2.562 20.025 ( -4.422 -0.106 -1.771) 4.764 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 4.649 13.096 0.934) 13.928 1.640 ( -0.347 12.898 -3.649) 13.409 1.971 ( 1.962 2.304 2.565) 3.967 2.002 ( -0.750 2.821 -0.054) 2.920 2.211 ( 8.178 3.214 3.111) 9.321 2.262 ( 5.468 2.156 -1.548) 6.078 2.341 ( 2.935 2.521 4.612) 6.020 2.392 ( -2.933 3.250 3.361) 5.519 2.412 ( -1.262 3.905 -1.124) 4.255 2.489 ( -4.481 1.605 -2.908) 5.578 2.612 ( -0.914 1.746 -0.692) 2.088 2.661 ( -3.764 1.976 -3.187) 5.313 2.838 ( 2.399 0.423 3.451) 4.224 2.913 ( -3.819 0.094 3.886) 5.449 3.008 ( 1.153 1.877 -9.434) 9.688 3.095 ( -6.390 -0.741 -10.853) 12.617 3.456 ( 2.996 3.565 2.075) 5.098 3.498 ( -0.696 5.449 -2.716) 6.128 3.764 ( 3.879 -0.707 3.460) 5.246 3.797 ( 0.758 -1.010 0.230) 1.284 3.973 ( 2.524 -1.760 2.709) 4.100 4.011 ( -1.515 -0.786 -0.954) 1.955 4.286 ( 4.621 1.533 0.127) 4.871 4.350 ( 0.403 1.145 0.045) 1.215 4.382 ( 2.400 3.533 -3.335) 5.419 4.395 ( 2.271 5.139 -6.496) 8.589 4.896 ( 11.508 -0.346 3.940) 12.168 4.966 ( 7.906 -2.442 -2.206) 8.563 5.134 ( -1.943 -1.359 1.436) 2.772 5.155 ( -1.519 -2.257 -0.874) 2.858 5.253 ( -3.591 2.159 3.705) 5.593 5.292 ( -4.116 0.551 -0.719) 4.215 5.514 ( 2.841 -6.513 1.097) 7.189 5.525 ( 1.951 -6.496 0.072) 6.783 5.708 ( 4.538 -0.422 3.199) 5.568 5.712 ( 2.651 0.648 1.930) 3.343 5.864 ( -6.617 -0.427 3.977) 7.733 5.928 ( -10.578 -0.854 -1.551) 10.725 6.243 ( 6.841 -1.990 2.708) 7.622 6.315 ( -1.594 -3.717 -4.262) 5.875 6.422 ( 6.691 1.587 5.472) 8.788 6.488 ( 2.680 2.178 0.579) 3.502 6.720 ( 2.858 6.724 -1.050) 7.381 6.752 ( 2.064 6.461 -3.633) 7.694 6.942 ( 13.663 1.499 4.997) 14.625 7.049 ( 10.335 1.190 -4.121) 11.190 7.210 ( -8.780 0.159 1.555) 8.918 7.253 ( -6.610 1.781 -1.772) 7.071 7.734 ( 4.906 2.037 1.266) 5.462 7.785 ( 0.536 1.364 -1.603) 2.172 8.267 ( 5.188 -1.793 -1.333) 5.649 8.290 ( 2.632 -2.279 -2.730) 4.425 8.525 ( 2.336 0.795 5.777) 6.282 8.611 ( -0.699 -0.285 -0.862) 1.146 8.641 ( -3.503 -1.404 3.261) 4.988 8.737 ( -8.201 -0.917 -4.996) 9.647 9.311 ( 3.448 -2.299 -0.578) 4.184 9.327 ( 2.616 -2.118 -2.136) 3.987 9.668 ( -1.755 -5.532 3.109) 6.584 9.719 ( -6.006 -5.108 -2.149) 8.172 10.445 ( 6.926 2.288 1.274) 7.405 10.461 ( 5.114 3.169 -0.194) 6.019 11.060 ( 0.572 0.235 3.351) 3.408 11.113 ( -4.343 -1.210 -1.879) 4.885 11.419 ( 5.077 -0.042 6.244) 8.048 11.514 ( -0.169 -1.541 -0.584) 1.656 11.643 ( -7.946 -0.731 -1.066) 8.051 11.705 ( -10.182 -1.247 -4.747) 11.303 16.076 ( 3.038 4.688 0.654) 5.624 16.103 ( 0.267 4.555 -1.932) 4.955 16.418 ( 4.475 2.524 3.141) 6.022 16.461 ( 0.132 2.521 -0.782) 2.642 17.223 ( 4.837 -0.626 -0.294) 4.886 17.250 ( 3.482 -0.274 -2.868) 4.519 17.456 ( -3.210 -3.653 1.858) 5.206 17.502 ( -6.350 -3.911 -2.783) 7.961 18.000 ( 5.763 6.164 4.626) 9.624 18.057 ( 0.171 6.955 -0.910) 7.016 19.260 ( -0.800 -3.693 -0.499) 3.812 19.290 ( -3.752 -3.456 -3.190) 6.016 19.801 ( 2.546 -3.182 4.539) 6.100 19.838 ( -0.314 -3.884 1.688) 4.246 19.956 ( -1.807 -0.943 -1.585) 2.582 19.970 ( -2.339 -1.162 -2.150) 3.383 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 12.695 14.302) 19.123 1.355 ( 0.000 10.568 15.461) 18.728 1.625 ( 0.000 7.323 -10.332) 12.665 1.731 ( 0.000 7.269 -14.209) 15.961 1.919 ( 0.000 1.404 3.458) 3.732 2.041 ( 0.000 -0.964 -7.716) 7.776 2.208 ( 0.000 -7.969 -0.006) 7.969 2.251 ( 0.000 -5.127 -2.790) 5.837 2.500 ( 0.000 2.714 9.956) 10.319 2.604 ( 0.000 -3.195 -2.354) 3.968 2.715 ( 0.000 11.712 13.710) 18.031 2.826 ( 0.000 5.575 0.787) 5.630 3.003 ( 0.000 1.998 2.899) 3.521 3.056 ( 0.000 2.001 -0.835) 2.168 3.129 ( 0.000 5.373 2.424) 5.894 3.212 ( 0.000 4.882 -2.216) 5.361 3.318 ( 0.000 -3.590 2.205) 4.213 3.352 ( 0.000 -2.564 -2.171) 3.360 3.526 ( 0.000 1.728 0.889) 1.943 3.551 ( 0.000 1.230 -1.791) 2.172 3.713 ( 0.000 9.954 0.336) 9.960 3.818 ( 0.000 9.986 -5.635) 11.466 4.021 ( 0.000 7.421 7.291) 10.403 4.166 ( 0.000 2.980 -3.375) 4.502 4.305 ( 0.000 5.729 1.137) 5.841 4.401 ( 0.000 -1.339 4.564) 4.756 4.468 ( 0.000 4.863 -2.093) 5.294 4.580 ( 0.000 3.204 -6.549) 7.291 4.743 ( 0.000 -0.555 4.407) 4.442 4.937 ( 0.000 -5.139 -6.979) 8.666 5.044 ( 0.000 -4.475 6.657) 8.021 5.079 ( 0.000 -0.598 1.761) 1.860 5.269 ( 0.000 -3.149 -1.155) 3.354 5.386 ( 0.000 0.651 -2.625) 2.705 5.549 ( 0.000 -4.465 -2.027) 4.903 5.582 ( 0.000 -2.248 -3.842) 4.451 5.712 ( 0.000 0.450 2.364) 2.406 5.810 ( 0.000 4.509 -2.258) 5.043 5.861 ( 0.000 -3.773 -1.041) 3.914 5.916 ( 0.000 -0.114 -2.142) 2.145 6.152 ( 0.000 1.014 8.538) 8.598 6.252 ( 0.000 -9.995 2.636) 10.337 6.322 ( 0.000 -6.914 -2.793) 7.457 6.369 ( 0.000 -0.790 -11.883) 11.909 6.725 ( 0.000 -5.268 7.335) 9.031 6.874 ( 0.000 -3.221 -5.376) 6.267 7.091 ( 0.000 -2.091 0.297) 2.112 7.119 ( 0.000 -1.983 -2.754) 3.394 7.423 ( 0.000 2.226 4.760) 5.254 7.486 ( 0.000 -1.010 -1.103) 1.496 8.038 ( 0.000 3.927 4.380) 5.883 8.140 ( 0.000 3.156 -4.381) 5.399 8.577 ( 0.000 6.116 1.968) 6.424 8.619 ( 0.000 4.292 -2.347) 4.892 8.807 ( 0.000 3.172 2.969) 4.345 8.869 ( 0.000 4.716 -3.640) 5.957 9.177 ( 0.000 -5.452 4.673) 7.181 9.276 ( 0.000 -3.627 -3.815) 5.264 9.566 ( 0.000 -5.010 -0.010) 5.010 9.597 ( 0.000 -3.330 -2.545) 4.191 9.901 ( 0.000 -13.228 4.616) 14.010 10.015 ( 0.000 -16.988 -5.273) 17.788 11.182 ( 0.000 8.010 0.006) 8.010 11.227 ( 0.000 6.415 -5.106) 8.199 11.472 ( 0.000 4.988 2.985) 5.813 11.572 ( 0.000 3.173 -6.145) 6.916 12.723 ( 0.000 -4.546 13.910) 14.634 12.888 ( 0.000 -10.893 -1.472) 10.992 15.679 ( 0.000 -0.033 1.630) 1.631 15.710 ( 0.000 -1.190 -1.097) 1.618 16.330 ( 0.000 7.515 4.545) 8.782 16.438 ( 0.000 4.701 -6.009) 7.629 16.791 ( 0.000 2.578 4.688) 5.350 16.890 ( 0.000 -0.295 -4.928) 4.937 17.649 ( 0.000 1.571 -0.041) 1.572 17.659 ( 0.000 1.281 -1.120) 1.701 17.972 ( 0.000 11.684 2.658) 11.983 18.049 ( 0.000 12.257 -4.932) 13.212 19.032 ( 0.000 -14.288 2.702) 14.541 19.056 ( 0.000 -15.998 1.117) 16.037 19.922 ( 0.000 -2.153 3.111) 3.783 19.985 ( 0.000 -3.250 -2.929) 4.375 20.122 ( 0.000 -0.404 4.510) 4.528 20.203 ( 0.000 -2.156 -3.215) 3.871 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.945 13.613 12.619) 20.191 1.522 ( 14.102 9.118 10.387) 19.745 1.649 ( 3.664 8.439 -6.629) 11.340 1.822 ( 6.628 5.826 -10.721) 13.886 1.971 ( 6.003 1.777 2.438) 6.719 2.076 ( 3.256 -0.770 -7.028) 7.784 2.232 ( 2.036 -4.999 0.016) 5.398 2.269 ( 2.000 -2.890 -3.205) 4.757 2.507 ( 0.944 0.152 7.650) 7.709 2.598 ( -0.445 -3.540 -2.188) 4.185 2.721 ( 0.683 9.731 11.772) 15.289 2.815 ( -1.188 3.936 0.578) 4.152 3.003 ( -0.876 3.012 2.507) 4.016 3.067 ( 2.009 2.531 -0.446) 3.262 3.185 ( 4.050 4.598 1.720) 6.365 3.226 ( 1.354 5.103 -0.938) 5.362 3.300 ( -1.154 -3.421 2.064) 4.159 3.356 ( 1.454 -0.564 -2.799) 3.204 3.506 ( -1.527 2.934 2.199) 3.971 3.563 ( 1.460 1.075 -2.659) 3.218 3.730 ( 1.600 7.919 0.862) 8.125 3.852 ( 3.797 8.672 -6.863) 11.693 4.073 ( 4.298 4.216 6.381) 8.773 4.226 ( 6.145 4.319 -1.796) 7.722 4.384 ( 6.319 4.810 -1.649) 8.111 4.399 ( -0.095 -0.230 5.663) 5.669 4.482 ( 1.173 7.563 -2.788) 8.146 4.598 ( 2.409 2.204 -8.689) 9.282 4.794 ( 5.687 -1.805 8.275) 10.202 5.001 ( 5.729 -3.594 -7.228) 9.898 5.056 ( 1.343 -4.706 2.523) 5.506 5.092 ( 1.245 -1.022 0.935) 1.862 5.269 ( 2.057 -2.278 3.567) 4.706 5.396 ( 1.048 -0.656 -2.184) 2.510 5.542 ( 0.236 -3.234 -0.621) 3.301 5.607 ( 2.763 -2.014 -3.380) 4.808 5.794 ( 6.358 -1.833 3.989) 7.726 5.882 ( 4.556 1.225 4.184) 6.305 5.909 ( 4.936 -3.414 -4.715) 7.633 5.985 ( 5.815 -1.088 -3.852) 7.060 6.206 ( 5.024 0.878 7.493) 9.064 6.246 ( 0.798 -4.584 2.880) 5.472 6.332 ( 2.423 -8.812 -3.561) 9.808 6.400 ( 3.328 2.139 -10.473) 11.195 6.722 ( -0.279 -3.723 6.489) 7.487 6.872 ( 0.659 -1.554 -6.164) 6.391 7.076 ( -0.377 -1.635 2.126) 2.708 7.147 ( 3.456 -1.671 -4.760) 6.115 7.473 ( 3.999 2.688 5.038) 6.972 7.544 ( 5.107 -0.535 -1.522) 5.356 8.036 ( 0.160 1.714 3.186) 3.621 8.118 ( -1.054 1.134 -4.191) 4.468 8.560 ( -1.611 5.501 1.275) 5.872 8.590 ( -2.064 4.354 -1.814) 5.148 8.859 ( 3.461 2.955 4.103) 6.128 8.931 ( 4.812 4.031 -3.407) 7.143 9.163 ( -0.881 -4.680 3.362) 5.829 9.252 ( -2.349 -4.520 -4.401) 6.732 9.607 ( 4.713 -3.554 2.499) 6.410 9.663 ( 5.294 -3.008 -2.259) 6.494 9.915 ( 1.816 -12.902 3.613) 13.521 10.010 ( -0.025 -15.797 -4.591) 16.451 11.168 ( -1.272 7.531 0.383) 7.648 11.222 ( -0.446 5.741 -5.388) 7.886 11.451 ( -2.007 4.368 3.073) 5.705 11.550 ( -2.114 2.505 -5.956) 6.799 12.593 ( -12.996 -3.730 12.012) 18.086 12.727 ( -15.824 -8.356 -0.328) 17.897 15.738 ( 5.969 0.207 1.825) 6.245 15.768 ( 5.963 -0.707 -0.903) 6.072 16.345 ( 1.432 7.075 3.266) 7.923 16.438 ( 0.415 5.060 -5.813) 7.718 16.879 ( 8.111 2.125 4.147) 9.355 16.965 ( 6.926 -0.672 -4.187) 8.121 17.579 ( -5.656 1.820 2.101) 6.302 17.621 ( -3.308 0.299 -2.002) 3.878 17.997 ( 1.453 10.113 3.212) 10.710 18.087 ( 3.197 11.485 -5.831) 13.271 19.055 ( 2.391 -13.675 3.578) 14.336 19.099 ( 4.307 -14.563 -0.461) 15.194 19.882 ( -4.072 -2.813 3.019) 5.797 19.935 ( -5.225 -3.975 -1.797) 6.806 20.102 ( -1.640 0.755 3.482) 3.922 20.177 ( -2.573 -1.432 -3.458) 4.542 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 10.903 14.092 8.982) 19.953 1.729 ( 7.396 10.099 -6.768) 14.230 1.811 ( 11.835 7.076 7.605) 15.747 1.930 ( 5.089 4.384 -2.078) 7.031 2.099 ( 4.805 2.348 -0.897) 5.423 2.151 ( 4.757 1.526 -3.920) 6.351 2.262 ( 1.902 -0.754 0.834) 2.209 2.338 ( 4.941 1.652 -5.499) 7.575 2.527 ( 0.873 -0.651 4.209) 4.348 2.583 ( -1.639 -1.210 -0.890) 2.223 2.727 ( -1.141 2.385 4.648) 5.347 2.783 ( -1.852 1.909 -0.614) 2.729 2.975 ( -2.012 5.151 4.844) 7.352 3.095 ( -0.079 3.694 -3.626) 5.177 3.207 ( -2.299 1.677 0.503) 2.890 3.239 ( -0.336 0.035 -1.328) 1.370 3.321 ( 3.497 -0.325 4.739) 5.899 3.437 ( 5.922 3.160 -4.246) 7.942 3.510 ( 3.583 3.142 5.094) 6.975 3.610 ( 3.736 1.082 -3.294) 5.097 3.787 ( 4.919 5.410 3.818) 8.249 3.964 ( 7.609 5.813 -10.000) 13.845 4.147 ( 2.799 1.396 6.814) 7.498 4.339 ( 1.699 1.350 -6.184) 6.554 4.396 ( 1.747 5.503 2.039) 6.123 4.439 ( 1.809 5.465 -2.498) 6.275 4.569 ( 6.254 4.293 0.598) 7.609 4.670 ( 5.173 1.756 -7.383) 9.184 4.951 ( 9.707 -1.045 9.322) 13.499 5.072 ( 2.821 -3.248 3.193) 5.358 5.134 ( 3.903 -2.738 -2.929) 5.595 5.160 ( 7.655 -1.908 -6.407) 10.163 5.350 ( 4.910 -2.064 4.227) 6.800 5.422 ( 1.382 -2.489 -0.482) 2.887 5.557 ( 1.314 -2.355 4.499) 5.245 5.666 ( 1.848 -4.879 -3.348) 6.199 5.854 ( -0.447 -7.501 4.457) 8.736 5.929 ( 1.248 -2.434 1.213) 2.992 6.017 ( 7.212 -0.174 2.448) 7.618 6.138 ( 8.811 -2.099 -5.069) 10.379 6.263 ( 4.367 1.721 5.277) 7.063 6.370 ( 2.017 -1.789 -1.188) 2.946 6.411 ( 11.549 3.039 -0.645) 11.960 6.522 ( 9.619 3.977 -7.712) 12.954 6.736 ( 2.760 -1.789 8.525) 9.138 6.912 ( 3.187 0.764 -7.082) 7.804 7.119 ( 5.094 -1.372 4.660) 7.039 7.244 ( 5.962 -0.965 -6.690) 9.013 7.550 ( 4.472 3.129 4.327) 6.965 7.644 ( 5.113 1.388 -3.304) 6.243 8.055 ( 2.116 -1.994 2.110) 3.592 8.135 ( 2.545 -3.281 -5.182) 6.640 8.524 ( -1.753 3.630 1.881) 4.448 8.563 ( -0.888 2.736 -1.610) 3.296 8.871 ( -2.584 2.186 6.312) 7.162 8.983 ( -0.658 2.875 -4.696) 5.545 9.172 ( 2.059 -2.086 0.636) 3.000 9.212 ( -1.121 -3.529 -2.936) 4.725 9.679 ( 0.208 -5.798 4.808) 7.535 9.742 ( 1.773 -4.532 -1.521) 5.099 9.994 ( 7.809 -8.943 3.056) 12.260 10.071 ( 8.187 -9.067 -3.871) 12.815 11.142 ( -1.306 5.895 1.445) 6.209 11.212 ( -0.655 3.835 -5.392) 6.649 11.410 ( -1.975 2.932 3.090) 4.695 11.505 ( -2.328 0.989 -5.495) 6.049 12.273 ( -19.652 -2.343 8.157) 21.406 12.354 ( -21.897 -4.532 0.615) 22.370 15.888 ( 9.350 1.438 2.126) 9.696 15.920 ( 9.594 0.437 -0.719) 9.631 16.379 ( 2.074 6.364 2.267) 7.067 16.462 ( 1.962 4.876 -5.586) 7.670 17.041 ( 7.709 2.056 2.602) 8.392 17.101 ( 6.238 0.030 -3.159) 6.992 17.487 ( -3.416 -1.017 4.296) 5.582 17.560 ( -2.992 -2.825 -2.850) 5.005 18.012 ( 0.671 9.591 5.582) 11.118 18.144 ( 2.832 10.474 -7.598) 13.246 19.115 ( 3.372 -11.650 4.859) 13.065 19.194 ( 4.666 -11.816 -2.817) 13.012 19.783 ( -5.587 -3.728 2.274) 7.091 19.809 ( -6.932 -4.105 -0.037) 8.056 20.067 ( -2.144 1.020 1.252) 2.684 20.112 ( -4.122 -0.223 -2.775) 4.974 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 9.198 13.850 5.127) 17.399 1.862 ( 6.141 11.908 -5.234) 14.385 1.984 ( 4.791 4.425 4.198) 7.756 2.020 ( 4.834 3.129 1.086) 5.860 2.170 ( 4.008 2.603 0.314) 4.789 2.219 ( 3.513 4.976 -4.424) 7.528 2.329 ( 4.076 1.793 3.812) 5.862 2.440 ( 5.129 1.882 -5.342) 7.641 2.529 ( -3.035 1.561 1.310) 3.656 2.545 ( 0.466 3.452 0.245) 3.492 2.676 ( -2.597 0.595 2.569) 3.701 2.751 ( -1.888 1.154 -3.848) 4.438 2.918 ( -3.718 5.494 5.758) 8.784 3.058 ( -3.838 5.449 -0.659) 6.697 3.123 ( -5.119 2.471 -3.370) 6.608 3.199 ( -4.165 -0.224 -5.556) 6.947 3.401 ( 4.768 -0.107 5.737) 7.461 3.527 ( 3.216 1.876 -5.665) 6.779 3.637 ( 7.645 -1.361 2.700) 8.221 3.712 ( 6.786 -0.366 -3.128) 7.482 3.916 ( 6.933 4.088 7.970) 11.326 4.050 ( -0.803 3.489 -2.071) 4.136 4.218 ( 5.467 0.811 -1.072) 5.630 4.290 ( -2.904 0.159 -5.346) 6.086 4.448 ( 3.507 5.897 0.053) 6.861 4.508 ( 3.069 5.654 -5.495) 8.461 4.696 ( 7.645 -0.124 2.596) 8.075 4.775 ( 5.874 -1.458 -4.622) 7.615 5.095 ( 4.688 1.762 4.976) 7.060 5.142 ( 3.117 -1.193 3.904) 5.136 5.211 ( 4.999 -1.424 -0.963) 5.286 5.298 ( 5.322 -2.835 -6.257) 8.689 5.381 ( -1.811 -1.987 4.772) 5.478 5.438 ( -0.197 -3.331 -0.605) 3.391 5.595 ( 2.701 -2.598 3.503) 5.130 5.659 ( -0.765 -4.757 -2.219) 5.305 5.869 ( 1.720 -4.976 5.129) 7.350 5.971 ( 1.304 -4.162 -2.370) 4.964 6.103 ( 2.379 -1.994 5.007) 5.892 6.217 ( -0.114 -6.203 -4.664) 7.762 6.388 ( 5.008 4.301 3.531) 7.486 6.440 ( 9.885 6.896 1.320) 12.125 6.669 ( 12.810 4.519 1.714) 13.691 6.728 ( 12.569 6.163 -3.805) 14.506 6.834 ( 6.550 2.110 6.506) 9.470 6.977 ( 3.471 1.967 -5.243) 6.589 7.222 ( 3.780 -1.148 4.938) 6.324 7.323 ( 1.394 -0.467 -3.459) 3.759 7.661 ( 7.030 2.424 0.324) 7.443 7.741 ( 5.345 2.228 -4.168) 7.135 8.116 ( 4.000 -4.516 -0.150) 6.034 8.183 ( 2.058 -4.902 -5.412) 7.586 8.506 ( 0.061 1.317 3.119) 3.386 8.556 ( 0.388 0.613 -1.423) 1.597 8.781 ( -6.357 1.769 6.178) 9.039 8.901 ( -7.240 0.745 -5.648) 9.213 9.213 ( 1.625 -1.738 0.466) 2.425 9.233 ( 3.469 0.483 -1.661) 3.876 9.617 ( -5.359 -7.689 5.579) 10.907 9.703 ( -4.957 -8.038 -3.296) 10.002 10.227 ( 15.287 -1.498 3.910) 15.850 10.294 ( 13.890 -1.926 -2.252) 14.203 11.114 ( -2.232 3.009 2.038) 4.265 11.182 ( -3.201 1.247 -4.269) 5.479 11.391 ( 0.228 1.627 3.372) 3.751 11.476 ( -0.357 -0.514 -4.504) 4.547 11.897 ( -18.873 -1.613 4.683) 19.513 11.952 ( -19.336 -2.685 -0.584) 19.530 16.066 ( 8.756 4.031 2.047) 9.854 16.104 ( 8.959 2.757 -1.276) 9.460 16.420 ( 2.232 4.941 2.947) 6.171 16.500 ( 1.621 3.407 -4.266) 5.695 17.147 ( 3.780 1.679 0.888) 4.230 17.187 ( 3.490 1.137 -2.826) 4.632 17.438 ( -2.861 -4.362 3.317) 6.182 17.497 ( -3.964 -5.562 -2.415) 7.244 18.059 ( 4.886 10.659 7.115) 13.715 18.203 ( 3.403 10.606 -7.015) 13.164 19.146 ( -0.733 -10.561 4.172) 11.379 19.229 ( -1.748 -9.880 -3.779) 10.721 19.711 ( -1.077 -2.944 2.255) 3.862 19.732 ( -0.161 -4.033 0.437) 4.059 20.015 ( -3.481 0.093 -0.480) 3.515 20.025 ( -4.973 0.021 -1.402) 5.167 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.086 13.556 2.146) 14.636 1.932 ( 0.602 13.725 -1.567) 13.827 2.026 ( 1.742 3.072 0.500) 3.567 2.060 ( -1.004 3.032 -2.049) 3.795 2.277 ( 6.913 2.897 2.112) 7.787 2.310 ( 5.222 2.625 -0.761) 5.894 2.374 ( -0.880 0.492 3.340) 3.489 2.426 ( -5.547 0.270 -0.166) 5.556 2.528 ( 3.070 6.875 1.612) 7.700 2.574 ( 1.444 6.669 -0.516) 6.843 2.660 ( 0.581 2.863 -2.560) 3.885 2.709 ( -2.745 2.354 -4.755) 5.974 2.876 ( 0.813 4.056 7.019) 8.147 2.953 ( -6.107 4.115 6.107) 9.567 3.067 ( -0.398 3.709 -9.057) 9.795 3.109 ( -4.389 2.109 -7.873) 9.258 3.493 ( 4.485 -0.053 1.381) 4.693 3.548 ( -0.997 -0.332 -4.134) 4.265 3.769 ( 6.607 -0.122 3.263) 7.370 3.850 ( 5.850 0.332 -2.396) 6.330 3.909 ( -3.725 1.134 2.492) 4.623 4.011 ( -5.663 1.640 -4.602) 7.479 4.262 ( 4.294 -2.699 4.053) 6.492 4.320 ( -0.086 -2.583 -0.256) 2.597 4.505 ( 2.793 6.475 -2.426) 7.457 4.540 ( -0.219 6.476 -5.103) 8.248 4.851 ( 7.502 -4.721 1.688) 9.023 4.887 ( 4.314 -5.898 -1.708) 7.504 5.147 ( 0.370 3.384 1.299) 3.644 5.158 ( -0.381 3.041 0.601) 3.123 5.275 ( -0.435 -0.296 2.853) 2.901 5.291 ( -1.256 0.019 2.165) 2.503 5.402 ( 1.793 -4.271 -1.511) 4.872 5.419 ( -0.226 -2.811 -2.640) 3.863 5.654 ( 3.126 -4.626 1.393) 5.755 5.676 ( 1.717 -4.016 -0.899) 4.459 5.857 ( -1.327 0.338 3.892) 4.125 5.915 ( -5.936 -0.262 -1.178) 6.058 6.167 ( 3.609 -5.526 0.337) 6.608 6.206 ( -0.698 -7.027 -3.732) 7.988 6.512 ( 7.054 7.088 9.285) 13.646 6.577 ( 2.168 6.894 4.992) 8.783 6.849 ( 5.284 3.739 1.199) 6.584 6.894 ( 2.017 5.570 -2.833) 6.566 6.978 ( 9.015 4.244 3.651) 10.612 7.063 ( 4.506 0.732 -2.171) 5.055 7.226 ( -1.186 1.209 2.177) 2.758 7.294 ( -4.326 1.256 -3.017) 5.422 7.784 ( 5.113 3.012 -0.604) 5.965 7.821 ( 1.700 2.398 -2.138) 3.635 8.186 ( 2.809 -6.469 -2.747) 7.569 8.209 ( 0.419 -6.239 -4.222) 7.545 8.540 ( 3.899 1.107 3.525) 5.371 8.596 ( 4.327 0.109 -1.745) 4.667 8.651 ( -6.633 1.703 4.178) 8.022 8.738 ( -9.153 0.690 -4.366) 10.165 9.261 ( 3.216 -2.087 1.799) 4.235 9.291 ( 1.387 -1.007 -1.034) 2.002 9.534 ( -1.570 -7.341 2.722) 7.985 9.590 ( -6.039 -7.340 -2.795) 9.907 10.506 ( 11.809 3.711 3.704) 12.921 10.537 ( 9.187 4.101 0.893) 10.101 11.045 ( -3.868 -1.923 -0.191) 4.324 11.078 ( -6.711 -2.266 -3.056) 7.714 11.424 ( 3.346 0.673 5.062) 6.105 11.485 ( -0.279 -1.151 0.658) 1.355 11.622 ( -7.536 -1.241 -0.638) 7.664 11.669 ( -9.787 -2.192 -3.788) 10.721 16.197 ( 4.624 6.925 0.754) 8.361 16.221 ( 2.571 6.727 -1.509) 7.358 16.467 ( 2.706 1.800 2.895) 4.352 16.507 ( -1.035 1.495 -0.863) 2.012 17.212 ( 3.561 -0.315 0.457) 3.604 17.247 ( 1.804 0.054 -2.869) 3.389 17.371 ( -2.477 -4.471 1.342) 5.285 17.411 ( -4.794 -4.768 -2.544) 7.224 18.177 ( 6.298 11.522 4.751) 13.964 18.245 ( -0.178 11.666 -1.731) 11.795 19.115 ( -0.796 -11.181 0.528) 11.222 19.154 ( -4.453 -10.519 -3.104) 11.837 19.748 ( 3.668 -1.414 3.537) 5.288 19.771 ( 2.302 -2.059 1.659) 3.506 19.934 ( -3.453 -1.185 -1.421) 3.917 19.945 ( -3.609 -1.303 -2.084) 4.366 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 12.395 5.341) 13.497 1.581 ( 0.000 10.548 7.987) 13.231 1.759 ( 0.000 4.085 -1.035) 4.215 1.840 ( 0.000 -2.007 -2.369) 3.105 1.902 ( 0.000 -0.400 -1.118) 1.187 1.957 ( 0.000 -4.372 -1.690) 4.688 2.054 ( 0.000 -3.773 -5.205) 6.428 2.129 ( 0.000 -6.826 -7.033) 9.801 2.527 ( 0.000 1.831 2.479) 3.082 2.563 ( 0.000 -1.600 -0.913) 1.842 2.900 ( 0.000 2.109 0.286) 2.128 2.905 ( 0.000 2.493 1.355) 2.838 3.086 ( 0.000 3.190 1.795) 3.660 3.102 ( 0.000 7.435 1.811) 7.652 3.169 ( 0.000 -2.406 5.232) 5.759 3.249 ( 0.000 -3.136 0.004) 3.136 3.274 ( 0.000 3.446 0.802) 3.538 3.364 ( 0.000 -0.645 -2.884) 2.956 3.507 ( 0.000 1.111 4.322) 4.463 3.571 ( 0.000 -1.838 -1.521) 2.386 3.921 ( 0.000 9.535 4.368) 10.488 3.996 ( 0.000 4.579 0.122) 4.580 4.159 ( 0.000 4.945 3.859) 6.273 4.209 ( 0.000 1.686 4.741) 5.032 4.359 ( 0.000 0.847 7.246) 7.295 4.382 ( 0.000 -1.351 8.913) 9.015 4.562 ( 0.000 3.824 -2.044) 4.336 4.662 ( 0.000 3.849 -7.448) 8.383 4.700 ( 0.000 -3.931 -4.455) 5.941 4.803 ( 0.000 -5.146 -10.489) 11.683 5.009 ( 0.000 -0.027 -1.517) 1.517 5.063 ( 0.000 -2.836 -4.724) 5.510 5.218 ( 0.000 3.633 7.581) 8.407 5.387 ( 0.000 -10.147 5.061) 11.339 5.437 ( 0.000 3.810 -9.217) 9.974 5.530 ( 0.000 -4.224 -6.726) 7.942 5.743 ( 0.000 3.390 2.650) 4.303 5.803 ( 0.000 -0.837 -2.393) 2.535 5.895 ( 0.000 0.835 2.051) 2.215 5.932 ( 0.000 -1.676 -1.443) 2.212 6.094 ( 0.000 0.166 4.889) 4.891 6.152 ( 0.000 -4.435 2.068) 4.893 6.238 ( 0.000 3.285 3.162) 4.559 6.349 ( 0.000 -5.012 -3.239) 5.968 6.707 ( 0.000 3.585 -2.968) 4.654 6.801 ( 0.000 -4.490 -8.607) 9.707 7.044 ( 0.000 -1.538 0.338) 1.575 7.057 ( 0.000 -2.810 -0.996) 2.982 7.456 ( 0.000 1.174 1.941) 2.268 7.472 ( 0.000 -0.585 0.300) 0.657 8.125 ( 0.000 3.847 3.315) 5.078 8.170 ( 0.000 -0.451 -0.356) 0.575 8.679 ( 0.000 3.427 1.215) 3.636 8.690 ( 0.000 2.265 0.016) 2.265 8.890 ( 0.000 5.090 4.204) 6.602 8.962 ( 0.000 1.805 -0.231) 1.820 9.082 ( 0.000 -1.019 -0.590) 1.177 9.179 ( 0.000 -6.248 -7.239) 9.563 9.515 ( 0.000 0.297 1.214) 1.250 9.550 ( 0.000 -1.757 -1.977) 2.645 9.693 ( 0.000 -5.957 1.210) 6.079 9.729 ( 0.000 -9.865 -2.013) 10.068 11.308 ( 0.000 3.906 -1.384) 4.144 11.320 ( 0.000 2.487 -2.913) 3.830 11.547 ( 0.000 2.872 -0.191) 2.879 11.590 ( 0.000 -1.098 -3.998) 4.146 12.669 ( 0.000 -0.337 8.503) 8.510 12.721 ( 0.000 -5.620 3.706) 6.732 15.687 ( 0.000 0.565 0.736) 0.928 15.696 ( 0.000 -0.418 -0.106) 0.432 16.440 ( 0.000 3.605 1.564) 3.930 16.477 ( 0.000 -0.205 -2.114) 2.124 16.842 ( 0.000 2.304 2.086) 3.108 16.877 ( 0.000 -1.178 -1.287) 1.745 17.655 ( 0.000 -0.144 -0.001) 0.144 17.658 ( 0.000 -0.485 -0.320) 0.581 18.237 ( 0.000 13.044 2.519) 13.285 18.302 ( 0.000 9.663 -3.830) 10.394 18.738 ( 0.000 -11.281 2.694) 11.598 18.777 ( 0.000 -12.145 -1.225) 12.206 19.899 ( 0.000 -0.050 1.505) 1.505 19.922 ( 0.000 -2.402 -0.625) 2.482 20.136 ( 0.000 1.254 1.087) 1.660 20.165 ( 0.000 -1.675 -1.577) 2.300 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 8.303 12.711 6.112) 16.367 1.707 ( 10.926 8.472 5.181) 14.764 1.806 ( 4.902 5.126 0.886) 7.148 1.882 ( 3.889 -0.839 -2.923) 4.937 1.967 ( 6.595 -3.878 1.144) 7.736 1.996 ( 3.916 -4.059 -1.189) 5.764 2.133 ( 7.570 -1.903 -5.533) 9.568 2.190 ( 6.180 -4.794 -7.568) 10.883 2.514 ( -0.656 1.361 2.278) 2.733 2.547 ( -1.005 -1.880 -0.931) 2.326 2.863 ( -3.605 2.869 0.574) 4.643 2.880 ( -2.858 1.491 -0.280) 3.235 3.095 ( 0.353 5.166 4.076) 6.589 3.138 ( 2.306 5.840 0.990) 6.357 3.187 ( 1.964 -4.208 3.110) 5.589 3.249 ( -0.016 -2.859 -0.340) 2.879 3.305 ( 2.951 4.421 2.209) 5.756 3.384 ( 2.285 -0.151 -3.054) 3.817 3.516 ( 1.305 1.097 3.075) 3.516 3.571 ( 0.257 -1.591 -1.557) 2.240 3.916 ( -0.037 8.690 1.748) 8.864 3.985 ( 0.774 2.775 -1.948) 3.478 4.173 ( 1.153 6.138 8.322) 10.405 4.283 ( 4.535 -1.108 7.266) 8.636 4.388 ( 1.795 1.230 1.814) 2.833 4.432 ( 5.813 -0.609 1.554) 6.048 4.615 ( 2.804 2.336 -2.217) 4.270 4.646 ( 1.089 3.534 -3.164) 4.867 4.753 ( 6.590 0.060 0.009) 6.590 4.880 ( 5.630 -7.933 -6.302) 11.591 5.012 ( 1.990 1.152 -3.157) 3.905 5.073 ( 1.742 -2.728 -6.384) 7.158 5.259 ( 4.162 5.016 7.102) 9.639 5.415 ( 0.855 -3.086 0.987) 3.351 5.447 ( 2.630 -1.724 -4.980) 5.890 5.538 ( 1.118 -4.969 -5.418) 7.436 5.765 ( 0.331 0.998 2.074) 2.325 5.811 ( 0.261 -3.438 -1.830) 3.903 5.944 ( 4.364 1.227 2.643) 5.247 5.973 ( 4.876 -1.407 -0.212) 5.080 6.187 ( 8.457 0.870 3.292) 9.116 6.205 ( 6.648 -1.936 1.370) 7.058 6.276 ( 4.970 3.780 4.337) 7.603 6.386 ( 4.181 -4.991 -2.016) 6.816 6.720 ( 1.220 3.855 -2.623) 4.820 6.814 ( 1.481 -4.373 -8.111) 9.333 7.053 ( 1.779 0.065 0.814) 1.958 7.090 ( 3.750 -3.239 -2.977) 5.781 7.507 ( 4.723 1.182 2.569) 5.505 7.528 ( 5.249 -0.938 0.528) 5.358 8.088 ( -3.058 2.769 1.733) 4.475 8.125 ( -3.636 -0.737 -1.323) 3.939 8.654 ( -2.363 3.445 1.038) 4.304 8.668 ( -2.415 2.405 -0.291) 3.421 8.944 ( 3.428 5.277 3.895) 7.400 9.016 ( 4.378 2.906 -0.770) 5.311 9.069 ( -0.071 -2.891 -0.272) 2.905 9.150 ( -1.918 -5.757 -5.680) 8.311 9.577 ( 4.195 1.292 3.369) 5.533 9.639 ( 6.859 0.886 -2.466) 7.342 9.689 ( 0.899 -8.935 1.761) 9.151 9.740 ( 3.327 -9.666 -2.785) 10.595 11.289 ( -1.845 3.879 -1.266) 4.478 11.305 ( -1.530 2.154 -3.036) 4.025 11.518 ( -2.777 2.657 -0.032) 3.844 11.561 ( -2.877 -1.246 -3.775) 4.907 12.549 ( -12.132 -0.249 7.623) 14.330 12.593 ( -12.857 -4.670 3.563) 14.135 15.750 ( 6.490 0.743 0.929) 6.598 15.761 ( 6.556 -0.298 -0.010) 6.563 16.451 ( 1.123 3.550 0.939) 3.840 16.486 ( 0.960 0.100 -2.478) 2.659 16.919 ( 7.398 1.807 1.846) 7.836 16.948 ( 6.888 -1.108 -0.966) 7.043 17.596 ( -5.514 0.474 0.781) 5.589 17.610 ( -4.615 -0.897 -0.527) 4.731 18.231 ( -0.666 11.594 2.995) 11.993 18.305 ( 0.178 7.060 -4.260) 8.247 18.791 ( 5.287 -8.981 3.034) 10.855 18.839 ( 6.057 -11.037 -1.699) 12.704 19.849 ( -4.913 -0.398 1.436) 5.134 19.869 ( -5.331 -2.332 -0.290) 5.827 20.125 ( -1.157 1.326 0.730) 1.905 20.151 ( -1.532 -1.289 -1.624) 2.578 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 8.607 10.960 5.049) 14.822 1.895 ( 8.262 4.784 0.928) 9.592 1.921 ( 6.484 3.741 0.983) 7.550 1.980 ( 5.539 0.140 -0.836) 5.604 2.084 ( 6.877 -1.365 4.088) 8.116 2.142 ( 9.526 -4.174 2.209) 10.633 2.266 ( 5.261 2.980 -6.506) 8.882 2.333 ( 7.030 -2.431 -8.656) 11.413 2.536 ( 3.448 1.142 2.341) 4.322 2.559 ( 2.769 -1.128 0.182) 2.995 2.780 ( -4.761 2.502 0.062) 5.379 2.808 ( -4.050 0.049 -2.446) 4.732 3.078 ( -2.067 5.070 5.196) 7.548 3.150 ( -0.710 -0.367 0.747) 1.094 3.216 ( -0.294 0.266 -0.949) 1.028 3.235 ( -1.526 0.163 -0.267) 1.558 3.370 ( 3.509 4.056 3.003) 6.147 3.447 ( 3.817 -2.126 -2.840) 5.211 3.559 ( 2.870 1.666 2.069) 3.910 3.601 ( 3.072 -1.695 -1.036) 3.659 3.945 ( 3.277 8.889 1.897) 9.662 4.041 ( 4.517 0.457 -6.365) 7.818 4.211 ( 2.973 5.226 8.564) 10.464 4.335 ( 0.897 -4.367 6.467) 7.855 4.435 ( 2.617 2.497 -5.646) 6.705 4.498 ( 1.687 -1.217 -3.661) 4.210 4.645 ( 1.577 3.050 -0.879) 3.544 4.684 ( 1.026 -0.408 -5.018) 5.138 4.944 ( 11.434 0.622 8.285) 14.133 4.993 ( 7.069 -3.892 6.651) 10.457 5.120 ( 7.553 1.318 -6.594) 10.113 5.157 ( 7.639 -0.619 -7.376) 10.637 5.341 ( 3.534 3.487 3.768) 6.232 5.414 ( -0.505 1.168 -1.178) 1.734 5.513 ( 2.943 -3.082 -0.755) 4.328 5.562 ( 0.608 -5.309 -3.256) 6.257 5.747 ( -0.215 -1.104 1.938) 2.241 5.812 ( 0.926 -6.537 -3.989) 7.714 6.034 ( 4.068 1.310 3.502) 5.525 6.080 ( 4.592 -3.032 -1.057) 5.603 6.335 ( 7.983 4.531 6.955) 11.517 6.386 ( 10.191 2.223 5.424) 11.757 6.468 ( 13.437 1.682 -0.073) 13.542 6.530 ( 11.647 -3.094 -2.320) 12.272 6.764 ( 4.485 4.490 0.699) 6.385 6.864 ( 4.018 -4.800 -5.489) 8.326 7.130 ( 5.874 2.327 0.409) 6.332 7.195 ( 6.531 -3.619 -5.249) 9.127 7.605 ( 5.347 2.467 3.899) 7.062 7.644 ( 6.616 -1.248 0.658) 6.765 8.039 ( -1.661 0.538 -1.591) 2.362 8.073 ( -1.343 -2.648 -4.346) 5.263 8.600 ( -3.036 3.045 0.801) 4.374 8.615 ( -2.712 1.653 -0.557) 3.224 8.931 ( -4.142 3.532 2.379) 5.941 8.998 ( -4.741 -2.285 -3.912) 6.557 9.160 ( 6.075 1.443 1.034) 6.329 9.180 ( 4.779 -0.192 -0.776) 4.845 9.573 ( -3.730 -3.030 3.756) 6.099 9.619 ( -4.144 -6.673 -0.908) 7.907 9.889 ( 15.456 -1.083 1.877) 15.607 9.930 ( 14.876 -4.785 -1.860) 15.737 11.243 ( -2.986 3.535 -0.951) 4.725 11.266 ( -2.629 1.145 -3.246) 4.332 11.459 ( -2.937 2.175 0.381) 3.674 11.498 ( -3.219 -1.483 -3.123) 4.724 12.245 ( -18.942 -0.106 5.584) 19.748 12.275 ( -19.581 -3.027 2.807) 20.012 15.918 ( 10.726 1.234 1.255) 10.869 15.929 ( 10.764 0.113 0.233) 10.768 16.478 ( 1.610 3.491 0.369) 3.862 16.512 ( 1.613 0.254 -2.892) 3.321 17.077 ( 8.048 1.455 0.861) 8.224 17.097 ( 7.653 -0.534 -1.034) 7.741 17.478 ( -6.301 0.374 1.980) 6.615 17.506 ( -5.924 -2.305 -0.700) 6.395 18.226 ( 0.801 10.436 3.943) 11.185 18.315 ( 1.432 3.831 -4.768) 6.281 18.906 ( 5.518 -5.876 3.565) 8.814 18.967 ( 6.083 -9.838 -2.437) 11.821 19.738 ( -5.792 -0.860 1.128) 5.963 19.748 ( -6.346 -1.853 0.251) 6.616 20.089 ( -2.729 1.021 0.037) 2.914 20.105 ( -3.356 -0.573 -1.418) 3.688 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.162 6.200 2.809) 9.182 2.008 ( 4.391 1.365 -2.032) 5.027 2.054 ( 5.850 2.493 2.007) 6.668 2.065 ( 3.656 2.065 1.136) 4.350 2.222 ( 6.971 3.331 4.329) 8.856 2.296 ( 5.684 -2.285 2.532) 6.629 2.341 ( 3.487 4.039 -4.966) 7.289 2.415 ( 2.082 -2.783 -5.601) 6.592 2.617 ( 2.576 4.346 1.208) 5.194 2.630 ( 5.219 3.123 0.368) 6.093 2.702 ( -2.679 2.205 -0.791) 3.559 2.750 ( -1.811 -1.527 -4.389) 4.988 3.028 ( -2.901 5.372 5.870) 8.470 3.119 ( -2.634 -1.950 2.728) 4.264 3.176 ( -3.086 2.838 -3.848) 5.691 3.194 ( -2.833 0.602 -1.094) 3.096 3.438 ( 3.969 3.771 2.051) 5.846 3.524 ( 4.084 -3.046 -4.818) 7.012 3.614 ( 3.021 0.171 2.075) 3.669 3.661 ( 2.675 -3.434 -1.498) 4.603 4.023 ( 4.252 6.405 2.822) 8.190 4.112 ( 1.687 -0.624 -4.981) 5.296 4.244 ( -1.399 3.252 2.370) 4.260 4.301 ( -3.007 -0.611 -1.437) 3.388 4.512 ( 5.590 2.032 -0.079) 5.949 4.557 ( 4.795 -0.916 -3.198) 5.836 4.674 ( 1.952 -0.793 -0.817) 2.259 4.710 ( 2.044 -3.889 -3.827) 5.827 5.114 ( 6.802 0.585 6.410) 9.365 5.140 ( 7.289 -0.844 7.193) 10.275 5.236 ( 3.994 3.538 -2.592) 5.932 5.296 ( 4.169 -1.427 -4.631) 6.393 5.365 ( -0.972 3.559 2.143) 4.266 5.420 ( 2.323 1.416 -0.962) 2.886 5.532 ( -0.483 -3.258 -1.265) 3.528 5.567 ( 0.804 -4.224 -3.742) 5.700 5.802 ( 5.307 -0.275 2.473) 5.862 5.872 ( 4.312 -5.732 -3.613) 8.031 6.065 ( -0.549 -0.423 1.766) 1.897 6.106 ( -1.677 -4.256 -2.547) 5.236 6.501 ( 9.304 6.698 10.175) 15.328 6.588 ( 10.806 3.015 7.741) 13.630 6.685 ( 9.010 1.524 1.219) 9.219 6.781 ( 12.399 -2.154 -4.265) 13.288 6.917 ( 10.605 4.422 2.332) 11.724 6.972 ( 7.293 -1.517 -1.150) 7.538 7.229 ( 3.296 2.120 1.259) 4.116 7.290 ( 2.415 -3.019 -3.341) 5.110 7.722 ( 7.381 3.660 1.934) 8.462 7.772 ( 6.798 -0.220 -0.677) 6.835 8.031 ( 0.608 -2.189 -4.861) 5.366 8.068 ( 0.247 -5.198 -6.983) 8.709 8.556 ( -1.116 2.644 1.454) 3.217 8.578 ( -0.852 0.633 -0.525) 1.184 8.827 ( -6.487 2.734 1.618) 7.223 8.884 ( -7.015 -2.473 -3.949) 8.421 9.232 ( 1.837 3.486 3.565) 5.314 9.270 ( 3.540 1.860 -0.152) 4.002 9.475 ( -5.652 -4.413 3.285) 7.887 9.532 ( -4.654 -8.036 -2.298) 9.567 10.221 ( 19.099 0.833 2.955) 19.344 10.252 ( 18.602 -2.041 0.096) 18.714 11.168 ( -5.547 2.253 -1.054) 6.080 11.194 ( -5.647 -0.253 -3.405) 6.599 11.425 ( -0.432 1.718 1.246) 2.166 11.457 ( -0.817 -1.413 -1.796) 2.427 11.878 ( -18.558 -0.003 3.248) 18.840 11.900 ( -18.646 -2.152 1.078) 18.801 16.133 ( 11.396 2.312 1.422) 11.714 16.146 ( 11.597 1.010 0.298) 11.645 16.500 ( 0.344 3.011 0.566) 3.083 16.533 ( 0.206 -0.110 -2.472) 2.483 17.187 ( 3.142 2.028 0.123) 3.741 17.207 ( 3.855 0.337 -1.802) 4.269 17.373 ( -4.776 -1.463 1.720) 5.283 17.400 ( -4.911 -3.758 -0.803) 6.236 18.289 ( 6.180 11.087 4.675) 13.526 18.380 ( 5.670 4.336 -4.220) 8.293 18.945 ( -2.366 -6.082 3.356) 7.339 19.010 ( -2.495 -10.334 -3.041) 11.057 19.679 ( 0.324 -0.568 1.325) 1.478 19.684 ( 0.776 -1.098 0.880) 1.607 20.019 ( -4.690 0.275 -0.753) 4.758 20.024 ( -5.146 -0.162 -1.186) 5.283 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 3.562 3.597 1.780) 5.366 2.068 ( 1.756 1.615 0.478) 2.433 2.107 ( 0.803 2.606 -0.399) 2.756 2.115 ( 0.539 1.361 -0.671) 1.611 2.333 ( 4.380 2.904 1.855) 5.573 2.359 ( 2.108 1.017 0.487) 2.391 2.388 ( 0.685 1.690 0.144) 1.829 2.421 ( -1.600 -0.934 -1.508) 2.389 2.661 ( 2.585 5.389 0.193) 5.980 2.683 ( 0.834 3.978 -0.438) 4.088 2.711 ( 1.687 1.085 -3.318) 3.877 2.732 ( -0.683 -0.384 -3.872) 3.950 2.994 ( 0.418 6.768 7.370) 10.015 3.049 ( -4.323 3.506 5.704) 7.970 3.127 ( -1.185 1.178 -3.198) 3.608 3.142 ( -2.330 0.232 -2.692) 3.568 3.515 ( 3.713 4.252 -1.654) 5.882 3.561 ( -0.672 3.290 -5.308) 6.282 3.684 ( 3.591 -8.713 -0.362) 9.431 3.703 ( 1.513 -8.126 -1.741) 8.447 4.068 ( 0.450 7.739 0.007) 7.752 4.101 ( -2.638 6.271 -2.944) 7.413 4.200 ( 0.643 -3.168 3.174) 4.531 4.251 ( -3.121 -4.771 -1.647) 5.934 4.607 ( 3.519 4.442 -0.703) 5.710 4.631 ( 1.462 3.349 -2.420) 4.382 4.729 ( 3.131 -6.114 -0.259) 6.874 4.748 ( 1.309 -6.863 -2.021) 7.273 5.209 ( 2.830 1.913 3.969) 5.237 5.231 ( 1.355 1.449 4.458) 4.879 5.266 ( 1.074 0.120 1.258) 1.658 5.296 ( -1.398 -1.238 4.063) 4.472 5.398 ( 3.254 6.107 -4.331) 8.164 5.447 ( -0.930 5.173 -5.967) 7.952 5.544 ( 2.136 -6.249 -0.329) 6.613 5.576 ( -0.472 -5.850 -3.130) 6.651 5.888 ( 3.055 2.855 2.533) 4.889 5.923 ( 0.142 0.769 -0.294) 0.836 6.044 ( -0.506 -5.415 -1.260) 5.582 6.062 ( -1.836 -6.171 -3.152) 7.169 6.670 ( 7.586 7.858 11.186) 15.633 6.732 ( 2.461 6.361 8.358) 10.787 6.833 ( 6.703 -2.329 4.890) 8.618 6.905 ( 0.280 -4.293 0.517) 4.333 7.098 ( 7.440 5.286 0.761) 9.158 7.125 ( 6.990 3.788 -1.724) 8.135 7.235 ( -1.528 0.207 1.237) 1.977 7.280 ( -3.232 -2.611 -2.023) 4.621 7.864 ( 6.110 4.927 -2.305) 8.180 7.885 ( 4.005 3.663 -2.849) 6.130 8.043 ( 0.252 -6.495 -5.188) 8.316 8.059 ( -1.395 -7.367 -5.965) 9.581 8.578 ( 3.864 2.258 1.580) 4.746 8.605 ( 4.222 -0.103 -0.946) 4.328 8.694 ( -7.093 2.531 1.155) 7.619 8.737 ( -8.178 -1.240 -2.971) 8.789 9.256 ( 1.396 1.778 5.671) 6.105 9.291 ( -1.503 0.050 3.868) 4.150 9.410 ( -0.103 -3.458 -1.503) 3.772 9.452 ( -3.644 -5.924 -3.922) 7.985 10.580 ( 17.001 3.137 5.353) 18.098 10.600 ( 16.100 1.466 3.767) 16.599 11.006 ( -10.854 -1.029 -3.717) 11.519 11.026 ( -11.634 -2.596 -5.131) 12.977 11.446 ( 2.571 1.387 3.443) 4.515 11.469 ( 1.524 -0.763 1.779) 2.463 11.605 ( -8.644 -0.097 -0.621) 8.667 11.625 ( -9.378 -1.972 -2.082) 9.807 16.323 ( 7.820 4.859 1.089) 9.271 16.339 ( 7.466 3.875 -0.306) 8.417 16.481 ( -2.082 0.120 1.240) 2.426 16.505 ( -3.272 -1.613 -0.924) 3.763 17.219 ( 1.421 1.201 1.291) 2.265 17.248 ( -0.025 -0.611 -0.645) 0.889 17.301 ( -1.526 -1.450 -0.868) 2.277 17.328 ( -2.889 -3.241 -2.651) 5.087 18.440 ( 8.256 13.707 4.151) 16.531 18.496 ( 4.053 11.535 -1.000) 12.267 18.853 ( -4.176 -12.506 0.874) 13.214 18.898 ( -7.266 -13.579 -3.176) 15.725 19.744 ( 5.112 0.563 3.163) 6.038 19.754 ( 4.800 -0.305 2.480) 5.412 19.916 ( -5.267 -0.430 -2.209) 5.728 19.922 ( -5.239 -0.900 -2.529) 5.887 =================== 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 3/26460 10.0 1139.328 1152.440 1242.369 0.000 0.000 0.000 3/26460 20.0 165.985 164.523 169.521 0.000 0.000 0.000 3/26460 30.0 56.489 56.685 55.964 0.000 0.000 0.000 3/26460 40.0 28.744 28.554 27.916 0.000 0.000 0.000 3/26460 50.0 18.061 17.680 17.261 0.000 0.000 0.000 3/26460 60.0 12.851 12.402 12.115 0.000 0.000 0.000 3/26460 70.0 9.896 9.430 9.220 0.000 0.000 0.000 3/26460 80.0 8.034 7.573 7.408 0.000 0.000 0.000 3/26460 90.0 6.768 6.321 6.185 0.000 0.000 0.000 3/26460 100.0 5.857 5.427 5.310 0.000 0.000 0.000 3/26460 110.0 5.172 4.759 4.655 0.000 0.000 0.000 3/26460 120.0 4.637 4.242 4.147 0.000 0.000 0.000 3/26460 130.0 4.209 3.831 3.743 0.000 0.000 0.000 3/26460 140.0 3.858 3.496 3.412 0.000 0.000 0.000 3/26460 150.0 3.564 3.218 3.138 0.000 0.000 0.000 3/26460 160.0 3.314 2.983 2.905 0.000 0.000 0.000 3/26460 170.0 3.099 2.782 2.706 0.000 0.000 0.000 3/26460 180.0 2.912 2.608 2.534 0.000 0.000 0.000 3/26460 190.0 2.747 2.456 2.383 0.000 0.000 0.000 3/26460 200.0 2.601 2.321 2.249 0.000 0.000 0.000 3/26460 210.0 2.470 2.201 2.130 0.000 0.000 0.000 3/26460 220.0 2.353 2.094 2.024 0.000 0.000 0.000 3/26460 230.0 2.246 1.997 1.928 0.000 0.000 0.000 3/26460 240.0 2.149 1.909 1.841 0.000 0.000 0.000 3/26460 250.0 2.061 1.829 1.761 0.000 0.000 0.000 3/26460 260.0 1.979 1.756 1.689 0.000 0.000 0.000 3/26460 270.0 1.904 1.689 1.622 0.000 0.000 0.000 3/26460 280.0 1.835 1.627 1.561 0.000 0.000 0.000 3/26460 290.0 1.770 1.569 1.504 0.000 0.000 0.000 3/26460 300.0 1.710 1.515 1.451 0.000 0.000 0.000 3/26460 310.0 1.655 1.465 1.402 0.000 0.000 0.000 3/26460 320.0 1.602 1.419 1.356 0.000 0.000 0.000 3/26460 330.0 1.553 1.375 1.313 0.000 0.000 0.000 3/26460 340.0 1.507 1.334 1.273 0.000 0.000 0.000 3/26460 350.0 1.464 1.296 1.235 0.000 0.000 0.000 3/26460 360.0 1.423 1.259 1.200 0.000 0.000 0.000 3/26460 370.0 1.384 1.225 1.166 0.000 0.000 0.000 3/26460 380.0 1.347 1.193 1.134 0.000 0.000 0.000 3/26460 390.0 1.313 1.162 1.104 0.000 0.000 0.000 3/26460 400.0 1.280 1.133 1.076 0.000 0.000 0.000 3/26460 410.0 1.248 1.105 1.049 0.000 0.000 0.000 3/26460 420.0 1.219 1.079 1.023 0.000 0.000 0.000 3/26460 430.0 1.190 1.053 0.999 0.000 0.000 0.000 3/26460 440.0 1.163 1.029 0.976 0.000 0.000 0.000 3/26460 450.0 1.137 1.006 0.953 0.000 0.000 0.000 3/26460 460.0 1.112 0.985 0.932 0.000 0.000 0.000 3/26460 470.0 1.089 0.964 0.912 0.000 0.000 0.000 3/26460 480.0 1.066 0.944 0.893 0.000 0.000 0.000 3/26460 490.0 1.044 0.924 0.874 0.000 0.000 0.000 3/26460 500.0 1.023 0.906 0.856 0.000 0.000 0.000 3/26460 510.0 1.003 0.888 0.839 0.000 0.000 0.000 3/26460 520.0 0.984 0.871 0.823 0.000 0.000 0.000 3/26460 530.0 0.965 0.855 0.807 0.000 0.000 0.000 3/26460 540.0 0.947 0.839 0.792 0.000 0.000 0.000 3/26460 550.0 0.930 0.824 0.777 0.000 0.000 0.000 3/26460 560.0 0.914 0.809 0.763 0.000 0.000 0.000 3/26460 570.0 0.898 0.795 0.750 0.000 0.000 0.000 3/26460 580.0 0.882 0.781 0.736 0.000 0.000 0.000 3/26460 590.0 0.867 0.768 0.724 0.000 0.000 0.000 3/26460 600.0 0.853 0.755 0.712 0.000 0.000 0.000 3/26460 610.0 0.839 0.743 0.700 0.000 0.000 0.000 3/26460 620.0 0.825 0.731 0.688 0.000 0.000 0.000 3/26460 630.0 0.812 0.719 0.677 0.000 0.000 0.000 3/26460 640.0 0.799 0.708 0.667 0.000 0.000 0.000 3/26460 650.0 0.787 0.697 0.656 0.000 0.000 0.000 3/26460 660.0 0.775 0.687 0.646 0.000 0.000 0.000 3/26460 670.0 0.764 0.676 0.636 0.000 0.000 0.000 3/26460 680.0 0.752 0.666 0.627 0.000 0.000 0.000 3/26460 690.0 0.742 0.657 0.618 0.000 0.000 0.000 3/26460 700.0 0.731 0.647 0.609 0.000 0.000 0.000 3/26460 710.0 0.721 0.638 0.600 0.000 0.000 0.000 3/26460 720.0 0.711 0.629 0.592 0.000 0.000 0.000 3/26460 730.0 0.701 0.621 0.584 0.000 0.000 0.000 3/26460 740.0 0.692 0.613 0.576 0.000 0.000 0.000 3/26460 750.0 0.682 0.604 0.568 0.000 0.000 0.000 3/26460 760.0 0.673 0.596 0.560 0.000 0.000 0.000 3/26460 770.0 0.665 0.589 0.553 0.000 0.000 0.000 3/26460 780.0 0.656 0.581 0.546 0.000 0.000 0.000 3/26460 790.0 0.648 0.574 0.539 0.000 0.000 0.000 3/26460 800.0 0.640 0.567 0.532 0.000 0.000 0.000 3/26460 810.0 0.632 0.560 0.526 0.000 0.000 0.000 3/26460 820.0 0.624 0.553 0.519 0.000 0.000 0.000 3/26460 830.0 0.617 0.546 0.513 0.000 0.000 0.000 3/26460 840.0 0.609 0.540 0.507 0.000 0.000 0.000 3/26460 850.0 0.602 0.533 0.501 0.000 0.000 0.000 3/26460 860.0 0.595 0.527 0.495 0.000 0.000 0.000 3/26460 870.0 0.588 0.521 0.489 0.000 0.000 0.000 3/26460 880.0 0.582 0.515 0.484 0.000 0.000 0.000 3/26460 890.0 0.575 0.509 0.478 0.000 0.000 0.000 3/26460 900.0 0.569 0.504 0.473 0.000 0.000 0.000 3/26460 910.0 0.562 0.498 0.468 0.000 0.000 0.000 3/26460 920.0 0.556 0.493 0.462 0.000 0.000 0.000 3/26460 930.0 0.550 0.488 0.457 0.000 0.000 0.000 3/26460 940.0 0.545 0.482 0.453 0.000 0.000 0.000 3/26460 950.0 0.539 0.477 0.448 0.000 0.000 0.000 3/26460 960.0 0.533 0.472 0.443 0.000 0.000 0.000 3/26460 970.0 0.528 0.468 0.439 0.000 0.000 0.000 3/26460 980.0 0.522 0.463 0.434 0.000 0.000 0.000 3/26460 990.0 0.517 0.458 0.430 0.000 0.000 0.000 3/26460 1000.0 0.512 0.454 0.425 0.000 0.000 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:17:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|