----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:17:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.843940909999999 6.843940909999999 2.839286770000000 b 6.843940909999999 -6.843940909999999 2.839286770000000 c 6.843940909999999 6.843940909999999 -2.839286770000000 Atomic positions (fractional): *1 O 0.98886932592607 0.09936675608543 0.59361740432359 15.999 2 O 0.09936675608543 0.50574935176184 0.11049743015937 15.999 3 O 0.39525192160248 0.98886932592607 0.88950256984064 15.999 4 O 0.50574935176184 0.39525192160248 0.40638259567641 15.999 5 O 0.01113067407393 0.90063324391457 0.40638259567641 15.999 6 O 0.90063324391457 0.49425064823816 0.88950256984064 15.999 7 O 0.60474807839752 0.01113067407393 0.11049743015937 15.999 8 O 0.49425064823816 0.60474807839752 0.59361740432359 15.999 *9 O 0.79819793339747 0.92773830356724 0.22550146728243 15.999 10 O 0.92773830356724 0.70223683628481 0.12954037016978 15.999 11 O 0.57269646611503 0.79819793339747 0.87045962983022 15.999 12 O 0.70223683628481 0.57269646611503 0.77449853271757 15.999 13 O 0.20180206660253 0.07226169643276 0.77449853271757 15.999 14 O 0.07226169643276 0.29776316371519 0.87045962983022 15.999 15 O 0.42730353388497 0.20180206660254 0.12954037016978 15.999 16 O 0.29776316371519 0.42730353388497 0.22550146728243 15.999 *17 O 0.03765750069210 0.37184809538328 0.40950559607538 15.999 *18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96234249930790 0.62815190461672 0.59049440392462 15.999 20 O 0.62815190461672 0.03765750069210 0.66580940530882 15.999 21 O 0.37184809538328 0.96234249930790 0.33419059469118 15.999 *22 Zn 0.74938484974676 0.95950959571490 0.70889444546165 65.380 23 Zn 0.95950959571490 0.25061515025324 0.21012474596814 65.380 24 Zn 0.04049040428510 0.74938484974676 0.78987525403186 65.380 25 Zn 0.25061515025324 0.04049040428510 0.29110555453835 65.380 *26 Ba 0.86052340816973 0.46446226083524 0.32498566900497 137.327 27 Ba 0.46446226083524 0.13947659183027 0.60393885266551 137.327 28 Ba 0.53553773916476 0.86052340816973 0.39606114733448 137.327 29 Ba 0.13947659183027 0.53553773916476 0.67501433099503 137.327 *30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *31 Dy 0.64291285047625 0.58806365451891 0.23097650499516 162.500 32 Dy 0.58806365451891 0.35708714952375 0.94515080404266 162.500 33 Dy 0.41193634548109 0.64291285047625 0.05484919595734 162.500 34 Dy 0.35708714952375 0.41193634548109 0.76902349500484 162.500 *35 Dy 0.83234085179634 0.75288144728206 0.58522229907840 162.500 36 Dy 0.75288144728206 0.16765914820366 0.92054059548572 162.500 37 Dy 0.24711855271794 0.83234085179634 0.07945940451428 162.500 38 Dy 0.16765914820366 0.24711855271794 0.41477770092160 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.687881819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.687881819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.678573540000000 Atomic positions (fractional): *1 O 0.35205741724148 0.24155998708211 0.74730933884396 15.999 > 1 2 O 0.25844001291789 0.85205741724148 0.24730933884396 15.999 > 2 3 O 0.74155998708211 0.14794258275852 0.24730933884396 15.999 > 3 4 O 0.64794258275852 0.75844001291789 0.74730933884396 15.999 > 4 5 O 0.64794258275852 0.75844001291789 0.25269066115604 15.999 > 5 6 O 0.74155998708211 0.14794258275852 0.75269066115604 15.999 > 6 7 O 0.25844001291789 0.85205741724148 0.75269066115604 15.999 > 7 8 O 0.35205741724148 0.24155998708211 0.25269066115604 15.999 > 8 *9 O 0.17752091872611 0.04798054855633 0.75021738484114 15.999 > 9 10 O 0.45201945144367 0.67752091872610 0.25021738484114 15.999 > 10 11 O 0.54798054855633 0.32247908127390 0.25021738484114 15.999 > 11 12 O 0.82247908127390 0.95201945144367 0.75021738484114 15.999 > 12 13 O 0.82247908127390 0.95201945144367 0.24978261515886 15.999 > 13 14 O 0.54798054855633 0.32247908127390 0.74978261515886 15.999 > 14 15 O 0.45201945144367 0.67752091872610 0.74978261515886 15.999 > 15 16 O 0.17752091872611 0.04798054855633 0.24978261515886 15.999 > 16 *17 O 0.37184809538328 0.03765750069210 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.62815190461672 0.96234249930790 0.00000000000000 15.999 > 19 20 O 0.53765750069210 0.12815190461672 0.50000000000000 15.999 > 20 21 O 0.46234249930790 0.87184809538328 0.50000000000000 15.999 > 21 22 O 0.85205741724148 0.74155998708211 0.24730933884396 15.999 > 1 23 O 0.75844001291789 0.35205741724148 0.74730933884396 15.999 > 2 24 O 0.24155998708211 0.64794258275852 0.74730933884396 15.999 > 3 25 O 0.14794258275852 0.25844001291789 0.24730933884396 15.999 > 4 26 O 0.14794258275852 0.25844001291789 0.75269066115604 15.999 > 5 27 O 0.24155998708211 0.64794258275852 0.25269066115604 15.999 > 6 28 O 0.75844001291789 0.35205741724148 0.25269066115604 15.999 > 7 29 O 0.85205741724148 0.74155998708211 0.75269066115604 15.999 > 8 30 O 0.67752091872610 0.54798054855633 0.25021738484114 15.999 > 9 31 O 0.95201945144367 0.17752091872611 0.75021738484114 15.999 > 10 32 O 0.04798054855633 0.82247908127390 0.75021738484114 15.999 > 11 33 O 0.32247908127390 0.45201945144367 0.25021738484114 15.999 > 12 34 O 0.32247908127390 0.45201945144367 0.74978261515886 15.999 > 13 35 O 0.04798054855633 0.82247908127390 0.24978261515886 15.999 > 14 36 O 0.95201945144367 0.17752091872611 0.24978261515886 15.999 > 15 37 O 0.67752091872610 0.54798054855633 0.74978261515886 15.999 > 16 38 O 0.87184809538328 0.53765750069210 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.12815190461672 0.46234249930790 0.50000000000000 15.999 > 19 41 O 0.03765750069210 0.62815190461672 0.00000000000000 15.999 > 20 42 O 0.96234249930790 0.37184809538328 0.00000000000000 15.999 > 21 *43 Zn 0.45950959571490 0.24938484974676 0.50000000000000 65.380 > 22 44 Zn 0.25061515025324 0.95950959571490 0.00000000000000 65.380 > 23 45 Zn 0.74938484974676 0.04049040428510 0.00000000000000 65.380 > 24 46 Zn 0.54049040428510 0.75061515025324 0.50000000000000 65.380 > 25 47 Zn 0.95950959571490 0.74938484974676 0.00000000000000 65.380 > 22 48 Zn 0.75061515025324 0.45950959571490 0.50000000000000 65.380 > 23 49 Zn 0.24938484974676 0.54049040428510 0.50000000000000 65.380 > 24 50 Zn 0.04049040428510 0.25061515025324 0.00000000000000 65.380 > 25 *51 Ba 0.46446226083524 0.86052340816973 0.00000000000000 137.327 > 26 52 Ba 0.63947659183027 0.96446226083524 0.50000000000000 137.327 > 27 53 Ba 0.36052340816973 0.03553773916476 0.50000000000000 137.327 > 28 54 Ba 0.53553773916476 0.13947659183027 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.96446226083524 0.36052340816973 0.50000000000000 137.327 > 26 57 Ba 0.13947659183027 0.46446226083524 0.00000000000000 137.327 > 27 58 Ba 0.86052340816973 0.53553773916476 0.00000000000000 137.327 > 28 59 Ba 0.03553773916476 0.63947659183027 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Dy 0.58806365451891 0.64291285047625 0.00000000000000 162.500 > 31 62 Dy 0.85708714952375 0.08806365451891 0.50000000000000 162.500 > 32 63 Dy 0.14291285047625 0.91193634548109 0.50000000000000 162.500 > 33 64 Dy 0.41193634548109 0.35708714952375 0.00000000000000 162.500 > 34 *65 Dy 0.75288144728206 0.83234085179634 0.00000000000000 162.500 > 35 66 Dy 0.66765914820366 0.25288144728206 0.50000000000000 162.500 > 36 67 Dy 0.33234085179634 0.74711855271794 0.50000000000000 162.500 > 37 68 Dy 0.24711855271794 0.16765914820366 0.00000000000000 162.500 > 38 69 Dy 0.08806365451891 0.14291285047625 0.50000000000000 162.500 > 31 70 Dy 0.35708714952375 0.58806365451891 0.00000000000000 162.500 > 32 71 Dy 0.64291285047625 0.41193634548109 0.00000000000000 162.500 > 33 72 Dy 0.91193634548109 0.85708714952375 0.50000000000000 162.500 > 34 73 Dy 0.25288144728206 0.33234085179634 0.50000000000000 162.500 > 35 74 Dy 0.16765914820366 0.75288144728206 0.00000000000000 162.500 > 36 75 Dy 0.83234085179634 0.24711855271794 0.00000000000000 162.500 > 37 76 Dy 0.74711855271794 0.66765914820366 0.50000000000000 162.500 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.687881819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.687881819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.678573540000000 Atomic positions (fractional): *1 O 0.35205741724148 0.24155998708211 0.74730933884396 15.999 > 1 2 O 0.25844001291789 0.85205741724148 0.24730933884396 15.999 > 2 3 O 0.74155998708211 0.14794258275852 0.24730933884396 15.999 > 3 4 O 0.64794258275852 0.75844001291789 0.74730933884396 15.999 > 4 5 O 0.64794258275852 0.75844001291789 0.25269066115604 15.999 > 5 6 O 0.74155998708211 0.14794258275852 0.75269066115604 15.999 > 6 7 O 0.25844001291789 0.85205741724148 0.75269066115604 15.999 > 7 8 O 0.35205741724148 0.24155998708211 0.25269066115604 15.999 > 8 *9 O 0.17752091872611 0.04798054855633 0.75021738484114 15.999 > 9 10 O 0.45201945144367 0.67752091872610 0.25021738484114 15.999 > 10 11 O 0.54798054855633 0.32247908127390 0.25021738484114 15.999 > 11 12 O 0.82247908127390 0.95201945144367 0.75021738484114 15.999 > 12 13 O 0.82247908127390 0.95201945144367 0.24978261515886 15.999 > 13 14 O 0.54798054855633 0.32247908127390 0.74978261515886 15.999 > 14 15 O 0.45201945144367 0.67752091872610 0.74978261515886 15.999 > 15 16 O 0.17752091872611 0.04798054855633 0.24978261515886 15.999 > 16 *17 O 0.37184809538328 0.03765750069210 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.62815190461672 0.96234249930790 0.00000000000000 15.999 > 19 20 O 0.53765750069210 0.12815190461672 0.50000000000000 15.999 > 20 21 O 0.46234249930790 0.87184809538328 0.50000000000000 15.999 > 21 22 O 0.85205741724148 0.74155998708211 0.24730933884396 15.999 > 1 23 O 0.75844001291789 0.35205741724148 0.74730933884396 15.999 > 2 24 O 0.24155998708211 0.64794258275852 0.74730933884396 15.999 > 3 25 O 0.14794258275852 0.25844001291789 0.24730933884396 15.999 > 4 26 O 0.14794258275852 0.25844001291789 0.75269066115604 15.999 > 5 27 O 0.24155998708211 0.64794258275852 0.25269066115604 15.999 > 6 28 O 0.75844001291789 0.35205741724148 0.25269066115604 15.999 > 7 29 O 0.85205741724148 0.74155998708211 0.75269066115604 15.999 > 8 30 O 0.67752091872610 0.54798054855633 0.25021738484114 15.999 > 9 31 O 0.95201945144367 0.17752091872611 0.75021738484114 15.999 > 10 32 O 0.04798054855633 0.82247908127390 0.75021738484114 15.999 > 11 33 O 0.32247908127390 0.45201945144367 0.25021738484114 15.999 > 12 34 O 0.32247908127390 0.45201945144367 0.74978261515886 15.999 > 13 35 O 0.04798054855633 0.82247908127390 0.24978261515886 15.999 > 14 36 O 0.95201945144367 0.17752091872611 0.24978261515886 15.999 > 15 37 O 0.67752091872610 0.54798054855633 0.74978261515886 15.999 > 16 38 O 0.87184809538328 0.53765750069210 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.12815190461672 0.46234249930790 0.50000000000000 15.999 > 19 41 O 0.03765750069210 0.62815190461672 0.00000000000000 15.999 > 20 42 O 0.96234249930790 0.37184809538328 0.00000000000000 15.999 > 21 *43 Zn 0.45950959571490 0.24938484974676 0.50000000000000 65.380 > 22 44 Zn 0.25061515025324 0.95950959571490 0.00000000000000 65.380 > 23 45 Zn 0.74938484974676 0.04049040428510 0.00000000000000 65.380 > 24 46 Zn 0.54049040428510 0.75061515025324 0.50000000000000 65.380 > 25 47 Zn 0.95950959571490 0.74938484974676 0.00000000000000 65.380 > 22 48 Zn 0.75061515025324 0.45950959571490 0.50000000000000 65.380 > 23 49 Zn 0.24938484974676 0.54049040428510 0.50000000000000 65.380 > 24 50 Zn 0.04049040428510 0.25061515025324 0.00000000000000 65.380 > 25 *51 Ba 0.46446226083524 0.86052340816973 0.00000000000000 137.327 > 26 52 Ba 0.63947659183027 0.96446226083524 0.50000000000000 137.327 > 27 53 Ba 0.36052340816973 0.03553773916476 0.50000000000000 137.327 > 28 54 Ba 0.53553773916476 0.13947659183027 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.96446226083524 0.36052340816973 0.50000000000000 137.327 > 26 57 Ba 0.13947659183027 0.46446226083524 0.00000000000000 137.327 > 27 58 Ba 0.86052340816973 0.53553773916476 0.00000000000000 137.327 > 28 59 Ba 0.03553773916476 0.63947659183027 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Dy 0.58806365451891 0.64291285047625 0.00000000000000 162.500 > 31 62 Dy 0.85708714952375 0.08806365451891 0.50000000000000 162.500 > 32 63 Dy 0.14291285047625 0.91193634548109 0.50000000000000 162.500 > 33 64 Dy 0.41193634548109 0.35708714952375 0.00000000000000 162.500 > 34 *65 Dy 0.75288144728206 0.83234085179634 0.00000000000000 162.500 > 35 66 Dy 0.66765914820366 0.25288144728206 0.50000000000000 162.500 > 36 67 Dy 0.33234085179634 0.74711855271794 0.50000000000000 162.500 > 37 68 Dy 0.24711855271794 0.16765914820366 0.00000000000000 162.500 > 38 69 Dy 0.08806365451891 0.14291285047625 0.50000000000000 162.500 > 31 70 Dy 0.35708714952375 0.58806365451891 0.00000000000000 162.500 > 32 71 Dy 0.64291285047625 0.41193634548109 0.00000000000000 162.500 > 33 72 Dy 0.91193634548109 0.85708714952375 0.50000000000000 162.500 > 34 73 Dy 0.25288144728206 0.33234085179634 0.50000000000000 162.500 > 35 74 Dy 0.16765914820366 0.75288144728206 0.00000000000000 162.500 > 36 75 Dy 0.83234085179634 0.24711855271794 0.00000000000000 162.500 > 37 76 Dy 0.74711855271794 0.66765914820366 0.50000000000000 162.500 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6099179 -0.0000010 0.0000000 0.0000010 4.6099179 0.0000000 0.0000000 0.0000000 4.9191365 -------------------------- Born effective charges -------------------------- 1 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 2 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 3 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 4 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 5 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 6 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 7 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 8 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 9 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 10 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 11 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 12 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 13 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 14 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 15 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 16 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 17 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 18 O -2.9780538 -0.0203777 0.0000000 0.0203777 -2.9780538 0.0000000 0.0000000 0.0000000 -2.1095441 19 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 20 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 21 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 22 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 23 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 24 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 25 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 26 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 27 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 28 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 29 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 30 Ba 2.6661613 -0.0217815 0.0000000 0.0217815 2.6661613 0.0000000 0.0000000 0.0000000 3.0351747 31 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 32 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 33 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 34 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 35 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 36 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 37 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 38 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 0.307 Solver_block: 200 / 640 - Time: 0.282 Solver_block: 300 / 640 - Time: 0.278 Solver_block: 400 / 640 - Time: 0.278 Solver_block: 500 / 640 - Time: 0.278 Solver_block: 600 / 640 - Time: 0.278 Solver_block: 640 / 640 - Time: 0.129 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.863 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), 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 04:17:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:17:43]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.843940909999999 6.843940909999999 2.839286770000000 b 6.843940909999999 -6.843940909999999 2.839286770000000 c 6.843940909999999 6.843940909999999 -2.839286770000000 Atomic positions (fractional): 1 O 0.98886932592607 0.09936675608543 0.59361740432359 15.999 2 O 0.09936675608543 0.50574935176184 0.11049743015937 15.999 3 O 0.39525192160248 0.98886932592607 0.88950256984064 15.999 4 O 0.50574935176184 0.39525192160248 0.40638259567641 15.999 5 O 0.01113067407393 0.90063324391457 0.40638259567641 15.999 6 O 0.90063324391457 0.49425064823816 0.88950256984064 15.999 7 O 0.60474807839752 0.01113067407393 0.11049743015937 15.999 8 O 0.49425064823816 0.60474807839752 0.59361740432359 15.999 9 O 0.79819793339747 0.92773830356724 0.22550146728243 15.999 10 O 0.92773830356724 0.70223683628481 0.12954037016978 15.999 11 O 0.57269646611503 0.79819793339747 0.87045962983022 15.999 12 O 0.70223683628481 0.57269646611503 0.77449853271757 15.999 13 O 0.20180206660253 0.07226169643276 0.77449853271757 15.999 14 O 0.07226169643276 0.29776316371519 0.87045962983022 15.999 15 O 0.42730353388497 0.20180206660254 0.12954037016978 15.999 16 O 0.29776316371519 0.42730353388497 0.22550146728243 15.999 17 O 0.03765750069210 0.37184809538328 0.40950559607538 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96234249930790 0.62815190461672 0.59049440392462 15.999 20 O 0.62815190461672 0.03765750069210 0.66580940530882 15.999 21 O 0.37184809538328 0.96234249930790 0.33419059469118 15.999 22 Zn 0.74938484974676 0.95950959571490 0.70889444546165 65.380 23 Zn 0.95950959571490 0.25061515025324 0.21012474596814 65.380 24 Zn 0.04049040428510 0.74938484974676 0.78987525403186 65.380 25 Zn 0.25061515025324 0.04049040428510 0.29110555453835 65.380 26 Ba 0.86052340816973 0.46446226083524 0.32498566900497 137.327 27 Ba 0.46446226083524 0.13947659183027 0.60393885266551 137.327 28 Ba 0.53553773916476 0.86052340816973 0.39606114733448 137.327 29 Ba 0.13947659183027 0.53553773916476 0.67501433099503 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Dy 0.64291285047625 0.58806365451891 0.23097650499516 162.500 32 Dy 0.58806365451891 0.35708714952375 0.94515080404266 162.500 33 Dy 0.41193634548109 0.64291285047625 0.05484919595734 162.500 34 Dy 0.35708714952375 0.41193634548109 0.76902349500484 162.500 35 Dy 0.83234085179634 0.75288144728206 0.58522229907840 162.500 36 Dy 0.75288144728206 0.16765914820366 0.92054059548572 162.500 37 Dy 0.24711855271794 0.83234085179634 0.07945940451428 162.500 38 Dy 0.16765914820366 0.24711855271794 0.41477770092160 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.687881819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.687881819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.678573540000000 Atomic positions (fractional): 1 O 0.35205741724148 0.24155998708211 0.74730933884396 15.999 > 1 2 O 0.25844001291789 0.85205741724148 0.24730933884396 15.999 > 2 3 O 0.74155998708211 0.14794258275852 0.24730933884396 15.999 > 3 4 O 0.64794258275852 0.75844001291789 0.74730933884396 15.999 > 4 5 O 0.64794258275852 0.75844001291789 0.25269066115604 15.999 > 5 6 O 0.74155998708211 0.14794258275852 0.75269066115604 15.999 > 6 7 O 0.25844001291789 0.85205741724148 0.75269066115604 15.999 > 7 8 O 0.35205741724148 0.24155998708211 0.25269066115604 15.999 > 8 9 O 0.17752091872611 0.04798054855633 0.75021738484114 15.999 > 9 10 O 0.45201945144367 0.67752091872610 0.25021738484114 15.999 > 10 11 O 0.54798054855633 0.32247908127390 0.25021738484114 15.999 > 11 12 O 0.82247908127390 0.95201945144367 0.75021738484114 15.999 > 12 13 O 0.82247908127390 0.95201945144367 0.24978261515886 15.999 > 13 14 O 0.54798054855633 0.32247908127390 0.74978261515886 15.999 > 14 15 O 0.45201945144367 0.67752091872610 0.74978261515886 15.999 > 15 16 O 0.17752091872611 0.04798054855633 0.24978261515886 15.999 > 16 17 O 0.37184809538328 0.03765750069210 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.62815190461672 0.96234249930790 0.00000000000000 15.999 > 19 20 O 0.53765750069210 0.12815190461672 0.50000000000000 15.999 > 20 21 O 0.46234249930790 0.87184809538328 0.50000000000000 15.999 > 21 22 O 0.85205741724148 0.74155998708211 0.24730933884396 15.999 > 1 23 O 0.75844001291789 0.35205741724148 0.74730933884396 15.999 > 2 24 O 0.24155998708211 0.64794258275852 0.74730933884396 15.999 > 3 25 O 0.14794258275852 0.25844001291789 0.24730933884396 15.999 > 4 26 O 0.14794258275852 0.25844001291789 0.75269066115604 15.999 > 5 27 O 0.24155998708211 0.64794258275852 0.25269066115604 15.999 > 6 28 O 0.75844001291789 0.35205741724148 0.25269066115604 15.999 > 7 29 O 0.85205741724148 0.74155998708211 0.75269066115604 15.999 > 8 30 O 0.67752091872610 0.54798054855633 0.25021738484114 15.999 > 9 31 O 0.95201945144367 0.17752091872611 0.75021738484114 15.999 > 10 32 O 0.04798054855633 0.82247908127390 0.75021738484114 15.999 > 11 33 O 0.32247908127390 0.45201945144367 0.25021738484114 15.999 > 12 34 O 0.32247908127390 0.45201945144367 0.74978261515886 15.999 > 13 35 O 0.04798054855633 0.82247908127390 0.24978261515886 15.999 > 14 36 O 0.95201945144367 0.17752091872611 0.24978261515886 15.999 > 15 37 O 0.67752091872610 0.54798054855633 0.74978261515886 15.999 > 16 38 O 0.87184809538328 0.53765750069210 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.12815190461672 0.46234249930790 0.50000000000000 15.999 > 19 41 O 0.03765750069210 0.62815190461672 0.00000000000000 15.999 > 20 42 O 0.96234249930790 0.37184809538328 0.00000000000000 15.999 > 21 43 Zn 0.45950959571490 0.24938484974676 0.50000000000000 65.380 > 43 44 Zn 0.25061515025324 0.95950959571490 0.00000000000000 65.380 > 44 45 Zn 0.74938484974676 0.04049040428510 0.00000000000000 65.380 > 45 46 Zn 0.54049040428510 0.75061515025324 0.50000000000000 65.380 > 46 47 Zn 0.95950959571490 0.74938484974676 0.00000000000000 65.380 > 43 48 Zn 0.75061515025324 0.45950959571490 0.50000000000000 65.380 > 44 49 Zn 0.24938484974676 0.54049040428510 0.50000000000000 65.380 > 45 50 Zn 0.04049040428510 0.25061515025324 0.00000000000000 65.380 > 46 51 Ba 0.46446226083524 0.86052340816973 0.00000000000000 137.327 > 51 52 Ba 0.63947659183027 0.96446226083524 0.50000000000000 137.327 > 52 53 Ba 0.36052340816973 0.03553773916476 0.50000000000000 137.327 > 53 54 Ba 0.53553773916476 0.13947659183027 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.96446226083524 0.36052340816973 0.50000000000000 137.327 > 51 57 Ba 0.13947659183027 0.46446226083524 0.00000000000000 137.327 > 52 58 Ba 0.86052340816973 0.53553773916476 0.00000000000000 137.327 > 53 59 Ba 0.03553773916476 0.63947659183027 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Dy 0.58806365451891 0.64291285047625 0.00000000000000 162.500 > 61 62 Dy 0.85708714952375 0.08806365451891 0.50000000000000 162.500 > 62 63 Dy 0.14291285047625 0.91193634548109 0.50000000000000 162.500 > 63 64 Dy 0.41193634548109 0.35708714952375 0.00000000000000 162.500 > 64 65 Dy 0.75288144728206 0.83234085179634 0.00000000000000 162.500 > 65 66 Dy 0.66765914820366 0.25288144728206 0.50000000000000 162.500 > 66 67 Dy 0.33234085179634 0.74711855271794 0.50000000000000 162.500 > 67 68 Dy 0.24711855271794 0.16765914820366 0.00000000000000 162.500 > 68 69 Dy 0.08806365451891 0.14291285047625 0.50000000000000 162.500 > 61 70 Dy 0.35708714952375 0.58806365451891 0.00000000000000 162.500 > 62 71 Dy 0.64291285047625 0.41193634548109 0.00000000000000 162.500 > 63 72 Dy 0.91193634548109 0.85708714952375 0.50000000000000 162.500 > 64 73 Dy 0.25288144728206 0.33234085179634 0.50000000000000 162.500 > 65 74 Dy 0.16765914820366 0.75288144728206 0.00000000000000 162.500 > 66 75 Dy 0.83234085179634 0.24711855271794 0.00000000000000 162.500 > 67 76 Dy 0.74711855271794 0.66765914820366 0.50000000000000 162.500 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6099179 -0.0000010 0.0000000 0.0000010 4.6099179 0.0000000 0.0000000 0.0000000 4.9191365 -------------------------- Born effective charges -------------------------- 1 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 2 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 3 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 4 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 5 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 6 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 7 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 8 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 9 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 10 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 11 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 12 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 13 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 14 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 15 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 16 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 17 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 18 O -2.9780538 -0.0203777 0.0000000 0.0203777 -2.9780538 0.0000000 0.0000000 0.0000000 -2.1095441 19 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 20 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 21 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 22 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 23 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 24 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 25 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 26 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 27 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 28 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 29 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 30 Ba 2.6661613 -0.0217815 0.0000000 0.0217815 2.6661613 0.0000000 0.0000000 0.0000000 3.0351747 31 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 32 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 33 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 34 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 35 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 36 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 37 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 38 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 18, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 04:18:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:18:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.843940909999999 6.843940909999999 2.839286770000000 b 6.843940909999999 -6.843940909999999 2.839286770000000 c 6.843940909999999 6.843940909999999 -2.839286770000000 Atomic positions (fractional): 1 O 0.98886932592607 0.09936675608543 0.59361740432359 15.999 2 O 0.09936675608543 0.50574935176184 0.11049743015937 15.999 3 O 0.39525192160248 0.98886932592607 0.88950256984064 15.999 4 O 0.50574935176184 0.39525192160248 0.40638259567641 15.999 5 O 0.01113067407393 0.90063324391457 0.40638259567641 15.999 6 O 0.90063324391457 0.49425064823816 0.88950256984064 15.999 7 O 0.60474807839752 0.01113067407393 0.11049743015937 15.999 8 O 0.49425064823816 0.60474807839752 0.59361740432359 15.999 9 O 0.79819793339747 0.92773830356724 0.22550146728243 15.999 10 O 0.92773830356724 0.70223683628481 0.12954037016978 15.999 11 O 0.57269646611503 0.79819793339747 0.87045962983022 15.999 12 O 0.70223683628481 0.57269646611503 0.77449853271757 15.999 13 O 0.20180206660253 0.07226169643276 0.77449853271757 15.999 14 O 0.07226169643276 0.29776316371519 0.87045962983022 15.999 15 O 0.42730353388497 0.20180206660254 0.12954037016978 15.999 16 O 0.29776316371519 0.42730353388497 0.22550146728243 15.999 17 O 0.03765750069210 0.37184809538328 0.40950559607538 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96234249930790 0.62815190461672 0.59049440392462 15.999 20 O 0.62815190461672 0.03765750069210 0.66580940530882 15.999 21 O 0.37184809538328 0.96234249930790 0.33419059469118 15.999 22 Zn 0.74938484974676 0.95950959571490 0.70889444546165 65.380 23 Zn 0.95950959571490 0.25061515025324 0.21012474596814 65.380 24 Zn 0.04049040428510 0.74938484974676 0.78987525403186 65.380 25 Zn 0.25061515025324 0.04049040428510 0.29110555453835 65.380 26 Ba 0.86052340816973 0.46446226083524 0.32498566900497 137.327 27 Ba 0.46446226083524 0.13947659183027 0.60393885266551 137.327 28 Ba 0.53553773916476 0.86052340816973 0.39606114733448 137.327 29 Ba 0.13947659183027 0.53553773916476 0.67501433099503 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Dy 0.64291285047625 0.58806365451891 0.23097650499516 162.500 32 Dy 0.58806365451891 0.35708714952375 0.94515080404266 162.500 33 Dy 0.41193634548109 0.64291285047625 0.05484919595734 162.500 34 Dy 0.35708714952375 0.41193634548109 0.76902349500484 162.500 35 Dy 0.83234085179634 0.75288144728206 0.58522229907840 162.500 36 Dy 0.75288144728206 0.16765914820366 0.92054059548572 162.500 37 Dy 0.24711855271794 0.83234085179634 0.07945940451428 162.500 38 Dy 0.16765914820366 0.24711855271794 0.41477770092160 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.687881819999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.687881819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.678573540000000 Atomic positions (fractional): 1 O 0.35205741724148 0.24155998708211 0.74730933884396 15.999 > 1 2 O 0.25844001291789 0.85205741724148 0.24730933884396 15.999 > 2 3 O 0.74155998708211 0.14794258275852 0.24730933884396 15.999 > 3 4 O 0.64794258275852 0.75844001291789 0.74730933884396 15.999 > 4 5 O 0.64794258275852 0.75844001291789 0.25269066115604 15.999 > 5 6 O 0.74155998708211 0.14794258275852 0.75269066115604 15.999 > 6 7 O 0.25844001291789 0.85205741724148 0.75269066115604 15.999 > 7 8 O 0.35205741724148 0.24155998708211 0.25269066115604 15.999 > 8 9 O 0.17752091872611 0.04798054855633 0.75021738484114 15.999 > 9 10 O 0.45201945144367 0.67752091872610 0.25021738484114 15.999 > 10 11 O 0.54798054855633 0.32247908127390 0.25021738484114 15.999 > 11 12 O 0.82247908127390 0.95201945144367 0.75021738484114 15.999 > 12 13 O 0.82247908127390 0.95201945144367 0.24978261515886 15.999 > 13 14 O 0.54798054855633 0.32247908127390 0.74978261515886 15.999 > 14 15 O 0.45201945144367 0.67752091872610 0.74978261515886 15.999 > 15 16 O 0.17752091872611 0.04798054855633 0.24978261515886 15.999 > 16 17 O 0.37184809538328 0.03765750069210 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.62815190461672 0.96234249930790 0.00000000000000 15.999 > 19 20 O 0.53765750069210 0.12815190461672 0.50000000000000 15.999 > 20 21 O 0.46234249930790 0.87184809538328 0.50000000000000 15.999 > 21 22 O 0.85205741724148 0.74155998708211 0.24730933884396 15.999 > 1 23 O 0.75844001291789 0.35205741724148 0.74730933884396 15.999 > 2 24 O 0.24155998708211 0.64794258275852 0.74730933884396 15.999 > 3 25 O 0.14794258275852 0.25844001291789 0.24730933884396 15.999 > 4 26 O 0.14794258275852 0.25844001291789 0.75269066115604 15.999 > 5 27 O 0.24155998708211 0.64794258275852 0.25269066115604 15.999 > 6 28 O 0.75844001291789 0.35205741724148 0.25269066115604 15.999 > 7 29 O 0.85205741724148 0.74155998708211 0.75269066115604 15.999 > 8 30 O 0.67752091872610 0.54798054855633 0.25021738484114 15.999 > 9 31 O 0.95201945144367 0.17752091872611 0.75021738484114 15.999 > 10 32 O 0.04798054855633 0.82247908127390 0.75021738484114 15.999 > 11 33 O 0.32247908127390 0.45201945144367 0.25021738484114 15.999 > 12 34 O 0.32247908127390 0.45201945144367 0.74978261515886 15.999 > 13 35 O 0.04798054855633 0.82247908127390 0.24978261515886 15.999 > 14 36 O 0.95201945144367 0.17752091872611 0.24978261515886 15.999 > 15 37 O 0.67752091872610 0.54798054855633 0.74978261515886 15.999 > 16 38 O 0.87184809538328 0.53765750069210 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.12815190461672 0.46234249930790 0.50000000000000 15.999 > 19 41 O 0.03765750069210 0.62815190461672 0.00000000000000 15.999 > 20 42 O 0.96234249930790 0.37184809538328 0.00000000000000 15.999 > 21 43 Zn 0.45950959571490 0.24938484974676 0.50000000000000 65.380 > 43 44 Zn 0.25061515025324 0.95950959571490 0.00000000000000 65.380 > 44 45 Zn 0.74938484974676 0.04049040428510 0.00000000000000 65.380 > 45 46 Zn 0.54049040428510 0.75061515025324 0.50000000000000 65.380 > 46 47 Zn 0.95950959571490 0.74938484974676 0.00000000000000 65.380 > 43 48 Zn 0.75061515025324 0.45950959571490 0.50000000000000 65.380 > 44 49 Zn 0.24938484974676 0.54049040428510 0.50000000000000 65.380 > 45 50 Zn 0.04049040428510 0.25061515025324 0.00000000000000 65.380 > 46 51 Ba 0.46446226083524 0.86052340816973 0.00000000000000 137.327 > 51 52 Ba 0.63947659183027 0.96446226083524 0.50000000000000 137.327 > 52 53 Ba 0.36052340816973 0.03553773916476 0.50000000000000 137.327 > 53 54 Ba 0.53553773916476 0.13947659183027 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.96446226083524 0.36052340816973 0.50000000000000 137.327 > 51 57 Ba 0.13947659183027 0.46446226083524 0.00000000000000 137.327 > 52 58 Ba 0.86052340816973 0.53553773916476 0.00000000000000 137.327 > 53 59 Ba 0.03553773916476 0.63947659183027 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Dy 0.58806365451891 0.64291285047625 0.00000000000000 162.500 > 61 62 Dy 0.85708714952375 0.08806365451891 0.50000000000000 162.500 > 62 63 Dy 0.14291285047625 0.91193634548109 0.50000000000000 162.500 > 63 64 Dy 0.41193634548109 0.35708714952375 0.00000000000000 162.500 > 64 65 Dy 0.75288144728206 0.83234085179634 0.00000000000000 162.500 > 65 66 Dy 0.66765914820366 0.25288144728206 0.50000000000000 162.500 > 66 67 Dy 0.33234085179634 0.74711855271794 0.50000000000000 162.500 > 67 68 Dy 0.24711855271794 0.16765914820366 0.00000000000000 162.500 > 68 69 Dy 0.08806365451891 0.14291285047625 0.50000000000000 162.500 > 61 70 Dy 0.35708714952375 0.58806365451891 0.00000000000000 162.500 > 62 71 Dy 0.64291285047625 0.41193634548109 0.00000000000000 162.500 > 63 72 Dy 0.91193634548109 0.85708714952375 0.50000000000000 162.500 > 64 73 Dy 0.25288144728206 0.33234085179634 0.50000000000000 162.500 > 65 74 Dy 0.16765914820366 0.75288144728206 0.00000000000000 162.500 > 66 75 Dy 0.83234085179634 0.24711855271794 0.00000000000000 162.500 > 67 76 Dy 0.74711855271794 0.66765914820366 0.50000000000000 162.500 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6099179 -0.0000010 0.0000000 0.0000010 4.6099179 0.0000000 0.0000000 0.0000000 4.9191365 -------------------------- Born effective charges -------------------------- 1 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 2 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 3 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 4 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 5 O -2.4512056 -0.2123697 0.0934058 -0.2600213 -2.2457885 0.1040734 0.1489612 0.1629350 -2.6048721 6 O -2.2457885 0.2600213 -0.1040734 0.2123697 -2.4512056 0.0934058 -0.1629350 0.1489612 -2.6048721 7 O -2.2457885 0.2600213 0.1040734 0.2123697 -2.4512056 -0.0934058 0.1629350 -0.1489612 -2.6048721 8 O -2.4512056 -0.2123697 -0.0934058 -0.2600213 -2.2457885 -0.1040734 -0.1489612 -0.1629350 -2.6048721 9 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 10 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 11 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 12 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 13 O -2.2893860 0.0245681 -0.5090432 0.0860481 -2.5819538 -0.1117428 -0.5210085 -0.1424428 -2.7502323 14 O -2.5819538 -0.0860481 0.1117428 -0.0245681 -2.2893860 -0.5090432 0.1424428 -0.5210085 -2.7502323 15 O -2.5819538 -0.0860481 -0.1117428 -0.0245681 -2.2893860 0.5090432 -0.1424428 0.5210085 -2.7502323 16 O -2.2893860 0.0245681 0.5090432 0.0860481 -2.5819538 0.1117428 0.5210085 0.1424428 -2.7502323 17 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 18 O -2.9780538 -0.0203777 0.0000000 0.0203777 -2.9780538 0.0000000 0.0000000 0.0000000 -2.1095441 19 O -2.6968387 -0.0213189 0.0000000 -0.0161521 -2.5339859 0.0000000 0.0000000 0.0000000 -2.3640087 20 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 21 O -2.5339859 0.0161521 0.0000000 0.0213189 -2.6968387 0.0000000 0.0000000 0.0000000 -2.3640087 22 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 23 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 24 Zn 1.6614588 -0.1273810 0.0000000 -0.1439377 2.2153700 0.0000000 0.0000000 0.0000000 2.4389980 25 Zn 2.2153700 0.1439377 0.0000000 0.1273810 1.6614588 0.0000000 0.0000000 0.0000000 2.4389980 26 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 27 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 28 Ba 2.7395557 -0.0223333 0.0000000 0.0568878 2.8085116 0.0000000 0.0000000 0.0000000 2.6047854 29 Ba 2.8085116 -0.0568878 0.0000000 0.0223333 2.7395557 0.0000000 0.0000000 0.0000000 2.6047854 30 Ba 2.6661613 -0.0217815 0.0000000 0.0217815 2.6661613 0.0000000 0.0000000 0.0000000 3.0351747 31 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 32 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 33 Dy 3.9141115 0.1034715 0.0000000 0.0062445 3.5865774 0.0000000 0.0000000 0.0000000 3.8972274 34 Dy 3.5865774 -0.0062445 0.0000000 -0.1034715 3.9141115 0.0000000 0.0000000 0.0000000 3.8972274 35 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 36 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 37 Dy 3.8508104 -0.2085704 0.0000000 -0.2279109 3.7470434 0.0000000 0.0000000 0.0000000 3.9017991 38 Dy 3.7470434 0.2279109 0.0000000 0.2085704 3.8508104 0.0000000 0.0000000 0.0000000 3.9017991 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) 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 ... Generalized regular grid: [ 1 4 72 ] Grid generation matrix: [ 0 4 4 ] [ -4 0 -4 ] [ -9 -9 0 ] 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: 0.51, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 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 1.975 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.053 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 16.033 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.115 ( 0.000 0.000 0.000) 0.000 17.564 ( 0.000 0.000 0.000) 0.000 17.723 ( 0.000 0.000 0.000) 0.000 17.723 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 16.272 16.190 0.000) 22.954 0.760 ( 16.468 23.730 -0.000) 28.884 1.315 ( 37.196 32.163 0.000) 49.173 1.741 ( -11.426 -11.872 0.000) 16.477 2.006 ( -5.138 -6.747 0.000) 8.481 2.282 ( -2.769 7.061 -0.000) 7.585 2.288 ( -3.725 -2.068 -0.000) 4.260 2.363 ( 8.276 -2.768 0.000) 8.727 2.476 ( -1.804 -1.653 -0.000) 2.447 2.559 ( -4.359 -1.190 -0.000) 4.519 2.630 ( 4.234 5.251 -0.000) 6.746 2.717 ( 3.820 3.404 0.000) 5.117 2.785 ( 2.494 -9.400 0.000) 9.725 2.822 ( -6.305 -4.943 -0.000) 8.012 2.831 ( -1.131 0.556 -0.000) 1.261 2.886 ( 1.141 2.825 -0.000) 3.046 2.934 ( -7.555 -8.398 0.000) 11.297 2.997 ( -5.019 4.605 -0.000) 6.811 3.127 ( 3.015 0.748 0.000) 3.107 3.321 ( 4.313 4.823 -0.000) 6.471 3.377 ( -3.341 -8.032 0.000) 8.699 3.509 ( 4.252 3.962 0.000) 5.812 3.541 ( -0.564 0.848 -0.000) 1.018 3.562 ( -6.058 -5.012 -0.000) 7.863 3.740 ( -2.461 0.295 -0.000) 2.479 3.843 ( -5.974 -4.102 -0.000) 7.247 3.872 ( -2.284 -1.273 -0.000) 2.615 3.962 ( 2.640 0.991 0.000) 2.820 3.973 ( -3.019 -1.989 -0.000) 3.615 4.076 ( -0.082 -1.559 0.000) 1.562 4.175 ( -3.508 -1.134 -0.000) 3.687 4.233 ( -0.068 -5.930 0.000) 5.930 4.303 ( 5.456 -0.159 0.000) 5.459 4.420 ( 0.237 4.743 -0.000) 4.749 4.572 ( 4.818 1.450 0.000) 5.032 4.633 ( -1.765 2.896 -0.000) 3.392 4.724 ( 4.394 3.020 0.000) 5.331 4.907 ( 0.041 -3.345 0.000) 3.345 4.950 ( -6.837 2.347 -0.000) 7.229 5.073 ( -5.997 -2.000 -0.000) 6.322 5.089 ( 3.423 -1.426 0.000) 3.708 5.139 ( 1.906 -1.778 0.000) 2.607 5.242 ( 1.883 4.302 -0.000) 4.696 5.289 ( -1.771 -2.181 0.000) 2.809 5.384 ( -4.107 -4.386 0.000) 6.009 5.475 ( -2.020 -1.765 -0.000) 2.682 5.621 ( -6.074 -2.091 -0.000) 6.424 5.636 ( 2.600 0.900 0.000) 2.751 5.704 ( 2.734 0.899 0.000) 2.878 5.811 ( 6.392 0.097 0.000) 6.393 5.959 ( -1.280 1.508 -0.000) 1.978 6.400 ( 0.936 -0.493 0.000) 1.057 6.490 ( 3.507 3.959 -0.000) 5.289 6.632 ( -3.237 -1.392 -0.000) 3.523 6.794 ( -7.549 0.552 -0.000) 7.569 6.803 ( 1.559 -6.087 0.000) 6.284 6.831 ( -2.706 0.733 -0.000) 2.803 6.908 ( 2.333 0.260 0.000) 2.348 7.145 ( -0.871 -3.351 0.000) 3.462 7.233 ( -6.682 -0.125 -0.000) 6.683 7.276 ( 4.827 -0.718 0.000) 4.880 7.609 ( 13.094 11.890 0.000) 17.687 7.700 ( 3.777 5.793 -0.000) 6.916 7.939 ( -5.181 -6.350 0.000) 8.196 8.195 ( -3.870 -3.044 -0.000) 4.923 8.313 ( -4.895 1.148 -0.000) 5.028 8.660 ( -0.856 -5.384 0.000) 5.451 8.706 ( 0.577 -1.157 0.000) 1.293 8.729 ( 0.884 -6.013 0.000) 6.077 8.815 ( -7.266 2.338 -0.000) 7.633 8.835 ( -1.680 4.689 -0.000) 4.980 8.869 ( 3.066 -11.196 0.000) 11.608 9.101 ( 1.376 -0.351 0.000) 1.420 9.118 ( -0.709 2.165 -0.000) 2.278 9.258 ( -1.055 -2.027 0.000) 2.285 9.503 ( 8.712 2.053 0.000) 8.951 9.827 ( -2.450 8.307 -0.000) 8.661 10.050 ( -5.341 1.395 -0.000) 5.520 10.089 ( 7.790 8.807 -0.000) 11.757 10.316 ( 8.991 5.149 0.000) 10.361 10.484 ( -0.569 0.268 -0.000) 0.629 10.545 ( 1.565 2.435 -0.000) 2.895 10.619 ( 2.676 0.847 0.000) 2.807 10.912 ( -1.344 0.516 -0.000) 1.439 11.056 ( -0.388 -7.506 0.000) 7.516 11.175 ( -1.941 2.921 -0.000) 3.507 11.510 ( -10.690 -12.128 0.000) 16.167 11.555 ( -1.861 -1.826 -0.000) 2.608 11.799 ( 4.609 3.554 0.000) 5.820 12.141 ( -0.341 1.026 -0.000) 1.081 12.645 ( 5.635 -0.768 0.000) 5.687 12.826 ( -1.873 6.723 -0.000) 6.979 13.012 ( 1.789 1.737 0.000) 2.494 13.122 ( -0.528 -0.512 -0.000) 0.736 13.355 ( -4.256 -7.888 0.000) 8.963 13.623 ( 4.869 -2.441 0.000) 5.446 13.648 ( -8.505 2.206 -0.000) 8.786 13.846 ( 1.651 1.610 0.000) 2.306 14.149 ( 1.817 -3.050 0.000) 3.550 14.168 ( -0.652 -0.509 -0.000) 0.827 14.176 ( -0.164 -0.301 0.000) 0.343 14.366 ( 1.600 0.698 0.000) 1.745 14.676 ( 0.704 0.807 -0.000) 1.071 14.993 ( -10.492 0.739 -0.000) 10.518 15.376 ( 13.795 4.959 0.000) 14.659 15.912 ( -2.153 -2.512 0.000) 3.308 16.102 ( 2.637 3.059 -0.000) 4.038 16.739 ( 0.435 -0.144 0.000) 0.458 16.874 ( -5.730 -4.904 -0.000) 7.542 17.053 ( -0.604 -0.505 -0.000) 0.787 17.332 ( 4.496 1.287 0.000) 4.676 17.484 ( -4.260 -1.327 -0.000) 4.462 17.779 ( 4.170 -0.987 0.000) 4.285 17.782 ( -1.528 3.763 -0.000) 4.061 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 0.000 0.000) 0.000 1.314 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 -0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.361 ( 0.000 0.000 -0.000) 0.000 2.447 ( 0.000 0.000 -0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 -0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.667 ( -0.000 0.000 -0.000) 0.000 2.686 ( 0.000 -0.000 0.000) 0.000 2.786 ( -0.000 0.000 -0.000) 0.000 2.881 ( 0.000 0.000 -0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.949 ( -0.000 -0.000 -0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 -0.000) 0.000 3.413 ( 0.000 -0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.590 ( -0.000 0.000 -0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 -0.000) 0.000 4.001 ( 0.000 0.000 -0.000) 0.000 4.085 ( 0.000 0.000 -0.000) 0.000 4.130 ( 0.000 0.000 -0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.387 ( -0.000 0.000 -0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 -0.000 0.000) 0.000 4.643 ( 0.000 0.000 -0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.869 ( -0.000 -0.000 -0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 -0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.226 ( -0.000 -0.000 -0.000) 0.000 5.243 ( -0.000 0.000 -0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 -0.000) 0.000 5.736 ( 0.000 0.000 -0.000) 0.000 5.895 ( 0.000 0.000 -0.000) 0.000 5.935 ( -0.000 0.000 -0.000) 0.000 6.415 ( 0.000 0.000 -0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.617 ( -0.000 0.000 -0.000) 0.000 6.663 ( 0.000 0.000 -0.000) 0.000 6.739 ( -0.000 0.000 -0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 -0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 -0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.067 ( -0.000 -0.000 -0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 -0.000) 0.000 8.658 ( 0.000 -0.000 0.000) 0.000 8.722 ( -0.000 0.000 -0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.154 ( -0.000 0.000 -0.000) 0.000 9.200 ( 0.000 -0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 -0.000) 0.000 9.956 ( 0.000 0.000 -0.000) 0.000 10.379 ( 0.000 0.000 -0.000) 0.000 10.457 ( 0.000 -0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 -0.000) 0.000 10.669 ( 0.000 0.000 -0.000) 0.000 10.941 ( -0.000 -0.000 0.000) 0.000 10.979 ( 0.000 0.000 -0.000) 0.000 11.152 ( 0.000 0.000 -0.000) 0.000 11.198 ( 0.000 0.000 -0.000) 0.000 11.510 ( 0.000 0.000 -0.000) 0.000 11.898 ( 0.000 0.000 -0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 -0.000) 0.000 13.010 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.086 ( -0.000 -0.000 -0.000) 0.000 13.154 ( -0.000 -0.000 0.000) 0.000 13.588 ( 0.000 0.000 -0.000) 0.000 13.649 ( 0.000 0.000 -0.000) 0.000 13.963 ( -0.000 -0.000 -0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 14.155 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 -0.000) 0.000 14.530 ( 0.000 0.000 0.000) 0.000 14.694 ( 0.000 0.000 -0.000) 0.000 14.825 ( 0.000 0.000 -0.000) 0.000 15.666 ( 0.000 0.000 -0.000) 0.000 15.781 ( 0.000 0.000 -0.000) 0.000 16.163 ( 0.000 0.000 -0.000) 0.000 16.751 ( 0.000 0.000 0.000) 0.000 16.752 ( -0.000 -0.000 -0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 17.374 ( -0.000 0.000 -0.000) 0.000 17.436 ( 0.000 0.000 -0.000) 0.000 17.801 ( 0.000 0.000 -0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/50) ======================= q-point: ( 0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 2.206 11.683 18.711) 22.169 1.278 ( -1.866 34.439 13.937) 37.199 2.052 ( -0.072 1.990 39.795) 39.844 2.113 ( -0.340 -0.342 2.985) 3.024 2.279 ( 0.454 -0.891 6.916) 6.988 2.416 ( 0.089 -3.872 2.615) 4.673 2.443 ( -0.097 -1.117 -0.337) 1.171 2.610 ( -1.041 -6.091 11.356) 12.928 2.626 ( 3.253 -3.616 10.488) 11.560 2.685 ( -1.166 1.188 7.984) 8.156 2.768 ( -0.620 -1.904 6.091) 6.412 2.788 ( -3.086 -1.627 7.823) 8.566 2.838 ( 1.066 2.573 9.853) 10.239 2.886 ( -2.342 -6.542 2.266) 7.309 2.912 ( 2.216 3.273 3.626) 5.364 3.019 ( 2.523 3.988 2.508) 5.345 3.105 ( 0.322 -0.632 10.746) 10.769 3.121 ( -0.808 3.707 0.607) 3.843 3.294 ( 0.362 -5.194 8.041) 9.580 3.319 ( -1.662 -4.358 4.792) 6.688 3.385 ( 2.267 -3.283 -0.041) 3.990 3.417 ( 0.792 -0.595 -4.635) 4.740 3.453 ( -1.785 -0.876 -4.746) 5.145 3.535 ( -0.609 3.867 -3.843) 5.486 3.604 ( -0.640 4.377 2.152) 4.919 3.813 ( 1.636 -3.035 -2.688) 4.372 3.872 ( -0.309 0.712 -2.513) 2.630 3.955 ( 3.749 -3.813 -3.621) 6.458 4.021 ( -2.360 -3.947 -3.101) 5.546 4.039 ( 0.744 -0.747 0.807) 1.328 4.132 ( -6.982 -0.165 -2.656) 7.472 4.170 ( 4.120 3.180 -2.536) 5.789 4.294 ( 1.147 -0.623 -2.238) 2.591 4.329 ( -2.563 -3.375 -1.593) 4.527 4.393 ( 0.992 -0.566 -0.023) 1.142 4.594 ( 0.803 4.464 -1.961) 4.941 4.780 ( -0.070 1.057 3.251) 3.419 4.803 ( -0.234 -3.399 -1.324) 3.656 4.852 ( 3.091 -1.652 -2.004) 4.037 4.926 ( -3.817 1.816 -3.055) 5.215 5.038 ( 0.447 5.181 -1.475) 5.405 5.216 ( 0.775 -5.642 -5.102) 7.646 5.289 ( 0.886 -0.654 -3.137) 3.324 5.314 ( -1.016 -1.103 -2.742) 3.126 5.485 ( -2.351 -2.718 4.394) 5.676 5.523 ( 2.922 1.024 0.448) 3.129 5.574 ( -1.543 -2.938 -0.912) 3.441 5.609 ( 2.535 -1.820 -3.611) 4.773 5.682 ( -1.584 2.527 -3.116) 4.314 5.843 ( 0.347 0.511 -8.193) 8.217 5.898 ( -0.476 5.599 9.157) 10.744 6.450 ( -0.042 3.552 0.360) 3.570 6.707 ( 0.392 -2.155 -1.415) 2.607 6.733 ( 0.350 0.585 -2.956) 3.033 6.782 ( 0.109 -7.178 0.683) 7.211 6.845 ( -0.132 -0.725 5.530) 5.578 6.910 ( -1.516 -0.177 -0.469) 1.597 7.060 ( 0.771 -4.718 1.706) 5.075 7.114 ( 0.700 1.568 -2.027) 2.657 7.226 ( -1.961 1.361 2.189) 3.239 7.293 ( 1.487 3.676 -3.772) 5.473 7.406 ( 0.169 0.019 3.617) 3.621 7.669 ( -0.345 4.426 3.722) 5.794 8.007 ( 0.984 -5.804 -1.652) 6.114 8.212 ( -0.813 -1.189 -0.944) 1.723 8.330 ( -0.228 0.808 -3.707) 3.801 8.402 ( 1.043 7.025 0.056) 7.103 8.622 ( -0.757 -6.098 1.147) 6.251 8.697 ( -2.010 -6.308 -2.823) 7.197 8.848 ( -3.799 -0.281 1.394) 4.057 8.918 ( 4.289 6.477 4.168) 8.816 9.144 ( 3.195 -5.179 5.121) 7.954 9.218 ( -2.399 -0.990 2.613) 3.683 9.319 ( 0.774 3.065 6.415) 7.151 9.340 ( 0.043 -4.181 4.067) 5.834 9.605 ( -0.014 -0.529 4.985) 5.013 9.779 ( -0.341 9.680 0.288) 9.690 10.022 ( 2.723 -1.984 -2.353) 4.109 10.092 ( -3.414 2.004 -3.780) 5.474 10.225 ( 3.061 2.122 -4.959) 6.202 10.324 ( -0.396 7.030 -2.200) 7.377 10.374 ( -1.361 9.599 -10.265) 14.120 10.874 ( -0.066 -4.142 13.575) 14.193 11.017 ( -0.337 -0.910 3.099) 3.247 11.174 ( -0.157 1.342 6.899) 7.030 11.211 ( 0.038 3.551 4.414) 5.665 11.486 ( -0.147 -5.590 -1.329) 5.748 11.664 ( -0.127 -9.392 1.931) 9.590 11.817 ( -0.494 3.844 1.116) 4.033 12.041 ( 0.657 7.325 -6.364) 9.726 12.492 ( 0.388 8.311 -3.639) 9.081 12.863 ( -0.896 -2.566 -0.507) 2.765 13.238 ( 6.044 -3.263 11.039) 13.001 13.280 ( -4.251 0.476 8.550) 9.560 13.586 ( -1.266 -6.838 -5.037) 8.587 13.727 ( 0.290 -1.372 5.879) 6.044 13.791 ( 4.373 -0.397 1.620) 4.680 13.844 ( -6.222 0.881 2.855) 6.902 14.126 ( -1.107 0.920 -0.668) 1.587 14.138 ( 0.442 -1.017 -1.260) 1.679 14.215 ( 2.621 5.309 4.314) 7.326 14.466 ( 0.020 -8.469 -0.740) 8.502 14.534 ( -0.475 3.701 -8.139) 8.954 15.061 ( 2.533 -1.380 -1.330) 3.177 15.210 ( -1.690 11.569 -3.802) 12.294 15.289 ( -0.725 2.143 -25.414) 25.514 15.652 ( -0.052 3.407 -11.770) 12.254 16.341 ( 0.015 -4.157 -17.749) 18.229 16.581 ( -1.634 -6.342 -14.140) 15.583 16.634 ( 1.857 -1.094 -16.260) 16.403 17.357 ( 0.411 -4.284 -4.411) 6.163 17.573 ( -1.705 -8.060 6.262) 10.348 17.687 ( 1.085 -2.065 -0.533) 2.393 17.954 ( 0.087 5.415 11.224) 12.463 ======================= Grid point 6 (5/50) ======================= q-point: ( 0.24 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 10.886 16.658 11.766) 23.117 1.880 ( -2.302 -4.376 6.311) 8.017 2.104 ( 4.268 16.967 8.608) 19.498 2.126 ( 2.133 5.979 26.850) 27.591 2.275 ( -0.456 1.054 18.656) 18.691 2.324 ( 0.155 -1.600 6.490) 6.686 2.442 ( 1.006 1.876 -0.550) 2.198 2.496 ( 0.105 -2.421 3.210) 4.022 2.585 ( 1.349 -7.122 3.824) 8.195 2.643 ( 4.006 -3.047 10.796) 11.911 2.695 ( 0.372 -4.330 6.134) 7.517 2.769 ( 3.461 -0.531 13.716) 14.156 2.845 ( 1.039 0.465 1.707) 2.051 2.904 ( 0.046 1.383 6.928) 7.065 2.970 ( 0.054 1.490 2.401) 2.826 3.034 ( -2.385 -3.928 2.223) 5.105 3.091 ( -6.119 -5.635 12.364) 14.902 3.112 ( -3.173 3.614 8.347) 9.633 3.153 ( -7.277 -1.785 -0.037) 7.493 3.221 ( 1.372 0.349 4.179) 4.413 3.321 ( -11.464 -4.117 -4.107) 12.854 3.386 ( 3.709 -5.124 2.062) 6.653 3.429 ( -1.373 2.602 -3.003) 4.204 3.557 ( -0.136 0.979 -7.247) 7.314 3.641 ( -3.153 4.920 -2.886) 6.517 3.759 ( -4.730 0.611 0.138) 4.772 3.872 ( 2.899 2.864 -1.085) 4.217 3.903 ( -0.963 -0.882 -0.686) 1.475 3.959 ( 2.261 -2.687 -3.165) 4.727 4.022 ( -3.183 -1.828 0.504) 3.705 4.082 ( 3.862 1.567 -0.499) 4.197 4.190 ( -2.413 -1.003 1.392) 2.961 4.270 ( 2.794 -0.125 -2.930) 4.051 4.384 ( 3.773 -0.021 -3.902) 5.428 4.526 ( 8.347 1.254 -1.470) 8.568 4.631 ( 0.813 -2.108 0.420) 2.298 4.737 ( -1.713 -1.893 -0.844) 2.689 4.807 ( -0.748 -0.888 -0.376) 1.220 4.852 ( 0.526 0.300 -1.940) 2.032 4.951 ( 3.245 -1.594 -3.501) 5.033 5.027 ( 0.492 -2.771 -1.253) 3.081 5.145 ( 0.280 -1.162 -3.014) 3.243 5.214 ( -4.289 -1.495 -0.524) 4.572 5.330 ( -0.478 -0.305 -3.893) 3.935 5.362 ( -2.552 -0.464 3.433) 4.303 5.506 ( 0.313 -2.260 0.619) 2.364 5.628 ( 3.888 -2.388 4.179) 6.187 5.649 ( 5.817 -1.245 -9.506) 11.214 5.669 ( -0.386 -0.214 -0.438) 0.622 5.848 ( -1.083 0.180 -8.636) 8.706 5.988 ( -3.986 7.460 8.272) 11.831 6.535 ( 0.130 3.846 -0.334) 3.863 6.623 ( -3.213 -0.850 1.154) 3.518 6.697 ( -1.751 -0.997 -0.652) 2.118 6.744 ( 0.870 -0.323 0.134) 0.937 6.827 ( -2.182 -0.898 3.233) 4.002 6.913 ( 4.717 0.518 -1.038) 4.858 6.967 ( -3.393 -0.574 5.444) 6.441 7.094 ( -1.641 -2.666 -0.287) 3.143 7.249 ( 2.278 1.144 0.468) 2.591 7.352 ( -2.285 0.569 7.047) 7.430 7.409 ( 1.240 -0.255 -7.575) 7.680 7.824 ( 6.481 0.711 0.102) 6.521 8.051 ( 7.165 2.871 5.679) 9.582 8.140 ( -3.018 0.749 0.228) 3.118 8.258 ( -0.659 -9.685 -4.722) 10.795 8.457 ( -7.041 1.598 -0.421) 7.232 8.510 ( -4.861 1.480 -3.845) 6.372 8.581 ( 2.241 0.193 2.527) 3.383 8.751 ( 2.683 -4.525 0.746) 5.313 9.017 ( -6.387 -0.918 2.222) 6.825 9.104 ( 3.985 0.044 8.167) 9.087 9.223 ( 3.439 -0.291 4.569) 5.726 9.336 ( 0.757 1.880 5.302) 5.676 9.358 ( -0.658 -0.353 5.232) 5.285 9.665 ( 3.367 -0.430 0.128) 3.397 9.814 ( 0.603 -2.182 -0.418) 2.302 10.010 ( -4.359 0.691 -3.442) 5.597 10.147 ( 1.207 3.383 -6.470) 7.401 10.355 ( 5.818 0.323 -6.396) 8.652 10.440 ( 2.348 -1.567 -5.202) 5.918 10.568 ( 1.847 11.876 0.206) 12.020 10.769 ( -4.702 -1.879 3.575) 6.199 10.970 ( -0.004 -0.998 2.312) 2.518 11.238 ( 0.487 4.103 6.921) 8.060 11.323 ( -0.036 7.369 13.494) 15.375 11.403 ( -1.421 -3.325 3.806) 5.250 11.424 ( -3.258 -7.466 4.851) 9.481 11.917 ( -0.756 5.878 -0.444) 5.943 12.118 ( -3.428 2.633 -7.890) 8.997 12.684 ( 6.117 -0.897 -2.164) 6.551 12.781 ( 0.301 0.160 -0.907) 0.969 13.147 ( -5.893 -3.460 2.386) 7.238 13.350 ( 8.217 -2.862 7.128) 11.248 13.463 ( 0.688 -2.891 0.492) 3.013 13.656 ( -3.888 -0.635 1.707) 4.294 13.735 ( -2.532 0.412 8.339) 8.724 13.929 ( 2.975 5.942 -1.735) 6.868 14.111 ( -1.326 -1.566 -0.045) 2.053 14.133 ( 0.417 0.187 -0.102) 0.468 14.241 ( -3.370 -3.786 5.539) 7.507 14.434 ( 3.173 2.947 -0.842) 4.412 14.560 ( 2.210 -2.564 -4.002) 5.242 15.004 ( -3.882 -2.619 0.534) 4.713 15.324 ( -4.057 5.752 -28.282) 29.145 15.501 ( 6.051 10.645 -5.583) 13.457 15.804 ( 4.421 7.288 -9.718) 12.927 16.207 ( -1.883 -6.529 -19.848) 20.979 16.322 ( -7.211 -8.881 -13.287) 17.533 16.650 ( 3.836 -3.846 -14.466) 15.452 17.284 ( 0.820 -3.434 0.299) 3.543 17.396 ( -5.808 1.512 -1.215) 6.124 17.716 ( 4.847 -3.634 -0.905) 6.125 18.027 ( -1.865 3.798 8.567) 9.555 ======================= Grid point 7 (6/50) ======================= q-point: ( 0.24 -0.01 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -14.715 -12.020 12.286) 22.626 1.984 ( 8.142 9.834 7.156) 14.636 2.096 ( -26.668 -10.807 4.793) 29.171 2.135 ( -5.005 -1.647 30.328) 30.783 2.236 ( 1.856 -2.897 9.254) 9.873 2.295 ( 2.759 1.792 11.521) 11.981 2.414 ( 0.600 -0.730 3.112) 3.253 2.529 ( 0.638 0.265 7.383) 7.416 2.555 ( 2.797 -2.268 7.690) 8.492 2.689 ( 9.823 -4.191 8.045) 13.371 2.737 ( -1.883 0.966 1.784) 2.767 2.817 ( 1.013 -2.810 13.494) 13.821 2.877 ( -0.522 -2.695 3.423) 4.387 2.901 ( -0.958 -2.742 2.274) 3.689 2.926 ( -5.228 2.260 3.228) 6.547 3.002 ( 8.624 3.053 8.910) 12.770 3.040 ( -2.298 6.632 3.925) 8.042 3.080 ( 6.925 4.462 4.089) 9.197 3.192 ( 2.955 3.624 8.109) 9.360 3.211 ( -3.687 3.272 -1.314) 5.102 3.305 ( 3.650 10.868 0.003) 11.465 3.370 ( 3.958 -4.452 3.421) 6.870 3.463 ( -0.002 1.091 -5.219) 5.332 3.524 ( -1.508 -1.835 -3.875) 4.545 3.665 ( -6.157 3.156 -1.651) 7.113 3.738 ( -0.391 2.207 -2.463) 3.330 3.871 ( 0.595 -2.015 -0.349) 2.130 3.914 ( -2.785 0.108 -1.852) 3.346 3.980 ( 2.277 -0.537 -4.185) 4.794 4.005 ( 1.663 2.499 0.948) 3.148 4.135 ( -0.844 1.012 -0.283) 1.348 4.163 ( 0.690 0.279 1.503) 1.678 4.296 ( 0.321 0.124 -4.391) 4.405 4.371 ( 0.226 -5.299 -2.679) 5.942 4.547 ( -0.839 -9.508 -2.441) 9.852 4.609 ( 1.658 -2.378 1.304) 3.179 4.722 ( 0.667 3.034 -0.868) 3.226 4.804 ( 3.266 0.550 -1.905) 3.821 4.854 ( -2.727 -0.818 -0.883) 2.980 4.935 ( 4.148 -2.152 -1.359) 4.867 5.076 ( 4.270 -0.826 -2.205) 4.876 5.115 ( -1.713 -0.666 -0.583) 1.928 5.207 ( 1.773 4.596 -3.641) 6.126 5.335 ( 0.220 -1.058 -3.241) 3.416 5.364 ( 0.398 4.502 2.924) 5.383 5.492 ( 3.475 -1.987 1.250) 4.194 5.603 ( 1.677 -4.184 0.032) 4.508 5.641 ( -1.104 -2.831 -0.186) 3.044 5.722 ( 2.462 -1.390 -6.301) 6.906 5.833 ( -0.946 1.309 -8.704) 8.853 5.996 ( -6.860 4.010 8.544) 11.668 6.548 ( -4.778 -0.416 -0.364) 4.809 6.611 ( 1.962 3.246 0.847) 3.886 6.678 ( 0.434 0.528 -0.502) 0.848 6.757 ( 0.334 0.758 0.458) 0.947 6.813 ( 0.961 0.431 4.689) 4.805 6.947 ( 0.618 -1.911 -2.351) 3.092 6.971 ( -0.914 2.638 4.278) 5.109 7.074 ( 3.109 0.963 0.759) 3.342 7.287 ( -1.932 -0.820 4.336) 4.818 7.311 ( 0.653 0.244 0.405) 0.806 7.408 ( -0.034 -0.922 -4.272) 4.370 7.844 ( -0.650 -5.090 -2.083) 5.538 7.971 ( -0.653 -8.748 2.734) 9.188 8.175 ( -1.910 5.828 0.390) 6.145 8.316 ( 5.709 -0.613 7.147) 9.168 8.340 ( 3.544 0.585 -5.740) 6.772 8.579 ( -4.700 8.338 -3.452) 10.175 8.672 ( 2.474 4.529 -1.768) 5.455 8.834 ( 3.039 -3.234 2.066) 4.895 8.871 ( 0.532 1.065 4.705) 4.853 9.089 ( 0.690 -3.981 4.939) 6.381 9.283 ( 0.504 1.672 7.229) 7.436 9.292 ( -1.767 -4.196 1.775) 4.887 9.360 ( -1.014 0.753 5.833) 5.968 9.648 ( 1.038 -4.448 1.499) 4.807 9.821 ( 3.017 -1.202 -2.166) 3.904 9.975 ( -2.236 3.383 1.324) 4.266 10.165 ( -2.422 0.577 -10.896) 11.177 10.352 ( -2.464 -7.933 -5.054) 9.724 10.418 ( 1.240 -1.614 -0.009) 2.035 10.573 ( -9.534 -0.556 -8.333) 12.675 10.780 ( 2.374 3.584 4.304) 6.083 11.005 ( 0.073 1.470 4.402) 4.642 11.247 ( -3.273 -0.729 9.569) 10.139 11.300 ( -6.777 1.535 13.712) 15.372 11.396 ( 3.532 0.292 1.574) 3.878 11.449 ( 6.165 3.600 6.255) 9.491 11.928 ( -5.780 1.045 0.321) 5.882 12.099 ( -2.834 2.896 -9.479) 10.309 12.653 ( -0.335 -5.754 -3.451) 6.718 12.846 ( 1.286 -0.133 -2.840) 3.120 13.046 ( 2.973 0.811 7.009) 7.657 13.364 ( 1.547 -4.522 4.426) 6.514 13.503 ( 4.643 -0.305 0.090) 4.654 13.669 ( 1.641 2.543 2.322) 3.815 13.730 ( -2.009 3.487 8.558) 9.457 13.958 ( -5.103 -0.445 0.469) 5.144 14.118 ( 0.585 1.231 -1.729) 2.201 14.162 ( -0.061 0.673 1.230) 1.403 14.222 ( 4.179 2.522 5.086) 7.049 14.372 ( -2.044 -5.424 -3.193) 6.618 14.580 ( 1.604 -2.005 -3.640) 4.454 14.969 ( 1.981 2.231 2.256) 3.741 15.324 ( -5.672 3.548 -27.307) 28.115 15.536 ( -10.000 -3.832 -8.417) 13.621 15.815 ( -7.957 -4.204 -8.957) 12.697 16.210 ( 6.392 1.696 -20.135) 21.193 16.316 ( 10.001 7.882 -12.302) 17.705 16.634 ( 3.479 -4.884 -14.367) 15.568 17.277 ( 2.650 -0.729 -2.416) 3.660 17.421 ( -0.656 6.866 1.280) 7.015 17.708 ( 3.651 -5.643 -1.146) 6.818 18.024 ( -3.851 1.766 8.589) 9.577 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 1.732 6.315 10.738) 12.577 2.163 ( 0.503 -2.218 -5.155) 5.634 2.168 ( -3.746 6.821 3.681) 8.609 2.247 ( 0.581 2.824 -2.294) 3.684 2.372 ( 0.905 -4.024 2.228) 4.688 2.483 ( 0.416 3.315 2.810) 4.365 2.528 ( -1.714 1.041 -2.045) 2.864 2.709 ( -0.870 -8.072 5.689) 9.913 2.765 ( 0.430 -7.274 -4.572) 8.602 2.842 ( 1.561 2.817 -2.480) 4.065 2.901 ( 0.534 0.347 0.702) 0.948 2.956 ( 0.643 -0.729 7.609) 7.671 2.993 ( -0.533 0.423 2.326) 2.424 3.017 ( -0.254 -0.634 3.878) 3.937 3.111 ( 0.428 0.081 -3.271) 3.300 3.129 ( -1.278 0.245 -1.386) 1.901 3.172 ( 4.901 0.865 -0.595) 5.012 3.203 ( -3.984 0.593 -2.473) 4.727 3.320 ( 1.159 3.969 0.122) 4.137 3.485 ( -2.533 1.869 0.133) 3.151 3.609 ( 2.639 -1.812 2.841) 4.280 3.637 ( -4.422 -0.286 1.290) 4.616 3.705 ( 3.076 -1.317 1.538) 3.682 3.715 ( 0.524 -1.760 5.042) 5.366 3.763 ( -0.079 -1.054 3.924) 4.064 3.806 ( 0.477 -0.182 -0.309) 0.597 3.889 ( 2.330 -0.910 6.565) 7.026 3.948 ( -4.715 -0.187 9.206) 10.345 3.996 ( -1.937 1.325 1.852) 2.990 4.011 ( 3.709 -0.131 3.922) 5.399 4.161 ( -0.624 -1.821 0.645) 2.030 4.179 ( 0.414 3.810 -1.038) 3.970 4.259 ( -0.790 0.439 1.437) 1.698 4.375 ( -0.635 -2.100 15.388) 15.544 4.490 ( 1.852 -0.550 3.059) 3.618 4.570 ( -0.428 0.538 -0.077) 0.692 4.759 ( 0.200 -0.462 -0.900) 1.031 4.770 ( 0.236 -1.090 3.524) 3.696 4.892 ( 0.065 -1.470 0.926) 1.739 4.951 ( -0.411 -1.818 -2.898) 3.446 4.983 ( -0.250 1.352 -5.696) 5.860 4.994 ( -2.521 2.075 -2.302) 3.995 5.016 ( 0.249 1.443 -13.340) 13.421 5.066 ( 1.195 0.011 -7.240) 7.338 5.094 ( 1.816 -3.705 -1.652) 4.445 5.156 ( -1.048 0.696 -4.027) 4.219 5.280 ( 0.255 -1.232 -11.939) 12.005 5.633 ( -0.718 0.665 0.922) 1.344 5.651 ( 0.394 -0.072 -0.064) 0.405 5.767 ( 0.608 -1.177 2.451) 2.786 6.314 ( -0.674 3.436 3.037) 4.635 6.556 ( 0.684 2.229 0.201) 2.341 6.619 ( 0.702 0.467 -0.313) 0.899 6.652 ( -1.432 -0.985 -1.170) 2.095 6.699 ( 0.440 -0.494 1.523) 1.660 6.863 ( -1.666 0.111 -0.019) 1.670 6.920 ( 0.521 -2.024 -3.825) 4.359 6.998 ( 2.668 -3.488 0.837) 4.470 7.047 ( -1.780 3.295 -1.585) 4.067 7.257 ( 2.379 0.423 0.217) 2.426 7.318 ( -2.541 -0.139 0.730) 2.648 7.635 ( -0.097 -2.407 1.868) 3.049 7.769 ( 0.158 3.852 5.412) 6.645 7.908 ( 1.856 -0.142 -6.814) 7.063 8.240 ( 1.239 -0.350 2.297) 2.634 8.295 ( 0.697 0.296 3.181) 3.270 8.421 ( -3.480 -0.367 -3.766) 5.140 8.601 ( -6.079 1.476 1.246) 6.378 8.729 ( 5.663 -5.240 0.858) 7.763 8.760 ( -0.476 2.274 -2.516) 3.425 9.097 ( 0.706 0.603 12.767) 12.801 9.227 ( -1.961 -3.588 2.726) 4.915 9.361 ( -2.597 2.952 -4.069) 5.658 9.401 ( 6.105 -0.367 -3.346) 6.972 9.497 ( 2.385 -2.426 0.451) 3.432 9.570 ( 0.077 1.883 -3.287) 3.789 9.653 ( -4.012 -2.815 -6.252) 7.944 10.007 ( -2.805 -2.427 7.225) 8.121 10.111 ( 0.059 -0.649 7.347) 7.376 10.208 ( 2.713 6.300 -8.241) 10.723 10.423 ( 1.870 -0.971 7.177) 7.480 10.560 ( 3.711 10.566 2.688) 11.517 10.855 ( -2.967 -11.432 -2.926) 12.168 11.055 ( -4.975 -2.222 -2.323) 5.923 11.181 ( 1.351 7.349 -8.501) 11.318 11.353 ( -0.038 -0.753 1.152) 1.377 11.559 ( -0.259 2.026 4.739) 5.160 11.768 ( -0.036 6.373 -3.322) 7.187 12.093 ( 1.394 -1.415 3.708) 4.206 12.217 ( 0.028 2.006 19.482) 19.585 12.479 ( 1.046 3.934 -3.795) 5.565 12.579 ( -1.067 -3.682 -12.144) 12.734 13.018 ( 2.158 -4.576 -8.483) 9.877 13.249 ( -1.756 -0.607 -1.631) 2.472 13.365 ( -0.388 -1.633 0.540) 1.764 13.707 ( 1.275 -0.131 -2.034) 2.405 13.912 ( -3.142 -1.013 0.286) 3.313 13.972 ( 0.260 0.032 -3.765) 3.774 14.039 ( 1.252 -0.595 -2.056) 2.480 14.061 ( -0.221 1.923 2.009) 2.790 14.283 ( -0.044 1.431 -1.217) 1.879 14.403 ( 2.516 1.794 1.406) 3.395 14.484 ( -1.317 1.176 1.355) 2.226 14.717 ( -0.194 -2.490 -3.496) 4.296 15.282 ( 0.191 2.595 3.304) 4.206 15.346 ( -0.338 3.343 6.991) 7.757 15.606 ( -0.324 -5.238 -0.797) 5.308 15.765 ( -0.977 1.280 2.355) 2.853 15.885 ( 2.319 -2.899 -13.207) 13.718 15.941 ( -1.073 -0.112 -12.488) 12.534 17.258 ( 0.457 0.197 0.119) 0.511 17.588 ( -2.578 -1.716 0.704) 3.176 17.630 ( 2.103 -1.509 0.626) 2.663 18.336 ( 0.030 0.444 3.372) 3.402 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.47 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -5.425 -7.469 3.491) 9.870 2.057 ( 9.312 4.200 -2.126) 10.434 2.167 ( 1.907 0.846 1.148) 2.381 2.261 ( 1.793 -5.010 -5.226) 7.458 2.393 ( 4.475 -5.594 -1.313) 7.283 2.413 ( 2.585 -2.839 -2.334) 4.493 2.573 ( 1.480 3.269 3.688) 5.146 2.602 ( 2.849 -5.305 5.040) 7.852 2.855 ( -3.891 3.359 0.812) 5.204 2.893 ( -3.135 1.717 5.360) 6.443 2.922 ( -1.854 2.712 2.461) 4.105 2.953 ( -2.051 1.480 4.035) 4.763 3.003 ( 0.269 0.536 3.514) 3.565 3.024 ( -0.811 2.039 1.288) 2.544 3.090 ( -2.069 2.783 -1.810) 3.912 3.115 ( -0.846 0.627 -4.394) 4.519 3.148 ( -3.238 7.942 -1.924) 8.790 3.212 ( -0.042 -3.389 -2.402) 4.154 3.262 ( -6.788 -0.149 0.932) 6.853 3.522 ( 3.306 -3.124 -2.511) 5.196 3.560 ( -4.045 6.700 -0.539) 7.845 3.633 ( -2.014 5.280 3.934) 6.885 3.687 ( -0.298 -0.180 4.075) 4.090 3.702 ( 1.173 -0.424 4.244) 4.424 3.777 ( -1.625 -3.121 5.578) 6.595 3.804 ( 1.857 1.272 9.536) 9.798 3.832 ( 0.061 -2.743 2.463) 3.687 3.955 ( 0.759 1.209 3.425) 3.710 4.006 ( 1.068 -1.636 4.462) 4.871 4.077 ( 3.902 -1.860 -0.230) 4.329 4.112 ( 2.485 -4.057 2.119) 5.208 4.232 ( 0.678 -1.255 3.617) 3.888 4.302 ( -0.992 0.857 2.973) 3.250 4.349 ( 2.333 0.143 11.384) 11.621 4.478 ( -0.196 -2.693 -1.973) 3.344 4.556 ( -0.090 0.320 3.470) 3.486 4.743 ( -1.157 1.198 1.454) 2.211 4.766 ( 1.030 -1.053 1.798) 2.324 4.885 ( 0.769 1.600 -2.250) 2.866 4.900 ( -0.603 -1.345 4.634) 4.863 4.991 ( 1.204 -0.232 -7.651) 7.749 5.011 ( 1.635 -0.172 -7.209) 7.394 5.032 ( -0.389 -0.849 -4.742) 4.833 5.055 ( 0.789 -1.655 -2.354) 2.984 5.073 ( -1.247 1.356 -6.836) 7.080 5.186 ( 0.966 -0.898 -5.063) 5.232 5.258 ( 1.550 -1.888 -11.063) 11.330 5.650 ( -1.265 1.600 -1.451) 2.503 5.689 ( 0.704 -0.720 4.273) 4.390 5.713 ( 2.069 -2.580 0.968) 3.446 6.346 ( -5.660 6.368 -0.906) 8.568 6.586 ( -0.271 -1.505 -2.046) 2.554 6.642 ( -0.157 1.000 -0.018) 1.012 6.660 ( 0.164 0.849 -0.319) 0.922 6.679 ( -0.878 -0.611 2.640) 2.849 6.833 ( 1.216 2.441 -0.976) 2.896 6.898 ( 1.487 -1.924 -0.954) 2.612 6.963 ( -0.139 -3.197 0.395) 3.224 7.090 ( -0.843 2.323 -1.763) 3.036 7.220 ( -3.163 2.388 -0.295) 3.975 7.354 ( 2.530 -1.580 1.193) 3.212 7.618 ( 3.681 -3.735 3.164) 6.125 7.819 ( -1.166 1.108 4.035) 4.343 7.914 ( -2.251 -0.383 -8.157) 8.470 8.181 ( -1.990 2.118 1.508) 3.274 8.351 ( -0.952 -0.749 -1.846) 2.208 8.380 ( 0.290 4.938 2.147) 5.392 8.546 ( -3.648 2.031 0.159) 4.178 8.746 ( 5.276 -6.636 5.459) 10.084 8.840 ( 9.136 -7.023 -2.755) 11.848 9.086 ( -0.470 4.211 10.880) 11.676 9.165 ( -1.027 -0.033 6.988) 7.063 9.387 ( 1.390 0.959 -11.365) 11.490 9.415 ( 1.725 -7.327 3.203) 8.181 9.481 ( -4.511 0.380 -4.678) 6.509 9.548 ( 2.172 -0.689 -0.760) 2.402 9.634 ( 1.898 0.331 -4.272) 4.686 9.977 ( 0.783 1.270 5.545) 5.742 10.098 ( 2.831 -1.804 9.836) 10.393 10.295 ( -3.435 2.173 -7.355) 8.403 10.445 ( -3.108 -3.372 0.404) 4.604 10.681 ( 3.073 -1.038 -10.526) 11.015 10.733 ( -5.281 -0.713 8.192) 9.773 10.936 ( 5.879 5.208 3.852) 8.747 11.302 ( -2.563 -0.786 -10.247) 10.592 11.357 ( 5.075 -1.517 -3.174) 6.175 11.575 ( -6.648 5.854 1.817) 9.042 11.870 ( -8.392 8.862 -5.749) 13.491 12.087 ( -4.872 3.434 2.932) 6.643 12.237 ( -2.890 2.406 21.726) 22.049 12.440 ( 2.648 -3.445 -10.775) 11.618 12.602 ( -2.184 2.852 -10.024) 10.648 12.957 ( 8.219 -9.689 -1.667) 12.814 13.263 ( -0.813 1.353 0.440) 1.639 13.318 ( 0.932 0.303 -0.564) 1.131 13.680 ( -4.720 3.814 -1.647) 6.288 13.923 ( 4.599 -0.839 2.316) 5.217 13.988 ( 3.467 -4.444 -2.820) 6.303 14.019 ( -0.370 -2.595 -2.071) 3.341 14.102 ( -0.167 1.475 -1.484) 2.099 14.312 ( -0.901 1.261 -1.490) 2.150 14.436 ( -2.507 0.344 0.445) 2.569 14.451 ( -0.340 0.975 -1.785) 2.062 14.699 ( 0.914 -0.478 -0.229) 1.057 15.346 ( -1.820 -1.272 1.633) 2.756 15.356 ( 1.866 1.389 0.925) 2.504 15.548 ( 1.861 -1.412 4.491) 5.062 15.777 ( -0.004 2.306 -3.446) 4.146 15.838 ( -1.562 -1.967 -3.187) 4.058 15.944 ( 1.684 -0.844 -13.500) 13.631 17.260 ( 1.379 -1.893 -0.206) 2.351 17.562 ( -0.401 2.611 5.249) 5.876 17.618 ( 0.221 -1.899 -0.207) 1.923 18.343 ( -0.987 0.959 2.832) 3.148 ======================= Grid point 13 (9/50) ======================= q-point: ( 0.47 -0.03 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -8.042 4.644 15.110) 17.735 1.961 ( -10.115 13.689 10.131) 19.807 2.206 ( -0.091 -1.453 0.812) 1.667 2.264 ( 0.781 1.831 -4.969) 5.353 2.394 ( -3.702 2.247 -0.879) 4.419 2.399 ( -1.913 2.578 -1.277) 3.455 2.588 ( 5.920 -4.467 0.009) 7.416 2.744 ( 0.004 -0.684 -3.948) 4.007 2.851 ( 2.497 -0.655 1.041) 2.783 2.916 ( 1.169 0.259 0.166) 1.208 2.931 ( -0.279 -3.605 2.743) 4.539 2.964 ( -0.005 -4.070 3.027) 5.072 3.016 ( 2.037 0.977 0.958) 2.454 3.041 ( 2.153 0.603 2.784) 3.571 3.063 ( -0.554 -3.008 1.491) 3.403 3.074 ( 0.705 -0.493 -1.937) 2.119 3.127 ( 1.635 -7.345 -1.496) 7.672 3.211 ( -0.115 2.592 -1.141) 2.834 3.304 ( 5.302 -0.022 -3.319) 6.255 3.440 ( -1.280 4.432 3.921) 6.054 3.553 ( 5.314 -7.600 -0.445) 9.285 3.659 ( 0.816 -0.548 6.533) 6.607 3.694 ( -0.963 -1.872 -0.774) 2.243 3.751 ( 1.478 -3.266 -2.651) 4.459 3.763 ( 1.168 -0.316 7.737) 7.831 3.841 ( 0.103 -0.750 5.326) 5.380 3.880 ( -1.269 0.431 -1.034) 1.693 3.929 ( 3.519 1.018 4.821) 6.055 3.981 ( -4.234 3.836 9.909) 11.438 4.059 ( -4.945 0.438 1.726) 5.256 4.145 ( -2.510 6.547 -1.660) 7.205 4.203 ( -0.962 0.582 3.667) 3.835 4.257 ( 1.569 -1.253 1.984) 2.822 4.403 ( 1.203 -0.518 15.079) 15.136 4.501 ( -1.433 -1.106 2.675) 3.230 4.551 ( -0.441 1.756 0.551) 1.893 4.748 ( 0.945 -1.101 -1.663) 2.206 4.806 ( 0.900 -1.530 2.062) 2.721 4.867 ( -0.075 -0.589 -3.974) 4.018 4.961 ( 1.834 0.699 3.001) 3.586 4.971 ( -0.366 0.733 -12.284) 12.311 4.986 ( -0.302 1.549 -9.663) 9.791 5.009 ( -0.756 1.320 -7.704) 7.853 5.054 ( -4.334 1.042 -0.500) 4.485 5.115 ( 1.933 -2.577 -4.364) 5.424 5.184 ( -0.673 1.575 -4.505) 4.819 5.290 ( 0.209 -0.438 -13.357) 13.366 5.624 ( 0.761 -0.397 1.075) 1.375 5.698 ( 0.520 0.890 2.336) 2.553 5.746 ( -2.931 0.750 -1.343) 3.310 6.266 ( 3.221 -2.530 6.981) 8.094 6.533 ( -2.358 2.081 2.837) 4.235 6.641 ( -0.573 -0.552 -0.812) 1.137 6.656 ( 1.220 -0.080 0.666) 1.392 6.712 ( 1.228 -0.197 -1.173) 1.709 6.824 ( 0.831 -1.564 -0.875) 1.975 6.960 ( -0.557 -0.888 -5.588) 5.686 6.997 ( 0.924 1.449 -1.137) 2.061 7.046 ( -0.288 -0.891 1.117) 1.458 7.215 ( 2.093 -3.413 0.211) 4.009 7.353 ( -1.126 2.542 1.425) 3.124 7.674 ( -4.313 4.907 -3.009) 7.193 7.732 ( -0.343 -0.069 9.613) 9.619 7.920 ( -0.388 -1.209 -4.863) 5.026 8.206 ( 2.119 -3.109 -0.679) 3.823 8.292 ( -0.733 -1.859 3.357) 3.906 8.406 ( 3.605 0.392 -1.690) 4.000 8.563 ( 6.992 -0.307 0.099) 6.999 8.718 ( -5.341 3.675 2.942) 7.119 8.910 ( -6.294 4.040 -3.511) 8.261 9.075 ( -2.393 -0.339 7.864) 8.227 9.264 ( -1.363 -0.403 -0.613) 1.548 9.318 ( 1.494 -0.216 6.738) 6.905 9.429 ( 1.427 -0.453 -10.262) 10.371 9.457 ( -0.369 -2.854 2.246) 3.650 9.537 ( -3.597 4.579 -8.106) 9.981 9.712 ( 3.317 -0.006 -5.686) 6.583 10.004 ( 3.967 -1.709 5.331) 6.861 10.152 ( -1.042 1.361 3.486) 3.884 10.167 ( -3.638 0.958 1.925) 4.226 10.377 ( -4.069 1.486 15.575) 16.167 10.488 ( -8.499 7.165 -1.494) 11.216 10.934 ( 7.528 -1.142 -5.520) 9.404 11.062 ( -0.850 -3.220 -8.289) 8.933 11.140 ( 1.284 -0.192 -0.902) 1.581 11.371 ( -1.199 0.364 0.795) 1.484 11.519 ( 8.008 -5.546 7.817) 12.490 11.730 ( 0.466 -0.623 3.056) 3.154 12.098 ( 1.150 -2.784 5.136) 5.954 12.198 ( 1.159 -0.895 13.879) 13.957 12.409 ( -5.776 5.237 3.125) 8.400 12.637 ( 3.902 -3.244 -16.474) 17.237 13.062 ( -4.257 1.444 -10.035) 10.996 13.300 ( 5.428 1.496 -2.269) 6.070 13.333 ( -1.089 -3.359 -2.096) 4.106 13.688 ( 4.205 -5.184 -2.726) 7.210 13.955 ( -1.641 3.609 0.576) 4.006 13.977 ( -2.469 2.987 1.025) 4.008 13.987 ( -1.923 2.365 -3.177) 4.403 14.110 ( -0.230 -0.139 -3.267) 3.278 14.285 ( 0.061 0.109 0.873) 0.881 14.356 ( -1.999 -3.060 5.402) 6.522 14.452 ( 0.072 3.003 0.873) 3.128 14.753 ( 1.681 -1.650 -5.027) 5.551 15.267 ( -2.083 1.918 8.705) 9.154 15.296 ( -2.733 3.011 6.629) 7.777 15.679 ( 2.722 -2.391 -8.059) 8.836 15.741 ( 0.464 0.087 6.172) 6.190 15.890 ( 1.793 -2.884 -11.381) 11.877 15.960 ( -0.870 1.152 -16.661) 16.724 17.255 ( -1.896 1.489 -0.099) 2.412 17.601 ( 3.911 -2.007 1.664) 4.700 17.653 ( -0.307 -1.173 -3.760) 3.951 18.333 ( 0.647 -0.678 4.042) 4.149 ======================= Grid point 14 (10/50) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.552 -7.029 -18.566) 19.912 1.570 ( 1.453 -24.802 -15.445) 29.254 2.169 ( 0.161 0.520 -3.088) 3.135 2.322 ( -0.382 -0.678 1.376) 1.581 2.416 ( 0.552 -0.689 1.996) 2.183 2.417 ( -0.295 1.088 1.809) 2.131 2.614 ( 0.085 0.997 -17.681) 17.709 2.652 ( 0.460 6.602 -0.295) 6.624 2.815 ( -0.199 4.479 -4.651) 6.460 2.846 ( 1.865 2.004 -3.401) 4.366 2.883 ( 0.495 0.530 -7.592) 7.626 2.921 ( -3.206 0.639 -2.175) 3.927 2.944 ( 1.428 4.316 -4.744) 6.571 3.016 ( -2.085 -1.481 -4.402) 5.091 3.062 ( 0.433 -2.043 -4.279) 4.762 3.119 ( 1.568 -3.389 -1.535) 4.037 3.125 ( -1.344 -6.994 1.538) 7.286 3.285 ( -3.670 10.067 1.732) 10.855 3.325 ( 3.652 2.961 2.151) 5.170 3.396 ( 0.242 -0.499 -17.837) 17.845 3.440 ( -0.438 -0.521 -14.029) 14.045 3.457 ( 2.052 -2.405 -0.698) 3.237 3.587 ( -3.464 3.745 -14.786) 15.641 3.588 ( 2.008 3.947 -14.403) 15.068 3.676 ( 1.426 -0.952 -4.730) 5.031 3.775 ( -1.068 -0.609 0.258) 1.256 3.816 ( -0.837 -1.874 2.222) 3.024 3.879 ( -2.208 1.872 3.793) 4.771 3.948 ( 2.365 3.290 3.501) 5.355 4.022 ( -0.989 0.277 1.693) 1.981 4.107 ( 2.578 -4.743 1.422) 5.583 4.149 ( -1.089 -1.262 -0.992) 1.940 4.264 ( 0.990 1.202 0.039) 1.558 4.295 ( -1.173 4.362 1.381) 4.723 4.418 ( 0.880 0.305 -2.888) 3.034 4.543 ( -0.832 -5.523 2.705) 6.206 4.790 ( -0.016 3.685 0.051) 3.685 4.819 ( -2.316 0.308 2.402) 3.351 4.859 ( -0.333 0.341 -4.324) 4.350 4.896 ( 4.053 -0.524 -0.837) 4.172 5.017 ( -0.834 -5.793 0.623) 5.886 5.103 ( -0.387 3.501 5.970) 6.931 5.207 ( -1.032 0.593 5.753) 5.874 5.237 ( 0.983 -0.507 5.163) 5.281 5.327 ( 0.574 1.357 15.139) 15.210 5.343 ( -0.779 0.348 14.708) 14.733 5.600 ( -0.636 1.437 7.846) 8.002 5.618 ( 2.689 1.563 2.464) 3.968 5.650 ( -1.069 0.196 0.004) 1.086 5.698 ( -1.231 -1.167 -3.014) 3.459 6.099 ( 0.462 -3.175 -11.008) 11.467 6.467 ( -0.033 -3.113 -1.458) 3.438 6.667 ( 0.059 0.901 2.242) 2.417 6.679 ( -0.620 -0.250 2.038) 2.144 6.762 ( 0.663 5.734 2.131) 6.153 6.889 ( 0.256 0.491 1.388) 1.494 6.954 ( 0.533 1.069 -4.827) 4.973 7.042 ( -1.179 -2.787 3.704) 4.783 7.063 ( 0.258 0.696 2.886) 2.980 7.253 ( -1.966 1.181 -1.058) 2.525 7.284 ( 2.048 -1.656 -1.874) 3.232 7.534 ( -0.082 0.054 -8.891) 8.891 7.685 ( -0.106 -4.024 2.238) 4.606 7.977 ( -1.132 1.199 1.523) 2.244 8.217 ( 0.093 1.380 -1.529) 2.062 8.269 ( -0.690 -0.407 1.268) 1.499 8.420 ( 2.720 -6.797 -0.696) 7.354 8.626 ( 3.930 6.153 3.268) 8.000 8.703 ( -6.292 5.715 -5.701) 10.234 8.847 ( 9.078 1.228 2.873) 9.601 8.974 ( -8.417 -3.845 -1.834) 9.433 9.189 ( -3.792 -2.326 -3.542) 5.686 9.232 ( 4.400 -2.582 -0.740) 5.155 9.428 ( -2.091 1.338 -3.344) 4.164 9.508 ( 1.469 7.119 -8.086) 10.873 9.716 ( 4.555 1.318 2.733) 5.473 9.851 ( -6.623 -4.524 -10.232) 13.001 9.881 ( 0.613 1.692 10.894) 11.042 9.982 ( 3.793 0.459 3.511) 5.189 10.134 ( -3.616 -9.335 -3.605) 10.640 10.219 ( 0.933 -7.503 4.678) 8.891 10.389 ( 0.349 -6.771 -2.998) 7.413 11.029 ( -0.570 5.590 -1.419) 5.795 11.150 ( 0.720 6.819 -7.197) 9.940 11.212 ( 1.051 -3.705 4.332) 5.797 11.290 ( -0.066 -4.453 -5.258) 6.891 11.476 ( 0.830 6.603 -0.666) 6.688 11.709 ( 0.021 -0.777 -0.033) 0.778 11.894 ( -0.110 -0.465 -9.609) 9.621 12.001 ( -0.937 -4.408 -5.297) 6.955 12.408 ( -0.310 -6.719 5.231) 8.520 12.842 ( 0.179 2.681 2.969) 4.004 13.293 ( -2.479 4.122 7.295) 8.738 13.351 ( 1.263 3.967 1.326) 4.369 13.421 ( 1.111 -0.893 6.247) 6.407 13.789 ( -1.103 3.300 -0.061) 3.480 13.895 ( -1.182 -2.159 -5.136) 5.695 13.915 ( 3.509 0.772 -2.522) 4.390 14.095 ( 0.830 1.699 3.584) 4.052 14.132 ( 0.642 4.659 0.126) 4.704 14.303 ( -6.481 -4.343 -1.348) 7.917 14.343 ( 1.165 0.001 6.295) 6.402 14.384 ( 2.458 -6.689 3.668) 8.015 14.922 ( -0.075 3.151 10.801) 11.251 15.105 ( 1.123 -2.873 -4.921) 5.807 15.145 ( -1.021 -6.355 -0.403) 6.449 15.606 ( 0.439 -2.604 -5.129) 5.770 15.983 ( -0.291 6.338 17.516) 18.630 16.255 ( 2.077 2.487 17.965) 18.255 16.283 ( -2.012 0.020 18.914) 19.021 17.275 ( -0.310 0.581 3.290) 3.356 17.641 ( 2.325 5.282 -1.303) 5.916 17.676 ( -1.963 2.140 0.730) 2.994 18.191 ( -0.049 -0.409 -10.920) 10.928 ======================= Grid point 16 (11/50) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 9.993 10.395 -13.598) 19.820 2.113 ( -4.331 -6.039 -6.012) 9.559 2.181 ( 20.824 7.663 -4.132) 22.571 2.270 ( -7.092 0.500 -0.209) 7.113 2.378 ( 1.797 3.784 -0.583) 4.229 2.457 ( 2.539 0.203 -0.826) 2.678 2.587 ( -2.199 -0.321 -9.100) 9.367 2.632 ( 2.072 2.192 -0.639) 3.083 2.678 ( -6.115 -0.346 -10.324) 12.004 2.843 ( 0.270 -0.283 -5.159) 5.173 2.875 ( -1.608 0.381 0.434) 1.709 2.879 ( -4.423 3.322 -0.789) 5.588 2.922 ( -5.038 -3.600 1.975) 6.500 2.941 ( -0.589 1.364 -5.763) 5.952 3.033 ( 0.547 -6.088 -1.531) 6.301 3.122 ( 3.938 -0.817 -2.119) 4.546 3.171 ( 2.104 -1.446 -3.848) 4.617 3.213 ( -1.776 -7.147 -3.146) 8.009 3.324 ( -3.812 -2.301 -6.453) 7.840 3.357 ( -1.257 1.084 -5.104) 5.367 3.412 ( -0.041 -0.870 -15.705) 15.729 3.452 ( -3.902 -2.209 -20.862) 21.338 3.506 ( 4.471 -2.590 -3.023) 5.986 3.509 ( -0.929 0.362 -5.395) 5.486 3.655 ( 0.631 -2.946 -4.078) 5.070 3.722 ( 0.557 0.223 -1.718) 1.820 3.821 ( -0.380 -0.921 3.814) 3.942 3.906 ( 0.040 2.818 -0.484) 2.860 3.926 ( 1.134 0.684 0.024) 1.325 4.040 ( 0.452 -0.931 -2.648) 2.843 4.155 ( -0.799 0.872 -2.165) 2.467 4.190 ( -1.585 -0.960 2.077) 2.784 4.223 ( 1.238 1.230 -1.221) 2.130 4.319 ( 0.267 3.752 1.838) 4.186 4.502 ( 0.928 6.550 1.992) 6.909 4.614 ( 1.296 1.230 2.767) 3.294 4.695 ( -2.864 -2.801 0.118) 4.008 4.794 ( -1.699 -0.437 0.580) 1.848 4.840 ( -0.869 0.032 -1.393) 1.642 4.947 ( -1.191 1.764 -1.985) 2.910 5.026 ( -2.061 -0.549 2.638) 3.393 5.090 ( 2.736 0.394 1.888) 3.347 5.129 ( -3.889 -2.310 3.950) 6.005 5.224 ( 0.227 -1.005 8.463) 8.525 5.315 ( -0.436 0.893 6.928) 6.999 5.376 ( -1.585 3.861 15.728) 16.273 5.573 ( 1.530 -0.300 5.582) 5.795 5.599 ( -1.547 -1.297 4.572) 4.998 5.650 ( 0.874 -1.583 1.354) 2.259 5.724 ( -2.688 5.475 -3.098) 6.841 6.161 ( 6.185 -4.491 -7.647) 10.812 6.549 ( 3.899 0.569 -0.512) 3.973 6.618 ( -1.926 -2.824 -0.761) 3.502 6.650 ( -0.529 0.859 1.640) 1.925 6.744 ( -0.164 0.806 2.070) 2.228 6.865 ( 0.383 -2.601 0.446) 2.666 6.916 ( -2.150 0.114 -0.401) 2.190 7.008 ( -0.017 -0.212 0.439) 0.488 7.093 ( -0.791 0.370 -0.723) 1.134 7.221 ( 0.861 -0.592 5.280) 5.382 7.343 ( 0.629 0.783 -2.391) 2.593 7.520 ( -1.185 0.384 -9.868) 9.946 7.792 ( 1.020 4.187 2.813) 5.147 7.981 ( 0.517 4.436 2.075) 4.924 8.182 ( -0.490 -2.016 0.435) 2.120 8.264 ( 1.866 -1.563 0.544) 2.494 8.442 ( -5.621 -4.869 -2.673) 7.902 8.525 ( 3.049 -7.315 1.172) 8.011 8.703 ( -1.929 2.703 -4.033) 5.224 8.850 ( 6.727 0.070 -4.647) 8.177 9.015 ( -8.903 6.189 -5.186) 12.019 9.100 ( -4.034 3.453 0.700) 5.356 9.339 ( 1.381 4.985 -3.037) 5.998 9.405 ( 5.106 -2.420 -1.502) 5.847 9.470 ( -1.749 -1.254 -7.342) 7.650 9.688 ( -1.568 -4.214 6.836) 8.182 9.816 ( -0.717 4.241 -6.596) 7.874 9.896 ( -1.474 2.559 10.159) 10.580 10.047 ( -4.313 1.069 -4.246) 6.146 10.266 ( 9.124 1.371 1.588) 9.362 10.336 ( 4.787 -2.138 6.347) 8.232 10.543 ( 2.428 4.131 -2.589) 5.446 10.845 ( -4.320 -3.493 -1.785) 5.835 11.017 ( -2.999 -5.347 0.410) 6.144 11.329 ( 3.095 -1.804 -2.263) 4.237 11.423 ( 0.197 -1.134 -2.433) 2.691 11.522 ( 14.005 7.291 3.799) 16.240 11.703 ( -2.552 -0.426 -14.453) 14.683 11.901 ( 2.688 -4.922 0.342) 5.619 11.960 ( -1.080 -3.187 -2.304) 4.078 12.570 ( 4.663 3.852 4.930) 7.803 12.773 ( -4.739 0.622 5.893) 7.587 13.123 ( -4.240 -1.696 -0.424) 4.586 13.349 ( -2.174 2.858 4.708) 5.921 13.415 ( -1.140 -1.840 7.477) 7.784 13.657 ( -0.643 -4.354 0.751) 4.465 13.942 ( -0.794 0.154 -6.241) 6.293 13.985 ( 1.754 1.440 -3.213) 3.934 14.070 ( 1.044 -0.695 2.551) 2.843 14.167 ( -2.809 5.128 2.101) 6.213 14.293 ( 2.334 -1.828 -1.933) 3.539 14.305 ( 2.733 -2.342 2.511) 4.389 14.511 ( 0.541 2.801 2.763) 3.971 14.843 ( -3.242 -0.567 10.681) 11.177 15.139 ( 3.688 -3.550 -7.062) 8.722 15.346 ( 6.689 5.006 6.408) 10.529 15.749 ( 5.303 1.729 0.531) 5.603 15.818 ( -4.844 1.570 16.643) 17.404 16.073 ( -7.902 -8.124 13.642) 17.736 16.317 ( -2.194 4.316 17.701) 18.351 17.261 ( -0.864 1.540 -0.319) 1.795 17.478 ( -2.049 -7.067 -4.310) 8.527 17.679 ( -2.820 4.200 1.913) 5.408 18.204 ( 1.663 -0.932 -8.661) 8.868 ======================= Grid point 17 (12/50) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -9.900 -11.937 -13.394) 20.492 2.011 ( 0.513 2.080 -6.753) 7.084 2.183 ( -1.964 -11.369 -3.467) 12.047 2.345 ( -0.165 0.007 2.423) 2.428 2.397 ( -5.455 -2.031 -2.649) 6.395 2.447 ( -1.238 -3.002 -0.516) 3.288 2.524 ( 1.950 3.326 -0.019) 3.855 2.583 ( -2.340 1.895 -7.952) 8.502 2.688 ( -0.153 5.961 -11.219) 12.705 2.833 ( 1.337 1.156 -7.751) 7.950 2.854 ( -0.185 -0.110 -2.490) 2.500 2.896 ( -1.856 1.615 -4.919) 5.500 2.948 ( -1.738 2.254 1.374) 3.160 2.992 ( 2.381 5.802 2.215) 6.651 3.081 ( 4.385 -1.296 -5.544) 7.186 3.097 ( 4.456 -3.721 1.235) 5.935 3.180 ( 0.632 0.114 -5.929) 5.964 3.225 ( 5.018 1.769 1.025) 5.419 3.304 ( -0.268 -4.149 -8.078) 9.085 3.379 ( 4.907 4.156 -1.347) 6.570 3.397 ( 0.587 1.175 -15.168) 15.225 3.436 ( 0.956 -0.504 -9.400) 9.462 3.471 ( 1.065 0.195 -16.253) 16.289 3.528 ( 0.848 1.792 -4.618) 5.026 3.639 ( 0.625 -1.191 -7.029) 7.157 3.767 ( 3.112 -0.675 -1.090) 3.366 3.818 ( 1.746 -0.398 3.846) 4.243 3.898 ( -2.667 1.190 0.196) 2.927 3.923 ( -2.030 -1.267 -0.259) 2.407 4.042 ( 0.447 -0.377 -2.480) 2.548 4.121 ( -2.775 0.693 -3.895) 4.832 4.200 ( 0.360 1.330 2.512) 2.865 4.232 ( -0.071 -0.774 -1.773) 1.936 4.309 ( -4.108 -0.358 3.124) 5.174 4.497 ( -6.121 -1.917 1.131) 6.513 4.612 ( 0.229 0.570 2.724) 2.792 4.741 ( 2.727 1.603 -0.065) 3.164 4.791 ( 0.925 1.718 0.869) 2.136 4.835 ( -0.143 1.731 -1.510) 2.302 4.908 ( -3.834 -0.448 1.231) 4.052 5.018 ( 0.596 2.229 -0.940) 2.491 5.085 ( -0.190 -0.003 3.035) 3.041 5.164 ( 2.966 2.045 4.869) 6.057 5.221 ( 0.988 -0.436 7.200) 7.280 5.311 ( -1.465 0.397 7.409) 7.563 5.385 ( -3.527 1.675 16.290) 16.751 5.560 ( 0.466 -0.549 4.294) 4.354 5.590 ( 0.354 -0.639 3.817) 3.886 5.654 ( 1.615 -0.019 2.501) 2.977 5.746 ( -4.626 3.439 -3.088) 6.539 6.149 ( 4.221 -6.708 -7.350) 10.809 6.541 ( -0.504 -3.031 -1.413) 3.382 6.626 ( 2.718 0.830 0.101) 2.843 6.665 ( 0.046 0.854 1.855) 2.043 6.728 ( -1.128 -0.364 1.736) 2.102 6.842 ( 0.642 0.939 1.985) 2.288 6.926 ( 0.080 1.570 -2.349) 2.827 7.027 ( 2.152 -1.193 -0.535) 2.518 7.083 ( -1.370 1.818 1.035) 2.501 7.244 ( 2.939 -0.534 4.581) 5.469 7.312 ( -3.336 -0.796 -2.238) 4.095 7.527 ( -0.080 1.118 -9.148) 9.216 7.800 ( -3.857 -1.189 2.062) 4.532 8.076 ( -1.077 -3.426 6.300) 7.251 8.167 ( 0.343 2.029 -1.833) 2.756 8.211 ( 0.692 2.225 -4.060) 4.681 8.428 ( 3.819 1.291 4.005) 5.682 8.477 ( 4.380 -3.285 -1.372) 5.644 8.706 ( -1.189 2.169 -7.630) 8.021 8.768 ( -4.349 -1.112 -3.387) 5.624 9.088 ( 3.391 6.347 -5.166) 8.858 9.154 ( -7.519 4.406 3.086) 9.245 9.339 ( -2.658 -4.973 -5.752) 8.055 9.428 ( 1.361 -0.517 -3.431) 3.727 9.453 ( 0.427 -0.054 -4.351) 4.372 9.629 ( 1.254 -0.243 3.002) 3.262 9.874 ( 0.276 -1.956 7.515) 7.770 9.936 ( -0.907 5.341 3.190) 6.287 9.969 ( -4.429 2.469 -3.363) 6.084 10.315 ( -0.156 -5.168 -0.708) 5.219 10.342 ( 1.423 -6.586 2.256) 7.106 10.595 ( -2.180 -5.596 -2.565) 6.530 10.854 ( 7.520 6.788 -2.644) 10.470 10.927 ( -1.391 3.407 3.614) 5.158 11.302 ( 1.704 -5.748 -0.378) 6.007 11.410 ( -1.812 0.406 -0.424) 1.905 11.493 ( -4.812 -9.788 -0.221) 10.909 11.723 ( 0.110 0.395 -13.870) 13.876 11.890 ( 3.601 -3.127 -1.672) 5.054 12.004 ( 5.248 1.303 -0.591) 5.439 12.603 ( -2.963 -6.341 4.996) 8.599 12.752 ( -0.722 5.794 4.838) 7.583 13.170 ( 3.990 6.060 -0.640) 7.284 13.329 ( -3.799 0.014 9.941) 10.643 13.385 ( 0.309 1.962 3.903) 4.379 13.683 ( 6.605 0.702 0.495) 6.660 13.874 ( -4.804 0.433 -3.878) 6.189 13.986 ( -1.213 -2.375 -6.504) 7.029 14.074 ( 0.328 -0.245 2.940) 2.968 14.143 ( -3.278 0.774 0.430) 3.395 14.299 ( 2.264 0.233 -0.265) 2.291 14.392 ( 5.001 -2.924 2.662) 6.375 14.492 ( -4.666 -0.989 2.576) 5.421 14.841 ( 0.437 3.430 11.600) 12.104 15.134 ( 3.123 -3.930 -6.694) 8.367 15.352 ( -4.545 -6.605 5.690) 9.831 15.696 ( -3.139 -2.546 3.454) 5.316 15.854 ( -0.960 2.799 13.929) 14.240 16.068 ( 7.695 7.072 12.665) 16.420 16.327 ( -3.585 2.408 18.320) 18.822 17.286 ( -1.416 0.706 0.190) 1.594 17.438 ( 5.622 2.313 -4.773) 7.729 17.691 ( -2.971 2.713 1.664) 4.354 18.205 ( 1.000 -1.641 -8.597) 8.809 ======================= Grid point 18 (13/50) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 0.000 -23.114) 23.114 0.457 ( -0.000 0.000 -23.114) 23.114 1.074 ( -0.000 0.000 -53.361) 53.361 2.080 ( -0.000 0.000 -1.232) 1.232 2.097 ( -0.000 0.000 -10.871) 10.871 2.420 ( -0.000 0.000 -9.897) 9.897 2.420 ( -0.000 0.000 -9.897) 9.897 2.440 ( -0.000 0.000 -1.136) 1.136 2.440 ( -0.000 0.000 -1.136) 1.136 2.566 ( -0.000 0.000 -7.529) 7.529 2.609 ( -0.000 0.000 -4.183) 4.183 2.707 ( -0.000 0.000 -1.311) 1.311 2.780 ( -0.000 0.000 -0.665) 0.665 2.780 ( -0.000 0.000 -0.665) 0.665 2.975 ( 0.000 -0.000 0.006) 0.006 2.975 ( 0.000 -0.000 0.006) 0.006 3.016 ( -0.000 0.000 -2.753) 2.753 3.060 ( -0.000 0.000 -0.761) 0.761 3.218 ( -0.000 0.000 -4.794) 4.794 3.218 ( -0.000 0.000 -4.794) 4.794 3.435 ( -0.000 0.000 -1.655) 1.655 3.488 ( 0.000 -0.000 0.951) 0.951 3.488 ( 0.000 -0.000 0.951) 0.951 3.541 ( 0.000 -0.000 4.261) 4.261 3.650 ( 0.000 -0.000 6.186) 6.186 3.891 ( 0.000 -0.000 2.195) 2.195 3.902 ( 0.000 -0.000 0.945) 0.945 4.002 ( -0.000 0.000 -2.762) 2.762 4.090 ( 0.000 -0.000 2.414) 2.414 4.100 ( 0.000 -0.000 0.737) 0.737 4.209 ( 0.000 -0.000 3.974) 3.974 4.209 ( 0.000 -0.000 3.974) 3.974 4.334 ( 0.000 -0.000 1.694) 1.694 4.409 ( 0.000 -0.000 0.500) 0.500 4.409 ( 0.000 -0.000 0.500) 0.500 4.574 ( 0.000 -0.000 2.801) 2.801 4.699 ( -0.000 0.000 -3.456) 3.456 4.925 ( 0.000 -0.000 1.807) 1.807 4.960 ( 0.000 -0.000 0.673) 0.673 4.961 ( 0.000 -0.000 6.054) 6.054 4.961 ( 0.000 -0.000 6.054) 6.054 5.322 ( -0.000 0.000 -5.652) 5.652 5.322 ( -0.000 0.000 -5.652) 5.652 5.374 ( -0.000 0.000 -3.258) 3.258 5.374 ( -0.000 0.000 -3.258) 3.258 5.418 ( 0.000 -0.000 5.399) 5.399 5.609 ( -0.000 0.000 -1.067) 1.067 5.694 ( -0.000 0.000 -5.041) 5.041 5.710 ( 0.000 -0.000 2.084) 2.084 5.710 ( 0.000 -0.000 2.084) 2.084 5.932 ( 0.000 -0.000 2.520) 2.520 6.415 ( 0.000 -0.000 0.248) 0.248 6.739 ( -0.000 0.000 -4.490) 4.490 6.771 ( 0.000 -0.000 1.776) 1.776 6.771 ( 0.000 -0.000 1.776) 1.776 6.886 ( -0.000 0.000 -1.441) 1.441 6.886 ( -0.000 0.000 -1.441) 1.441 7.137 ( 0.000 -0.000 3.947) 3.947 7.205 ( 0.000 -0.000 0.878) 0.878 7.205 ( 0.000 -0.000 0.878) 0.878 7.216 ( 0.000 -0.000 0.821) 0.821 7.349 ( -0.000 0.000 -1.197) 1.197 7.566 ( -0.000 0.000 -3.053) 3.053 8.250 ( 0.000 -0.000 1.450) 1.450 8.250 ( 0.000 -0.000 1.450) 1.450 8.262 ( 0.000 -0.000 5.379) 5.379 8.354 ( 0.000 -0.000 0.465) 0.465 8.717 ( -0.000 0.000 -0.192) 0.192 8.723 ( -0.000 0.000 -3.395) 3.395 8.723 ( -0.000 0.000 -3.395) 3.395 8.869 ( 0.000 -0.000 1.571) 1.571 9.057 ( -0.000 0.000 -9.383) 9.383 9.152 ( -0.000 0.000 -4.009) 4.009 9.152 ( -0.000 0.000 -4.009) 4.009 9.416 ( -0.000 0.000 -0.584) 0.584 9.636 ( 0.000 -0.000 5.060) 5.060 9.636 ( 0.000 -0.000 5.060) 5.060 9.980 ( -0.000 0.000 -5.832) 5.832 10.070 ( -0.000 0.000 -1.628) 1.628 10.207 ( 0.000 -0.000 2.717) 2.717 10.457 ( 0.000 -0.000 5.283) 5.283 10.457 ( 0.000 -0.000 5.283) 5.283 10.631 ( -0.000 0.000 -10.570) 10.570 10.981 ( -0.000 0.000 -2.450) 2.450 11.116 ( 0.000 -0.000 0.068) 0.068 11.116 ( 0.000 -0.000 0.068) 0.068 11.575 ( 0.000 -0.000 1.488) 1.488 11.786 ( -0.000 0.000 -0.011) 0.011 11.786 ( -0.000 0.000 -0.011) 0.011 12.062 ( 0.000 -0.000 5.272) 5.272 12.387 ( -0.000 0.000 -1.537) 1.537 12.936 ( 0.000 -0.000 3.212) 3.212 12.991 ( -0.000 0.000 -13.750) 13.750 12.991 ( -0.000 0.000 -13.750) 13.750 13.647 ( -0.000 0.000 -5.251) 5.251 13.775 ( 0.000 -0.000 4.664) 4.664 13.789 ( -0.000 0.000 -1.121) 1.121 13.789 ( -0.000 0.000 -1.121) 1.121 14.022 ( -0.000 0.000 -2.110) 2.110 14.173 ( 0.000 -0.000 0.796) 0.796 14.173 ( 0.000 -0.000 0.796) 0.796 14.528 ( -0.000 0.000 -4.299) 4.299 14.616 ( 0.000 -0.000 4.588) 4.588 15.144 ( 0.000 -0.000 3.288) 3.288 15.144 ( 0.000 -0.000 3.288) 3.288 15.839 ( 0.000 -0.000 29.727) 29.727 15.899 ( 0.000 -0.000 12.782) 12.782 16.638 ( 0.000 -0.000 9.646) 9.646 16.903 ( 0.000 -0.000 9.593) 9.593 16.903 ( 0.000 -0.000 9.593) 9.593 17.434 ( -0.000 0.000 -23.686) 23.686 17.512 ( 0.000 -0.000 4.967) 4.967 17.716 ( 0.000 -0.000 0.614) 0.614 17.716 ( 0.000 -0.000 0.614) 0.614 ======================= Grid point 19 (14/50) ======================= q-point: (-0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 14.031 20.091 -11.479) 27.061 1.212 ( 7.150 7.051 -45.084) 46.189 1.369 ( 34.174 29.603 -5.574) 45.555 1.934 ( -8.483 -8.852 -17.698) 21.530 2.027 ( -4.473 -5.810 -2.081) 7.622 2.309 ( -3.922 -1.967 -2.591) 5.095 2.379 ( -3.281 4.937 -8.533) 10.390 2.449 ( 1.820 -1.432 -1.660) 2.849 2.468 ( 3.968 -2.186 -6.337) 7.790 2.559 ( -2.962 -1.686 -0.890) 3.523 2.696 ( 2.865 4.399 -4.739) 7.072 2.718 ( 2.970 3.108 -1.249) 4.477 2.793 ( 2.906 -8.921 -1.069) 9.443 2.822 ( -2.482 0.154 0.135) 2.491 2.892 ( -1.989 -1.421 -4.923) 5.496 2.912 ( -1.397 1.612 -4.217) 4.726 2.990 ( -4.319 4.306 0.250) 6.104 3.006 ( -6.518 -8.500 -6.963) 12.775 3.126 ( 2.984 0.840 -0.104) 3.102 3.324 ( 2.059 0.655 -0.013) 2.161 3.371 ( -2.258 -3.446 0.341) 4.134 3.491 ( -0.891 0.370 2.313) 2.506 3.512 ( -4.045 -3.350 3.143) 6.121 3.565 ( 1.812 0.908 -1.077) 2.295 3.689 ( -0.095 1.518 5.306) 5.520 3.807 ( -7.919 -3.922 2.554) 9.199 3.885 ( -0.939 -1.471 0.061) 1.746 3.944 ( -2.069 -1.758 1.693) 3.200 3.997 ( -0.361 -0.288 -1.954) 2.008 4.063 ( -0.229 -1.953 1.340) 2.380 4.150 ( 0.900 -2.594 4.028) 4.875 4.189 ( -2.814 -2.124 0.455) 3.554 4.314 ( 3.976 -1.110 0.457) 4.153 4.399 ( 1.221 4.503 2.072) 5.105 4.548 ( 5.261 2.932 2.086) 6.374 4.625 ( -0.627 2.759 0.453) 2.866 4.741 ( 1.946 1.773 -1.243) 2.911 4.848 ( -0.573 -2.071 4.983) 5.426 4.887 ( -3.716 1.959 2.439) 4.857 5.014 ( 3.110 -0.446 3.132) 4.436 5.108 ( 2.551 1.248 2.835) 4.013 5.196 ( -8.314 -3.877 -4.418) 10.182 5.274 ( 0.131 -3.698 -1.950) 4.182 5.291 ( -1.992 -1.354 -0.407) 2.443 5.407 ( 0.691 -0.578 2.860) 2.998 5.463 ( -1.721 1.745 -6.751) 7.182 5.612 ( 1.013 -1.345 1.554) 2.291 5.642 ( -3.746 1.394 -0.415) 4.018 5.757 ( 3.119 0.743 -5.025) 5.960 5.790 ( 5.460 0.673 2.465) 6.028 5.950 ( -0.994 1.003 2.733) 3.076 6.481 ( 3.274 2.925 0.394) 4.408 6.594 ( -4.947 -6.342 -9.400) 12.372 6.672 ( -3.129 -1.192 -3.574) 4.898 6.791 ( -1.242 -2.015 0.971) 2.558 6.806 ( -4.564 0.498 -0.381) 4.607 6.863 ( 1.467 -0.808 -2.567) 3.065 6.933 ( -1.044 -3.225 -3.594) 4.941 7.134 ( -2.115 -1.154 0.918) 2.579 7.251 ( -2.655 2.651 0.076) 3.752 7.268 ( 1.929 -4.107 -1.594) 4.809 7.530 ( 5.204 6.507 8.207) 11.695 7.690 ( 10.316 8.264 -2.548) 13.461 7.981 ( -4.703 -3.451 -2.061) 6.186 8.181 ( -3.009 -3.707 0.990) 4.876 8.333 ( -4.037 1.865 -1.772) 4.787 8.547 ( -0.532 0.072 9.758) 9.773 8.602 ( -0.328 -4.399 3.894) 5.884 8.730 ( 3.395 -9.661 2.453) 10.530 8.795 ( -0.512 1.671 1.246) 2.146 8.863 ( -1.413 4.204 -5.558) 7.110 8.934 ( -3.612 -2.051 -7.769) 8.809 9.168 ( 1.932 -1.647 -4.142) 4.858 9.202 ( -0.934 2.675 -6.524) 7.112 9.281 ( -1.273 -1.647 -0.732) 2.206 9.668 ( 6.919 -3.508 -7.274) 10.634 9.773 ( -2.815 9.029 3.937) 10.244 10.026 ( -4.714 2.128 1.016) 5.271 10.170 ( 9.222 4.945 -3.963) 11.190 10.263 ( 4.300 3.958 1.759) 6.104 10.474 ( -0.459 3.627 4.307) 5.649 10.568 ( 5.961 2.434 -0.135) 6.440 10.687 ( 3.208 0.986 -5.480) 6.426 10.904 ( -5.287 -0.898 -1.864) 5.678 11.060 ( 1.904 -6.281 -3.304) 7.348 11.157 ( -1.631 3.706 0.487) 4.078 11.500 ( -4.982 -4.934 2.282) 7.373 11.543 ( -7.040 -8.433 -0.666) 11.005 11.824 ( 3.572 3.071 -1.595) 4.973 12.144 ( 0.884 1.782 1.049) 2.249 12.692 ( 10.553 7.164 3.953) 13.354 12.796 ( -5.069 -3.588 -2.295) 6.620 13.025 ( -3.855 5.789 -3.008) 7.578 13.123 ( 7.053 1.227 -10.823) 12.976 13.526 ( -4.336 -9.349 -6.908) 12.407 13.651 ( -8.177 0.998 -0.563) 8.257 13.666 ( 1.732 -3.792 -2.564) 4.894 13.865 ( 3.019 2.567 -0.698) 4.024 14.153 ( 1.077 -1.275 1.044) 1.969 14.160 ( -0.644 -0.773 0.790) 1.279 14.199 ( 0.593 0.919 -3.666) 3.826 14.378 ( -0.999 -0.682 -0.921) 1.521 14.653 ( 0.453 0.146 2.615) 2.658 15.013 ( -9.270 -1.018 -1.193) 9.402 15.364 ( 13.006 6.238 1.296) 14.483 15.811 ( -1.259 -0.750 18.642) 18.700 15.969 ( 3.320 2.063 11.997) 12.618 16.618 ( -1.273 -1.665 12.294) 12.471 16.690 ( -7.131 -6.023 10.472) 14.028 16.916 ( -0.244 0.862 10.472) 10.510 17.349 ( 1.902 -2.611 -2.810) 4.282 17.438 ( -4.273 -1.152 4.223) 6.117 17.766 ( 1.512 1.936 1.178) 2.724 17.816 ( 1.970 2.052 -4.231) 5.098 ======================= Grid point 20 (15/50) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 0.000 -6.887) 6.887 1.495 ( -0.000 -0.000 -34.863) 34.863 1.611 ( 0.000 0.000 -24.953) 24.953 1.729 ( 0.000 0.000 -4.698) 4.698 2.270 ( 0.000 0.000 -0.803) 0.803 2.290 ( -0.000 0.000 1.056) 1.056 2.433 ( 0.000 0.000 -6.747) 6.747 2.439 ( 0.000 -0.000 -0.183) 0.183 2.522 ( 0.000 0.000 -0.204) 0.204 2.589 ( -0.000 -0.000 -9.093) 9.093 2.631 ( 0.000 -0.000 -0.063) 0.063 2.673 ( 0.000 0.000 -1.305) 1.305 2.765 ( -0.000 0.000 -8.200) 8.200 2.801 ( 0.000 -0.000 -9.887) 9.887 2.821 ( -0.000 0.000 -3.646) 3.646 2.883 ( 0.000 0.000 -1.005) 1.005 2.938 ( 0.000 0.000 0.945) 0.945 2.958 ( 0.000 0.000 -1.689) 1.689 3.039 ( 0.000 0.000 -0.210) 0.210 3.192 ( 0.000 0.000 -0.108) 0.108 3.271 ( 0.000 0.000 2.971) 2.971 3.420 ( 0.000 0.000 -0.589) 0.589 3.498 ( 0.000 0.000 3.827) 3.827 3.581 ( 0.000 0.000 0.942) 0.942 3.700 ( 0.000 0.000 -1.107) 1.107 3.788 ( 0.000 0.000 5.748) 5.748 3.847 ( 0.000 0.000 -1.754) 1.754 3.953 ( 0.000 0.000 1.523) 1.523 3.992 ( 0.000 0.000 0.914) 0.914 4.056 ( 0.000 0.000 2.899) 2.899 4.140 ( 0.000 0.000 -1.004) 1.004 4.163 ( 0.000 0.000 3.264) 3.264 4.361 ( 0.000 0.000 2.471) 2.471 4.460 ( 0.000 0.000 0.392) 0.392 4.617 ( 0.000 -0.000 1.885) 1.885 4.623 ( 0.000 0.000 -0.875) 0.875 4.794 ( 0.000 0.000 2.483) 2.483 4.831 ( 0.000 0.000 2.669) 2.669 4.877 ( 0.000 0.000 -0.053) 0.053 5.031 ( 0.000 0.000 -1.512) 1.512 5.081 ( 0.000 0.000 2.432) 2.432 5.142 ( 0.000 0.000 1.143) 1.143 5.206 ( 0.000 0.000 1.853) 1.853 5.255 ( -0.000 0.000 -0.581) 0.581 5.394 ( 0.000 0.000 1.710) 1.710 5.450 ( -0.000 0.000 -7.621) 7.621 5.576 ( 0.000 0.000 -3.867) 3.867 5.664 ( 0.000 0.000 0.863) 0.863 5.790 ( 0.000 0.000 -5.282) 5.282 5.894 ( 0.000 0.000 4.485) 4.485 5.905 ( -0.000 0.000 0.901) 0.901 6.479 ( 0.000 0.000 -4.957) 4.957 6.596 ( 0.000 0.000 1.064) 1.064 6.649 ( 0.000 0.000 -2.605) 2.605 6.728 ( 0.000 0.000 -2.487) 2.487 6.748 ( 0.000 0.000 -1.292) 1.292 6.803 ( 0.000 0.000 -5.859) 5.859 7.007 ( 0.000 0.000 0.349) 0.349 7.056 ( 0.000 0.000 0.160) 0.160 7.193 ( 0.000 0.000 -3.747) 3.747 7.304 ( 0.000 0.000 2.106) 2.106 7.621 ( 0.000 0.000 10.881) 10.881 7.898 ( 0.000 0.000 -1.792) 1.792 8.073 ( -0.000 -0.000 0.322) 0.322 8.109 ( 0.000 0.000 -3.603) 3.603 8.177 ( 0.000 0.000 -5.156) 5.156 8.488 ( 0.000 0.000 9.936) 9.936 8.529 ( 0.000 0.000 3.402) 3.402 8.677 ( 0.000 0.000 5.731) 5.731 8.755 ( -0.000 0.000 -3.904) 3.904 8.883 ( 0.000 0.000 -0.879) 0.879 8.933 ( 0.000 0.000 -9.990) 9.990 9.179 ( 0.000 0.000 -3.024) 3.024 9.225 ( 0.000 0.000 -5.666) 5.666 9.253 ( 0.000 -0.000 -5.183) 5.183 9.723 ( 0.000 -0.000 -4.350) 4.350 9.824 ( -0.000 0.000 4.704) 4.704 9.973 ( 0.000 0.000 -1.163) 1.163 10.318 ( 0.000 0.000 9.473) 9.473 10.474 ( 0.000 0.000 -0.081) 0.081 10.506 ( -0.000 -0.000 -10.401) 10.401 10.603 ( 0.000 -0.000 3.393) 3.393 10.762 ( 0.000 0.000 -10.785) 10.785 10.836 ( -0.000 -0.000 12.094) 12.094 11.057 ( -0.000 0.000 -11.756) 11.756 11.164 ( 0.000 0.000 -1.590) 1.590 11.219 ( 0.000 0.000 -1.987) 1.987 11.472 ( 0.000 0.000 3.410) 3.410 11.910 ( 0.000 0.000 -0.816) 0.816 12.157 ( 0.000 0.000 0.133) 0.133 12.689 ( 0.000 0.000 -5.037) 5.037 12.918 ( 0.000 0.000 8.646) 8.646 13.038 ( 0.000 0.000 -1.885) 1.885 13.204 ( 0.000 0.000 -12.959) 12.959 13.351 ( 0.000 0.000 -10.401) 10.401 13.586 ( 0.000 0.000 -0.371) 0.371 13.646 ( 0.000 0.000 0.468) 0.468 13.998 ( -0.000 -0.000 -1.565) 1.565 14.020 ( 0.000 0.000 -5.262) 5.262 14.150 ( -0.000 0.000 0.317) 0.317 14.151 ( 0.000 -0.000 1.293) 1.293 14.517 ( 0.000 0.000 1.366) 1.366 14.650 ( 0.000 0.000 3.776) 3.776 14.863 ( 0.000 0.000 -3.663) 3.663 15.660 ( 0.000 0.000 1.266) 1.266 15.735 ( -0.000 -0.000 8.697) 8.697 16.003 ( 0.000 0.000 12.997) 12.997 16.553 ( 0.000 0.000 17.362) 17.362 16.592 ( 0.000 0.000 16.063) 16.063 16.920 ( 0.000 0.000 10.175) 10.175 17.347 ( 0.000 0.000 2.205) 2.205 17.385 ( 0.000 0.000 4.306) 4.306 17.801 ( 0.000 0.000 1.336) 1.336 17.852 ( 0.000 0.000 -5.276) 5.276 ======================= Grid point 23 (16/50) ======================= q-point: ( 0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 3.651 19.740 14.919) 25.011 1.048 ( -2.526 45.435 8.961) 46.379 1.147 ( -0.017 7.766 48.789) 49.403 2.038 ( -0.336 -5.255 13.731) 14.706 2.074 ( -0.458 -0.663 1.343) 1.566 2.314 ( 2.338 -7.860 12.025) 14.555 2.357 ( 0.811 -8.082 1.661) 8.291 2.439 ( -0.616 -0.524 0.554) 0.980 2.473 ( -2.755 3.998 7.807) 9.194 2.605 ( 1.169 -4.435 0.778) 4.652 2.655 ( 0.990 6.699 6.842) 9.626 2.692 ( 1.176 5.058 0.981) 5.285 2.754 ( -4.434 -5.622 0.618) 7.186 2.864 ( 1.058 -0.463 1.017) 1.539 2.874 ( -1.515 -2.046 0.473) 2.589 2.926 ( 0.468 -7.942 6.640) 10.363 3.002 ( 4.035 2.615 -0.098) 4.810 3.114 ( -1.312 4.408 0.191) 4.603 3.187 ( -4.158 -1.662 3.271) 5.545 3.198 ( 3.998 -2.073 4.672) 6.489 3.427 ( -1.749 -4.614 -1.815) 5.257 3.484 ( 2.435 1.520 -1.737) 3.356 3.529 ( -2.100 4.856 -0.149) 5.292 3.556 ( 0.788 1.361 -2.035) 2.572 3.671 ( -0.490 1.339 -5.504) 5.686 3.863 ( 1.669 -2.903 -2.304) 4.065 3.902 ( -0.538 -0.117 -0.624) 0.832 3.989 ( 1.140 -1.055 2.394) 2.853 4.021 ( 3.023 -4.146 -1.657) 5.392 4.068 ( -2.021 -3.037 -1.475) 3.935 4.198 ( -0.236 -1.928 -2.530) 3.190 4.224 ( -2.987 0.826 -2.985) 4.303 4.343 ( 1.624 0.276 -2.105) 2.673 4.347 ( -7.825 -4.074 -1.003) 8.879 4.407 ( 6.144 -0.540 -0.962) 6.243 4.623 ( 0.652 2.252 -1.371) 2.716 4.724 ( 0.102 3.100 2.489) 3.977 4.853 ( -0.493 -3.758 -3.404) 5.095 4.920 ( 4.349 -1.427 -4.694) 6.556 4.995 ( -5.268 2.450 -4.295) 7.225 5.073 ( 0.881 4.541 -2.232) 5.136 5.257 ( 1.998 -6.943 3.433) 7.999 5.317 ( -0.521 -1.614 8.564) 8.731 5.336 ( -1.301 -1.566 -0.111) 2.039 5.350 ( -0.579 -1.927 -2.502) 3.211 5.451 ( 1.647 -0.524 2.056) 2.686 5.610 ( -1.061 1.276 -1.645) 2.337 5.679 ( 4.538 -2.222 -1.654) 5.316 5.736 ( -4.293 1.944 -0.920) 4.801 5.752 ( -0.759 5.245 4.760) 7.123 5.950 ( 0.618 1.508 -2.806) 3.244 6.450 ( -0.047 3.820 -0.248) 3.828 6.678 ( -0.947 -8.785 8.067) 11.965 6.705 ( 0.741 -3.313 4.458) 5.604 6.777 ( -0.163 -3.272 -0.804) 3.373 6.800 ( 1.572 -0.271 -0.569) 1.694 6.901 ( -0.525 1.368 1.102) 1.833 6.986 ( -0.697 -7.337 5.766) 9.358 7.133 ( 0.714 -2.378 -0.380) 2.512 7.203 ( -0.438 0.102 -0.150) 0.474 7.382 ( -2.337 2.152 -0.519) 3.219 7.398 ( 2.702 6.549 -5.766) 9.134 7.581 ( -0.616 4.395 3.885) 5.898 8.023 ( 0.292 -8.914 0.537) 8.935 8.245 ( -0.117 -0.543 -2.037) 2.111 8.337 ( 1.863 -2.050 1.307) 3.063 8.509 ( 0.762 4.743 -10.603) 11.640 8.647 ( -2.922 -1.483 -3.045) 4.473 8.716 ( -2.176 -2.612 0.648) 3.461 8.821 ( -0.044 2.747 4.323) 5.122 8.851 ( 0.524 1.800 -0.736) 2.014 8.996 ( 1.380 -2.427 6.002) 6.620 9.142 ( -1.542 -1.221 4.353) 4.776 9.201 ( 1.239 2.273 5.445) 6.029 9.317 ( -0.072 -4.528 0.345) 4.542 9.598 ( -2.317 -2.460 0.524) 3.420 9.771 ( 3.278 8.249 1.219) 8.959 10.030 ( 3.887 1.685 1.766) 4.589 10.092 ( -2.486 4.140 2.323) 5.359 10.227 ( -0.741 3.012 -1.037) 3.270 10.467 ( 2.317 1.401 -4.835) 5.541 10.515 ( -1.847 5.144 -1.431) 5.650 10.661 ( -0.756 2.441 6.552) 7.033 10.937 ( 1.629 -3.950 3.374) 5.444 11.080 ( -3.894 -2.511 0.494) 4.660 11.159 ( 2.612 3.887 0.147) 4.685 11.532 ( 0.010 -3.996 -2.973) 4.981 11.645 ( -0.786 -12.638 0.681) 12.680 11.790 ( -0.065 3.525 2.127) 4.117 12.138 ( 0.387 5.630 -2.455) 6.154 12.573 ( -0.485 11.154 -4.290) 11.960 12.890 ( -3.330 -1.550 -3.483) 5.063 12.956 ( 7.254 -3.342 14.000) 16.118 13.085 ( -2.731 5.454 7.836) 9.930 13.591 ( -2.943 -11.691 3.161) 12.463 13.626 ( 1.918 -2.163 4.704) 5.521 13.786 ( 1.914 0.047 0.609) 2.009 13.838 ( -1.593 3.232 -0.737) 3.678 14.101 ( -1.167 2.557 3.471) 4.466 14.165 ( 0.427 0.172 -1.086) 1.180 14.172 ( 0.286 -0.121 0.019) 0.311 14.422 ( -0.258 -8.096 3.181) 8.702 14.645 ( -0.156 1.020 -3.266) 3.425 15.096 ( 7.369 -3.322 -1.198) 8.172 15.248 ( -6.608 10.452 -0.846) 12.395 15.831 ( 0.332 0.182 -21.685) 21.688 15.942 ( -0.698 4.760 -13.775) 14.591 16.631 ( -0.153 -0.853 -10.925) 10.959 16.774 ( 0.191 -10.481 -7.283) 12.765 16.898 ( 0.714 -1.275 -10.377) 10.479 17.350 ( -1.430 -3.373 6.057) 7.079 17.492 ( 0.666 -0.764 -2.068) 2.303 17.700 ( 0.351 -1.727 -0.761) 1.919 17.824 ( 0.008 6.721 2.374) 7.128 ======================= Grid point 24 (17/50) ======================= q-point: ( 0.18 -0.07 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 11.686 21.109 7.091) 25.148 1.392 ( 5.306 12.268 36.701) 39.059 1.778 ( -10.998 -7.707 21.285) 25.168 1.787 ( -4.707 -5.929 4.829) 8.979 2.064 ( 8.015 26.270 1.532) 27.508 2.267 ( 3.241 -0.821 1.617) 3.714 2.372 ( 12.444 -4.119 10.019) 16.499 2.441 ( 1.168 0.112 1.610) 1.992 2.458 ( -1.493 -1.101 5.270) 5.587 2.543 ( 1.869 -6.040 1.570) 6.514 2.566 ( 4.713 -7.204 0.787) 8.645 2.728 ( -1.711 -2.530 -0.859) 3.173 2.781 ( 0.786 -0.671 5.765) 5.857 2.791 ( 0.189 1.011 8.235) 8.299 2.847 ( 1.245 -0.160 1.583) 2.021 2.954 ( -10.677 1.030 5.225) 11.932 2.956 ( -0.239 2.669 0.998) 2.859 3.050 ( -3.671 -0.597 -0.089) 3.720 3.169 ( -7.731 -8.897 -0.140) 11.788 3.196 ( -3.864 5.757 -0.573) 6.957 3.334 ( 6.749 -3.794 1.561) 7.898 3.419 ( -12.309 -3.935 -3.570) 13.407 3.507 ( -0.688 0.465 -3.489) 3.586 3.628 ( -3.576 5.311 -0.781) 6.450 3.728 ( 2.269 2.356 -3.394) 4.714 3.759 ( -5.054 -1.713 -1.005) 5.430 3.873 ( -2.127 0.661 0.748) 2.349 3.932 ( 1.341 -0.171 -2.280) 2.651 3.999 ( -0.425 0.263 1.190) 1.291 4.023 ( 3.596 -1.826 -2.543) 4.768 4.135 ( 1.968 0.491 -3.713) 4.231 4.168 ( -2.763 -1.237 0.727) 3.113 4.306 ( 4.773 -0.227 -0.520) 4.807 4.452 ( 2.049 0.951 -2.943) 3.710 4.551 ( 8.698 0.313 -0.948) 8.755 4.620 ( 0.520 -3.179 0.299) 3.235 4.770 ( -0.457 -1.285 -1.642) 2.135 4.810 ( 1.157 -0.924 -0.207) 1.495 4.893 ( -0.863 -1.681 -2.533) 3.160 5.037 ( 3.413 -2.204 -5.045) 6.477 5.057 ( -0.011 -2.484 -1.602) 2.956 5.151 ( -4.178 -2.987 6.418) 8.220 5.195 ( 1.691 -2.633 -1.723) 3.572 5.300 ( -2.377 2.232 0.712) 3.338 5.394 ( 0.785 -0.641 -2.096) 2.328 5.415 ( 2.306 -5.694 7.720) 9.866 5.589 ( -1.659 -1.848 0.007) 2.483 5.682 ( -2.284 2.542 -0.270) 3.429 5.769 ( 6.598 -0.905 -2.781) 7.217 5.831 ( -2.093 5.446 5.618) 8.099 5.967 ( -1.949 0.533 -2.268) 3.037 6.504 ( -2.447 0.658 5.515) 6.069 6.586 ( 0.867 4.718 0.488) 4.822 6.664 ( -1.895 -0.026 3.153) 3.679 6.741 ( 2.676 -1.857 0.241) 3.266 6.794 ( -5.076 -1.628 0.402) 5.346 6.830 ( -5.154 -2.300 6.202) 8.386 6.942 ( 5.057 2.561 -1.464) 5.855 7.081 ( -1.091 -3.823 1.945) 4.426 7.240 ( -1.079 -0.112 1.845) 2.140 7.280 ( -1.580 0.912 -1.245) 2.209 7.581 ( 4.804 -0.510 -9.126) 10.326 7.799 ( 10.188 1.527 1.845) 10.466 7.938 ( 5.280 0.144 6.033) 8.019 8.158 ( -5.159 -0.920 -2.405) 5.766 8.283 ( -2.091 -7.960 1.978) 8.464 8.507 ( -3.313 -5.865 -2.938) 7.349 8.582 ( -4.024 4.743 -4.653) 7.767 8.617 ( 3.970 0.548 -5.069) 6.462 8.752 ( -0.900 -4.643 -1.413) 4.936 8.931 ( 0.222 3.120 8.194) 8.771 8.966 ( -6.257 3.227 3.219) 7.741 9.152 ( 2.523 -0.380 2.646) 3.675 9.237 ( -0.363 1.256 5.309) 5.468 9.259 ( -0.784 -0.543 4.210) 4.317 9.630 ( 4.965 0.243 3.735) 6.218 9.856 ( 1.730 -1.449 -2.044) 3.045 10.052 ( -8.952 0.543 -1.260) 9.057 10.242 ( 7.851 3.926 -3.599) 9.487 10.383 ( 6.521 6.203 2.215) 9.269 10.513 ( 1.958 -8.162 -0.356) 8.401 10.591 ( 0.109 7.505 0.120) 7.507 10.709 ( 2.470 1.855 3.827) 4.918 10.906 ( -2.583 0.331 -0.134) 2.608 11.017 ( 0.193 2.677 7.547) 8.010 11.217 ( -3.912 2.830 0.472) 4.852 11.307 ( -6.388 -10.628 3.263) 12.822 11.468 ( 0.285 -2.774 -3.360) 4.367 11.906 ( -0.220 6.066 1.356) 6.219 12.206 ( -3.956 4.739 -0.991) 6.252 12.651 ( 2.869 -5.528 3.585) 7.187 12.867 ( 3.790 3.137 -5.727) 7.550 13.079 ( -2.137 -1.865 3.703) 4.664 13.125 ( 6.787 0.547 10.093) 12.175 13.377 ( -2.481 -3.964 7.228) 8.609 13.640 ( 0.136 1.225 0.613) 1.377 13.651 ( -5.518 -2.737 1.440) 6.326 13.919 ( 4.021 2.492 3.790) 6.062 14.067 ( -0.966 -7.020 3.925) 8.101 14.146 ( -0.389 -0.335 -0.961) 1.089 14.167 ( -0.674 -0.571 0.574) 1.053 14.432 ( 5.839 2.707 0.833) 6.489 14.647 ( 0.330 -0.155 -4.444) 4.459 14.992 ( -9.657 -1.581 0.325) 9.791 15.528 ( 8.747 11.475 -0.277) 14.431 15.806 ( -3.965 -0.515 -10.772) 11.490 16.029 ( -2.281 4.773 -13.508) 14.507 16.569 ( -1.268 -3.140 -16.615) 16.956 16.614 ( -1.957 -2.183 -14.890) 15.175 16.888 ( 3.254 -4.179 -9.767) 11.111 17.306 ( 1.181 -0.669 -2.548) 2.887 17.455 ( -4.400 1.789 -3.484) 5.891 17.724 ( 5.457 -3.935 0.128) 6.729 17.904 ( -2.771 4.798 3.604) 6.610 ======================= Grid point 25 (18/50) ======================= q-point: ( 0.18 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -19.270 -13.555 7.685) 24.782 1.394 ( -12.301 -5.344 36.954) 39.313 1.774 ( 7.287 11.734 21.597) 25.636 1.897 ( 9.610 12.254 3.538) 15.969 2.070 ( -35.790 -14.446 1.602) 38.629 2.228 ( 4.245 -4.319 1.181) 6.170 2.307 ( 3.387 -9.498 9.619) 13.936 2.401 ( 3.129 -2.403 0.785) 4.023 2.508 ( 1.643 -1.092 0.395) 2.012 2.569 ( 4.867 -2.500 9.771) 11.199 2.641 ( 9.924 -2.178 0.095) 10.161 2.728 ( 0.622 0.799 2.814) 2.991 2.753 ( -3.022 0.070 4.704) 5.591 2.782 ( 0.063 0.671 6.004) 6.042 2.891 ( 2.172 -4.475 0.443) 4.994 2.934 ( -5.459 2.446 0.464) 6.000 2.983 ( -0.188 7.130 2.194) 7.462 2.985 ( -4.116 8.132 4.476) 10.154 3.143 ( 8.273 3.714 -0.495) 9.082 3.269 ( 4.950 9.258 -2.740) 10.851 3.316 ( 1.517 -2.208 -0.395) 2.708 3.345 ( 1.992 5.150 -0.187) 5.525 3.535 ( -2.306 1.549 -2.646) 3.837 3.606 ( 0.941 -0.349 -3.220) 3.373 3.665 ( -5.198 -0.434 1.050) 5.321 3.810 ( -1.039 1.268 -3.417) 3.790 3.863 ( 0.522 0.874 0.770) 1.276 3.949 ( -0.183 0.619 -1.627) 1.750 4.002 ( -0.798 0.759 -0.459) 1.194 4.050 ( 0.913 -0.996 -2.199) 2.581 4.134 ( 1.335 0.099 0.332) 1.380 4.180 ( 0.232 2.459 -2.976) 3.867 4.362 ( 2.003 -0.841 -2.172) 3.072 4.405 ( -2.432 -4.262 -0.673) 4.953 4.588 ( 1.400 -11.873 -0.959) 11.993 4.593 ( 1.083 -0.451 -0.318) 1.215 4.763 ( 0.644 1.332 -3.874) 4.147 4.844 ( 3.692 0.573 -1.738) 4.121 4.861 ( -2.357 -0.953 -0.039) 2.542 4.982 ( 5.670 -3.511 -2.956) 7.295 5.059 ( 3.366 1.772 5.491) 6.679 5.138 ( 1.782 -1.233 -2.904) 3.623 5.258 ( 1.415 3.802 -1.075) 4.197 5.301 ( -2.926 2.823 0.457) 4.092 5.380 ( 5.571 -6.037 5.557) 9.918 5.396 ( 1.363 0.532 0.925) 1.732 5.565 ( 2.171 -0.029 1.348) 2.556 5.680 ( -3.077 1.111 -1.612) 3.647 5.821 ( -0.844 -0.807 0.280) 1.201 5.863 ( -1.849 -0.749 1.463) 2.474 5.933 ( -1.612 2.527 -1.492) 3.348 6.535 ( -0.064 4.896 4.807) 6.862 6.573 ( -5.054 -1.634 0.430) 5.329 6.638 ( -0.297 -0.616 3.860) 3.920 6.719 ( 2.189 -0.348 2.484) 3.329 6.778 ( 1.345 1.955 -0.629) 2.455 6.853 ( 1.773 4.665 5.530) 7.449 6.964 ( -2.280 -2.855 1.146) 3.829 7.075 ( 3.820 0.594 -1.012) 3.996 7.196 ( 0.532 -0.039 2.582) 2.637 7.328 ( -1.216 3.382 -1.613) 3.939 7.560 ( 0.624 -6.389 -8.569) 10.707 7.870 ( -2.445 -6.535 -0.596) 7.003 7.884 ( 0.647 -8.806 5.790) 10.559 8.181 ( -0.599 8.186 -0.586) 8.228 8.205 ( 6.794 -0.652 3.301) 7.581 8.471 ( 5.661 -0.774 -6.576) 8.712 8.652 ( -3.846 6.749 -4.116) 8.791 8.722 ( 6.704 -2.616 3.454) 7.983 8.762 ( 3.014 6.453 -5.556) 9.033 8.858 ( -6.255 -1.514 0.852) 6.492 8.959 ( -3.169 3.202 6.446) 7.864 9.165 ( 1.653 -1.345 4.914) 5.356 9.213 ( -1.947 -0.749 6.101) 6.448 9.276 ( -0.187 1.452 2.528) 2.921 9.699 ( 3.823 -6.485 -4.689) 8.869 9.817 ( -6.689 1.921 3.399) 7.745 9.933 ( 2.730 0.003 2.418) 3.647 10.305 ( -4.220 -9.414 6.163) 12.017 10.337 ( -2.407 0.286 -6.888) 7.302 10.482 ( -0.060 -2.674 -3.744) 4.601 10.655 ( -2.139 -1.204 6.438) 6.890 10.766 ( -4.798 0.435 8.757) 9.995 10.817 ( 1.632 -0.595 -6.183) 6.422 11.086 ( -0.463 2.964 3.731) 4.787 11.179 ( -4.939 2.499 1.952) 5.870 11.317 ( 11.166 6.595 3.232) 13.365 11.470 ( 3.092 -0.166 -3.188) 4.444 11.912 ( -5.892 0.317 1.231) 6.027 12.196 ( -4.944 3.647 -0.694) 6.183 12.684 ( 6.691 -0.890 1.428) 6.899 12.890 ( -8.027 -4.557 3.697) 9.943 12.942 ( 4.123 -4.342 -4.926) 7.753 13.181 ( 0.289 -1.784 10.203) 10.361 13.432 ( 5.037 4.721 8.783) 11.172 13.554 ( 1.753 -1.901 2.069) 3.312 13.709 ( -1.170 5.633 0.149) 5.755 13.922 ( -3.015 -3.395 3.089) 5.491 14.082 ( 9.133 0.757 5.345) 10.609 14.151 ( 0.557 0.292 -0.565) 0.845 14.166 ( -0.084 1.100 -0.049) 1.104 14.433 ( -3.150 -6.241 -2.473) 7.415 14.653 ( -0.088 -0.345 -3.682) 3.700 14.919 ( 0.201 6.139 2.031) 6.469 15.591 ( -11.212 -5.875 -1.281) 12.723 15.796 ( 1.290 4.120 -11.151) 11.958 16.043 ( -4.703 3.314 -11.814) 13.140 16.544 ( 4.826 0.285 -17.962) 18.601 16.623 ( 0.712 2.190 -14.067) 14.254 16.877 ( 3.976 -3.736 -10.614) 11.934 17.352 ( 2.859 -0.995 -4.378) 5.323 17.422 ( -3.611 4.760 -0.874) 6.038 17.723 ( 3.850 -5.551 -0.371) 6.765 17.901 ( -4.859 2.688 3.652) 6.646 ======================= Grid point 27 (19/50) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.486 11.989 14.333) 18.851 2.058 ( -4.687 18.200 6.433) 19.865 2.181 ( 0.400 7.448 2.648) 7.915 2.295 ( 3.325 -8.919 4.440) 10.503 2.338 ( 0.299 0.140 -4.133) 4.147 2.450 ( -0.717 2.372 0.781) 2.598 2.556 ( -2.063 -7.454 8.337) 11.372 2.594 ( -1.975 -1.085 -0.106) 2.256 2.677 ( 0.130 -6.268 11.333) 12.951 2.836 ( 0.517 -0.907 2.465) 2.677 2.867 ( -0.346 -2.276 4.736) 5.266 2.876 ( -0.188 -0.370 8.497) 8.507 2.919 ( 0.620 -0.507 0.586) 0.992 2.987 ( 2.668 -4.119 -2.790) 5.645 3.109 ( -0.465 2.777 7.931) 8.416 3.132 ( 2.966 -1.801 0.907) 3.587 3.191 ( -1.164 3.815 -1.260) 4.183 3.257 ( -0.263 2.494 4.304) 4.981 3.297 ( -0.580 2.219 0.081) 2.295 3.402 ( -0.735 -0.432 20.541) 20.559 3.455 ( 0.246 0.906 8.780) 8.830 3.484 ( -0.615 -0.825 8.284) 8.347 3.491 ( -1.454 -3.144 16.199) 16.565 3.523 ( 2.511 -2.965 3.537) 5.254 3.689 ( -2.803 0.024 0.211) 2.811 3.780 ( 7.762 -2.098 -1.324) 8.149 3.803 ( -2.739 -0.817 -0.011) 2.859 3.884 ( 1.025 1.650 -0.880) 2.132 3.912 ( -2.255 -0.069 -0.326) 2.279 4.030 ( -0.915 1.068 -1.075) 1.770 4.129 ( -2.529 -0.959 2.326) 3.567 4.209 ( 0.413 3.139 -1.338) 3.437 4.227 ( -0.103 -2.356 0.360) 2.386 4.246 ( 0.671 -2.255 -1.334) 2.704 4.418 ( 0.102 0.715 2.842) 2.933 4.606 ( 0.439 1.344 -1.938) 2.399 4.763 ( 3.083 0.144 -2.221) 3.803 4.786 ( -1.055 -4.350 -0.391) 4.493 4.842 ( 0.232 -0.391 1.485) 1.553 4.892 ( -3.012 -1.153 2.153) 3.878 5.029 ( -0.214 -3.605 -0.609) 3.662 5.082 ( -0.031 0.247 -2.058) 2.073 5.202 ( 2.946 -0.056 -5.490) 6.231 5.220 ( -1.353 -1.157 -6.112) 6.366 5.307 ( -1.823 -1.103 -13.341) 13.510 5.322 ( 1.721 -1.816 -12.472) 12.721 5.585 ( -0.491 -0.640 3.752) 3.837 5.592 ( -0.788 -0.086 -14.885) 14.906 5.666 ( 0.253 0.709 -0.380) 0.843 5.684 ( 1.228 -1.955 3.825) 4.468 6.201 ( -0.634 7.663 7.932) 11.047 6.541 ( -0.286 4.536 0.784) 4.612 6.643 ( 0.323 -1.257 -1.223) 1.783 6.665 ( 1.148 -1.160 -1.655) 2.325 6.725 ( -0.853 0.330 -2.737) 2.886 6.868 ( -1.753 -1.380 -0.274) 2.248 6.922 ( 0.095 -2.315 3.128) 3.893 7.038 ( 2.968 -1.346 -2.752) 4.266 7.072 ( -1.917 0.458 -0.744) 2.107 7.250 ( 2.592 0.955 0.170) 2.768 7.309 ( -2.995 0.566 -0.554) 3.098 7.521 ( 0.415 -0.836 8.068) 8.122 7.748 ( 0.555 2.650 -1.265) 2.988 7.988 ( 4.848 1.734 -0.085) 5.150 8.192 ( -0.703 -0.831 0.703) 1.296 8.251 ( -2.723 -1.357 0.430) 3.073 8.503 ( -2.160 -3.895 -3.014) 5.378 8.582 ( -6.784 3.091 1.237) 7.557 8.634 ( 5.773 -1.486 6.235) 8.626 8.801 ( -7.432 -2.215 -0.530) 7.773 8.987 ( 9.338 -0.443 -0.936) 9.396 9.151 ( -0.118 -7.070 4.657) 8.466 9.267 ( 0.776 3.725 5.209) 6.451 9.433 ( 1.318 0.921 2.023) 2.584 9.467 ( -1.605 0.235 6.685) 6.879 9.670 ( -2.894 -2.640 -3.694) 5.385 9.863 ( 2.857 -2.426 4.830) 6.114 9.874 ( 3.302 -0.190 -8.153) 8.798 9.981 ( -4.671 -0.473 -3.274) 5.724 10.282 ( 2.380 5.904 4.834) 7.993 10.357 ( -0.204 5.653 -5.886) 8.164 10.524 ( 2.850 8.936 0.874) 9.420 10.895 ( 1.942 -5.884 1.164) 6.304 11.030 ( -6.558 -5.415 1.449) 8.627 11.316 ( -0.221 -0.768 2.404) 2.534 11.394 ( -2.690 9.915 -5.208) 11.518 11.478 ( 0.117 6.903 2.463) 7.330 11.713 ( 0.792 -0.146 14.636) 14.658 11.942 ( -1.142 6.214 2.515) 6.801 12.025 ( 2.802 0.046 -0.207) 2.810 12.551 ( 1.773 6.638 -3.258) 7.604 12.748 ( -0.867 -7.166 -4.753) 8.643 13.195 ( 4.092 -7.442 -4.931) 9.820 13.289 ( -2.468 -0.914 -1.368) 2.966 13.410 ( -1.852 -2.205 -5.753) 6.433 13.741 ( 3.449 -0.333 -0.804) 3.558 13.873 ( -6.250 -3.590 5.259) 8.923 13.973 ( -0.242 4.189 4.361) 6.052 14.080 ( -0.489 -0.299 -4.630) 4.666 14.101 ( 0.827 1.599 -2.826) 3.350 14.333 ( -0.310 0.022 -2.304) 2.325 14.378 ( 6.237 3.275 0.831) 7.094 14.456 ( -2.373 0.578 -0.188) 2.449 14.851 ( -0.133 -4.159 -10.985) 11.747 15.187 ( -0.763 6.102 4.570) 7.662 15.280 ( 0.820 7.726 -5.971) 9.799 15.688 ( -2.428 6.087 0.770) 6.599 15.839 ( 1.414 -8.801 -16.533) 18.783 16.175 ( -1.262 -6.408 -14.458) 15.865 16.252 ( 1.569 -3.637 -17.222) 17.672 17.259 ( 1.094 -0.879 -0.421) 1.465 17.550 ( -4.251 -3.514 2.972) 6.265 17.622 ( 3.022 -3.584 -0.098) 4.689 18.216 ( 0.098 2.094 8.327) 8.586 ======================= Grid point 28 (20/50) ======================= q-point: ( 0.42 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -12.004 -6.151 9.033) 16.234 1.945 ( 10.938 10.843 9.000) 17.838 2.203 ( 0.122 -3.747 -0.357) 3.766 2.368 ( 2.972 -1.807 -3.079) 4.645 2.383 ( -0.304 -6.734 3.291) 7.502 2.455 ( 4.610 -0.820 0.719) 4.737 2.488 ( 3.217 -1.383 -1.270) 3.725 2.603 ( 5.285 -2.619 0.918) 5.969 2.650 ( -0.402 0.733 13.349) 13.375 2.840 ( -1.080 3.279 1.077) 3.617 2.854 ( -0.426 2.400 8.374) 8.721 2.884 ( -2.278 -0.581 4.545) 5.117 2.905 ( -1.386 -0.612 5.594) 5.796 2.994 ( -2.308 2.413 2.244) 4.023 3.104 ( -7.701 3.074 1.201) 8.379 3.167 ( -0.961 4.842 -0.160) 4.939 3.197 ( -3.613 3.119 -0.226) 4.778 3.217 ( -1.774 3.244 4.263) 5.643 3.301 ( -3.305 -3.322 -0.615) 4.726 3.363 ( -1.179 -1.112 17.491) 17.566 3.389 ( 1.393 2.695 16.293) 16.574 3.420 ( 0.289 -1.464 16.899) 16.965 3.473 ( 2.398 -2.154 12.619) 13.024 3.587 ( -2.471 6.422 1.179) 6.981 3.667 ( -0.696 1.282 -1.344) 1.984 3.730 ( 0.687 -2.554 -2.901) 3.925 3.824 ( -0.397 -3.221 -1.032) 3.405 3.882 ( 0.467 1.977 1.203) 2.361 3.947 ( 0.273 0.223 -0.392) 0.527 4.061 ( -1.620 2.166 4.297) 5.078 4.125 ( 2.454 0.712 0.829) 2.687 4.159 ( 1.554 -2.178 -3.930) 4.754 4.211 ( 1.720 -2.452 2.588) 3.959 4.287 ( 3.577 -3.561 -0.516) 5.074 4.518 ( 1.539 -4.424 -0.811) 4.754 4.578 ( 3.036 0.499 -3.838) 4.918 4.652 ( 0.451 -2.793 4.790) 5.563 4.800 ( -2.013 -0.948 3.001) 3.736 4.832 ( 0.186 2.308 -3.806) 4.455 4.906 ( 3.214 -1.451 1.021) 3.671 4.984 ( 1.674 -1.275 0.268) 2.121 5.077 ( 0.989 -0.437 -2.725) 2.932 5.144 ( -2.755 0.760 -5.359) 6.073 5.229 ( 0.082 0.061 -7.360) 7.360 5.298 ( 1.271 -0.875 -6.382) 6.565 5.330 ( 3.148 -3.707 -14.340) 15.142 5.576 ( 0.373 0.833 -3.177) 3.305 5.595 ( -0.593 -0.445 -6.411) 6.454 5.657 ( 3.064 -2.677 2.688) 4.877 5.684 ( -1.298 0.743 -1.137) 1.879 6.282 ( -5.877 6.268 7.339) 11.300 6.593 ( -0.357 2.808 0.381) 2.856 6.629 ( -3.457 0.367 -0.470) 3.508 6.652 ( -0.460 -0.345 -1.249) 1.376 6.731 ( 0.852 -0.180 -3.681) 3.782 6.851 ( 1.493 1.992 -0.565) 2.552 6.895 ( 0.862 -2.071 1.541) 2.721 7.004 ( 1.047 -3.164 -2.318) 4.059 7.089 ( -0.725 1.709 2.037) 2.756 7.250 ( -2.054 0.331 -3.115) 3.746 7.319 ( 2.640 -0.457 1.537) 3.088 7.520 ( -1.338 1.110 6.754) 6.974 7.791 ( 0.699 -1.382 -0.931) 1.807 8.030 ( -5.128 -4.297 -2.544) 7.157 8.172 ( 1.615 2.237 -1.419) 3.103 8.278 ( 4.957 7.114 7.397) 11.397 8.361 ( -1.782 -5.584 0.639) 5.896 8.579 ( -1.315 3.356 -3.061) 4.729 8.638 ( 3.981 -4.783 4.778) 7.846 8.801 ( 8.387 -0.470 6.640) 10.707 8.982 ( -5.108 -0.439 -0.098) 5.128 9.089 ( -1.184 -1.509 -0.100) 1.921 9.351 ( 1.895 -3.590 3.448) 5.326 9.428 ( 1.225 1.241 7.127) 7.338 9.475 ( -0.348 -0.003 3.777) 3.794 9.632 ( 0.711 -0.468 -8.643) 8.685 9.817 ( 0.012 -3.579 10.257) 10.864 9.895 ( -0.184 -0.900 -12.712) 12.745 9.946 ( 4.937 -0.598 -2.780) 5.698 10.370 ( -1.813 1.423 -0.087) 2.307 10.402 ( -1.725 0.645 3.446) 3.908 10.671 ( -11.556 2.879 -2.135) 12.099 10.797 ( 1.150 1.229 -1.023) 1.970 10.951 ( 4.200 3.827 -3.787) 6.829 11.306 ( 3.777 -4.691 0.701) 6.064 11.487 ( -3.794 5.403 4.345) 7.904 11.537 ( 5.572 -3.742 6.140) 9.096 11.806 ( -6.329 7.067 12.545) 15.728 11.958 ( -6.971 3.482 -2.583) 8.210 12.050 ( -7.101 7.782 0.333) 10.540 12.593 ( 2.414 -5.659 -3.100) 6.889 12.689 ( 3.993 -2.689 -2.506) 5.428 13.085 ( -0.287 -0.585 -4.753) 4.798 13.325 ( 0.095 -3.737 -4.802) 6.085 13.358 ( 4.761 0.615 -4.225) 6.395 13.703 ( -5.017 2.913 0.342) 5.812 13.870 ( 4.745 -0.736 4.219) 6.392 14.013 ( -0.408 0.461 -0.629) 0.880 14.079 ( -0.106 0.414 -3.160) 3.189 14.149 ( -0.074 0.526 -2.191) 2.254 14.312 ( -2.057 1.719 3.100) 4.098 14.395 ( -3.467 -0.560 1.450) 3.799 14.483 ( 3.098 -2.539 -0.680) 4.063 14.796 ( 1.361 -1.022 -10.854) 10.987 15.233 ( -6.216 6.334 2.530) 9.228 15.431 ( -1.363 1.014 -9.461) 9.613 15.672 ( 4.317 -2.794 -15.139) 15.988 15.897 ( 2.043 2.000 -3.995) 4.913 15.950 ( -2.596 -1.734 -10.163) 10.632 16.244 ( 5.556 -5.959 -15.603) 17.602 17.258 ( -0.272 -1.081 0.279) 1.149 17.470 ( -1.176 4.009 3.375) 5.371 17.619 ( 3.490 -4.834 -0.127) 5.963 18.238 ( -1.698 1.617 7.294) 7.662 ======================= Grid point 31 (21/50) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -10.866 7.076 17.124) 21.480 1.736 ( -17.122 20.803 11.769) 29.402 2.154 ( 1.781 -1.251 3.663) 4.260 2.343 ( -2.062 1.409 -1.436) 2.881 2.406 ( 0.981 -2.853 -0.265) 3.028 2.428 ( 0.122 0.908 -0.914) 1.294 2.590 ( 4.656 -2.193 -0.389) 5.161 2.610 ( 0.934 -0.231 16.755) 16.782 2.800 ( 3.666 -4.493 5.308) 7.861 2.844 ( 1.207 1.629 1.448) 2.491 2.851 ( 0.894 -0.976 7.710) 7.823 2.942 ( 2.689 1.363 5.346) 6.137 2.968 ( -3.907 -2.079 3.008) 5.351 3.016 ( -3.452 -4.257 2.916) 6.208 3.045 ( 2.084 1.551 1.724) 3.118 3.093 ( 2.034 -0.594 -0.593) 2.200 3.148 ( -2.889 0.327 0.856) 3.031 3.228 ( 1.636 -2.957 1.316) 3.626 3.372 ( 4.421 1.225 0.322) 4.599 3.400 ( -0.240 -0.000 11.136) 11.139 3.408 ( 0.310 -1.137 7.195) 7.291 3.450 ( 1.653 1.258 9.466) 9.691 3.522 ( 3.565 -4.405 17.844) 18.723 3.585 ( 3.229 -7.782 1.646) 8.585 3.643 ( 2.308 2.146 13.122) 13.495 3.740 ( -0.300 -3.639 -0.606) 3.701 3.831 ( 1.547 -1.310 -2.682) 3.362 3.862 ( -3.244 2.012 0.801) 3.900 3.947 ( 1.810 -0.450 -3.329) 3.816 4.024 ( -1.436 0.870 0.116) 1.683 4.132 ( -0.278 3.327 3.020) 4.502 4.189 ( -2.769 1.965 -1.075) 3.562 4.229 ( 2.744 -2.954 -1.040) 4.164 4.292 ( -1.490 1.587 -1.052) 2.417 4.473 ( -1.603 3.162 -0.577) 3.592 4.574 ( -4.159 2.352 -2.881) 5.579 4.747 ( 1.909 -3.344 0.688) 3.912 4.829 ( -0.416 -1.774 -2.017) 2.718 4.852 ( 0.481 -0.337 3.396) 3.447 4.922 ( 1.670 4.557 0.096) 4.854 5.033 ( -1.885 0.925 -0.530) 2.166 5.078 ( 0.903 -2.165 -4.611) 5.173 5.199 ( 0.795 -3.015 -3.992) 5.065 5.225 ( 1.440 0.047 -8.403) 8.525 5.312 ( 0.051 0.340 -11.137) 11.142 5.380 ( -1.962 1.279 -15.915) 16.087 5.567 ( 1.553 -1.416 -4.879) 5.313 5.604 ( 1.941 0.335 -2.606) 3.267 5.660 ( 0.219 -0.844 -2.486) 2.635 5.737 ( -3.993 1.545 2.261) 4.842 6.092 ( 0.268 0.998 10.001) 10.054 6.490 ( -2.307 2.323 1.429) 3.572 6.655 ( 1.819 -1.570 -0.823) 2.540 6.672 ( -0.354 -1.412 -2.146) 2.594 6.745 ( 2.330 -0.547 -1.771) 2.977 6.860 ( 1.162 -0.522 -2.164) 2.511 6.948 ( 0.840 -0.810 4.227) 4.385 7.029 ( 1.586 -2.335 -1.014) 2.999 7.089 ( -2.056 1.893 -2.714) 3.896 7.235 ( -0.062 -2.498 -2.754) 3.718 7.303 ( -0.225 3.036 2.960) 4.246 7.538 ( -0.077 -0.216 9.254) 9.257 7.741 ( -4.718 4.359 -2.665) 6.954 7.985 ( -3.423 -0.298 -1.613) 3.796 8.198 ( 1.863 -1.276 1.761) 2.864 8.272 ( 0.968 -2.316 -2.775) 3.742 8.430 ( 1.223 6.064 0.962) 6.260 8.538 ( 7.087 -4.673 -0.191) 8.491 8.710 ( -2.745 -1.686 0.997) 3.372 8.805 ( 6.461 0.247 5.084) 8.225 9.081 ( -9.624 1.470 1.964) 9.932 9.171 ( -1.500 -2.312 1.341) 3.064 9.293 ( -0.680 6.012 -0.064) 6.050 9.380 ( -0.493 -4.519 5.371) 7.036 9.486 ( 3.404 -0.808 5.289) 6.341 9.688 ( 5.631 0.581 0.589) 5.692 9.833 ( -1.930 -1.541 -6.933) 7.360 9.929 ( -5.775 0.009 -1.468) 5.959 10.035 ( 4.547 5.642 5.519) 9.109 10.152 ( -10.576 1.137 -2.872) 11.018 10.255 ( -2.501 3.852 -4.428) 6.380 10.470 ( -6.986 6.555 3.906) 10.345 10.970 ( 5.351 -7.618 -0.326) 9.316 11.072 ( 8.397 -3.944 6.732) 11.463 11.246 ( -0.288 4.232 -1.347) 4.450 11.319 ( -6.205 5.049 1.164) 8.084 11.447 ( 2.587 -1.572 0.232) 3.036 11.722 ( -0.924 0.760 2.977) 3.208 11.873 ( 0.726 -0.657 8.565) 8.621 12.018 ( -0.680 -1.685 3.879) 4.284 12.467 ( -6.506 5.439 -5.458) 10.084 12.831 ( 2.102 -1.428 -3.804) 4.575 13.227 ( 2.530 -6.376 -2.114) 7.178 13.380 ( 0.538 -0.149 -4.178) 4.215 13.408 ( 2.284 0.977 -8.597) 8.949 13.732 ( 4.353 -6.750 -0.367) 8.041 13.883 ( -0.024 4.024 5.781) 7.043 13.946 ( -1.193 2.483 4.335) 5.137 14.075 ( 0.709 -0.686 -4.063) 4.181 14.193 ( 4.492 4.203 2.438) 6.617 14.263 ( -8.285 -5.163 -1.450) 9.869 14.328 ( 0.852 -1.883 -5.136) 5.536 14.452 ( -3.388 5.649 -3.190) 7.319 14.897 ( 2.364 -2.436 -11.111) 11.618 15.099 ( -0.083 0.927 6.196) 6.266 15.222 ( -6.894 6.166 -1.663) 9.397 15.636 ( -2.731 4.230 3.628) 6.206 15.936 ( 4.320 -5.259 -17.288) 18.580 16.187 ( 5.761 -4.581 -16.946) 18.475 16.325 ( -2.271 1.163 -18.792) 18.964 17.277 ( -0.666 -0.416 -2.309) 2.439 17.548 ( 7.618 -5.371 3.806) 10.068 17.708 ( -1.015 -0.007 -2.010) 2.252 18.188 ( -0.140 0.014 10.318) 10.319 ======================= Grid point 32 (22/50) ======================= q-point: (-0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -1.110 -3.635 -16.196) 16.635 1.865 ( 1.124 -17.001 -14.147) 22.146 2.212 ( -0.912 2.731 0.995) 3.047 2.254 ( 1.459 1.062 2.894) 3.411 2.359 ( -0.483 -3.097 3.892) 4.997 2.386 ( 0.170 -4.847 0.437) 4.870 2.641 ( 0.355 8.362 1.370) 8.481 2.743 ( -0.328 -1.505 7.503) 7.660 2.875 ( 2.093 4.615 -2.383) 5.599 2.888 ( -1.298 0.659 -2.086) 2.544 2.949 ( -0.509 0.477 -2.645) 2.735 2.976 ( -2.073 1.281 -4.862) 5.439 3.022 ( 1.063 1.619 0.777) 2.087 3.043 ( 0.660 2.121 -3.429) 4.086 3.072 ( -0.345 -0.556 0.942) 1.148 3.130 ( -3.768 -0.796 0.445) 3.876 3.135 ( 3.684 -2.507 -0.532) 4.488 3.228 ( -4.216 8.092 1.897) 9.319 3.318 ( 4.497 3.068 -2.364) 5.935 3.432 ( 2.092 -3.261 -0.326) 3.888 3.614 ( -0.770 -1.358 -1.922) 2.476 3.698 ( -0.358 5.115 -2.466) 5.689 3.720 ( -4.080 -1.827 -0.078) 4.471 3.733 ( 2.808 -1.632 -4.832) 5.822 3.776 ( -2.192 3.847 2.053) 4.881 3.847 ( 2.411 -0.130 -2.785) 3.686 3.861 ( -0.156 1.701 -1.032) 1.995 3.924 ( -0.421 -4.684 -11.014) 11.976 3.978 ( 3.742 0.464 -2.896) 4.754 4.018 ( -6.159 -0.521 -1.357) 6.329 4.084 ( 3.125 -4.667 0.525) 5.641 4.188 ( 0.088 0.476 -3.247) 3.283 4.279 ( -0.035 2.495 -0.515) 2.548 4.407 ( 0.240 1.304 -16.715) 16.767 4.501 ( -1.160 0.459 -3.244) 3.476 4.537 ( 0.775 -2.556 -1.534) 3.080 4.758 ( -0.070 -0.629 2.919) 2.987 4.811 ( -0.126 3.538 -2.906) 4.580 4.900 ( -3.395 -0.956 2.815) 4.513 4.931 ( 4.954 -1.828 2.686) 5.924 4.969 ( 0.147 -1.197 9.040) 9.120 4.978 ( 0.284 -0.869 12.832) 12.865 5.000 ( -0.526 -1.034 1.819) 2.157 5.031 ( -1.334 -1.738 3.401) 4.046 5.148 ( -1.687 1.870 3.110) 4.002 5.159 ( 1.796 0.619 4.105) 4.523 5.295 ( -0.072 0.700 15.460) 15.476 5.633 ( 0.179 0.419 -1.315) 1.392 5.675 ( 0.312 2.094 -0.394) 2.153 5.741 ( -0.632 -3.234 -0.409) 3.320 6.307 ( 0.270 1.978 -9.290) 9.503 6.508 ( -0.083 -2.359 -2.708) 3.593 6.631 ( -0.352 0.959 1.108) 1.508 6.663 ( 0.181 -1.157 -0.293) 1.207 6.720 ( 0.701 3.796 1.757) 4.241 6.866 ( -1.042 0.202 0.733) 1.290 6.943 ( 0.363 -0.827 4.761) 4.846 6.985 ( 0.727 -2.135 4.413) 4.956 7.048 ( -0.609 1.336 -3.552) 3.843 7.273 ( -2.140 2.311 -0.613) 3.209 7.314 ( 2.182 -0.296 -0.755) 2.328 7.616 ( 0.000 -4.495 3.199) 5.517 7.730 ( 0.083 -0.228 -10.259) 10.262 7.926 ( -0.480 1.734 3.965) 4.354 8.254 ( -0.461 1.338 -1.462) 2.035 8.289 ( -2.019 -0.690 -2.437) 3.239 8.414 ( 2.610 -1.210 1.239) 3.132 8.601 ( 5.912 2.767 -1.238) 6.643 8.731 ( -6.399 -0.293 4.712) 7.953 8.779 ( 1.381 -0.571 2.505) 2.917 9.058 ( -1.159 -6.064 -7.775) 9.928 9.273 ( -1.849 2.886 -4.774) 5.877 9.331 ( 1.966 -1.305 -8.211) 8.543 9.427 ( -1.172 2.897 10.373) 10.834 9.468 ( 1.708 -2.534 5.068) 5.918 9.518 ( -1.119 -3.377 8.084) 8.832 9.719 ( 1.125 3.148 6.798) 7.576 10.067 ( 5.575 3.281 -9.089) 11.156 10.096 ( -4.943 -0.322 -6.940) 8.526 10.155 ( -0.700 0.712 -0.761) 1.255 10.354 ( -1.941 -9.818 -15.576) 18.514 10.390 ( 1.044 -7.107 1.426) 7.324 10.990 ( 4.528 4.622 12.339) 13.932 11.075 ( -5.807 1.388 3.211) 6.779 11.148 ( 2.045 0.818 -1.463) 2.644 11.338 ( -0.365 -3.750 2.935) 4.776 11.620 ( 1.002 8.272 -7.238) 11.038 11.750 ( 0.118 5.566 -10.045) 11.485 12.122 ( -0.872 0.657 -8.561) 8.631 12.210 ( 0.192 0.753 -11.502) 11.528 12.337 ( -0.108 -10.238 -4.173) 11.056 12.672 ( 0.239 4.313 15.608) 16.194 13.031 ( -0.959 -1.126 14.305) 14.381 13.301 ( 1.513 3.878 2.791) 5.012 13.365 ( -0.770 -1.375 2.208) 2.713 13.750 ( -0.722 3.883 3.045) 4.987 13.908 ( 1.164 -0.872 1.334) 1.973 13.954 ( 0.183 -5.435 -1.172) 5.563 13.965 ( 0.167 -0.737 4.461) 4.524 14.102 ( -0.175 2.389 1.347) 2.748 14.282 ( -0.001 1.486 -1.707) 2.263 14.378 ( -3.327 -1.046 -4.113) 5.393 14.428 ( 2.670 -4.361 -3.417) 6.150 14.771 ( 0.009 2.838 5.810) 6.466 15.242 ( -0.034 -1.589 -7.642) 7.806 15.271 ( 0.063 -4.079 -9.219) 10.081 15.697 ( 0.156 4.016 7.667) 8.657 15.751 ( 0.107 -0.194 -4.873) 4.878 15.923 ( -0.788 1.191 14.237) 14.309 15.937 ( 0.555 -0.383 14.254) 14.270 17.237 ( -0.120 -1.507 0.592) 1.624 17.635 ( 1.515 2.693 1.787) 3.569 17.654 ( -1.389 0.976 1.727) 2.421 18.341 ( -0.011 0.850 -4.143) 4.229 ======================= Grid point 34 (23/50) ======================= q-point: (-0.35 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 5.269 9.077 -11.421) 15.511 2.173 ( -0.658 1.459 2.969) 3.373 2.212 ( 1.429 -1.124 0.609) 1.918 2.262 ( 1.407 2.855 -0.763) 3.273 2.412 ( -1.129 5.151 -2.589) 5.875 2.465 ( 2.553 -1.259 -0.499) 2.890 2.557 ( 2.443 1.143 3.852) 4.702 2.710 ( -4.339 -1.596 -3.020) 5.522 2.775 ( -4.563 1.271 2.009) 5.145 2.846 ( -1.955 2.639 0.852) 3.393 2.872 ( 1.114 -2.813 -0.114) 3.027 2.938 ( -0.042 -0.518 -8.757) 8.772 3.004 ( -0.033 0.154 -4.058) 4.061 3.031 ( -1.235 0.288 -2.135) 2.483 3.059 ( 0.767 -4.058 -1.087) 4.270 3.090 ( 2.188 -2.274 3.018) 4.367 3.125 ( 2.822 -2.315 3.423) 5.004 3.205 ( -3.395 -5.020 1.783) 6.317 3.276 ( -2.552 -1.680 0.990) 3.212 3.474 ( 2.074 -5.903 1.601) 6.458 3.550 ( 5.321 -1.212 -3.325) 6.391 3.621 ( -4.753 -0.084 0.441) 4.774 3.671 ( 0.980 0.475 -7.025) 7.109 3.724 ( -0.197 -0.555 1.344) 1.468 3.747 ( -0.435 0.621 -7.420) 7.459 3.831 ( -1.323 -1.329 -5.300) 5.622 3.862 ( -1.358 0.518 -3.878) 4.141 3.953 ( 0.967 -3.233 -1.685) 3.772 4.019 ( -0.004 3.043 -10.649) 11.075 4.089 ( 1.747 6.403 -0.025) 6.637 4.172 ( -2.862 1.900 -4.258) 5.471 4.231 ( 1.828 2.738 -0.770) 3.381 4.270 ( 1.992 0.108 -0.784) 2.143 4.385 ( -1.358 -0.478 -12.356) 12.440 4.480 ( -0.771 1.905 -1.211) 2.386 4.565 ( -0.436 -0.791 -0.379) 0.980 4.730 ( -0.259 -1.959 -1.703) 2.608 4.780 ( -0.735 0.714 -1.837) 2.103 4.879 ( 0.886 -1.202 5.628) 5.823 4.927 ( -2.486 -1.875 -2.291) 3.866 5.001 ( 1.598 1.026 7.715) 7.946 5.017 ( 0.296 1.222 12.445) 12.509 5.027 ( 0.874 -1.471 7.038) 7.243 5.065 ( -2.559 -1.359 5.409) 6.136 5.072 ( 0.568 3.329 -3.076) 4.568 5.197 ( -0.159 2.208 5.531) 5.958 5.281 ( -0.722 0.612 10.654) 10.696 5.627 ( 0.866 -1.203 0.424) 1.542 5.690 ( -0.531 2.920 -2.954) 4.187 5.758 ( -0.961 0.521 -0.767) 1.336 6.262 ( 2.564 -4.810 -2.142) 5.857 6.570 ( 1.669 1.390 -1.611) 2.704 6.627 ( -0.163 1.480 0.504) 1.572 6.660 ( 0.628 -2.054 -2.667) 3.425 6.688 ( -1.839 0.319 2.741) 3.316 6.847 ( 1.897 -1.304 0.642) 2.389 6.939 ( -2.139 1.429 2.839) 3.831 6.955 ( -2.328 -1.288 -1.004) 2.844 7.064 ( 1.917 -1.476 2.900) 3.777 7.192 ( 0.260 -1.857 -0.951) 2.102 7.378 ( 0.051 2.170 -0.741) 2.293 7.688 ( -3.346 4.278 -4.436) 7.013 7.775 ( 4.083 0.817 -3.724) 5.586 7.893 ( -0.744 0.638 6.204) 6.281 8.174 ( -0.686 -2.534 -0.079) 2.626 8.295 ( 2.236 -0.956 -2.629) 3.582 8.413 ( 0.048 -4.466 3.565) 5.714 8.512 ( -2.230 -8.217 1.187) 8.597 8.805 ( 0.357 8.833 -6.680) 11.081 8.934 ( -0.414 12.697 6.534) 14.286 9.074 ( 2.911 0.063 -14.294) 14.587 9.215 ( -8.192 -3.498 -5.567) 10.504 9.342 ( 5.157 -0.928 6.356) 8.238 9.413 ( 0.779 2.973 -2.985) 4.284 9.449 ( -0.587 -3.175 8.943) 9.508 9.600 ( 0.440 3.533 -1.749) 3.967 9.679 ( -3.566 -0.809 7.690) 8.515 9.985 ( -0.463 -4.684 -3.707) 5.991 10.167 ( -2.441 4.995 -4.404) 7.092 10.211 ( 5.327 2.816 3.767) 7.106 10.371 ( 0.401 -3.562 -11.003) 11.572 10.594 ( 5.548 6.977 -0.634) 8.937 10.856 ( -8.583 -3.129 -2.255) 9.410 11.047 ( -4.523 -5.510 -2.907) 7.699 11.190 ( 9.821 4.297 21.352) 23.892 11.364 ( 2.204 -2.665 -1.121) 3.636 11.494 ( 0.246 -4.733 -3.006) 5.612 11.750 ( 3.671 -1.568 2.527) 4.724 12.049 ( -1.320 -2.288 -4.378) 5.113 12.197 ( 1.112 -1.542 -19.666) 19.757 12.476 ( 0.907 1.150 4.257) 4.502 12.578 ( -1.539 -1.477 13.674) 13.839 13.061 ( -2.394 6.205 2.914) 7.262 13.273 ( -2.375 0.339 2.208) 3.260 13.327 ( 0.574 -3.882 1.585) 4.233 13.632 ( -0.155 -4.579 1.364) 4.780 13.988 ( -1.385 1.447 0.369) 2.037 13.995 ( 1.714 2.588 0.525) 3.148 14.060 ( -2.496 2.547 1.743) 3.969 14.076 ( 1.622 2.418 1.751) 3.398 14.290 ( 1.106 0.851 0.179) 1.407 14.362 ( 3.352 -1.762 -4.534) 5.908 14.471 ( -0.837 -1.921 2.019) 2.910 14.722 ( -1.508 0.256 2.797) 3.188 15.306 ( 2.369 1.963 -4.809) 5.709 15.354 ( 2.263 0.688 -5.512) 5.998 15.610 ( -4.381 0.061 1.357) 4.587 15.767 ( 1.973 -0.828 0.730) 2.261 15.833 ( -2.405 -2.366 6.090) 6.962 15.967 ( -0.504 1.342 16.756) 16.817 17.274 ( 0.158 2.064 -0.761) 2.205 17.570 ( -1.218 -3.983 -4.588) 6.196 17.628 ( -1.117 1.594 3.466) 3.975 18.328 ( 0.349 -0.623 -3.488) 3.561 ======================= Grid point 35 (24/50) ======================= q-point: (-0.35 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -9.589 -6.643 -9.684) 15.161 2.117 ( 0.377 0.527 -2.053) 2.153 2.192 ( -1.254 1.946 1.937) 3.018 2.284 ( -3.055 -3.545 1.038) 4.794 2.434 ( -6.238 0.380 0.244) 6.254 2.482 ( 2.883 -0.478 -0.497) 2.965 2.489 ( -0.039 -3.941 -2.029) 4.433 2.695 ( 0.667 4.701 -3.767) 6.061 2.805 ( -3.535 6.675 4.992) 9.054 2.858 ( 0.952 -1.078 0.176) 1.449 2.895 ( 1.933 0.266 1.723) 2.603 2.941 ( 1.136 0.505 -9.025) 9.111 2.991 ( 0.240 0.570 -1.579) 1.696 3.015 ( 0.267 0.314 -4.104) 4.125 3.074 ( 3.285 0.669 1.178) 3.553 3.098 ( 2.184 -1.376 2.597) 3.661 3.140 ( 2.362 1.512 3.411) 4.416 3.200 ( 1.915 -3.745 1.273) 4.395 3.286 ( 5.868 -0.273 2.148) 6.254 3.431 ( 2.685 -0.524 -3.160) 4.180 3.529 ( 1.810 -2.932 -2.306) 4.146 3.637 ( -1.159 2.963 -3.782) 4.942 3.698 ( 1.168 1.517 -3.651) 4.122 3.711 ( 1.144 0.545 3.032) 3.286 3.766 ( -0.903 -1.652 -6.019) 6.306 3.841 ( 4.440 0.914 -6.505) 7.928 3.862 ( -1.511 3.097 -3.983) 5.266 3.919 ( 0.330 -2.473 -2.161) 3.300 4.027 ( -2.493 -0.168 -9.145) 9.480 4.101 ( -5.815 0.565 -2.368) 6.304 4.178 ( -2.528 1.479 -1.653) 3.364 4.227 ( -3.054 -3.290 1.389) 4.699 4.249 ( 0.254 -1.252 -4.066) 4.262 4.369 ( 0.093 2.019 -12.334) 12.499 4.521 ( -1.163 0.328 -4.158) 4.330 4.554 ( 0.950 0.002 1.928) 2.149 4.732 ( 2.205 0.364 0.022) 2.235 4.783 ( -0.539 1.106 0.068) 1.232 4.875 ( 1.421 -0.023 0.278) 1.448 4.926 ( 1.392 1.593 -3.013) 3.682 4.983 ( -1.548 -0.934 8.052) 8.253 4.997 ( -1.075 -1.190 5.656) 5.879 5.032 ( -0.778 -1.287 13.221) 13.307 5.070 ( 1.140 2.263 9.484) 9.817 5.097 ( -0.284 0.754 -4.167) 4.244 5.191 ( -2.819 -0.252 5.984) 6.619 5.286 ( -0.443 0.673 10.382) 10.413 5.622 ( 0.813 -0.907 -0.146) 1.226 5.683 ( -2.351 0.204 -2.940) 3.770 5.775 ( -0.554 1.472 0.284) 1.598 6.252 ( 4.376 -2.627 -2.936) 5.888 6.584 ( -1.256 -2.656 -1.490) 3.294 6.627 ( 0.569 0.861 0.202) 1.052 6.644 ( -0.671 -0.238 -0.409) 0.821 6.697 ( 0.456 0.971 0.836) 1.359 6.817 ( 0.741 0.260 -0.580) 0.976 6.947 ( -1.115 2.718 2.140) 3.635 7.001 ( 1.562 -0.480 1.741) 2.388 7.035 ( 1.208 -0.956 1.816) 2.381 7.201 ( 2.968 -0.088 0.131) 2.973 7.365 ( -3.291 -0.187 -1.998) 3.854 7.681 ( -3.920 2.517 -4.775) 6.671 7.783 ( -1.214 -3.397 -2.200) 4.225 7.924 ( 0.797 0.402 8.360) 8.408 8.177 ( 3.138 1.063 -0.016) 3.313 8.318 ( 1.449 -1.725 -4.435) 4.974 8.360 ( 2.579 0.853 2.328) 3.578 8.497 ( 5.454 -0.994 -0.500) 5.566 8.785 ( -9.202 -1.846 -5.056) 10.660 8.945 ( -9.012 2.449 -1.900) 9.530 9.066 ( 0.608 2.328 -4.532) 5.131 9.232 ( -0.309 5.782 -7.330) 9.341 9.331 ( 1.247 -4.165 7.159) 8.376 9.456 ( -0.100 -1.517 1.604) 2.210 9.500 ( 6.364 -1.969 4.371) 7.968 9.594 ( -3.169 -1.511 2.429) 4.269 9.613 ( -3.796 4.627 2.636) 6.540 9.958 ( 2.636 0.571 -3.590) 4.491 10.143 ( -3.975 2.409 -5.815) 7.444 10.244 ( -0.341 -4.139 3.770) 5.609 10.446 ( 2.670 -2.824 -6.757) 7.795 10.640 ( -3.129 -7.100 4.363) 8.901 10.815 ( -0.914 7.447 -6.513) 9.936 10.968 ( 2.211 8.808 -1.875) 9.272 11.171 ( -0.111 -8.577 12.468) 15.134 11.376 ( 0.617 -1.287 0.710) 1.594 11.496 ( 4.557 -2.247 -2.260) 5.561 11.752 ( 1.492 -3.443 2.584) 4.556 12.071 ( 3.336 1.337 -2.444) 4.347 12.197 ( 1.573 -1.375 -20.142) 20.250 12.499 ( -0.894 -1.854 5.534) 5.904 12.557 ( 1.163 2.371 13.363) 13.621 13.112 ( -6.442 3.876 7.339) 10.507 13.218 ( 1.393 -0.468 -2.430) 2.840 13.331 ( 2.466 1.086 1.414) 3.043 13.643 ( 5.412 0.152 2.474) 5.953 13.946 ( -4.373 1.382 -3.281) 5.639 14.012 ( -3.029 -0.388 2.370) 3.865 14.046 ( -0.069 -3.564 0.474) 3.596 14.091 ( -2.551 2.366 2.153) 4.091 14.290 ( -0.935 -0.883 0.386) 1.343 14.415 ( 5.509 -2.823 -3.468) 7.095 14.440 ( -1.164 0.488 3.160) 3.403 14.720 ( -0.410 1.704 2.516) 3.066 15.311 ( -1.879 -2.710 -6.968) 7.709 15.346 ( -0.869 -1.898 -3.373) 3.967 15.605 ( -0.304 4.473 2.209) 4.998 15.746 ( 0.508 -0.995 -2.294) 2.552 15.865 ( 3.575 1.091 7.347) 8.243 15.961 ( -2.026 0.743 17.343) 17.477 17.283 ( -1.853 -0.239 0.173) 1.876 17.542 ( 2.123 1.373 -5.166) 5.751 17.646 ( 0.043 1.042 3.070) 3.243 18.329 ( 0.644 -0.348 -3.436) 3.513 ======================= Grid point 36 (25/50) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.000 0.000 -22.048) 22.048 0.900 ( -0.000 0.000 -22.048) 22.048 2.034 ( -0.000 0.000 -42.150) 42.150 2.117 ( -0.000 0.000 -2.490) 2.490 2.287 ( -0.000 0.000 -5.747) 5.747 2.441 ( 0.000 -0.000 0.512) 0.512 2.441 ( 0.000 -0.000 0.512) 0.512 2.672 ( -0.000 0.000 -13.417) 13.417 2.672 ( -0.000 0.000 -13.417) 13.417 2.726 ( -0.000 0.000 -4.800) 4.800 2.796 ( -0.000 0.000 -16.534) 16.534 2.798 ( -0.000 0.000 -10.963) 10.963 2.804 ( -0.000 0.000 -1.950) 1.950 2.804 ( -0.000 0.000 -1.950) 1.950 2.981 ( -0.000 0.000 -0.865) 0.865 2.981 ( -0.000 0.000 -0.865) 0.865 3.083 ( -0.000 0.000 -1.740) 1.740 3.109 ( -0.000 0.000 -7.791) 7.791 3.356 ( -0.000 0.000 -8.577) 8.577 3.356 ( -0.000 0.000 -8.577) 8.577 3.412 ( 0.000 -0.000 7.161) 7.161 3.443 ( 0.000 -0.000 5.063) 5.063 3.469 ( 0.000 -0.000 0.106) 0.106 3.469 ( 0.000 -0.000 0.106) 0.106 3.559 ( -0.000 0.000 -1.154) 1.154 3.839 ( 0.000 -0.000 3.222) 3.222 3.864 ( 0.000 -0.000 3.039) 3.039 4.001 ( 0.000 -0.000 4.442) 4.442 4.071 ( 0.000 -0.000 2.342) 2.342 4.078 ( -0.000 0.000 -2.718) 2.718 4.115 ( 0.000 -0.000 5.005) 5.005 4.115 ( 0.000 -0.000 5.005) 5.005 4.295 ( 0.000 -0.000 2.012) 2.012 4.402 ( 0.000 -0.000 0.018) 0.018 4.402 ( 0.000 -0.000 0.018) 0.018 4.510 ( 0.000 -0.000 4.087) 4.087 4.772 ( -0.000 0.000 -3.989) 3.989 4.878 ( 0.000 -0.000 2.826) 2.826 4.886 ( 0.000 -0.000 1.678) 1.678 4.886 ( 0.000 -0.000 1.678) 1.678 4.939 ( 0.000 -0.000 1.493) 1.493 5.292 ( 0.000 -0.000 7.150) 7.150 5.299 ( 0.000 -0.000 3.311) 3.311 5.299 ( 0.000 -0.000 3.311) 3.311 5.512 ( -0.000 0.000 -3.392) 3.392 5.512 ( -0.000 0.000 -3.392) 3.392 5.620 ( -0.000 0.000 -0.088) 0.088 5.633 ( 0.000 -0.000 4.263) 4.263 5.633 ( 0.000 -0.000 4.263) 4.263 5.835 ( 0.000 -0.000 0.626) 0.626 5.847 ( -0.000 0.000 -3.319) 3.319 6.416 ( -0.000 0.000 -0.526) 0.526 6.726 ( 0.000 -0.000 2.704) 2.704 6.726 ( 0.000 -0.000 2.704) 2.704 6.848 ( -0.000 0.000 -6.179) 6.179 6.908 ( -0.000 0.000 -0.237) 0.237 6.908 ( -0.000 0.000 -0.237) 0.237 7.047 ( 0.000 -0.000 5.253) 5.253 7.171 ( 0.000 -0.000 3.540) 3.540 7.207 ( -0.000 0.000 -1.737) 1.737 7.207 ( -0.000 0.000 -1.737) 1.737 7.400 ( -0.000 0.000 -4.443) 4.443 7.634 ( -0.000 0.000 -3.010) 3.010 8.129 ( 0.000 -0.000 7.355) 7.355 8.225 ( 0.000 -0.000 0.732) 0.732 8.225 ( 0.000 -0.000 0.732) 0.732 8.348 ( -0.000 0.000 -0.023) 0.023 8.732 ( -0.000 0.000 -1.725) 1.725 8.805 ( -0.000 0.000 -4.325) 4.325 8.805 ( -0.000 0.000 -4.325) 4.325 8.829 ( 0.000 -0.000 2.693) 2.693 9.191 ( 0.000 -0.000 1.422) 1.422 9.191 ( 0.000 -0.000 1.422) 1.422 9.309 ( -0.000 0.000 -16.088) 16.088 9.435 ( -0.000 0.000 -1.257) 1.257 9.612 ( -0.000 0.000 -4.638) 4.638 9.612 ( -0.000 0.000 -4.638) 4.638 10.039 ( 0.000 -0.000 3.022) 3.022 10.109 ( -0.000 0.000 -2.054) 2.054 10.207 ( -0.000 0.000 -5.168) 5.168 10.246 ( 0.000 -0.000 14.779) 14.779 10.246 ( 0.000 -0.000 14.779) 14.779 10.911 ( -0.000 0.000 -17.359) 17.359 11.032 ( -0.000 0.000 -2.351) 2.351 11.177 ( -0.000 0.000 -4.378) 4.378 11.177 ( -0.000 0.000 -4.378) 4.378 11.556 ( -0.000 0.000 -0.044) 0.044 11.790 ( -0.000 0.000 -1.437) 1.437 11.790 ( -0.000 0.000 -1.437) 1.437 11.914 ( 0.000 -0.000 9.616) 9.616 12.401 ( 0.000 -0.000 0.699) 0.699 12.885 ( 0.000 -0.000 1.580) 1.580 13.270 ( -0.000 0.000 -11.639) 11.639 13.270 ( -0.000 0.000 -11.639) 11.639 13.632 ( 0.000 -0.000 10.225) 10.225 13.743 ( -0.000 0.000 -3.884) 3.884 13.843 ( -0.000 0.000 -4.679) 4.679 13.843 ( -0.000 0.000 -4.679) 4.679 14.085 ( -0.000 0.000 -4.139) 4.139 14.160 ( -0.000 0.000 -0.151) 0.151 14.160 ( -0.000 0.000 -0.151) 0.151 14.475 ( 0.000 -0.000 10.074) 10.074 14.573 ( 0.000 -0.000 3.177) 3.177 15.075 ( 0.000 -0.000 2.743) 2.743 15.075 ( 0.000 -0.000 2.743) 2.743 15.282 ( 0.000 -0.000 23.948) 23.948 15.624 ( 0.000 -0.000 11.182) 11.182 16.381 ( 0.000 -0.000 15.929) 15.929 16.638 ( 0.000 -0.000 16.872) 16.872 16.638 ( 0.000 -0.000 16.872) 16.872 17.393 ( 0.000 -0.000 6.484) 6.484 17.706 ( 0.000 -0.000 0.361) 0.361 17.706 ( 0.000 -0.000 0.361) 0.361 17.874 ( -0.000 0.000 -19.948) 19.948 ======================= Grid point 37 (26/50) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 10.153 14.635 -16.382) 24.200 1.522 ( 27.760 23.801 -9.773) 37.850 2.061 ( 0.023 -0.400 -27.757) 27.760 2.090 ( -0.742 -1.579 -13.875) 13.985 2.274 ( -1.102 0.043 -10.637) 10.694 2.393 ( -4.054 -3.345 -4.613) 6.993 2.439 ( -1.243 -0.648 0.591) 1.522 2.548 ( -2.913 -4.000 -8.022) 9.426 2.619 ( -4.032 1.063 -9.282) 10.176 2.685 ( 3.096 -0.699 -7.277) 7.939 2.777 ( 2.408 -0.646 -11.676) 11.939 2.819 ( 4.048 -1.779 -1.616) 4.708 2.840 ( -3.410 -4.987 -3.426) 6.945 2.861 ( 0.855 3.013 -9.951) 10.432 2.961 ( -0.675 3.055 -3.166) 4.451 2.994 ( -1.538 2.236 -1.758) 3.234 3.086 ( -1.754 -0.772 -8.505) 8.718 3.143 ( 2.338 1.974 -4.338) 5.308 3.203 ( -5.581 -6.251 -12.147) 14.757 3.286 ( -4.399 -4.379 4.080) 7.428 3.397 ( -0.212 1.452 -3.667) 3.950 3.423 ( -2.533 -2.277 3.977) 5.236 3.451 ( -1.049 -2.899 2.344) 3.873 3.546 ( 3.374 1.937 6.081) 7.219 3.596 ( -1.402 -1.638 -0.085) 2.157 3.762 ( -7.342 -1.982 1.704) 7.794 3.861 ( 1.551 -1.299 1.967) 2.822 3.905 ( -2.827 -0.407 2.381) 3.719 4.010 ( -0.610 -2.301 2.541) 3.483 4.040 ( -2.580 0.046 0.165) 2.586 4.087 ( 4.081 -2.647 0.575) 4.898 4.193 ( -2.114 0.563 -0.399) 2.224 4.279 ( 1.177 -1.575 2.880) 3.487 4.345 ( 2.776 3.829 3.200) 5.711 4.504 ( 4.889 3.208 2.200) 6.248 4.615 ( 1.095 3.838 0.976) 4.109 4.751 ( -2.748 -2.317 0.756) 3.673 4.797 ( 0.943 0.648 -0.899) 1.455 4.855 ( -1.874 1.200 0.972) 2.428 4.955 ( 3.785 -0.579 2.860) 4.779 5.059 ( 2.295 1.403 1.973) 3.336 5.167 ( -4.956 -2.556 4.118) 6.932 5.263 ( -3.019 -2.673 2.440) 4.713 5.335 ( 0.829 0.438 3.947) 4.057 5.397 ( -3.558 -4.137 -4.950) 7.368 5.544 ( -1.090 -2.398 2.349) 3.529 5.595 ( 0.578 3.823 1.863) 4.292 5.645 ( -0.244 2.444 -1.546) 2.903 5.697 ( 4.478 0.042 4.324) 6.225 5.839 ( -0.898 0.429 8.332) 8.391 5.903 ( 2.249 0.908 -8.780) 9.109 6.476 ( 2.820 2.593 -0.096) 3.832 6.670 ( -3.708 -3.458 -0.153) 5.072 6.711 ( -2.380 -0.713 0.953) 2.661 6.771 ( -1.333 -2.048 0.872) 2.595 6.845 ( -2.227 -0.762 -4.063) 4.696 6.894 ( 3.666 -0.008 -0.600) 3.715 7.012 ( -3.946 -3.402 -2.647) 5.844 7.120 ( -1.238 0.186 0.596) 1.387 7.240 ( 2.988 0.011 -0.716) 3.073 7.321 ( -0.119 2.446 0.673) 2.540 7.410 ( 0.071 0.398 -0.328) 0.520 7.749 ( 7.706 6.775 -2.115) 10.477 7.997 ( -2.155 1.108 0.058) 2.424 8.173 ( -1.589 -3.765 -0.380) 4.104 8.369 ( -3.628 2.749 2.152) 5.035 8.391 ( 3.920 -1.435 2.325) 4.778 8.561 ( -4.669 -4.479 0.808) 6.520 8.679 ( 0.583 -8.167 1.232) 8.280 8.790 ( -0.278 -0.692 0.278) 0.796 8.975 ( -0.813 4.720 -6.004) 7.680 9.118 ( -3.504 -1.227 -8.436) 9.217 9.258 ( 3.345 -2.304 -4.399) 5.987 9.282 ( -1.388 3.427 -2.126) 4.265 9.355 ( -0.059 0.325 -6.780) 6.788 9.655 ( 1.754 2.454 1.707) 3.466 9.799 ( 3.221 1.994 -3.927) 5.456 10.009 ( -4.313 0.932 0.831) 4.490 10.093 ( 4.407 -0.056 8.394) 9.480 10.318 ( 0.920 7.732 9.483) 12.270 10.354 ( 7.321 5.350 -5.190) 10.448 10.425 ( 6.275 2.832 10.420) 12.489 10.844 ( -3.400 -3.836 -10.061) 11.291 11.000 ( -0.397 -1.796 -3.092) 3.598 11.195 ( 2.205 0.261 -7.258) 7.590 11.210 ( 1.474 3.503 -7.115) 8.066 11.455 ( -2.694 -2.888 1.399) 4.190 11.587 ( -7.050 -7.663 -4.662) 11.409 11.841 ( 3.365 2.430 -0.203) 4.155 12.068 ( 1.373 2.833 5.999) 6.775 12.572 ( 6.656 7.970 5.524) 11.762 12.848 ( -0.391 -3.445 -0.968) 3.599 13.162 ( -7.248 -0.874 -7.595) 10.534 13.350 ( 3.525 2.727 -7.586) 8.798 13.584 ( -1.316 -5.395 4.290) 7.017 13.698 ( -3.622 -4.322 -2.734) 6.266 13.714 ( -2.094 0.584 -8.423) 8.700 13.870 ( 4.441 0.309 -1.210) 4.613 14.131 ( -0.205 -0.219 1.875) 1.899 14.146 ( 0.714 -1.520 -0.342) 1.714 14.264 ( 1.683 6.506 -2.188) 7.067 14.391 ( -5.423 -4.685 0.438) 7.180 14.572 ( 2.612 1.771 5.781) 6.586 15.033 ( -4.307 -0.540 -1.302) 4.532 15.268 ( 1.171 1.575 23.779) 23.860 15.330 ( 10.571 6.509 8.184) 14.869 15.694 ( 4.631 4.393 11.672) 13.303 16.303 ( -3.839 -3.849 18.823) 19.593 16.491 ( -7.526 -8.512 12.873) 17.170 16.663 ( 0.107 1.903 15.319) 15.437 17.346 ( -2.645 -1.011 4.532) 5.344 17.450 ( -5.634 -8.676 -6.099) 12.009 17.740 ( 0.897 1.692 1.419) 2.384 17.967 ( 1.868 2.090 -10.817) 11.175 ======================= Grid point 38 (27/50) ======================= q-point: (-0.11 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 0.000 -11.256) 11.256 1.845 ( 0.000 0.000 -7.850) 7.850 2.148 ( -0.000 0.000 -25.011) 25.011 2.218 ( 0.000 0.000 -28.725) 28.725 2.289 ( -0.000 0.000 -3.475) 3.475 2.292 ( 0.000 0.000 -1.971) 1.971 2.450 ( 0.000 0.000 -1.199) 1.199 2.527 ( 0.000 0.000 -1.400) 1.400 2.587 ( 0.000 -0.000 -6.720) 6.720 2.654 ( -0.000 -0.000 -3.930) 3.930 2.743 ( 0.000 0.000 -8.349) 8.349 2.842 ( 0.000 0.000 -12.003) 12.003 2.890 ( 0.000 -0.000 -1.327) 1.327 2.892 ( -0.000 0.000 -6.129) 6.129 2.909 ( -0.000 0.000 -4.586) 4.586 2.962 ( 0.000 0.000 -1.366) 1.366 2.985 ( -0.000 0.000 -6.508) 6.508 3.081 ( 0.000 -0.000 -7.368) 7.368 3.089 ( -0.000 0.000 -6.139) 6.139 3.165 ( 0.000 0.000 -3.063) 3.063 3.265 ( 0.000 0.000 -3.846) 3.846 3.405 ( 0.000 0.000 4.830) 4.830 3.440 ( 0.000 -0.000 -1.890) 1.890 3.552 ( 0.000 0.000 2.038) 2.038 3.622 ( 0.000 0.000 9.587) 9.587 3.715 ( 0.000 0.000 -0.285) 0.285 3.891 ( 0.000 0.000 -0.979) 0.979 3.928 ( 0.000 0.000 0.168) 0.168 3.970 ( 0.000 0.000 1.366) 1.366 3.983 ( 0.000 0.000 3.807) 3.807 4.125 ( 0.000 0.000 -0.137) 0.137 4.166 ( 0.000 0.000 -1.598) 1.598 4.299 ( 0.000 0.000 3.694) 3.694 4.421 ( 0.000 0.000 3.393) 3.393 4.592 ( 0.000 0.000 0.680) 0.680 4.644 ( 0.000 0.000 -0.793) 0.793 4.736 ( 0.000 0.000 3.123) 3.123 4.796 ( 0.000 0.000 1.306) 1.306 4.858 ( 0.000 0.000 1.753) 1.753 4.966 ( 0.000 0.000 2.379) 2.379 5.081 ( 0.000 -0.000 2.627) 2.627 5.122 ( -0.000 0.000 1.120) 1.120 5.167 ( 0.000 0.000 1.857) 1.857 5.304 ( 0.000 0.000 -0.171) 0.171 5.351 ( 0.000 0.000 -0.254) 0.254 5.513 ( 0.000 0.000 -0.077) 0.077 5.642 ( 0.000 0.000 1.295) 1.295 5.667 ( 0.000 0.000 0.393) 0.393 5.770 ( 0.000 -0.000 4.330) 4.330 5.816 ( -0.000 0.000 8.374) 8.374 5.929 ( 0.000 0.000 -8.427) 8.427 6.544 ( 0.000 0.000 -1.347) 1.347 6.580 ( -0.000 0.000 0.442) 0.442 6.678 ( 0.000 0.000 0.076) 0.076 6.751 ( 0.000 0.000 -0.880) 0.880 6.803 ( 0.000 0.000 -3.571) 3.571 6.936 ( 0.000 0.000 -3.904) 3.904 6.978 ( 0.000 0.000 0.875) 0.875 7.060 ( 0.000 0.000 -0.481) 0.481 7.281 ( 0.000 0.000 -0.489) 0.489 7.324 ( 0.000 0.000 -9.184) 9.184 7.418 ( 0.000 0.000 9.452) 9.452 7.896 ( 0.000 0.000 1.776) 1.776 8.091 ( 0.000 0.000 -1.973) 1.973 8.173 ( 0.000 0.000 -2.226) 2.226 8.246 ( 0.000 0.000 3.251) 3.251 8.351 ( 0.000 0.000 -0.754) 0.754 8.458 ( 0.000 0.000 3.199) 3.199 8.607 ( 0.000 0.000 0.021) 0.021 8.872 ( -0.000 0.000 -7.099) 7.099 8.876 ( 0.000 0.000 1.003) 1.003 9.138 ( 0.000 0.000 -9.824) 9.824 9.260 ( 0.000 0.000 -5.204) 5.204 9.342 ( -0.000 -0.000 -6.109) 6.109 9.349 ( 0.000 0.000 -4.257) 4.257 9.701 ( 0.000 -0.000 7.141) 7.141 9.805 ( -0.000 0.000 -4.975) 4.975 9.984 ( 0.000 0.000 -0.142) 0.142 10.148 ( 0.000 0.000 8.770) 8.770 10.418 ( 0.000 0.000 6.669) 6.669 10.464 ( 0.000 0.000 9.574) 9.574 10.624 ( 0.000 0.000 5.890) 5.890 10.677 ( -0.000 0.000 -7.267) 7.267 10.987 ( 0.000 0.000 -4.252) 4.252 11.248 ( 0.000 0.000 -3.299) 3.299 11.319 ( 0.000 0.000 -15.025) 15.025 11.360 ( 0.000 0.000 -17.942) 17.942 11.412 ( 0.000 0.000 1.610) 1.610 11.918 ( 0.000 0.000 0.050) 0.050 12.068 ( 0.000 0.000 9.979) 9.979 12.767 ( 0.000 -0.000 6.971) 6.971 12.778 ( -0.000 0.000 -2.878) 2.878 13.079 ( 0.000 0.000 -2.322) 2.322 13.419 ( 0.000 0.000 -2.950) 2.950 13.483 ( 0.000 0.000 -1.576) 1.576 13.625 ( 0.000 0.000 1.373) 1.373 13.703 ( 0.000 0.000 -14.895) 14.895 13.971 ( 0.000 0.000 2.976) 2.976 14.090 ( 0.000 0.000 0.292) 0.292 14.153 ( -0.000 0.000 -1.080) 1.080 14.186 ( 0.000 0.000 -5.093) 5.093 14.466 ( 0.000 0.000 4.510) 4.510 14.584 ( 0.000 0.000 2.479) 2.479 14.955 ( 0.000 0.000 -5.602) 5.602 15.283 ( 0.000 0.000 30.286) 30.286 15.573 ( 0.000 0.000 8.257) 8.257 15.864 ( 0.000 0.000 4.133) 4.133 16.192 ( 0.000 0.000 17.781) 17.781 16.227 ( 0.000 0.000 17.913) 17.913 16.686 ( 0.000 0.000 14.224) 14.224 17.310 ( 0.000 0.000 1.222) 1.222 17.323 ( 0.000 0.000 0.615) 0.615 17.767 ( 0.000 0.000 2.046) 2.046 18.002 ( 0.000 0.000 -9.551) 9.551 ======================= Grid point 41 (28/50) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.035 23.686 -0.000) 23.686 0.506 ( 5.124 27.415 -0.000) 27.889 0.956 ( -2.936 51.360 -0.000) 51.444 1.886 ( -0.418 -7.766 0.000) 7.777 2.062 ( -0.528 -0.711 0.000) 0.885 2.185 ( 1.895 -8.819 0.000) 9.020 2.359 ( 1.666 -10.484 0.000) 10.615 2.387 ( -2.227 6.194 -0.000) 6.582 2.433 ( -1.624 -0.477 -0.000) 1.693 2.573 ( 0.612 8.887 -0.000) 8.908 2.603 ( 1.685 -4.923 0.000) 5.203 2.687 ( 1.789 5.945 -0.000) 6.208 2.757 ( -5.553 -6.468 0.000) 8.525 2.849 ( 0.196 -12.447 0.000) 12.448 2.863 ( 1.861 4.625 -0.000) 4.985 2.874 ( -1.986 -5.648 0.000) 5.987 3.013 ( 5.034 1.965 0.000) 5.404 3.112 ( -1.413 4.702 -0.000) 4.910 3.149 ( -11.825 -1.225 -0.000) 11.889 3.153 ( 11.895 -1.422 0.000) 11.980 3.449 ( -2.450 -4.886 0.000) 5.466 3.484 ( -0.093 9.929 -0.000) 9.930 3.520 ( 1.563 1.423 0.000) 2.114 3.592 ( -0.485 -0.330 -0.000) 0.586 3.729 ( -0.226 0.167 -0.000) 0.281 3.897 ( 0.840 -1.030 0.000) 1.329 3.901 ( 1.197 -1.919 0.000) 2.261 3.939 ( -1.062 1.949 -0.000) 2.220 4.040 ( 3.880 -5.734 0.000) 6.923 4.084 ( -1.560 -2.406 0.000) 2.868 4.215 ( 3.397 -2.103 0.000) 3.995 4.262 ( -4.947 0.787 -0.000) 5.009 4.349 ( -15.152 -5.565 -0.000) 16.142 4.386 ( 1.962 3.103 -0.000) 3.671 4.419 ( 11.564 -5.662 0.000) 12.875 4.647 ( 1.226 -0.052 0.000) 1.227 4.691 ( -0.363 4.874 -0.000) 4.888 4.898 ( -0.197 -3.326 0.000) 3.332 5.000 ( 4.310 0.120 0.000) 4.312 5.106 ( 1.651 -4.574 0.000) 4.863 5.108 ( -9.096 2.580 -0.000) 9.454 5.146 ( -1.623 -0.695 -0.000) 1.766 5.167 ( 5.254 2.657 0.000) 5.887 5.348 ( 0.309 -0.963 0.000) 1.011 5.426 ( -0.226 -6.792 0.000) 6.796 5.426 ( -0.165 -5.060 0.000) 5.062 5.652 ( -0.948 3.909 -0.000) 4.022 5.689 ( 5.269 -3.400 0.000) 6.270 5.691 ( -0.699 4.761 -0.000) 4.812 5.749 ( -5.961 1.617 -0.000) 6.176 5.957 ( 0.921 1.719 -0.000) 1.950 6.404 ( -0.494 0.080 -0.000) 0.500 6.457 ( 0.182 4.103 -0.000) 4.107 6.664 ( 0.755 -2.224 0.000) 2.348 6.778 ( -0.047 -7.106 0.000) 7.106 6.812 ( 2.192 2.194 -0.000) 3.102 6.887 ( 0.205 0.871 -0.000) 0.895 6.918 ( -1.511 -1.815 0.000) 2.362 7.138 ( -0.767 -4.530 0.000) 4.595 7.211 ( 0.489 -0.300 0.000) 0.573 7.390 ( -0.615 3.039 -0.000) 3.101 7.460 ( -0.514 10.980 -0.000) 10.992 7.559 ( 1.238 -0.566 0.000) 1.361 8.001 ( -0.520 -8.073 0.000) 8.090 8.271 ( 0.889 0.687 0.000) 1.123 8.320 ( 2.284 -4.027 0.000) 4.630 8.699 ( -4.931 0.982 -0.000) 5.027 8.706 ( -0.700 -1.579 0.000) 1.728 8.721 ( 1.363 -1.453 0.000) 1.992 8.768 ( 0.818 -6.392 0.000) 6.444 8.855 ( 1.733 0.927 0.000) 1.965 9.018 ( -5.793 0.660 -0.000) 5.831 9.093 ( -0.554 -0.958 0.000) 1.107 9.118 ( 0.886 1.441 -0.000) 1.691 9.272 ( -0.316 -1.295 0.000) 1.332 9.441 ( -2.488 3.969 -0.000) 4.684 9.773 ( 7.533 6.175 0.000) 9.740 9.999 ( 0.352 7.838 -0.000) 7.846 10.058 ( 2.988 -0.399 0.000) 3.015 10.244 ( -2.188 1.814 -0.000) 2.842 10.489 ( 0.384 0.209 0.000) 0.437 10.516 ( 0.347 2.455 -0.000) 2.479 10.602 ( -0.858 4.267 -0.000) 4.352 10.916 ( 0.764 -3.827 0.000) 3.902 11.101 ( -3.644 -3.203 -0.000) 4.852 11.175 ( 2.854 3.088 -0.000) 4.205 11.572 ( 0.012 -2.487 0.000) 2.487 11.635 ( -0.912 -13.949 0.000) 13.979 11.752 ( -0.421 5.121 -0.000) 5.139 12.151 ( 0.529 3.745 -0.000) 3.782 12.587 ( -3.009 5.434 -0.000) 6.212 12.811 ( 4.589 -3.141 0.000) 5.561 12.993 ( -0.018 1.591 -0.000) 1.591 13.126 ( 0.005 -0.437 0.000) 0.437 13.410 ( -2.395 -5.503 0.000) 6.002 13.588 ( -1.505 -1.495 -0.000) 2.122 13.773 ( 5.783 0.174 0.000) 5.786 13.823 ( -0.164 -0.139 -0.000) 0.215 14.050 ( -4.892 2.820 -0.000) 5.647 14.175 ( 0.154 -0.655 0.000) 0.673 14.177 ( -0.152 -0.416 0.000) 0.443 14.387 ( -0.261 -6.548 0.000) 6.553 14.669 ( 0.030 0.938 -0.000) 0.938 15.091 ( 13.082 -0.404 0.000) 13.088 15.251 ( -11.733 9.764 -0.000) 15.264 15.940 ( -0.244 -0.782 0.000) 0.819 16.087 ( 0.079 5.427 -0.000) 5.428 16.739 ( -0.175 0.547 -0.000) 0.574 16.933 ( 0.090 -6.547 0.000) 6.547 17.046 ( 0.152 -4.186 0.000) 4.189 17.300 ( -1.093 5.358 -0.000) 5.468 17.526 ( 0.972 -2.550 0.000) 2.729 17.710 ( 0.147 -1.600 0.000) 1.606 17.813 ( 0.031 4.669 -0.000) 4.669 ======================= Grid point 42 (29/50) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.444 20.166 -0.000) 21.862 1.196 ( 12.014 23.437 -0.000) 26.337 1.533 ( -15.166 -9.948 -0.000) 18.138 1.751 ( -4.607 -7.335 0.000) 8.661 2.052 ( 9.246 29.355 -0.000) 30.776 2.254 ( 3.148 -0.767 0.000) 3.240 2.259 ( 15.293 -4.615 0.000) 15.974 2.378 ( -1.562 -4.487 0.000) 4.751 2.446 ( 1.622 0.246 0.000) 1.640 2.532 ( 6.848 -13.493 0.000) 15.131 2.573 ( -0.345 0.113 -0.000) 0.363 2.677 ( 0.084 -1.093 0.000) 1.096 2.730 ( -0.522 2.535 -0.000) 2.588 2.740 ( -1.843 -2.838 0.000) 3.384 2.842 ( 1.919 0.304 0.000) 1.943 2.902 ( -11.525 1.698 -0.000) 11.650 2.948 ( -0.428 3.308 -0.000) 3.336 3.054 ( -4.059 -1.038 -0.000) 4.189 3.170 ( -4.272 -5.858 0.000) 7.250 3.207 ( -8.815 2.423 -0.000) 9.142 3.317 ( 8.683 -3.578 0.000) 9.391 3.456 ( -13.042 -4.003 -0.000) 13.643 3.544 ( -0.365 -0.061 -0.000) 0.370 3.630 ( -2.597 7.601 -0.000) 8.033 3.742 ( -6.375 -0.209 -0.000) 6.378 3.788 ( 2.473 -2.194 0.000) 3.306 3.862 ( -3.401 0.368 -0.000) 3.421 3.967 ( 1.300 0.390 0.000) 1.357 3.979 ( 1.928 1.076 0.000) 2.208 4.050 ( 3.647 -0.865 0.000) 3.748 4.157 ( -3.050 -1.283 -0.000) 3.309 4.189 ( 1.486 -0.290 0.000) 1.514 4.302 ( 6.266 -0.218 0.000) 6.270 4.486 ( -0.189 2.190 -0.000) 2.198 4.558 ( 9.705 -0.293 0.000) 9.709 4.620 ( 0.481 -3.788 0.000) 3.819 4.783 ( 2.494 2.568 -0.000) 3.579 4.816 ( -0.606 -5.587 0.000) 5.620 4.941 ( -2.132 -3.699 0.000) 4.269 5.039 ( -6.755 -1.625 -0.000) 6.948 5.093 ( 2.009 -3.723 0.000) 4.231 5.117 ( 5.563 0.362 0.000) 5.575 5.202 ( 7.347 -7.589 0.000) 10.563 5.298 ( -3.248 -4.178 0.000) 5.292 5.306 ( -3.093 4.008 -0.000) 5.063 5.423 ( 1.737 -1.687 0.000) 2.421 5.586 ( -5.617 -2.234 -0.000) 6.045 5.682 ( -1.401 3.185 -0.000) 3.480 5.765 ( -2.497 5.671 -0.000) 6.197 5.797 ( 7.222 -0.807 0.000) 7.267 5.977 ( -1.593 0.056 -0.000) 1.594 6.417 ( -0.698 2.781 -0.000) 2.867 6.590 ( 2.033 6.562 -0.000) 6.869 6.626 ( -1.842 0.486 -0.000) 1.905 6.716 ( 1.707 -2.607 0.000) 3.116 6.782 ( -6.350 -2.176 -0.000) 6.712 6.796 ( -5.164 -2.645 -0.000) 5.803 6.960 ( 5.130 3.518 0.000) 6.220 7.052 ( -0.278 -5.145 0.000) 5.153 7.228 ( -3.800 0.012 -0.000) 3.800 7.298 ( 0.257 1.030 -0.000) 1.062 7.711 ( 8.919 -3.714 0.000) 9.662 7.777 ( 11.855 2.304 0.000) 12.077 7.844 ( 2.275 0.052 0.000) 2.276 8.207 ( -8.635 3.679 -0.000) 9.386 8.237 ( -1.610 -11.615 0.000) 11.726 8.528 ( 0.512 -8.397 0.000) 8.412 8.670 ( 2.231 -1.286 0.000) 2.575 8.715 ( -4.762 7.707 -0.000) 9.059 8.748 ( 2.978 -1.788 0.000) 3.474 8.845 ( -7.613 -0.763 -0.000) 7.651 8.924 ( -3.091 3.990 -0.000) 5.047 9.110 ( 1.441 1.199 0.000) 1.875 9.159 ( -0.172 1.044 -0.000) 1.059 9.215 ( -1.662 -1.204 -0.000) 2.052 9.569 ( 5.365 5.877 -0.000) 7.958 9.873 ( 2.972 -3.410 0.000) 4.523 10.069 ( -11.393 -0.300 -0.000) 11.397 10.246 ( 8.780 6.775 0.000) 11.090 10.432 ( 14.442 6.312 0.000) 15.762 10.475 ( 0.236 -4.221 0.000) 4.228 10.529 ( -1.897 -2.458 0.000) 3.105 10.674 ( -1.417 4.039 -0.000) 4.280 10.897 ( 3.435 0.166 0.000) 3.439 11.014 ( -3.635 3.023 -0.000) 4.727 11.219 ( -4.492 2.221 -0.000) 5.012 11.272 ( -6.149 -12.040 0.000) 13.519 11.509 ( 0.138 -3.023 0.000) 3.026 11.886 ( 0.283 6.342 -0.000) 6.349 12.201 ( -4.658 5.149 -0.000) 6.943 12.602 ( 1.475 -3.477 0.000) 3.777 12.897 ( 9.321 -0.976 0.000) 9.372 13.044 ( 2.032 1.531 0.000) 2.544 13.104 ( -0.649 -1.611 0.000) 1.737 13.241 ( -6.492 -2.657 -0.000) 7.014 13.627 ( 2.905 1.314 0.000) 3.188 13.644 ( -5.670 -2.832 -0.000) 6.338 13.861 ( 4.608 -0.159 0.000) 4.610 14.022 ( -0.266 -7.377 0.000) 7.382 14.158 ( -0.335 -0.531 0.000) 0.627 14.169 ( 0.170 -0.416 0.000) 0.450 14.420 ( 6.396 3.757 0.000) 7.418 14.697 ( 0.021 1.502 -0.000) 1.503 14.989 ( -11.922 -1.319 -0.000) 11.995 15.529 ( 9.498 11.390 -0.000) 14.830 15.861 ( -4.724 -3.364 -0.000) 5.800 16.189 ( -2.394 5.820 -0.000) 6.293 16.737 ( -0.505 0.077 -0.000) 0.511 16.801 ( -2.501 -2.428 -0.000) 3.486 17.004 ( 3.725 -4.700 0.000) 5.997 17.342 ( 1.059 0.535 0.000) 1.186 17.495 ( -3.747 1.548 -0.000) 4.054 17.720 ( 4.911 -3.647 0.000) 6.117 17.874 ( -2.625 4.304 -0.000) 5.041 ======================= Grid point 43 (30/50) ======================= q-point: ( 0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -20.160 -8.405 -0.000) 21.842 1.110 ( -21.428 -14.308 -0.000) 25.766 1.537 ( 9.970 15.612 -0.000) 18.524 1.864 ( 9.851 12.980 -0.000) 16.295 2.059 ( -38.189 -15.802 -0.000) 41.329 2.200 ( 4.050 -12.776 0.000) 13.403 2.218 ( 3.683 -4.571 0.000) 5.870 2.399 ( 4.246 -2.539 0.000) 4.947 2.463 ( 6.691 -1.764 0.000) 6.920 2.508 ( 3.793 -2.466 0.000) 4.524 2.644 ( 8.803 -1.254 0.000) 8.892 2.666 ( 0.109 0.526 -0.000) 0.538 2.703 ( -3.421 1.002 -0.000) 3.564 2.755 ( -0.166 0.539 -0.000) 0.564 2.885 ( 1.561 -4.014 0.000) 4.307 2.911 ( -1.491 10.948 -0.000) 11.049 2.951 ( -6.919 -0.100 -0.000) 6.920 2.972 ( -2.275 7.627 -0.000) 7.959 3.150 ( 6.189 3.376 0.000) 7.050 3.296 ( 9.203 14.326 -0.000) 17.027 3.312 ( 3.481 -8.900 0.000) 9.557 3.357 ( -1.749 7.718 -0.000) 7.914 3.566 ( -1.630 0.620 -0.000) 1.744 3.633 ( -7.617 2.666 -0.000) 8.070 3.652 ( 2.567 -1.722 0.000) 3.091 3.846 ( 0.652 0.190 0.000) 0.679 3.848 ( -0.059 2.214 -0.000) 2.214 3.970 ( -0.576 -0.183 -0.000) 0.604 4.005 ( -1.617 -0.171 -0.000) 1.626 4.070 ( -0.128 -1.410 0.000) 1.416 4.132 ( 1.418 0.928 0.000) 1.695 4.225 ( 1.406 2.531 -0.000) 2.896 4.377 ( 4.671 -4.804 0.000) 6.700 4.410 ( -6.169 -0.226 -0.000) 6.173 4.588 ( 3.033 -3.507 0.000) 4.637 4.608 ( 0.150 -8.708 0.000) 8.709 4.839 ( -6.052 -2.452 -0.000) 6.529 4.850 ( 5.425 3.287 0.000) 6.344 4.877 ( 3.455 -1.247 0.000) 3.673 4.952 ( 5.192 3.208 0.000) 6.103 5.034 ( 6.981 -4.753 0.000) 8.445 5.176 ( -1.679 -1.786 0.000) 2.451 5.245 ( 4.698 -3.761 0.000) 6.018 5.292 ( 5.191 3.933 0.000) 6.512 5.308 ( -3.891 2.954 -0.000) 4.885 5.412 ( 1.858 -2.482 0.000) 3.101 5.546 ( 1.928 2.239 -0.000) 2.954 5.699 ( -2.861 2.206 -0.000) 3.613 5.782 ( -5.105 3.030 -0.000) 5.937 5.879 ( 3.083 -5.507 0.000) 6.311 5.930 ( -2.154 2.972 -0.000) 3.670 6.446 ( -3.330 2.235 -0.000) 4.010 6.582 ( -6.459 -2.131 -0.000) 6.801 6.590 ( 0.150 -0.691 0.000) 0.707 6.687 ( 2.989 0.408 0.000) 3.017 6.787 ( 1.878 3.450 -0.000) 3.928 6.805 ( 1.757 4.511 -0.000) 4.841 6.943 ( -1.551 -3.495 0.000) 3.824 7.090 ( 3.844 0.029 0.000) 3.844 7.178 ( 0.034 1.389 -0.000) 1.389 7.347 ( -1.521 3.239 -0.000) 3.579 7.682 ( 3.621 -10.416 0.000) 11.028 7.789 ( -1.302 -8.485 0.000) 8.584 7.875 ( -1.963 -5.471 0.000) 5.812 8.164 ( 10.314 1.143 0.000) 10.377 8.201 ( -3.658 7.694 -0.000) 8.519 8.540 ( 9.776 -0.001 0.000) 9.776 8.701 ( 3.880 -2.575 0.000) 4.657 8.732 ( -1.924 -0.698 -0.000) 2.047 8.801 ( -5.377 8.305 -0.000) 9.894 8.874 ( 3.211 8.411 -0.000) 9.003 8.882 ( -6.052 0.978 -0.000) 6.130 9.102 ( 0.759 -3.069 0.000) 3.161 9.133 ( -1.870 0.746 -0.000) 2.013 9.240 ( 0.689 1.979 -0.000) 2.095 9.738 ( -14.202 5.139 -0.000) 15.103 9.759 ( 2.355 -9.064 0.000) 9.365 9.914 ( 8.650 -1.687 0.000) 8.813 10.223 ( -5.866 -9.271 0.000) 10.971 10.473 ( 1.892 0.729 0.000) 2.028 10.484 ( -7.124 -8.237 0.000) 10.890 10.535 ( 3.423 -0.417 0.000) 3.449 10.661 ( -2.875 2.518 -0.000) 3.821 10.924 ( -3.063 -4.093 0.000) 5.112 11.055 ( 0.591 6.282 -0.000) 6.310 11.175 ( -3.690 2.884 -0.000) 4.683 11.284 ( 12.651 6.532 0.000) 14.238 11.508 ( 3.049 -0.168 0.000) 3.054 11.895 ( -6.022 -0.136 -0.000) 6.024 12.185 ( -5.403 4.117 -0.000) 6.793 12.640 ( 5.460 1.801 0.000) 5.749 12.854 ( -2.524 -12.186 0.000) 12.445 13.045 ( -1.572 -2.013 0.000) 2.554 13.103 ( 1.652 0.656 0.000) 1.777 13.262 ( 4.182 7.385 -0.000) 8.487 13.544 ( 3.010 -3.512 0.000) 4.625 13.704 ( -2.523 4.994 -0.000) 5.595 13.883 ( -2.270 -3.899 0.000) 4.511 14.020 ( 11.461 0.185 0.000) 11.463 14.157 ( 0.522 0.217 0.000) 0.565 14.170 ( 0.426 -0.055 0.000) 0.429 14.457 ( -3.980 -6.113 0.000) 7.295 14.696 ( -1.702 0.067 -0.000) 1.704 14.898 ( -0.556 7.750 -0.000) 7.770 15.600 ( -10.792 -5.939 -0.000) 12.318 15.857 ( 4.447 5.533 -0.000) 7.099 16.180 ( -5.667 1.928 -0.000) 5.986 16.760 ( -1.842 0.679 -0.000) 1.964 16.773 ( 4.179 2.067 0.000) 4.663 17.005 ( 4.565 -3.539 0.000) 5.776 17.403 ( 3.059 -0.783 0.000) 3.157 17.434 ( -4.883 3.230 -0.000) 5.855 17.726 ( 3.581 -4.552 0.000) 5.792 17.870 ( -4.459 2.572 -0.000) 5.148 ======================= Grid point 45 (31/50) ======================= q-point: ( 0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.060 17.316 12.934) 21.828 1.936 ( -5.436 28.562 5.556) 29.601 2.101 ( 0.337 4.705 24.517) 24.967 2.125 ( -1.014 4.898 13.035) 13.962 2.201 ( 3.385 -8.061 5.442) 10.298 2.346 ( 1.941 -1.091 9.106) 9.375 2.415 ( 0.297 -2.249 2.449) 3.339 2.483 ( -0.593 -8.241 12.031) 14.595 2.584 ( 1.350 -1.818 7.093) 7.446 2.613 ( -2.459 -8.999 10.953) 14.388 2.713 ( -2.457 -0.362 5.486) 6.022 2.771 ( -2.409 -1.869 10.311) 10.753 2.823 ( -0.136 -0.545 1.340) 1.453 2.895 ( 0.693 2.758 6.309) 6.921 2.957 ( 1.073 3.532 3.134) 4.843 3.040 ( 1.344 -5.509 9.837) 11.354 3.109 ( 0.988 0.006 7.575) 7.639 3.159 ( 4.221 -0.575 0.608) 4.304 3.229 ( -4.766 -3.279 2.759) 6.409 3.248 ( -0.858 4.407 -1.333) 4.684 3.301 ( 2.900 -4.376 7.200) 8.910 3.421 ( -1.109 -0.613 -6.819) 6.935 3.468 ( -1.617 2.869 -2.927) 4.406 3.571 ( 3.590 -0.068 -3.766) 5.203 3.689 ( -0.741 4.293 0.320) 4.368 3.793 ( 3.814 1.645 -1.972) 4.598 3.844 ( 0.978 -3.108 -2.373) 4.031 3.933 ( -0.352 0.344 -2.787) 2.831 3.946 ( -3.348 -3.597 -2.333) 5.440 4.038 ( 0.704 0.703 0.396) 1.071 4.108 ( -5.472 -1.764 -0.716) 5.794 4.214 ( 1.091 0.864 -0.294) 1.422 4.252 ( -2.212 -3.086 -1.856) 4.226 4.302 ( 1.621 -1.113 -2.274) 3.007 4.399 ( 0.933 1.363 -0.820) 1.844 4.614 ( 1.072 -1.857 0.510) 2.204 4.765 ( 0.224 -1.995 0.096) 2.010 4.822 ( 0.721 -1.440 -0.956) 1.872 4.834 ( -0.431 4.083 -1.292) 4.305 4.910 ( -0.037 -4.864 -2.985) 5.707 5.049 ( -1.782 -3.859 -1.698) 4.577 5.125 ( 1.419 -2.532 -1.740) 3.384 5.285 ( -1.178 -0.040 -2.378) 2.654 5.295 ( 1.416 -0.045 -2.882) 3.211 5.427 ( -2.137 -2.941 4.703) 5.944 5.490 ( 5.166 -3.952 0.644) 6.536 5.536 ( -1.937 -1.495 -2.165) 3.267 5.601 ( -0.102 -0.401 -3.420) 3.445 5.705 ( -1.576 0.645 -2.697) 3.190 5.852 ( 0.578 0.480 -8.997) 9.028 6.030 ( -0.330 7.882 8.785) 11.807 6.538 ( -0.405 5.969 -0.426) 5.998 6.654 ( 0.823 -2.809 0.224) 2.936 6.700 ( 1.170 -1.041 -0.129) 1.572 6.757 ( -1.940 0.878 -0.143) 2.135 6.827 ( 2.801 -1.047 4.524) 5.423 6.891 ( -3.475 -1.439 -1.534) 4.062 7.021 ( -0.048 -0.518 4.448) 4.478 7.090 ( 1.347 -3.294 -0.791) 3.646 7.242 ( -2.108 1.040 1.875) 3.007 7.358 ( 3.404 2.605 -4.440) 6.172 7.392 ( -0.966 -0.567 3.384) 3.565 7.752 ( -1.176 3.311 1.461) 3.805 7.943 ( 3.535 -1.434 2.910) 4.798 8.195 ( -2.395 -0.707 -0.155) 2.502 8.288 ( -2.294 -4.258 -2.490) 5.440 8.428 ( 7.701 -5.655 3.822) 10.290 8.611 ( -5.113 6.424 -3.770) 9.035 8.637 ( -5.459 -2.442 -1.982) 6.301 8.781 ( -4.005 -7.043 1.757) 8.291 8.983 ( 8.923 0.574 3.822) 9.724 9.071 ( 1.721 -0.457 2.061) 2.723 9.204 ( -3.980 1.018 2.438) 4.777 9.315 ( 1.507 -0.147 7.066) 7.226 9.366 ( -0.212 1.432 4.596) 4.818 9.608 ( 1.387 1.049 4.028) 4.387 9.802 ( -0.069 -4.755 -1.597) 5.017 10.069 ( 4.109 4.616 -2.859) 6.809 10.134 ( -4.367 1.490 -8.334) 9.526 10.269 ( 1.443 2.705 -4.616) 5.541 10.402 ( 0.644 -0.200 0.440) 0.805 10.568 ( -0.646 11.925 -5.456) 13.129 10.801 ( -0.061 -2.257 6.934) 7.292 11.008 ( -1.938 -0.270 2.821) 3.433 11.236 ( -0.374 2.789 8.967) 9.398 11.319 ( 0.266 7.311 10.144) 12.507 11.409 ( 0.683 -1.090 0.977) 1.615 11.476 ( -1.001 -9.642 4.984) 10.900 11.938 ( -0.609 9.217 0.328) 9.243 12.142 ( 0.986 4.358 -8.299) 9.425 12.605 ( 1.252 1.056 -2.343) 2.859 12.797 ( -2.583 -4.350 -1.704) 5.338 13.157 ( 9.154 -4.287 8.706) 13.340 13.270 ( -5.289 -1.261 3.980) 6.738 13.477 ( -1.740 -3.880 0.606) 4.295 13.696 ( 0.282 -1.089 6.027) 6.131 13.772 ( 0.028 -2.468 1.431) 2.853 13.929 ( -3.133 7.282 0.718) 7.960 14.121 ( -0.407 0.288 -0.259) 0.562 14.146 ( -1.445 0.410 -1.561) 2.166 14.254 ( 2.251 -2.953 7.631) 8.487 14.376 ( 2.767 0.018 0.182) 2.773 14.538 ( -0.920 -2.735 -5.667) 6.359 15.025 ( 2.310 -2.302 -2.223) 3.947 15.375 ( 1.028 9.119 -25.440) 27.045 15.455 ( -3.360 12.145 -6.291) 14.084 15.761 ( -0.505 8.602 -12.357) 15.064 16.230 ( -0.049 -8.250 -20.471) 22.071 16.419 ( -0.552 -10.215 -10.294) 14.513 16.574 ( 1.642 -5.831 -15.362) 16.514 17.276 ( 0.277 -2.557 -1.278) 2.871 17.499 ( -2.269 -1.021 1.412) 2.861 17.632 ( 1.455 -3.829 -0.878) 4.189 18.045 ( 0.151 4.444 8.054) 9.200 ======================= Grid point 46 (32/50) ======================= q-point: ( 0.36 -0.14 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -16.764 -7.471 7.945) 19.999 1.774 ( 12.591 14.419 7.927) 20.719 2.159 ( 0.582 -2.248 12.466) 12.681 2.208 ( 4.845 -0.583 11.840) 12.806 2.245 ( -4.725 -3.690 20.367) 21.231 2.381 ( 3.143 -1.900 11.960) 12.511 2.414 ( 0.898 -0.269 2.163) 2.357 2.491 ( -0.483 -2.278 4.056) 4.677 2.572 ( 2.573 -1.457 7.168) 7.754 2.610 ( -3.144 -4.967 8.776) 10.563 2.693 ( 11.609 6.460 3.314) 13.692 2.745 ( 3.189 -2.889 14.612) 15.233 2.851 ( 1.641 4.492 0.811) 4.851 2.894 ( -5.431 -4.771 0.464) 7.244 2.959 ( -0.917 4.981 8.252) 9.682 2.996 ( -3.650 -0.934 9.442) 10.166 3.068 ( -2.787 3.317 5.664) 7.131 3.155 ( -5.243 3.475 4.965) 8.013 3.174 ( -7.698 2.278 4.631) 9.268 3.284 ( -1.205 2.860 0.151) 3.107 3.293 ( 3.513 -3.318 2.897) 5.634 3.300 ( -4.051 4.784 -4.264) 7.581 3.447 ( 0.410 -1.436 -5.985) 6.169 3.606 ( -4.654 2.406 -2.547) 5.826 3.716 ( 1.559 2.419 -2.630) 3.899 3.773 ( -4.889 0.864 -1.031) 5.071 3.857 ( 0.872 -2.912 -2.089) 3.688 3.914 ( 4.298 0.777 -3.438) 5.559 3.975 ( 1.423 4.052 -0.481) 4.322 3.984 ( -4.219 -1.445 1.174) 4.611 4.127 ( 3.199 3.101 -0.347) 4.469 4.154 ( -1.183 -2.781 1.432) 3.344 4.254 ( 4.152 -1.521 -3.032) 5.361 4.339 ( 3.369 -5.275 -4.400) 7.651 4.549 ( 3.740 -3.500 -1.604) 5.368 4.575 ( 1.330 -5.843 2.763) 6.599 4.633 ( 6.183 -1.503 -2.066) 6.690 4.761 ( -1.519 -1.674 0.497) 2.314 4.879 ( 2.510 -3.847 0.367) 4.608 4.891 ( 0.017 1.652 -1.008) 1.935 5.007 ( 2.692 -1.055 -2.013) 3.523 5.141 ( -1.775 0.296 -2.856) 3.375 5.213 ( -2.152 2.663 -1.608) 3.782 5.329 ( 0.781 -0.904 -3.139) 3.358 5.369 ( -0.545 1.630 0.735) 1.869 5.447 ( 1.108 -3.791 4.611) 6.072 5.561 ( 2.470 -3.435 2.725) 5.032 5.593 ( 5.583 -3.388 -8.374) 10.619 5.709 ( -1.355 2.240 -1.617) 3.077 5.853 ( -0.848 0.416 -8.982) 9.031 6.107 ( -4.534 4.675 9.279) 11.336 6.600 ( -1.692 2.100 0.067) 2.697 6.644 ( -3.205 2.767 -1.430) 4.469 6.687 ( -1.451 0.286 -1.390) 2.030 6.751 ( 0.322 1.491 2.098) 2.593 6.810 ( -0.538 -1.575 4.254) 4.568 6.907 ( 3.469 -0.682 -3.369) 4.884 6.987 ( -1.375 1.923 6.134) 6.574 7.045 ( 0.238 -2.181 0.395) 2.229 7.280 ( 2.304 2.083 -0.667) 3.177 7.322 ( -1.427 -3.284 3.212) 4.810 7.427 ( -2.209 2.200 -2.076) 3.746 7.812 ( 2.523 -0.936 -0.196) 2.699 8.008 ( -3.072 -9.220 3.633) 10.375 8.123 ( 10.694 3.200 6.589) 12.962 8.239 ( -2.486 3.717 -3.128) 5.457 8.351 ( -1.517 -7.278 -0.158) 7.436 8.591 ( 5.066 -0.958 -0.705) 5.204 8.636 ( 3.697 -1.067 -1.503) 4.131 8.697 ( -1.249 5.552 2.028) 6.041 9.008 ( -7.343 1.365 -1.439) 7.606 9.085 ( -0.778 -1.022 2.415) 2.735 9.243 ( 3.372 1.744 6.729) 7.726 9.321 ( -0.677 -3.759 4.090) 5.596 9.370 ( 0.727 1.143 5.558) 5.720 9.640 ( -0.003 -2.217 3.816) 4.414 9.751 ( 2.721 -2.256 -3.735) 5.142 10.049 ( -4.698 2.854 -4.387) 7.033 10.168 ( 2.009 -0.852 -10.419) 10.645 10.347 ( 3.066 -1.158 -0.376) 3.299 10.388 ( 0.883 -3.068 -2.000) 3.767 10.718 ( -4.552 5.126 -1.128) 6.948 10.799 ( -4.702 2.560 0.312) 5.363 10.971 ( 2.778 1.108 3.465) 4.577 11.256 ( 3.682 -4.585 14.229) 15.396 11.308 ( 1.871 -1.676 -0.291) 2.529 11.377 ( -2.230 2.920 8.031) 8.832 11.495 ( -6.422 6.330 13.684) 16.388 12.048 ( -7.275 7.846 -0.091) 10.700 12.173 ( -4.206 3.268 -10.882) 12.116 12.595 ( 5.188 -5.142 1.286) 7.417 12.748 ( 7.375 -6.889 -2.989) 10.525 13.096 ( -5.800 1.297 2.393) 6.406 13.304 ( 4.858 -2.826 6.200) 8.368 13.432 ( 2.907 -1.824 -0.199) 3.438 13.670 ( -1.833 1.642 2.970) 3.857 13.738 ( 0.816 0.053 6.992) 7.040 14.040 ( -2.858 4.426 0.451) 5.287 14.103 ( -0.067 1.469 3.326) 3.637 14.145 ( 0.133 1.195 1.138) 1.655 14.203 ( -0.408 -0.964 5.252) 5.355 14.379 ( 1.567 -5.756 -1.590) 6.174 14.534 ( 3.279 -1.838 -4.683) 6.005 14.979 ( -2.719 0.905 -3.159) 4.265 15.458 ( -8.061 7.789 -24.119) 26.597 15.652 ( -1.880 3.787 -9.072) 10.009 15.934 ( -3.082 5.499 -5.791) 8.560 16.085 ( 4.846 -5.672 -20.429) 21.748 16.214 ( 0.052 -1.297 -18.358) 18.404 16.533 ( 7.302 -8.067 -13.904) 17.655 17.266 ( -0.881 0.719 -1.643) 1.998 17.448 ( -2.289 3.712 -1.027) 4.480 17.628 ( 4.727 -5.526 -0.777) 7.313 18.087 ( -2.572 2.453 7.409) 8.217 ======================= Grid point 50 (33/50) ======================= q-point: ( 0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 1.604 5.805 -0.346) 6.032 2.077 ( -1.076 -7.149 -5.391) 9.019 2.162 ( -3.386 -0.233 -3.237) 4.690 2.260 ( 6.559 -1.938 -0.596) 6.866 2.285 ( -3.365 -3.868 1.212) 5.268 2.413 ( 0.007 -8.095 -2.634) 8.513 2.527 ( -0.681 -5.667 10.124) 11.622 2.614 ( 0.049 2.396 2.502) 3.464 2.876 ( 0.192 7.698 3.266) 8.364 2.904 ( 0.822 1.322 0.623) 1.677 2.943 ( -0.529 -0.026 8.772) 8.788 2.971 ( -0.031 5.625 0.963) 5.707 2.997 ( -0.051 0.331 2.654) 2.675 3.036 ( -0.132 3.876 0.725) 3.945 3.107 ( -0.379 2.185 -1.993) 2.981 3.144 ( -2.344 1.575 -4.691) 5.475 3.168 ( 3.208 -1.225 -2.125) 4.038 3.226 ( -3.478 4.044 -1.056) 5.438 3.380 ( 5.834 2.388 -3.727) 7.323 3.479 ( 0.448 -2.577 -2.786) 3.821 3.629 ( -0.849 -0.946 -0.664) 1.434 3.643 ( -3.738 2.554 5.981) 7.501 3.679 ( -0.381 0.087 6.264) 6.276 3.711 ( -1.819 -1.004 3.494) 4.066 3.741 ( 1.841 1.725 5.328) 5.895 3.806 ( 0.538 -1.525 5.746) 5.969 3.828 ( 2.252 -3.623 9.259) 10.194 3.955 ( -1.113 0.114 2.924) 3.130 4.003 ( 0.465 -0.954 5.422) 5.525 4.014 ( -1.046 0.944 -2.468) 2.842 4.089 ( 0.236 -5.232 -1.233) 5.380 4.215 ( 0.449 0.525 1.170) 1.359 4.301 ( 0.164 2.569 6.811) 7.281 4.338 ( -0.845 -1.693 14.865) 14.985 4.472 ( 0.857 -1.415 -3.603) 3.964 4.561 ( -0.018 -0.511 3.366) 3.404 4.750 ( -0.145 -1.288 -1.763) 2.188 4.760 ( 0.134 0.559 5.183) 5.215 4.876 ( -0.421 0.427 4.079) 4.123 4.916 ( 0.230 -2.037 -1.030) 2.294 4.990 ( -0.650 -1.162 -6.712) 6.843 4.992 ( 0.110 -1.167 -9.821) 9.891 5.024 ( -0.281 -1.080 2.325) 2.579 5.040 ( 0.780 -1.290 -0.476) 1.581 5.099 ( -0.155 3.908 -13.726) 14.273 5.169 ( 0.033 0.411 -3.278) 3.304 5.241 ( 0.125 -3.097 -11.891) 12.288 5.655 ( -0.131 1.431 2.071) 2.521 5.667 ( 0.231 1.243 -1.604) 2.043 5.712 ( -0.047 -3.718 3.272) 4.953 6.419 ( -0.435 7.095 -1.352) 7.236 6.575 ( 1.242 -0.009 -3.863) 4.057 6.631 ( -1.220 0.248 -1.248) 1.763 6.664 ( 0.528 1.837 0.911) 2.118 6.688 ( 0.280 -0.378 2.359) 2.405 6.860 ( -1.753 -0.630 -0.035) 1.863 6.884 ( -1.105 -1.551 -0.455) 1.958 6.925 ( 2.622 -4.122 0.938) 4.974 7.103 ( -0.418 2.352 -1.725) 2.947 7.279 ( 1.425 1.654 0.048) 2.183 7.308 ( -1.502 -0.763 1.185) 2.059 7.577 ( 0.057 -3.104 0.899) 3.232 7.834 ( -0.093 3.271 4.647) 5.683 7.924 ( 1.281 1.640 -8.947) 9.186 8.248 ( 0.834 1.339 2.676) 3.107 8.293 ( -1.698 -1.059 2.420) 3.141 8.415 ( -0.696 0.002 -1.374) 1.540 8.621 ( -4.594 0.589 3.315) 5.696 8.641 ( 6.993 -3.010 1.648) 7.790 8.740 ( -1.932 -5.579 -0.300) 5.911 9.131 ( 2.394 1.123 6.227) 6.765 9.178 ( -5.757 1.337 7.572) 9.605 9.331 ( 3.403 -8.626 0.737) 9.302 9.398 ( -0.117 0.627 -4.450) 4.495 9.479 ( 0.795 4.533 -4.354) 6.335 9.587 ( 2.714 -1.399 -7.494) 8.093 9.607 ( -3.084 -1.497 -0.598) 3.480 9.973 ( -0.854 -1.842 8.329) 8.573 10.080 ( -0.282 -2.012 11.131) 11.315 10.334 ( 0.160 6.747 -9.668) 11.791 10.408 ( 2.304 0.321 -2.687) 3.554 10.669 ( -1.498 -8.111 -11.287) 13.980 10.763 ( 4.147 11.528 5.107) 13.273 10.969 ( -5.888 -4.956 5.141) 9.255 11.252 ( 2.422 -4.651 0.083) 5.245 11.342 ( -1.323 0.406 -10.358) 10.450 11.632 ( 0.092 4.444 2.881) 5.297 11.975 ( -0.438 13.712 -4.605) 14.471 12.141 ( 0.469 8.665 0.366) 8.686 12.270 ( 0.505 3.164 21.164) 21.405 12.417 ( 0.189 -6.053 -9.362) 11.150 12.625 ( -0.201 4.037 -12.138) 12.794 12.848 ( 0.401 -12.867 -1.545) 12.966 13.271 ( 0.174 1.855 -0.121) 1.867 13.319 ( -0.705 -2.702 1.649) 3.243 13.744 ( 0.702 3.857 -2.229) 4.510 13.879 ( -2.291 -1.739 1.741) 3.363 13.941 ( 1.291 -3.978 -1.508) 4.446 14.007 ( 0.734 -1.091 -3.841) 4.059 14.107 ( -0.465 1.510 -1.623) 2.265 14.323 ( -0.190 2.687 -2.137) 3.438 14.437 ( 0.054 1.362 -1.026) 1.706 14.471 ( 0.572 -1.873 -0.542) 2.032 14.695 ( -0.221 0.024 0.796) 0.826 15.326 ( 0.298 1.899 -0.633) 2.024 15.367 ( -0.354 -1.191 0.201) 1.259 15.537 ( -0.181 -1.635 6.120) 6.337 15.793 ( -1.509 1.548 -0.458) 2.210 15.832 ( 2.111 -2.348 -7.939) 8.544 15.931 ( -0.444 -0.905 -9.417) 9.471 17.242 ( 0.160 -1.440 -0.705) 1.611 17.583 ( -1.748 0.758 3.250) 3.767 17.604 ( 1.581 -1.118 3.080) 3.638 18.354 ( 0.010 1.170 2.648) 2.895 ======================= Grid point 54 (34/50) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.000 0.000 -20.396) 20.396 1.316 ( -0.000 0.000 -20.396) 20.396 2.175 ( -0.000 0.000 -3.467) 3.467 2.317 ( 0.000 -0.000 1.390) 1.390 2.408 ( 0.000 -0.000 3.054) 3.054 2.408 ( 0.000 -0.000 3.054) 3.054 2.622 ( -0.000 0.000 -18.538) 18.538 2.777 ( -0.000 0.000 -0.370) 0.370 2.841 ( -0.000 0.000 -3.108) 3.108 2.841 ( -0.000 0.000 -3.108) 3.108 2.900 ( -0.000 0.000 -7.378) 7.378 2.900 ( -0.000 0.000 -7.378) 7.378 3.012 ( -0.000 0.000 -7.728) 7.728 3.018 ( -0.000 0.000 -3.019) 3.019 3.018 ( -0.000 0.000 -3.019) 3.019 3.058 ( 0.000 -0.000 4.777) 4.777 3.081 ( -0.000 0.000 -0.274) 0.274 3.367 ( 0.000 -0.000 1.525) 1.525 3.391 ( -0.000 0.000 -19.733) 19.733 3.409 ( 0.000 -0.000 1.151) 1.151 3.409 ( 0.000 -0.000 1.151) 1.151 3.432 ( -0.000 0.000 -17.177) 17.177 3.623 ( -0.000 0.000 -12.877) 12.877 3.623 ( -0.000 0.000 -12.877) 12.877 3.673 ( -0.000 0.000 -11.536) 11.536 3.767 ( 0.000 -0.000 2.760) 2.760 3.788 ( 0.000 -0.000 4.293) 4.293 3.899 ( 0.000 -0.000 5.270) 5.270 4.006 ( 0.000 -0.000 4.267) 4.267 4.033 ( 0.000 -0.000 2.930) 2.930 4.033 ( 0.000 -0.000 2.930) 2.930 4.131 ( -0.000 0.000 -2.238) 2.238 4.272 ( -0.000 0.000 -0.533) 0.533 4.408 ( 0.000 -0.000 6.046) 6.046 4.422 ( -0.000 0.000 -2.569) 2.569 4.422 ( -0.000 0.000 -2.569) 2.569 4.811 ( 0.000 -0.000 2.978) 2.978 4.860 ( -0.000 0.000 -3.631) 3.631 4.888 ( -0.000 0.000 -1.521) 1.521 4.888 ( -0.000 0.000 -1.521) 1.521 4.904 ( 0.000 -0.000 2.002) 2.002 5.147 ( 0.000 -0.000 7.400) 7.400 5.215 ( 0.000 -0.000 5.702) 5.702 5.215 ( 0.000 -0.000 5.702) 5.702 5.344 ( 0.000 -0.000 15.173) 15.173 5.344 ( 0.000 -0.000 15.173) 15.173 5.621 ( -0.000 0.000 -0.292) 0.292 5.631 ( 0.000 -0.000 14.086) 14.086 5.667 ( -0.000 0.000 -3.214) 3.214 5.667 ( -0.000 0.000 -3.214) 3.214 6.074 ( -0.000 0.000 -13.188) 13.188 6.437 ( -0.000 0.000 -1.675) 1.675 6.674 ( 0.000 -0.000 2.350) 2.350 6.674 ( 0.000 -0.000 2.350) 2.350 6.891 ( 0.000 -0.000 1.582) 1.582 6.891 ( 0.000 -0.000 1.582) 1.582 6.934 ( 0.000 -0.000 6.127) 6.127 6.964 ( -0.000 0.000 -5.470) 5.470 7.090 ( 0.000 -0.000 4.602) 4.602 7.266 ( -0.000 0.000 -3.444) 3.444 7.266 ( -0.000 0.000 -3.444) 3.444 7.530 ( -0.000 0.000 -8.745) 8.745 7.638 ( 0.000 -0.000 3.171) 3.171 8.012 ( 0.000 -0.000 3.924) 3.924 8.231 ( -0.000 0.000 -1.401) 1.401 8.231 ( -0.000 0.000 -1.401) 1.401 8.361 ( -0.000 0.000 -1.433) 1.433 8.762 ( 0.000 -0.000 4.177) 4.177 8.799 ( -0.000 0.000 -5.443) 5.443 8.839 ( 0.000 -0.000 2.297) 2.297 8.839 ( 0.000 -0.000 2.297) 2.297 9.174 ( -0.000 0.000 -2.808) 2.808 9.174 ( -0.000 0.000 -2.808) 2.808 9.457 ( -0.000 0.000 -0.699) 0.699 9.668 ( -0.000 0.000 -19.257) 19.257 9.719 ( 0.000 -0.000 2.376) 2.376 9.719 ( 0.000 -0.000 2.376) 2.376 9.931 ( 0.000 -0.000 5.601) 5.601 10.008 ( 0.000 -0.000 1.733) 1.733 10.008 ( 0.000 -0.000 1.733) 1.733 10.138 ( -0.000 0.000 -0.558) 0.558 10.311 ( -0.000 0.000 -2.980) 2.980 11.075 ( -0.000 0.000 -2.704) 2.704 11.196 ( 0.000 -0.000 3.436) 3.436 11.196 ( 0.000 -0.000 3.436) 3.436 11.263 ( -0.000 0.000 -14.894) 14.894 11.598 ( -0.000 0.000 -5.950) 5.950 11.719 ( 0.000 -0.000 7.935) 7.935 11.892 ( -0.000 0.000 -9.442) 9.442 11.892 ( -0.000 0.000 -9.442) 9.442 12.348 ( 0.000 -0.000 4.681) 4.681 12.862 ( 0.000 -0.000 2.099) 2.099 13.366 ( 0.000 -0.000 16.663) 16.663 13.384 ( -0.000 0.000 -0.623) 0.623 13.384 ( -0.000 0.000 -0.623) 0.623 13.796 ( -0.000 0.000 -1.682) 1.682 13.919 ( -0.000 0.000 -0.951) 0.951 13.919 ( -0.000 0.000 -0.951) 0.951 14.139 ( 0.000 -0.000 2.860) 2.860 14.228 ( -0.000 0.000 -7.085) 7.085 14.228 ( -0.000 0.000 -7.085) 7.085 14.255 ( 0.000 -0.000 10.273) 10.273 14.351 ( 0.000 -0.000 12.831) 12.831 14.954 ( 0.000 -0.000 10.599) 10.599 15.079 ( -0.000 0.000 -4.037) 4.037 15.079 ( -0.000 0.000 -4.037) 4.037 15.585 ( -0.000 0.000 -6.090) 6.090 16.047 ( 0.000 -0.000 17.342) 17.342 16.276 ( 0.000 -0.000 19.184) 19.184 16.276 ( 0.000 -0.000 19.184) 19.184 17.280 ( 0.000 -0.000 4.673) 4.673 17.696 ( 0.000 -0.000 0.881) 0.881 17.696 ( 0.000 -0.000 0.881) 0.881 18.192 ( -0.000 0.000 -12.273) 12.273 ======================= Grid point 56 (35/50) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 0.000 -12.491) 12.491 2.014 ( 0.000 0.000 -9.008) 9.008 2.270 ( -0.000 0.000 1.697) 1.697 2.296 ( 0.000 0.000 -0.900) 0.900 2.426 ( 0.000 0.000 -2.393) 2.393 2.488 ( 0.000 0.000 -0.513) 0.513 2.546 ( -0.000 0.000 -3.760) 3.760 2.652 ( -0.000 -0.000 -1.739) 1.739 2.661 ( 0.000 0.000 -14.490) 14.490 2.803 ( -0.000 0.000 -5.419) 5.419 2.881 ( 0.000 -0.000 2.081) 2.081 2.883 ( -0.000 0.000 -2.799) 2.799 2.950 ( 0.000 -0.000 -6.349) 6.349 2.956 ( -0.000 0.000 -1.037) 1.037 3.001 ( 0.000 0.000 5.168) 5.168 3.031 ( 0.000 0.000 -1.118) 1.118 3.162 ( 0.000 0.000 -4.128) 4.128 3.168 ( 0.000 0.000 -5.715) 5.715 3.326 ( -0.000 -0.000 -21.766) 21.766 3.352 ( 0.000 0.000 -5.346) 5.346 3.385 ( 0.000 0.000 2.312) 2.312 3.429 ( 0.000 0.000 -10.734) 10.734 3.466 ( 0.000 0.000 -14.139) 14.139 3.516 ( 0.000 0.000 -0.843) 0.843 3.648 ( -0.000 0.000 -15.314) 15.314 3.716 ( 0.000 0.000 -0.290) 0.290 3.817 ( 0.000 0.000 5.962) 5.962 3.915 ( 0.000 0.000 2.150) 2.150 3.959 ( -0.000 0.000 0.135) 0.135 4.015 ( 0.000 0.000 -7.274) 7.274 4.165 ( 0.000 0.000 -3.357) 3.357 4.192 ( 0.000 0.000 0.344) 0.344 4.237 ( 0.000 0.000 0.572) 0.572 4.350 ( 0.000 0.000 2.912) 2.912 4.577 ( 0.000 0.000 1.228) 1.228 4.594 ( 0.000 0.000 5.988) 5.988 4.710 ( 0.000 0.000 0.097) 0.097 4.777 ( 0.000 0.000 0.186) 0.186 4.842 ( 0.000 -0.000 -1.278) 1.278 4.952 ( 0.000 0.000 1.536) 1.536 5.019 ( 0.000 -0.000 0.946) 0.946 5.086 ( 0.000 0.000 2.769) 2.769 5.132 ( 0.000 0.000 2.151) 2.151 5.207 ( 0.000 0.000 7.685) 7.685 5.326 ( 0.000 0.000 5.602) 5.602 5.419 ( 0.000 0.000 17.019) 17.019 5.570 ( -0.000 0.000 13.905) 13.905 5.583 ( 0.000 0.000 -5.685) 5.685 5.628 ( 0.000 0.000 2.332) 2.332 5.801 ( 0.000 0.000 -1.452) 1.452 6.097 ( 0.000 0.000 -7.861) 7.861 6.558 ( 0.000 0.000 -0.947) 0.947 6.584 ( -0.000 -0.000 -0.988) 0.988 6.662 ( 0.000 0.000 1.073) 1.073 6.752 ( 0.000 0.000 1.603) 1.603 6.834 ( 0.000 0.000 0.440) 0.440 6.916 ( 0.000 0.000 0.768) 0.768 7.012 ( 0.000 0.000 -0.412) 0.412 7.091 ( 0.000 0.000 -2.021) 2.021 7.218 ( 0.000 0.000 7.640) 7.640 7.349 ( 0.000 0.000 -2.729) 2.729 7.526 ( 0.000 0.000 -10.822) 10.822 7.843 ( 0.000 0.000 3.053) 3.053 8.060 ( 0.000 0.000 7.047) 7.047 8.183 ( 0.000 -0.000 0.996) 0.996 8.201 ( -0.000 0.000 -3.159) 3.159 8.402 ( -0.000 -0.000 -0.772) 0.772 8.415 ( 0.000 0.000 1.230) 1.230 8.707 ( 0.000 0.000 -9.206) 9.206 8.886 ( 0.000 0.000 -4.112) 4.112 9.017 ( 0.000 0.000 -7.589) 7.589 9.244 ( 0.000 -0.000 1.834) 1.834 9.337 ( 0.000 0.000 -1.389) 1.389 9.414 ( 0.000 -0.000 -2.381) 2.381 9.454 ( 0.000 0.000 -5.178) 5.178 9.609 ( -0.000 0.000 0.408) 0.408 9.905 ( -0.000 -0.000 16.182) 16.182 9.916 ( 0.000 0.000 -2.735) 2.735 10.041 ( 0.000 0.000 -10.016) 10.016 10.292 ( 0.000 0.000 3.897) 3.897 10.312 ( 0.000 0.000 5.617) 5.617 10.605 ( 0.000 0.000 -3.749) 3.749 10.798 ( -0.000 0.000 -3.362) 3.362 10.945 ( 0.000 0.000 3.906) 3.906 11.281 ( 0.000 0.000 -0.728) 0.728 11.419 ( 0.000 0.000 -2.138) 2.138 11.658 ( 0.000 0.000 4.066) 4.066 11.658 ( 0.000 0.000 -12.653) 12.653 11.833 ( -0.000 -0.000 -2.856) 2.856 11.928 ( 0.000 0.000 -2.703) 2.703 12.635 ( 0.000 0.000 6.859) 6.859 12.758 ( 0.000 0.000 5.862) 5.862 13.129 ( 0.000 -0.000 -3.042) 3.042 13.366 ( 0.000 0.000 11.624) 11.624 13.387 ( 0.000 0.000 3.826) 3.826 13.614 ( 0.000 0.000 0.532) 0.532 13.935 ( 0.000 0.000 -2.725) 2.725 14.004 ( 0.000 0.000 -7.192) 7.192 14.062 ( 0.000 0.000 1.510) 1.510 14.202 ( 0.000 0.000 -5.722) 5.722 14.273 ( 0.000 0.000 -2.669) 2.669 14.311 ( 0.000 0.000 10.473) 10.473 14.535 ( 0.000 0.000 3.355) 3.355 14.840 ( -0.000 0.000 12.288) 12.288 15.101 ( 0.000 0.000 -10.182) 10.182 15.400 ( 0.000 0.000 6.506) 6.506 15.741 ( 0.000 0.000 8.471) 8.471 15.919 ( 0.000 0.000 8.968) 8.968 15.927 ( -0.000 -0.000 13.213) 13.213 16.360 ( 0.000 0.000 18.676) 18.676 17.300 ( 0.000 0.000 -0.056) 0.056 17.382 ( 0.000 0.000 -6.075) 6.075 17.720 ( 0.000 0.000 2.995) 2.995 18.193 ( 0.000 0.000 -8.979) 8.979 ======================= Grid point 63 (36/50) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 3.954 22.951 8.075) 24.649 1.343 ( -0.072 13.305 38.853) 41.068 1.851 ( -5.350 32.130 3.361) 32.745 1.946 ( -1.767 -0.688 17.247) 17.351 2.067 ( -0.412 3.516 1.906) 4.021 2.171 ( 4.533 -9.711 5.124) 11.879 2.185 ( 1.585 -6.833 11.033) 13.074 2.394 ( 2.395 -6.477 0.562) 6.928 2.489 ( -0.814 -7.545 1.973) 7.841 2.510 ( -2.994 -6.083 8.490) 10.865 2.589 ( -2.632 -4.425 -0.896) 5.226 2.750 ( 1.170 -0.196 1.807) 2.162 2.767 ( 0.216 2.114 4.141) 4.655 2.782 ( -0.619 1.587 5.883) 6.125 2.827 ( -0.567 -1.406 2.215) 2.684 2.951 ( 0.530 4.310 0.243) 4.349 3.067 ( 1.998 3.499 0.400) 4.049 3.140 ( -1.153 -3.624 3.963) 5.492 3.160 ( -1.877 -0.358 0.590) 2.000 3.195 ( 3.671 -0.721 2.190) 4.336 3.328 ( -2.449 -0.765 -3.016) 3.960 3.509 ( 0.078 0.696 -2.764) 2.851 3.552 ( -1.551 0.227 -3.777) 4.090 3.637 ( 5.897 -1.852 -2.826) 6.796 3.676 ( 0.429 5.984 0.938) 6.072 3.849 ( 3.947 0.805 -2.939) 4.986 3.881 ( 1.750 -0.869 -1.254) 2.322 3.970 ( -0.355 -0.481 -1.081) 1.235 3.992 ( -5.296 -4.361 -2.065) 7.164 4.010 ( -0.930 0.593 2.077) 2.352 4.156 ( -1.534 -2.122 -3.125) 4.077 4.224 ( -4.034 -0.886 -0.882) 4.224 4.280 ( -7.444 -3.123 -0.374) 8.082 4.324 ( 6.588 -1.819 -0.885) 6.891 4.433 ( 2.548 3.026 -1.744) 4.323 4.605 ( 1.039 -3.424 0.154) 3.581 4.796 ( 0.776 -1.585 -2.674) 3.204 4.809 ( -2.443 2.693 1.019) 3.776 4.889 ( 1.426 -1.568 -3.636) 4.209 4.973 ( 2.194 -6.864 -3.055) 7.827 5.096 ( -2.969 -2.674 -2.986) 4.988 5.121 ( 4.505 -5.116 2.825) 7.379 5.252 ( -5.494 -3.621 7.660) 10.098 5.318 ( 0.200 -0.394 0.186) 0.480 5.350 ( 3.154 0.793 -1.274) 3.493 5.403 ( -0.158 -2.685 3.828) 4.678 5.601 ( 2.872 -2.428 -2.327) 4.423 5.680 ( -0.176 1.525 -2.907) 3.287 5.750 ( -4.210 -0.708 -1.299) 4.462 5.866 ( -0.911 6.207 5.959) 8.653 5.973 ( 1.235 1.233 -2.069) 2.707 6.545 ( -1.397 5.655 1.336) 5.976 6.585 ( -0.605 0.440 6.339) 6.383 6.665 ( 4.073 -1.590 2.352) 4.965 6.704 ( -1.733 -2.277 3.049) 4.181 6.825 ( 3.625 0.767 -1.995) 4.208 6.907 ( -2.291 -2.058 2.818) 4.174 6.913 ( -1.841 -0.544 2.364) 3.045 7.083 ( 0.675 -3.091 1.382) 3.452 7.200 ( 1.405 0.666 0.553) 1.651 7.390 ( -3.925 -1.290 -1.375) 4.355 7.466 ( 3.581 1.817 -5.986) 7.208 7.696 ( -2.315 5.664 3.861) 7.235 7.888 ( 1.402 -5.772 2.796) 6.565 8.197 ( 0.159 -7.063 -0.124) 7.066 8.298 ( 1.895 0.232 0.006) 1.909 8.475 ( 3.147 -6.094 -6.142) 9.207 8.632 ( -4.720 -5.504 1.196) 7.348 8.687 ( -4.514 4.139 -2.964) 6.804 8.784 ( -1.640 -3.456 -2.295) 4.461 8.908 ( 3.020 3.993 1.800) 5.320 9.035 ( 2.298 3.962 2.721) 5.328 9.120 ( -2.074 -0.868 4.441) 4.977 9.222 ( 1.618 0.754 4.191) 4.556 9.281 ( -1.103 -0.480 2.981) 3.215 9.592 ( -1.914 2.119 0.574) 2.912 9.822 ( 0.496 -3.214 -0.382) 3.274 10.067 ( 10.816 4.837 1.151) 11.904 10.196 ( -4.274 4.750 1.672) 6.605 10.297 ( -1.361 3.385 0.548) 3.690 10.481 ( 1.896 -2.119 -5.300) 6.015 10.594 ( -2.388 2.926 7.148) 8.084 10.727 ( -3.174 5.750 -1.171) 6.671 10.870 ( 4.106 -2.123 6.791) 8.215 11.076 ( -3.459 1.959 1.866) 4.392 11.243 ( 1.876 5.065 0.686) 5.445 11.379 ( -0.402 -13.060 2.688) 13.339 11.467 ( -0.170 -4.495 -2.942) 5.375 11.916 ( -0.269 9.675 1.695) 9.826 12.246 ( 0.539 6.142 -1.521) 6.351 12.643 ( -2.465 -2.653 -1.453) 3.902 12.823 ( 0.082 -7.520 4.007) 8.522 12.970 ( 6.066 5.572 1.735) 8.418 13.142 ( -2.533 0.692 6.950) 7.430 13.431 ( -3.109 -5.500 3.781) 7.362 13.591 ( 4.202 -1.635 4.898) 6.658 13.760 ( -2.635 -3.801 0.263) 4.633 13.888 ( -0.432 2.188 4.173) 4.732 14.062 ( -0.363 -5.872 6.236) 8.574 14.156 ( -0.104 -0.659 -0.254) 0.714 14.168 ( -0.081 -0.394 0.187) 0.443 14.375 ( 0.095 2.611 -0.143) 2.617 14.644 ( -0.212 -0.121 -4.792) 4.798 15.049 ( 5.167 -1.402 -0.965) 5.440 15.476 ( -4.527 13.177 0.041) 13.933 15.843 ( 0.447 0.359 -12.185) 12.199 16.068 ( -1.182 8.686 -14.431) 16.885 16.570 ( 1.542 -6.690 -16.831) 18.177 16.643 ( -0.543 -2.060 -11.836) 12.026 16.837 ( 0.688 -5.558 -10.900) 12.255 17.319 ( -2.016 -0.502 -3.041) 3.683 17.501 ( 1.273 1.480 -0.999) 2.193 17.653 ( 0.032 -3.326 -1.112) 3.508 17.929 ( 0.162 4.802 3.568) 5.985 ======================= Grid point 64 (37/50) ======================= q-point: ( 0.31 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -20.227 -7.882 4.728) 22.217 1.606 ( -2.924 6.902 24.016) 25.158 1.661 ( 9.508 14.798 13.746) 22.323 1.709 ( -3.507 5.758 19.854) 20.967 2.173 ( 2.433 -4.490 0.917) 5.188 2.243 ( 7.089 -9.480 6.058) 13.298 2.268 ( 7.238 -12.307 6.586) 15.724 2.338 ( 11.614 -5.419 13.837) 18.861 2.417 ( 0.154 0.276 1.747) 1.775 2.571 ( 0.015 1.090 -1.566) 1.908 2.624 ( -8.517 -7.393 -0.184) 11.280 2.705 ( 9.265 10.977 -0.627) 14.378 2.802 ( -1.096 2.744 4.897) 5.720 2.830 ( -3.472 0.782 5.607) 6.641 2.871 ( 4.180 10.038 0.482) 10.884 2.902 ( -8.513 -5.552 -0.062) 10.164 3.006 ( -3.773 3.522 4.077) 6.578 3.038 ( -1.443 2.920 2.063) 3.855 3.162 ( -12.057 4.943 -0.273) 13.034 3.245 ( 4.827 -5.404 1.536) 7.407 3.293 ( -2.222 4.209 -0.535) 4.789 3.400 ( -6.141 3.944 -4.072) 8.358 3.541 ( 1.042 1.698 -3.306) 3.860 3.658 ( -6.414 -2.669 -2.236) 7.298 3.762 ( -0.077 1.633 -1.087) 1.963 3.771 ( -0.518 2.718 0.109) 2.769 3.891 ( -2.870 0.678 -0.367) 2.972 3.945 ( 0.181 1.230 -1.074) 1.643 3.999 ( 5.418 -0.603 -3.177) 6.309 4.008 ( 0.303 1.222 -0.556) 1.376 4.127 ( -0.665 -2.363 0.340) 2.478 4.162 ( 1.562 1.757 -2.340) 3.317 4.281 ( 5.429 -2.843 0.156) 6.131 4.439 ( 1.615 -3.205 -5.240) 6.351 4.539 ( 3.493 -4.293 0.690) 5.577 4.571 ( 4.271 -4.589 0.072) 6.270 4.666 ( 6.137 -4.406 -1.351) 7.675 4.775 ( -0.612 -1.555 -1.874) 2.511 4.865 ( 1.100 -1.573 1.503) 2.438 4.916 ( 3.006 -4.663 -2.411) 6.049 5.060 ( 2.950 -0.445 -2.788) 4.083 5.108 ( -4.698 -1.336 6.051) 7.776 5.217 ( 5.054 3.345 1.707) 6.297 5.300 ( 0.183 -3.220 5.056) 5.996 5.355 ( -2.254 0.853 -0.005) 2.410 5.388 ( 0.440 0.015 -1.407) 1.474 5.553 ( -0.865 -1.431 -0.137) 1.678 5.711 ( 2.969 -2.102 -3.175) 4.828 5.741 ( 2.725 0.003 -1.592) 3.156 5.920 ( -2.666 3.140 3.777) 5.589 5.987 ( -2.706 1.924 0.368) 3.340 6.553 ( -2.123 3.782 4.546) 6.283 6.658 ( -1.146 0.341 3.113) 3.335 6.679 ( -4.121 2.913 -0.981) 5.141 6.716 ( 0.523 -1.668 -0.133) 1.753 6.770 ( -1.700 0.230 -0.038) 1.716 6.828 ( -1.010 2.701 7.929) 8.437 6.979 ( 2.746 0.481 -3.050) 4.133 7.011 ( 0.779 -3.057 3.492) 4.706 7.241 ( -4.465 0.121 2.151) 4.957 7.310 ( 2.021 2.861 -1.772) 3.926 7.530 ( 2.762 -4.624 -5.679) 7.827 7.784 ( 4.455 -0.523 2.641) 5.206 7.921 ( 3.086 -7.847 4.605) 9.608 8.033 ( 6.192 -4.091 2.724) 7.905 8.278 ( -6.049 4.408 -1.380) 7.611 8.375 ( 4.377 -5.858 -1.600) 7.486 8.643 ( 2.114 -0.965 -1.314) 2.670 8.665 ( 3.744 -1.285 -5.995) 7.184 8.730 ( -2.406 5.740 -3.671) 7.226 8.998 ( -7.613 2.079 4.027) 8.859 9.012 ( -2.471 4.801 2.701) 6.037 9.140 ( 1.133 -0.913 3.227) 3.540 9.229 ( 0.299 -0.925 5.197) 5.287 9.280 ( 0.099 0.922 3.969) 4.076 9.656 ( 0.615 1.381 -3.752) 4.045 9.782 ( 4.406 -4.090 0.603) 6.041 10.064 ( -10.835 1.870 1.590) 11.109 10.294 ( 6.420 -0.402 -4.969) 8.128 10.354 ( -1.651 -5.217 2.681) 6.093 10.430 ( 4.879 -0.954 -0.153) 4.974 10.662 ( 2.882 -1.756 7.859) 8.553 10.773 ( -2.093 5.714 3.089) 6.824 10.897 ( -3.010 -1.712 -2.326) 4.171 11.089 ( -0.038 3.232 3.588) 4.830 11.184 ( 1.100 -1.290 6.356) 6.578 11.290 ( -4.511 3.746 1.275) 6.000 11.429 ( 0.806 -1.183 -1.629) 2.169 12.038 ( -7.498 7.633 0.949) 10.741 12.305 ( -5.852 5.371 -2.489) 8.324 12.562 ( 5.311 -3.295 1.991) 6.560 12.791 ( 9.221 -9.966 -0.943) 13.610 13.045 ( -5.683 0.051 0.879) 5.751 13.138 ( 3.443 0.149 7.775) 8.504 13.371 ( 1.324 1.581 6.371) 6.697 13.571 ( -3.151 -4.182 4.302) 6.777 13.676 ( 5.022 1.057 1.409) 5.322 13.947 ( 4.039 1.128 7.720) 8.785 13.969 ( -1.708 -3.624 4.981) 6.392 14.148 ( -0.186 0.265 -0.282) 0.429 14.165 ( 0.235 -0.001 0.318) 0.395 14.437 ( 1.685 -1.396 -2.588) 3.389 14.653 ( 0.369 0.100 -6.359) 6.371 15.000 ( -7.001 3.358 -0.283) 7.770 15.724 ( 3.136 7.545 -1.160) 8.252 15.765 ( -4.594 -3.299 -3.430) 6.614 16.148 ( -6.693 7.914 -14.134) 17.527 16.514 ( -0.893 -3.119 -20.753) 21.005 16.604 ( 1.669 1.169 -17.482) 17.601 16.781 ( 5.826 -6.616 -10.783) 13.928 17.320 ( 0.336 1.356 -3.231) 3.520 17.490 ( -3.423 2.182 -2.565) 4.802 17.645 ( 4.508 -4.426 -0.740) 6.360 17.972 ( -2.727 2.593 3.919) 5.433 ======================= Grid point 68 (38/50) ======================= q-point: ( 0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 2.776 13.994 9.839) 17.330 2.069 ( -9.512 -4.473 4.123) 11.291 2.160 ( 7.327 -4.197 4.476) 9.557 2.288 ( 0.626 -8.407 4.293) 9.460 2.356 ( 0.317 -2.081 -6.473) 6.807 2.411 ( -1.256 -2.730 -2.939) 4.203 2.473 ( -0.348 -0.703 -1.090) 1.343 2.576 ( -0.537 -4.087 2.230) 4.687 2.651 ( 0.077 1.631 14.753) 14.843 2.849 ( -0.096 5.709 3.553) 6.725 2.867 ( -1.105 0.171 7.414) 7.498 2.875 ( 0.625 2.749 9.216) 9.638 2.929 ( 0.696 0.848 1.359) 1.747 3.008 ( -0.068 4.648 3.301) 5.701 3.149 ( 0.476 2.033 -1.049) 2.337 3.174 ( 0.415 6.671 5.046) 8.375 3.241 ( -0.976 2.145 1.310) 2.696 3.248 ( -0.984 0.069 -3.596) 3.729 3.367 ( 0.917 2.476 13.898) 14.147 3.386 ( -1.251 -0.234 19.534) 19.576 3.412 ( 0.043 -2.926 18.608) 18.836 3.442 ( 0.088 -1.922 11.313) 11.475 3.478 ( 7.877 -0.295 -1.272) 7.984 3.565 ( -5.496 3.698 3.103) 7.315 3.684 ( -1.468 -0.005 -2.639) 3.020 3.696 ( 0.290 -5.352 -2.019) 5.728 3.795 ( 1.923 -1.933 -1.508) 3.115 3.916 ( 0.203 1.766 -0.423) 1.827 3.943 ( -0.560 2.999 1.150) 3.261 4.058 ( -1.612 1.699 -0.750) 2.459 4.119 ( -1.074 -0.029 0.671) 1.267 4.164 ( -0.777 -3.237 1.111) 3.510 4.182 ( 1.163 -5.042 -0.732) 5.226 4.223 ( 0.846 -2.399 1.857) 3.150 4.452 ( 0.922 2.317 2.098) 3.259 4.588 ( -0.875 -4.215 -2.303) 4.883 4.649 ( 0.408 -5.014 4.804) 6.956 4.800 ( 1.892 1.886 1.071) 2.878 4.855 ( -3.151 -2.280 3.478) 5.218 4.870 ( 1.035 2.219 -4.703) 5.302 4.970 ( -0.066 -2.655 0.645) 2.733 5.071 ( -0.087 -0.181 -2.720) 2.727 5.196 ( 3.001 -0.748 -6.867) 7.531 5.204 ( -2.575 -1.175 -7.806) 8.303 5.284 ( -0.348 -0.938 -9.289) 9.343 5.291 ( 0.422 -1.447 -9.442) 9.562 5.580 ( -0.221 0.164 -0.583) 0.645 5.595 ( 0.450 -0.171 -9.749) 9.761 5.622 ( -0.239 -2.747 3.608) 4.541 5.701 ( 0.004 1.595 -1.675) 2.313 6.342 ( -0.102 6.431 8.575) 10.719 6.612 ( -1.480 2.832 -0.782) 3.290 6.644 ( 1.822 1.941 0.447) 2.699 6.663 ( 0.509 0.731 -2.165) 2.341 6.724 ( -0.344 -0.757 -5.458) 5.521 6.852 ( -1.869 -0.450 1.334) 2.340 6.880 ( 0.466 -2.081 1.773) 2.773 6.975 ( 0.977 -4.640 -3.959) 6.177 7.105 ( -0.252 2.319 1.776) 2.932 7.267 ( 1.394 0.386 0.812) 1.659 7.295 ( -1.512 -1.945 -0.408) 2.498 7.545 ( -0.095 4.163 3.455) 5.410 7.780 ( 0.306 0.835 0.241) 0.922 8.037 ( 5.680 4.016 0.005) 6.956 8.186 ( -4.678 -1.154 0.815) 4.887 8.231 ( -2.942 -1.424 3.506) 4.793 8.394 ( 2.361 -4.957 3.878) 6.722 8.569 ( -0.820 -3.334 1.698) 3.830 8.596 ( 0.337 -4.261 1.591) 4.561 8.753 ( -1.762 -3.912 0.216) 4.296 9.041 ( 2.515 7.112 0.282) 7.549 9.099 ( -0.947 1.655 0.994) 2.150 9.296 ( 0.396 -0.429 3.205) 3.258 9.427 ( -0.067 -1.759 5.959) 6.214 9.450 ( -0.354 -4.004 1.882) 4.438 9.661 ( 0.557 3.325 -3.426) 4.806 9.807 ( 1.462 -1.877 11.905) 12.140 9.859 ( -0.905 -1.239 -14.178) 14.261 9.936 ( -0.810 -4.907 -6.320) 8.042 10.377 ( -0.106 4.570 4.482) 6.402 10.412 ( 0.474 1.262 1.391) 1.937 10.716 ( 2.631 11.087 -3.526) 11.928 10.859 ( 3.617 1.034 -1.120) 3.925 10.945 ( -7.519 -3.895 -3.814) 9.287 11.240 ( 1.094 -5.503 -0.048) 5.610 11.474 ( -0.613 -6.898 5.667) 8.948 11.543 ( -0.324 4.701 5.551) 7.281 11.854 ( -0.546 13.063 12.286) 17.942 12.034 ( 1.823 1.334 -1.370) 2.642 12.148 ( -1.184 15.125 0.173) 15.172 12.536 ( 1.380 -7.360 -1.792) 7.699 12.641 ( -0.231 -6.191 0.571) 6.222 13.106 ( -0.007 -0.298 -10.782) 10.786 13.285 ( 1.236 -0.386 -0.012) 1.295 13.343 ( -1.632 -4.753 -4.527) 6.763 13.772 ( 2.942 3.034 0.810) 4.303 13.820 ( -3.573 -1.495 4.626) 6.034 14.012 ( -0.206 -0.443 -5.637) 5.658 14.087 ( 0.018 1.365 -3.520) 3.776 14.149 ( -0.101 2.403 -1.651) 2.918 14.346 ( 0.403 1.587 2.534) 3.017 14.418 ( 0.798 -0.209 0.028) 0.825 14.425 ( 0.107 -2.168 5.608) 6.013 14.792 ( -0.142 -1.760 -11.610) 11.743 15.321 ( -0.061 8.268 -0.950) 8.322 15.404 ( 0.114 5.255 -10.387) 11.641 15.652 ( -0.318 -9.252 -15.974) 18.463 15.838 ( -0.864 7.890 -2.936) 8.463 16.035 ( 0.956 -7.789 -10.488) 13.098 16.157 ( -0.045 -6.361 -12.952) 14.429 17.256 ( 0.437 0.559 -0.715) 1.007 17.520 ( -3.060 -0.271 2.649) 4.056 17.555 ( 2.575 -3.299 1.369) 4.404 18.255 ( 0.027 1.817 6.897) 7.133 ======================= Grid point 72 (39/50) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.000 0.000 -17.959) 17.959 1.693 ( -0.000 0.000 -17.959) 17.959 2.249 ( -0.000 0.000 -3.985) 3.985 2.267 ( 0.000 -0.000 3.258) 3.258 2.326 ( 0.000 -0.000 5.047) 5.047 2.326 ( 0.000 -0.000 5.047) 5.047 2.728 ( 0.000 -0.000 11.951) 11.951 2.739 ( 0.000 -0.000 3.753) 3.753 2.892 ( -0.000 0.000 -2.129) 2.129 2.892 ( -0.000 0.000 -2.129) 2.129 2.956 ( -0.000 0.000 -6.731) 6.731 2.991 ( -0.000 0.000 -2.546) 2.546 2.991 ( -0.000 0.000 -2.546) 2.546 3.085 ( -0.000 0.000 -3.292) 3.292 3.085 ( -0.000 0.000 -3.292) 3.292 3.088 ( 0.000 -0.000 1.107) 1.107 3.123 ( -0.000 0.000 -1.455) 1.455 3.359 ( -0.000 0.000 -2.023) 2.023 3.393 ( 0.000 -0.000 0.062) 0.062 3.393 ( 0.000 -0.000 0.062) 0.062 3.577 ( 0.000 -0.000 1.018) 1.018 3.685 ( -0.000 0.000 -0.617) 0.617 3.699 ( 0.000 -0.000 0.447) 0.447 3.808 ( 0.000 -0.000 3.460) 3.460 3.813 ( -0.000 0.000 -9.718) 9.718 3.822 ( -0.000 0.000 -5.506) 5.506 3.822 ( -0.000 0.000 -5.506) 5.506 3.916 ( 0.000 -0.000 2.254) 2.254 4.006 ( 0.000 -0.000 0.024) 0.024 4.006 ( 0.000 -0.000 0.024) 0.024 4.010 ( -0.000 0.000 -5.055) 5.055 4.190 ( -0.000 0.000 -3.946) 3.946 4.317 ( 0.000 -0.000 0.571) 0.571 4.420 ( -0.000 0.000 -17.719) 17.719 4.504 ( -0.000 0.000 -2.958) 2.958 4.504 ( -0.000 0.000 -2.958) 2.958 4.748 ( 0.000 -0.000 2.853) 2.853 4.882 ( -0.000 0.000 -1.832) 1.832 4.888 ( 0.000 -0.000 3.021) 3.021 4.911 ( 0.000 -0.000 2.726) 2.726 4.911 ( 0.000 -0.000 2.726) 2.726 4.972 ( 0.000 -0.000 11.326) 11.326 4.972 ( 0.000 -0.000 11.326) 11.326 5.037 ( 0.000 -0.000 2.139) 2.139 5.164 ( 0.000 -0.000 3.059) 3.059 5.164 ( 0.000 -0.000 3.059) 3.059 5.304 ( 0.000 -0.000 18.017) 18.017 5.639 ( -0.000 0.000 -1.680) 1.680 5.700 ( -0.000 0.000 -0.049) 0.049 5.700 ( -0.000 0.000 -0.049) 0.049 6.336 ( -0.000 0.000 -12.823) 12.823 6.485 ( -0.000 0.000 -3.306) 3.306 6.640 ( 0.000 -0.000 1.086) 1.086 6.640 ( 0.000 -0.000 1.086) 1.086 6.816 ( 0.000 -0.000 5.675) 5.675 6.866 ( 0.000 -0.000 0.616) 0.616 6.866 ( 0.000 -0.000 0.616) 0.616 6.983 ( 0.000 -0.000 6.595) 6.595 7.060 ( -0.000 0.000 -4.245) 4.245 7.311 ( -0.000 0.000 -0.766) 0.766 7.311 ( -0.000 0.000 -0.766) 0.766 7.552 ( 0.000 -0.000 3.630) 3.630 7.729 ( -0.000 0.000 -11.138) 11.138 7.955 ( 0.000 -0.000 2.917) 2.917 8.269 ( -0.000 0.000 -1.806) 1.806 8.269 ( -0.000 0.000 -1.806) 1.806 8.401 ( -0.000 0.000 -2.294) 2.294 8.676 ( 0.000 -0.000 4.034) 4.034 8.740 ( 0.000 -0.000 6.118) 6.118 8.740 ( 0.000 -0.000 6.118) 6.118 8.948 ( -0.000 0.000 -9.490) 9.490 9.312 ( -0.000 0.000 -9.697) 9.697 9.312 ( -0.000 0.000 -9.697) 9.697 9.452 ( 0.000 -0.000 1.277) 1.277 9.476 ( 0.000 -0.000 14.933) 14.933 9.476 ( 0.000 -0.000 14.933) 14.933 9.740 ( 0.000 -0.000 7.558) 7.558 10.108 ( 0.000 -0.000 4.420) 4.420 10.133 ( -0.000 0.000 -19.303) 19.303 10.199 ( -0.000 0.000 -13.681) 13.681 10.199 ( -0.000 0.000 -13.681) 13.681 10.288 ( 0.000 -0.000 3.522) 3.522 11.067 ( 0.000 -0.000 8.495) 8.495 11.067 ( 0.000 -0.000 8.495) 8.495 11.167 ( -0.000 0.000 -7.067) 7.067 11.272 ( 0.000 -0.000 8.435) 8.435 11.678 ( -0.000 0.000 -1.383) 1.383 11.951 ( -0.000 0.000 -26.221) 26.221 12.124 ( -0.000 0.000 -12.882) 12.882 12.124 ( -0.000 0.000 -12.882) 12.882 12.243 ( 0.000 -0.000 3.901) 3.901 12.712 ( 0.000 -0.000 15.340) 15.340 13.020 ( 0.000 -0.000 17.569) 17.569 13.345 ( 0.000 -0.000 3.348) 3.348 13.345 ( 0.000 -0.000 3.348) 3.348 13.796 ( 0.000 -0.000 2.277) 2.277 13.898 ( 0.000 -0.000 1.839) 1.839 13.898 ( 0.000 -0.000 1.839) 1.839 13.953 ( 0.000 -0.000 4.053) 4.053 14.124 ( 0.000 -0.000 3.124) 3.124 14.316 ( -0.000 0.000 -2.541) 2.541 14.366 ( -0.000 0.000 -5.801) 5.801 14.366 ( -0.000 0.000 -5.801) 5.801 14.801 ( 0.000 -0.000 6.310) 6.310 15.227 ( -0.000 0.000 -9.379) 9.379 15.227 ( -0.000 0.000 -9.379) 9.379 15.734 ( 0.000 -0.000 13.898) 13.898 15.754 ( -0.000 0.000 -9.289) 9.289 15.932 ( 0.000 -0.000 14.310) 14.310 15.932 ( 0.000 -0.000 14.310) 14.310 17.221 ( 0.000 -0.000 1.245) 1.245 17.663 ( 0.000 -0.000 2.668) 2.668 17.663 ( 0.000 -0.000 2.668) 2.668 18.352 ( -0.000 0.000 -4.253) 4.253 ======================= Grid point 74 (40/50) ======================= q-point: (-0.22 -0.22 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 0.000 -10.510) 10.510 2.174 ( 0.000 -0.000 -6.357) 6.357 2.195 ( -0.000 0.000 6.040) 6.040 2.298 ( 0.000 0.000 0.987) 0.987 2.455 ( 0.000 0.000 2.033) 2.033 2.483 ( 0.000 0.000 -3.974) 3.974 2.562 ( 0.000 0.000 2.589) 2.589 2.674 ( 0.000 0.000 -0.624) 0.624 2.812 ( -0.000 -0.000 -1.427) 1.427 2.817 ( 0.000 0.000 0.471) 0.471 2.884 ( -0.000 0.000 5.095) 5.095 2.937 ( 0.000 0.000 -9.154) 9.154 2.995 ( 0.000 0.000 -4.389) 4.389 3.024 ( 0.000 -0.000 -2.081) 2.081 3.026 ( -0.000 0.000 -1.067) 1.067 3.058 ( -0.000 0.000 -2.322) 2.322 3.114 ( 0.000 -0.000 3.298) 3.298 3.159 ( 0.000 0.000 2.430) 2.430 3.212 ( 0.000 0.000 6.914) 6.914 3.425 ( 0.000 0.000 1.305) 1.305 3.529 ( 0.000 0.000 -7.799) 7.799 3.667 ( 0.000 -0.000 -7.269) 7.269 3.677 ( -0.000 0.000 6.871) 6.871 3.684 ( 0.000 -0.000 -3.057) 3.057 3.783 ( -0.000 -0.000 -3.064) 3.064 3.789 ( 0.000 0.000 -11.433) 11.433 3.892 ( -0.000 0.000 -3.016) 3.016 3.898 ( 0.000 -0.000 0.001) 0.001 4.048 ( 0.000 0.000 -10.676) 10.676 4.162 ( 0.000 0.000 0.482) 0.482 4.214 ( -0.000 0.000 -9.893) 9.893 4.250 ( -0.000 0.000 -4.497) 4.497 4.255 ( 0.000 -0.000 3.218) 3.218 4.369 ( 0.000 0.000 -8.476) 8.476 4.531 ( -0.000 -0.000 -4.209) 4.209 4.543 ( 0.000 0.000 2.682) 2.682 4.707 ( 0.000 0.000 -0.761) 0.761 4.786 ( 0.000 0.000 -0.090) 0.090 4.865 ( 0.000 0.000 5.862) 5.862 4.910 ( 0.000 -0.000 -4.529) 4.529 5.011 ( 0.000 0.000 5.137) 5.137 5.015 ( -0.000 -0.000 8.390) 8.390 5.036 ( 0.000 -0.000 8.799) 8.799 5.044 ( 0.000 0.000 11.021) 11.021 5.106 ( 0.000 0.000 -2.922) 2.922 5.219 ( 0.000 0.000 6.482) 6.482 5.293 ( 0.000 0.000 8.770) 8.770 5.612 ( 0.000 0.000 0.254) 0.254 5.703 ( 0.000 0.000 -5.591) 5.591 5.787 ( 0.000 0.000 2.710) 2.710 6.205 ( 0.000 0.000 -2.731) 2.731 6.592 ( 0.000 0.000 -1.837) 1.837 6.621 ( 0.000 -0.000 -2.825) 2.825 6.647 ( 0.000 0.000 0.395) 0.395 6.690 ( -0.000 -0.000 3.906) 3.906 6.838 ( 0.000 0.000 -1.961) 1.961 6.938 ( -0.000 0.000 -2.360) 2.360 6.988 ( 0.000 -0.000 2.350) 2.350 7.007 ( -0.000 0.000 7.446) 7.446 7.184 ( 0.000 0.000 -1.495) 1.495 7.396 ( 0.000 0.000 -1.466) 1.466 7.729 ( 0.000 0.000 -9.662) 9.662 7.797 ( 0.000 0.000 1.285) 1.285 7.904 ( 0.000 0.000 8.388) 8.388 8.156 ( 0.000 0.000 1.102) 1.102 8.285 ( -0.000 0.000 -4.594) 4.594 8.369 ( -0.000 -0.000 3.622) 3.622 8.403 ( 0.000 0.000 0.208) 0.208 8.890 ( 0.000 0.000 -9.614) 9.614 9.084 ( -0.000 -0.000 0.896) 0.896 9.113 ( 0.000 0.000 -6.857) 6.857 9.159 ( -0.000 -0.000 -6.238) 6.238 9.307 ( 0.000 0.000 3.515) 3.515 9.435 ( 0.000 -0.000 13.148) 13.148 9.446 ( 0.000 0.000 -0.874) 0.874 9.639 ( 0.000 0.000 -1.405) 1.405 9.660 ( 0.000 0.000 2.779) 2.779 9.924 ( 0.000 -0.000 0.210) 0.210 10.235 ( 0.000 0.000 1.353) 1.353 10.247 ( 0.000 0.000 2.078) 2.078 10.326 ( 0.000 0.000 -14.842) 14.842 10.688 ( 0.000 0.000 10.463) 10.463 10.810 ( -0.000 -0.000 -17.340) 17.340 10.993 ( 0.000 0.000 -4.780) 4.780 11.240 ( -0.000 0.000 24.877) 24.877 11.272 ( 0.000 0.000 1.371) 1.371 11.468 ( 0.000 0.000 -2.171) 2.171 11.732 ( -0.000 0.000 1.323) 1.323 12.028 ( 0.000 0.000 -3.809) 3.809 12.180 ( 0.000 0.000 -20.265) 20.265 12.509 ( 0.000 0.000 4.478) 4.478 12.542 ( 0.000 0.000 15.654) 15.654 13.188 ( 0.000 -0.000 3.999) 3.999 13.205 ( 0.000 0.000 -4.622) 4.622 13.300 ( 0.000 0.000 4.844) 4.844 13.585 ( 0.000 0.000 1.835) 1.835 13.994 ( 0.000 0.000 -3.209) 3.209 14.041 ( 0.000 0.000 1.254) 1.254 14.051 ( 0.000 0.000 -0.752) 0.752 14.124 ( 0.000 0.000 6.537) 6.537 14.310 ( 0.000 0.000 -0.813) 0.813 14.340 ( 0.000 0.000 -6.205) 6.205 14.447 ( 0.000 -0.000 5.159) 5.159 14.725 ( -0.000 0.000 1.951) 1.951 15.324 ( 0.000 0.000 -8.612) 8.612 15.366 ( 0.000 0.000 -2.038) 2.038 15.610 ( 0.000 0.000 3.514) 3.514 15.754 ( 0.000 0.000 0.549) 0.549 15.811 ( -0.000 0.000 2.805) 2.805 15.981 ( 0.000 -0.000 18.852) 18.852 17.305 ( 0.000 0.000 -0.205) 0.205 17.521 ( 0.000 0.000 -7.201) 7.201 17.643 ( 0.000 0.000 5.049) 5.049 18.321 ( 0.000 0.000 -3.555) 3.555 ======================= Grid point 81 (41/50) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.068 23.658 -0.000) 23.658 0.995 ( 4.570 25.817 -0.000) 26.218 1.742 ( -0.877 -7.194 0.000) 7.247 1.831 ( -6.902 38.501 -0.000) 39.114 2.035 ( 2.378 -7.258 0.000) 7.637 2.053 ( -0.712 3.388 -0.000) 3.462 2.156 ( 4.052 -10.310 0.000) 11.077 2.390 ( 2.567 -7.440 0.000) 7.871 2.418 ( -2.640 -8.160 0.000) 8.576 2.472 ( -0.997 -9.163 0.000) 9.217 2.606 ( -2.249 -3.259 0.000) 3.960 2.674 ( 0.291 -0.986 0.000) 1.028 2.722 ( 0.966 6.800 -0.000) 6.869 2.764 ( 0.126 0.771 -0.000) 0.782 2.819 ( -1.741 -1.592 -0.000) 2.359 2.951 ( 0.054 4.777 -0.000) 4.778 3.067 ( 2.717 3.786 -0.000) 4.660 3.095 ( -1.068 -3.921 0.000) 4.064 3.151 ( 1.128 0.388 0.000) 1.193 3.179 ( 0.427 -0.552 0.000) 0.698 3.360 ( -3.490 -0.925 -0.000) 3.611 3.540 ( 0.131 -0.348 0.000) 0.372 3.586 ( 0.323 0.595 -0.000) 0.677 3.657 ( -0.149 8.580 -0.000) 8.581 3.674 ( 6.063 -4.476 0.000) 7.537 3.883 ( 5.324 -1.122 0.000) 5.441 3.892 ( 1.635 0.896 0.000) 1.864 3.975 ( -2.379 1.591 -0.000) 2.862 3.985 ( 1.157 0.138 0.000) 1.165 4.018 ( -7.032 -4.968 -0.000) 8.610 4.187 ( 4.631 -1.411 0.000) 4.841 4.253 ( -6.194 -2.295 -0.000) 6.606 4.264 ( -15.549 -2.386 -0.000) 15.731 4.340 ( 10.234 -3.469 0.000) 10.806 4.450 ( 3.069 4.425 -0.000) 5.385 4.606 ( 1.106 -4.064 0.000) 4.211 4.792 ( -2.353 4.300 -0.000) 4.902 4.839 ( -1.205 -3.785 0.000) 3.972 4.949 ( 1.554 -3.944 0.000) 4.240 5.023 ( 4.543 -2.964 0.000) 5.424 5.050 ( 7.227 -11.747 0.000) 13.792 5.131 ( -3.461 -0.876 -0.000) 3.570 5.150 ( -6.148 -3.563 -0.000) 7.106 5.330 ( -0.061 -4.544 0.000) 4.545 5.355 ( -1.970 1.163 -0.000) 2.287 5.367 ( 2.758 1.302 0.000) 3.050 5.625 ( 5.250 -3.219 0.000) 6.158 5.715 ( -1.064 2.953 -0.000) 3.139 5.755 ( -6.456 -1.730 -0.000) 6.684 5.801 ( -0.951 6.524 -0.000) 6.593 5.978 ( 1.523 0.963 0.000) 1.802 6.445 ( -1.873 4.489 -0.000) 4.864 6.565 ( 0.368 7.527 -0.000) 7.536 6.633 ( 4.000 -1.053 0.000) 4.136 6.673 ( -1.108 -3.351 0.000) 3.530 6.850 ( 3.906 0.844 0.000) 3.996 6.872 ( -0.071 -2.761 0.000) 2.762 6.890 ( -2.784 -0.258 -0.000) 2.796 7.069 ( -1.421 -3.073 0.000) 3.386 7.203 ( 2.102 0.104 0.000) 2.104 7.406 ( -4.221 -1.237 -0.000) 4.398 7.552 ( 3.497 -0.641 0.000) 3.555 7.632 ( -1.260 6.955 -0.000) 7.068 7.854 ( -0.797 -6.911 0.000) 6.956 8.198 ( 3.178 -9.794 0.000) 10.297 8.301 ( 0.899 2.669 -0.000) 2.816 8.541 ( -0.553 -12.325 0.000) 12.338 8.653 ( -1.412 -1.860 0.000) 2.335 8.717 ( -0.087 -0.995 0.000) 0.999 8.805 ( -4.076 8.702 -0.000) 9.610 8.952 ( 1.341 6.107 -0.000) 6.253 8.963 ( -2.008 -5.725 0.000) 6.067 9.079 ( 1.185 -0.364 0.000) 1.240 9.151 ( 0.979 1.861 -0.000) 2.103 9.247 ( -1.184 -0.973 -0.000) 1.533 9.554 ( -5.669 7.699 -0.000) 9.561 9.826 ( 1.358 -3.065 0.000) 3.353 10.077 ( 17.915 5.088 0.000) 18.623 10.140 ( 1.207 6.618 -0.000) 6.727 10.307 ( -10.289 3.432 -0.000) 10.846 10.481 ( -0.505 -1.640 0.000) 1.716 10.520 ( 0.870 -4.189 0.000) 4.278 10.707 ( 0.111 7.144 -0.000) 7.145 10.862 ( -0.972 0.184 -0.000) 0.989 11.078 ( -2.468 1.006 -0.000) 2.665 11.246 ( 2.228 4.690 -0.000) 5.193 11.347 ( -0.648 -15.862 0.000) 15.875 11.507 ( 0.044 -4.461 0.000) 4.461 11.893 ( -0.414 10.271 -0.000) 10.279 12.243 ( 0.903 6.115 -0.000) 6.182 12.650 ( -7.719 0.353 -0.000) 7.727 12.727 ( 7.732 -5.880 0.000) 9.714 13.023 ( -0.058 1.431 -0.000) 1.433 13.109 ( 0.022 -1.576 0.000) 1.576 13.334 ( -1.806 -2.248 0.000) 2.884 13.535 ( 4.511 -3.425 0.000) 5.663 13.757 ( -2.987 -4.140 0.000) 5.105 13.827 ( -0.893 1.452 -0.000) 1.705 13.996 ( 0.305 -7.219 0.000) 7.226 14.161 ( 0.167 -0.779 0.000) 0.797 14.168 ( -0.162 -0.556 0.000) 0.579 14.377 ( -1.589 4.586 -0.000) 4.853 14.696 ( 0.019 2.036 -0.000) 2.036 15.060 ( 6.521 -1.418 0.000) 6.673 15.475 ( -5.500 12.965 -0.000) 14.083 15.912 ( -0.185 -2.778 0.000) 2.784 16.215 ( 0.602 8.107 -0.000) 8.129 16.758 ( -1.130 1.562 -0.000) 1.928 16.811 ( 1.483 -5.634 0.000) 5.825 16.960 ( -0.179 -5.552 0.000) 5.555 17.358 ( -2.510 0.891 -0.000) 2.664 17.515 ( 2.844 1.481 0.000) 3.206 17.666 ( -0.665 -3.060 0.000) 3.131 17.898 ( 0.195 4.172 -0.000) 4.177 ======================= Grid point 82 (42/50) ======================= q-point: ( 0.25 -0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.261 9.165 -0.000) 13.029 1.437 ( -4.994 5.559 -0.000) 7.472 1.515 ( -22.166 -8.992 -0.000) 23.920 1.621 ( 14.397 19.162 -0.000) 23.967 2.148 ( 1.758 -15.170 0.000) 15.272 2.166 ( 2.451 -5.386 0.000) 5.917 2.188 ( 17.839 -4.397 0.000) 18.373 2.233 ( 11.262 -12.380 0.000) 16.737 2.404 ( 0.541 0.651 -0.000) 0.847 2.588 ( -0.281 0.605 -0.000) 0.667 2.631 ( -9.915 -7.347 -0.000) 12.340 2.717 ( 9.245 12.324 -0.000) 15.406 2.741 ( -2.009 3.753 -0.000) 4.257 2.772 ( -5.067 2.555 -0.000) 5.674 2.870 ( 4.909 10.249 -0.000) 11.364 2.905 ( -9.141 -5.516 -0.000) 10.677 2.958 ( -3.532 3.980 -0.000) 5.321 3.026 ( -1.971 1.989 -0.000) 2.801 3.166 ( -11.290 4.857 -0.000) 12.290 3.229 ( 5.157 -5.429 0.000) 7.488 3.299 ( -2.544 4.564 -0.000) 5.225 3.442 ( -6.739 3.263 -0.000) 7.488 3.574 ( 1.300 2.510 -0.000) 2.827 3.684 ( -7.018 -4.880 -0.000) 8.548 3.749 ( -4.377 4.793 -0.000) 6.491 3.788 ( 4.640 1.236 0.000) 4.801 3.887 ( -4.264 2.173 -0.000) 4.785 3.968 ( 0.369 -0.791 0.000) 0.872 4.006 ( 1.753 1.692 0.000) 2.437 4.036 ( 5.566 -0.674 0.000) 5.607 4.125 ( -1.072 -1.714 0.000) 2.022 4.201 ( 0.690 1.747 -0.000) 1.878 4.268 ( 6.706 -3.931 0.000) 7.773 4.516 ( -4.616 1.651 -0.000) 4.902 4.533 ( 2.458 -7.195 0.000) 7.604 4.548 ( 11.564 -5.231 0.000) 12.692 4.681 ( 5.624 -6.129 0.000) 8.319 4.812 ( 3.354 0.973 0.000) 3.493 4.843 ( -0.011 -3.822 0.000) 3.822 4.958 ( 2.389 -6.051 0.000) 6.506 5.009 ( -5.660 -1.415 -0.000) 5.834 5.118 ( 6.484 -2.556 0.000) 6.970 5.133 ( 6.029 -0.799 0.000) 6.081 5.273 ( -3.081 2.540 -0.000) 3.993 5.365 ( -1.943 1.747 -0.000) 2.613 5.403 ( 0.375 -0.797 0.000) 0.881 5.551 ( -2.335 -0.820 -0.000) 2.475 5.737 ( -1.568 2.359 -0.000) 2.832 5.759 ( 7.968 -4.048 0.000) 8.937 5.865 ( -3.516 4.192 -0.000) 5.471 5.986 ( -2.524 1.472 -0.000) 2.922 6.492 ( -2.163 4.908 -0.000) 5.363 6.618 ( -1.626 -1.643 0.000) 2.312 6.696 ( -3.819 3.303 -0.000) 5.049 6.719 ( -5.982 -2.608 -0.000) 6.526 6.741 ( 4.742 3.467 0.000) 5.874 6.775 ( -2.104 1.665 -0.000) 2.683 6.963 ( 0.824 -4.194 0.000) 4.274 7.012 ( 3.281 1.384 0.000) 3.561 7.228 ( -4.838 0.221 -0.000) 4.843 7.330 ( 2.094 3.077 -0.000) 3.722 7.600 ( 5.482 -7.518 0.000) 9.304 7.745 ( 2.689 -1.491 0.000) 3.075 7.867 ( 7.318 -4.839 0.000) 8.773 8.006 ( 3.829 -7.643 0.000) 8.548 8.297 ( -5.935 5.440 -0.000) 8.050 8.392 ( 5.484 -5.624 0.000) 7.855 8.663 ( 0.266 -0.469 0.000) 0.539 8.758 ( 3.222 0.328 0.000) 3.238 8.809 ( -0.851 -0.481 -0.000) 0.977 8.912 ( -6.158 10.148 -0.000) 11.871 8.979 ( -3.363 2.930 -0.000) 4.461 9.102 ( -0.681 -2.977 0.000) 3.054 9.162 ( -1.282 1.398 -0.000) 1.896 9.237 ( -0.287 1.607 -0.000) 1.632 9.707 ( 1.731 7.022 -0.000) 7.232 9.761 ( 6.223 -6.784 0.000) 9.206 10.043 ( -16.265 0.004 -0.000) 16.265 10.296 ( -1.333 -4.380 0.000) 4.578 10.361 ( 6.287 -0.849 0.000) 6.344 10.471 ( 10.045 -3.419 0.000) 10.611 10.482 ( 2.663 -3.427 0.000) 4.340 10.760 ( -7.044 5.625 -0.000) 9.014 10.942 ( 2.060 1.234 0.000) 2.402 11.076 ( -2.914 3.011 -0.000) 4.190 11.126 ( 3.391 -3.470 0.000) 4.852 11.280 ( -5.861 4.560 -0.000) 7.426 11.453 ( 2.564 -2.692 0.000) 3.718 12.025 ( -7.715 8.010 -0.000) 11.121 12.313 ( -7.053 6.245 -0.000) 9.420 12.534 ( 4.020 -2.768 0.000) 4.881 12.793 ( 9.016 -9.291 0.000) 12.947 13.063 ( 0.950 -0.308 0.000) 0.998 13.068 ( 0.514 -1.119 0.000) 1.231 13.264 ( -3.887 4.255 -0.000) 5.763 13.533 ( -1.585 -6.643 0.000) 6.829 13.657 ( 8.744 -0.589 0.000) 8.764 13.864 ( 2.794 1.345 0.000) 3.101 13.919 ( -1.057 -3.858 0.000) 4.000 14.151 ( 0.144 -0.250 0.000) 0.289 14.163 ( 0.366 -0.266 0.000) 0.452 14.462 ( 1.902 0.053 0.000) 1.903 14.724 ( -0.928 1.035 -0.000) 1.390 15.003 ( -8.305 3.892 -0.000) 9.172 15.727 ( 2.963 7.083 -0.000) 7.678 15.783 ( -3.011 -3.614 0.000) 4.703 16.296 ( -6.301 5.551 -0.000) 8.397 16.739 ( -0.629 0.076 -0.000) 0.634 16.790 ( -0.287 0.835 -0.000) 0.883 16.904 ( 5.362 -5.434 0.000) 7.635 17.359 ( 1.107 0.955 0.000) 1.462 17.520 ( -3.817 1.298 -0.000) 4.031 17.652 ( 4.208 -3.450 0.000) 5.441 17.935 ( -2.479 2.326 -0.000) 3.399 ======================= Grid point 86 (43/50) ======================= q-point: ( 0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 2.866 17.524 8.749) 19.795 1.974 ( -13.158 -5.566 4.987) 15.132 2.052 ( 11.192 -7.175 6.743) 14.906 2.161 ( -1.232 -3.519 12.247) 12.802 2.273 ( 2.618 -1.134 16.187) 16.437 2.363 ( -2.642 0.433 15.702) 15.928 2.408 ( 0.589 -1.591 9.084) 9.242 2.492 ( 3.790 6.180 1.509) 7.405 2.514 ( -2.835 -0.619 8.042) 8.549 2.574 ( 1.081 1.318 9.591) 9.741 2.659 ( -3.654 -4.903 6.005) 8.570 2.712 ( 0.110 -5.706 15.460) 16.480 2.843 ( -0.784 6.552 1.485) 6.764 2.932 ( 1.452 -2.387 1.382) 3.117 2.968 ( -0.637 5.529 7.906) 9.669 3.031 ( 0.301 2.002 6.760) 7.057 3.099 ( 0.067 2.868 5.921) 6.579 3.193 ( -2.367 -0.767 1.543) 2.928 3.224 ( 2.454 -0.337 6.275) 6.746 3.239 ( 1.487 4.742 3.237) 5.931 3.348 ( -0.185 4.675 -3.238) 5.690 3.411 ( -1.940 -0.190 -7.277) 7.534 3.520 ( 1.769 2.290 1.121) 3.103 3.561 ( 2.044 -0.409 -3.894) 4.417 3.739 ( -0.838 -1.474 -2.703) 3.191 3.759 ( 1.189 -1.139 -3.484) 3.854 3.847 ( 0.622 -1.239 -3.590) 3.848 3.926 ( -3.933 2.787 0.384) 4.836 3.950 ( 1.345 2.416 -1.491) 3.142 4.060 ( 3.333 0.999 -0.054) 3.480 4.082 ( -5.846 -0.857 1.040) 6.000 4.176 ( 0.437 -3.361 -0.604) 3.443 4.197 ( -2.365 -3.445 -0.350) 4.193 4.259 ( 2.957 -5.174 -3.696) 7.012 4.445 ( 1.105 3.430 -1.064) 3.757 4.561 ( 0.334 -3.810 2.631) 4.642 4.637 ( -1.651 -11.038 -1.605) 11.276 4.789 ( 4.821 -0.777 -0.408) 4.900 4.813 ( -3.302 -2.295 0.675) 4.077 4.902 ( -0.394 0.814 1.215) 1.515 4.990 ( -0.370 -2.225 -2.286) 3.212 5.145 ( 0.595 5.089 -3.382) 6.139 5.276 ( -1.180 -1.032 -1.332) 2.057 5.298 ( 0.913 -0.337 -2.771) 2.936 5.390 ( -2.140 -1.146 1.985) 3.135 5.418 ( 3.242 -3.333 0.954) 4.747 5.516 ( -0.410 -0.754 -0.669) 1.088 5.553 ( -0.566 -3.933 -3.490) 5.289 5.728 ( -0.260 1.438 -1.414) 2.033 5.860 ( 0.120 0.323 -9.251) 9.257 6.149 ( -0.031 4.513 9.790) 10.780 6.625 ( 0.263 -0.159 0.038) 0.310 6.659 ( -0.114 6.294 -2.028) 6.614 6.707 ( 0.499 0.912 -1.039) 1.469 6.765 ( -2.347 0.422 4.081) 4.727 6.810 ( 3.506 -1.082 2.366) 4.366 6.870 ( -2.378 -0.986 -3.927) 4.695 7.017 ( -1.256 -0.306 4.902) 5.070 7.032 ( 1.950 -2.060 0.905) 2.978 7.264 ( -1.565 1.108 -0.099) 1.920 7.320 ( 1.547 -3.698 -1.608) 4.319 7.462 ( 0.082 5.652 3.168) 6.480 7.791 ( -1.005 1.607 -0.080) 1.897 7.948 ( 4.642 1.773 6.264) 7.996 8.104 ( -5.438 -9.148 6.746) 12.601 8.262 ( -0.606 -0.562 -4.293) 4.372 8.336 ( 4.183 -1.725 0.898) 4.613 8.544 ( -1.405 -5.759 0.510) 5.950 8.600 ( -1.238 -7.739 -2.193) 8.138 8.755 ( -1.342 3.772 -0.442) 4.028 9.054 ( 1.669 7.542 -0.003) 7.725 9.104 ( 1.946 3.438 -0.345) 3.965 9.228 ( -4.486 0.854 4.232) 6.226 9.288 ( 3.264 -3.100 6.509) 7.914 9.366 ( -0.776 -2.466 4.879) 5.521 9.632 ( 0.936 1.330 3.151) 3.546 9.733 ( -0.216 -1.030 -2.834) 3.024 10.108 ( 3.505 0.077 -6.282) 7.194 10.128 ( -3.299 -1.836 -10.462) 11.122 10.323 ( -0.716 2.260 -1.212) 2.662 10.362 ( 0.716 -2.475 1.637) 3.053 10.778 ( -1.559 9.886 -1.574) 10.131 10.810 ( 2.435 3.383 5.268) 6.718 10.982 ( -1.646 -3.340 2.473) 4.470 11.204 ( 0.173 -4.952 8.603) 9.928 11.288 ( 0.100 -5.835 0.998) 5.921 11.414 ( -0.252 3.269 8.976) 9.556 11.557 ( 0.060 9.389 14.326) 17.128 12.142 ( -0.138 12.663 0.530) 12.675 12.213 ( 0.296 3.374 -11.114) 11.619 12.534 ( -0.484 -6.080 0.323) 6.108 12.658 ( 0.496 -11.389 -0.950) 11.440 13.158 ( 2.493 4.010 3.310) 5.766 13.244 ( -1.997 -1.569 4.603) 5.258 13.407 ( -0.229 -4.399 -0.355) 4.419 13.697 ( 0.617 0.899 5.937) 6.036 13.727 ( -0.848 -1.927 4.299) 4.786 14.065 ( -0.680 7.153 4.520) 8.489 14.127 ( -0.479 0.202 1.496) 1.584 14.159 ( -1.612 1.104 -0.260) 1.971 14.195 ( 1.660 -2.511 8.498) 9.015 14.341 ( 1.507 -4.479 -1.738) 5.035 14.495 ( -0.464 -1.784 -6.405) 6.665 15.010 ( 0.634 1.114 -6.000) 6.135 15.564 ( 0.558 10.527 -21.475) 23.923 15.638 ( -1.079 7.094 -7.594) 10.448 15.957 ( -1.565 11.641 -12.199) 16.935 16.043 ( 0.920 -10.461 -20.839) 23.335 16.260 ( 0.494 -6.460 -15.372) 16.682 16.423 ( 0.228 -10.448 -14.286) 17.700 17.279 ( 0.074 2.189 -1.937) 2.923 17.499 ( -1.330 0.484 -0.637) 1.551 17.555 ( 1.109 -4.264 -1.090) 4.539 18.110 ( 0.039 2.531 7.154) 7.588 ======================= Grid point 90 (44/50) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.000 0.000 -10.793) 10.793 1.994 ( -0.000 0.000 -10.793) 10.793 2.199 ( 0.000 -0.000 3.493) 3.493 2.238 ( 0.000 -0.000 1.859) 1.859 2.238 ( 0.000 -0.000 1.859) 1.859 2.301 ( 0.000 -0.000 1.839) 1.839 2.468 ( 0.000 -0.000 9.221) 9.221 2.651 ( 0.000 -0.000 4.926) 4.926 2.916 ( -0.000 0.000 -0.142) 0.142 2.916 ( -0.000 0.000 -0.142) 0.142 2.946 ( 0.000 -0.000 12.259) 12.259 3.001 ( 0.000 -0.000 1.933) 1.933 3.001 ( 0.000 -0.000 1.933) 1.933 3.086 ( -0.000 0.000 -4.036) 4.036 3.140 ( -0.000 0.000 -0.628) 0.628 3.153 ( -0.000 0.000 -4.097) 4.097 3.153 ( -0.000 0.000 -4.097) 4.097 3.412 ( -0.000 0.000 -1.976) 1.976 3.412 ( -0.000 0.000 -1.976) 1.976 3.439 ( -0.000 0.000 -4.325) 4.325 3.527 ( 0.000 -0.000 2.768) 2.768 3.670 ( 0.000 -0.000 2.820) 2.820 3.679 ( 0.000 -0.000 1.781) 1.781 3.744 ( 0.000 -0.000 6.244) 6.244 3.749 ( 0.000 -0.000 4.747) 4.747 3.784 ( 0.000 -0.000 11.528) 11.528 3.784 ( 0.000 -0.000 11.528) 11.528 3.957 ( 0.000 -0.000 1.374) 1.374 3.991 ( 0.000 -0.000 1.923) 1.923 4.025 ( -0.000 0.000 -2.036) 2.036 4.025 ( -0.000 0.000 -2.036) 2.036 4.218 ( 0.000 -0.000 0.738) 0.738 4.320 ( 0.000 -0.000 15.325) 15.325 4.320 ( 0.000 -0.000 15.325) 15.325 4.461 ( -0.000 0.000 -10.070) 10.070 4.559 ( 0.000 -0.000 5.421) 5.421 4.733 ( -0.000 0.000 -1.769) 1.769 4.770 ( 0.000 -0.000 5.447) 5.447 4.889 ( 0.000 -0.000 2.029) 2.029 4.889 ( 0.000 -0.000 2.029) 2.029 4.975 ( -0.000 0.000 -10.148) 10.148 4.975 ( -0.000 0.000 -10.148) 10.148 5.005 ( 0.000 -0.000 6.846) 6.846 5.038 ( -0.000 0.000 -0.651) 0.651 5.172 ( -0.000 0.000 -3.400) 3.400 5.172 ( -0.000 0.000 -3.400) 3.400 5.175 ( -0.000 0.000 -21.841) 21.841 5.671 ( 0.000 -0.000 2.944) 2.944 5.671 ( 0.000 -0.000 2.944) 2.944 5.681 ( -0.000 0.000 -2.226) 2.226 6.514 ( -0.000 0.000 -2.318) 2.318 6.573 ( -0.000 0.000 -5.752) 5.752 6.635 ( -0.000 0.000 -0.692) 0.692 6.635 ( -0.000 0.000 -0.692) 0.692 6.727 ( 0.000 -0.000 3.148) 3.148 6.856 ( 0.000 -0.000 3.649) 3.649 6.866 ( -0.000 0.000 -0.340) 0.340 6.866 ( -0.000 0.000 -0.340) 0.340 7.126 ( -0.000 0.000 -2.251) 2.251 7.299 ( 0.000 -0.000 1.654) 1.654 7.299 ( 0.000 -0.000 1.654) 1.654 7.543 ( -0.000 0.000 -2.708) 2.708 7.879 ( 0.000 -0.000 4.822) 4.822 7.947 ( -0.000 0.000 -10.581) 10.581 8.264 ( 0.000 -0.000 3.041) 3.041 8.264 ( 0.000 -0.000 3.041) 3.041 8.419 ( 0.000 -0.000 1.299) 1.299 8.633 ( 0.000 -0.000 5.056) 5.056 8.633 ( 0.000 -0.000 5.056) 5.056 8.643 ( -0.000 0.000 -1.657) 1.657 9.149 ( -0.000 0.000 -10.164) 10.164 9.213 ( 0.000 -0.000 8.858) 8.858 9.213 ( 0.000 -0.000 8.858) 8.858 9.409 ( 0.000 -0.000 2.880) 2.880 9.559 ( -0.000 0.000 -13.622) 13.622 9.559 ( -0.000 0.000 -13.622) 13.622 9.579 ( 0.000 -0.000 8.507) 8.507 9.948 ( 0.000 -0.000 11.238) 11.238 10.060 ( 0.000 -0.000 12.964) 12.964 10.417 ( -0.000 0.000 -6.603) 6.603 10.417 ( -0.000 0.000 -6.603) 6.603 10.577 ( -0.000 0.000 -18.770) 18.770 10.918 ( 0.000 -0.000 5.208) 5.208 10.918 ( 0.000 -0.000 5.208) 5.208 11.150 ( 0.000 -0.000 2.578) 2.578 11.342 ( -0.000 0.000 -9.646) 9.646 11.672 ( 0.000 -0.000 2.783) 2.783 12.110 ( 0.000 -0.000 2.987) 2.987 12.303 ( 0.000 -0.000 22.470) 22.470 12.345 ( -0.000 0.000 -8.516) 8.516 12.345 ( -0.000 0.000 -8.516) 8.516 12.604 ( -0.000 0.000 -28.361) 28.361 12.702 ( 0.000 -0.000 12.043) 12.043 13.291 ( 0.000 -0.000 1.616) 1.616 13.291 ( 0.000 -0.000 1.616) 1.616 13.816 ( -0.000 0.000 -5.653) 5.653 13.864 ( 0.000 -0.000 1.788) 1.788 13.864 ( 0.000 -0.000 1.788) 1.788 13.995 ( -0.000 0.000 -5.221) 5.221 14.119 ( -0.000 0.000 -2.209) 2.209 14.358 ( -0.000 0.000 -1.655) 1.655 14.446 ( -0.000 0.000 -1.898) 1.898 14.446 ( -0.000 0.000 -1.898) 1.898 14.700 ( 0.000 -0.000 2.823) 2.823 15.344 ( -0.000 0.000 -1.949) 1.949 15.344 ( -0.000 0.000 -1.949) 1.949 15.529 ( 0.000 -0.000 6.474) 6.474 15.810 ( -0.000 0.000 -3.018) 3.018 15.810 ( -0.000 0.000 -3.018) 3.018 15.919 ( -0.000 0.000 -7.545) 7.545 17.226 ( -0.000 0.000 -1.444) 1.444 17.593 ( 0.000 -0.000 4.134) 4.134 17.593 ( 0.000 -0.000 4.134) 4.134 18.366 ( 0.000 -0.000 2.498) 2.498 ======================= Grid point 106 (45/50) ======================= q-point: ( 0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 3.079 20.090 4.765) 20.876 1.612 ( 0.041 15.385 28.271) 32.186 1.841 ( -3.053 -4.220 14.145) 15.073 1.950 ( -15.767 -4.276 9.049) 18.675 1.995 ( 15.534 -8.671 4.341) 18.312 2.098 ( 1.570 -3.374 14.131) 14.612 2.174 ( 0.176 -11.697 2.405) 11.943 2.279 ( -1.229 -13.850 13.520) 19.394 2.429 ( -0.117 -0.987 1.859) 2.109 2.548 ( 2.119 14.654 -0.128) 14.807 2.579 ( -0.057 2.643 -1.882) 3.245 2.697 ( -3.198 -5.324 -1.279) 6.341 2.813 ( -0.557 4.788 4.135) 6.351 2.844 ( 0.329 6.168 1.808) 6.436 2.859 ( 0.163 4.369 3.629) 5.682 3.010 ( -1.061 -1.541 -0.966) 2.106 3.054 ( 0.903 1.576 0.680) 1.940 3.070 ( -1.117 -3.880 5.281) 6.648 3.176 ( 0.462 -0.040 1.315) 1.394 3.235 ( 2.151 9.841 -0.224) 10.076 3.405 ( -0.806 4.610 -2.154) 5.152 3.504 ( -0.261 -2.588 -0.372) 2.628 3.540 ( -1.366 1.286 -4.175) 4.577 3.629 ( 5.506 1.989 -2.766) 6.475 3.784 ( -1.133 2.927 -1.347) 3.415 3.813 ( 4.030 -2.418 -2.198) 5.189 3.908 ( 0.487 -1.916 -1.826) 2.691 3.942 ( -4.549 3.240 -1.431) 5.766 3.958 ( -1.448 -0.009 -0.657) 1.590 4.027 ( -1.654 0.625 2.217) 2.836 4.122 ( 1.779 -2.025 -2.934) 3.984 4.173 ( -2.948 -4.377 0.003) 5.277 4.223 ( -3.100 -2.863 -1.296) 4.414 4.300 ( 4.431 -2.202 -0.674) 4.993 4.485 ( 0.540 -0.890 -2.372) 2.590 4.538 ( 0.408 -1.365 -0.117) 1.430 4.662 ( -1.106 -12.305 -0.774) 12.379 4.816 ( -0.126 -2.455 -0.627) 2.537 4.822 ( 2.805 -1.862 -2.336) 4.098 4.867 ( -1.281 -2.296 1.003) 2.814 5.044 ( -0.901 -2.313 -2.853) 3.782 5.125 ( 3.532 3.000 6.042) 7.614 5.193 ( -3.930 -3.413 7.870) 9.436 5.309 ( 0.788 1.817 -0.183) 1.989 5.372 ( 1.021 1.092 -1.191) 1.911 5.385 ( -0.830 0.005 0.030) 0.831 5.564 ( 2.149 -1.388 -1.889) 3.180 5.640 ( -2.091 -5.884 -3.307) 7.066 5.750 ( -0.321 1.013 -0.746) 1.298 5.945 ( -0.090 2.302 1.971) 3.032 6.012 ( 0.144 2.800 1.741) 3.300 6.599 ( -1.251 1.941 3.844) 4.485 6.649 ( 1.608 1.171 3.371) 3.914 6.690 ( -0.077 1.474 0.569) 1.582 6.705 ( -0.159 5.512 0.119) 5.516 6.812 ( 1.205 -1.393 -1.477) 2.361 6.870 ( -0.509 -0.428 6.669) 6.702 6.933 ( -1.262 1.588 -0.171) 2.035 7.011 ( 0.622 -4.687 1.270) 4.896 7.250 ( 1.196 4.550 0.688) 4.755 7.350 ( -1.974 -2.636 -1.559) 3.644 7.469 ( 1.312 -1.538 -2.682) 3.358 7.764 ( -4.087 2.291 2.635) 5.376 7.822 ( 4.351 -1.387 5.824) 7.401 8.007 ( -0.931 -11.902 3.021) 12.315 8.324 ( 0.681 -8.390 -1.531) 8.556 8.350 ( 0.458 4.431 -1.641) 4.747 8.583 ( -0.215 0.281 -5.023) 5.035 8.674 ( -1.132 -5.729 -3.876) 7.009 8.769 ( -0.906 1.445 -2.250) 2.823 9.026 ( 0.823 7.494 2.769) 8.031 9.101 ( 2.004 3.292 1.062) 3.998 9.112 ( -1.935 0.469 5.078) 5.454 9.218 ( 0.265 -1.344 2.952) 3.254 9.277 ( -0.403 -0.939 3.676) 3.815 9.661 ( -0.402 4.652 -3.909) 6.090 9.742 ( -0.305 -3.569 1.817) 4.017 10.155 ( 7.343 3.564 -1.326) 8.270 10.222 ( -4.911 -2.049 -1.924) 5.659 10.341 ( 0.642 1.770 1.715) 2.547 10.397 ( -1.168 -4.454 -0.614) 4.646 10.613 ( -0.448 -1.406 12.125) 12.214 10.842 ( -3.730 5.433 -3.518) 7.470 10.873 ( 3.996 1.651 3.512) 5.570 11.111 ( -0.770 1.149 1.119) 1.779 11.188 ( 0.083 -5.306 8.169) 9.742 11.325 ( -0.044 0.486 -1.182) 1.278 11.430 ( 0.332 2.039 1.370) 2.479 12.127 ( 0.063 12.998 0.805) 13.023 12.357 ( 0.143 5.766 -2.628) 6.338 12.554 ( -1.797 -5.690 -2.602) 6.510 12.648 ( 1.416 -11.153 2.386) 11.493 13.066 ( 2.139 3.999 3.333) 5.628 13.125 ( -1.650 -1.782 6.000) 6.473 13.377 ( -1.177 -0.864 2.727) 3.094 13.569 ( 4.457 -0.780 7.081) 8.403 13.646 ( -3.898 -7.371 3.789) 9.158 13.927 ( -0.991 2.152 6.180) 6.619 13.974 ( 1.205 -2.787 7.033) 7.660 14.152 ( 0.061 -0.056 0.331) 0.341 14.161 ( -0.162 -0.369 0.097) 0.414 14.416 ( -0.122 0.893 -3.025) 3.157 14.649 ( -0.124 0.167 -7.694) 7.697 15.068 ( 1.287 3.508 -1.410) 3.994 15.685 ( -1.753 8.661 0.045) 8.837 15.815 ( 0.691 -3.432 -3.422) 4.896 16.241 ( -0.831 9.746 -12.079) 15.543 16.492 ( 2.368 -0.905 -23.646) 23.782 16.616 ( -2.243 -1.785 -16.139) 16.392 16.704 ( 0.952 -8.444 -13.081) 15.599 17.329 ( -0.555 1.390 -2.702) 3.089 17.530 ( 0.668 1.394 -1.884) 2.437 17.586 ( -0.281 -3.684 -1.692) 4.064 17.997 ( 0.044 2.537 4.054) 4.782 ======================= Grid point 110 (46/50) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 -0.000 4.628) 4.628 2.019 ( 0.000 -0.000 4.628) 4.628 2.099 ( 0.000 -0.000 13.184) 13.184 2.132 ( 0.000 -0.000 3.341) 3.341 2.345 ( -0.000 0.000 -8.859) 8.859 2.345 ( -0.000 0.000 -8.859) 8.859 2.465 ( -0.000 0.000 -3.558) 3.558 2.551 ( 0.000 -0.000 5.554) 5.554 2.661 ( 0.000 -0.000 15.536) 15.536 2.864 ( 0.000 -0.000 9.227) 9.227 2.864 ( 0.000 -0.000 9.227) 9.227 2.937 ( 0.000 -0.000 2.014) 2.014 2.937 ( 0.000 -0.000 2.014) 2.014 3.055 ( 0.000 -0.000 7.997) 7.997 3.173 ( -0.000 0.000 -1.564) 1.564 3.230 ( -0.000 0.000 -0.005) 0.005 3.230 ( -0.000 0.000 -0.005) 0.005 3.366 ( 0.000 -0.000 18.986) 18.986 3.390 ( 0.000 -0.000 15.084) 15.084 3.390 ( 0.000 -0.000 15.084) 15.084 3.406 ( 0.000 -0.000 9.039) 9.039 3.482 ( -0.000 0.000 -0.564) 0.564 3.482 ( -0.000 0.000 -0.564) 0.564 3.512 ( 0.000 -0.000 5.429) 5.429 3.641 ( -0.000 0.000 -1.870) 1.870 3.694 ( -0.000 0.000 -2.657) 2.657 3.747 ( -0.000 0.000 -1.226) 1.226 3.935 ( -0.000 0.000 -0.791) 0.791 3.999 ( -0.000 0.000 -1.619) 1.619 4.075 ( -0.000 0.000 -2.215) 2.215 4.075 ( -0.000 0.000 -2.215) 2.215 4.139 ( 0.000 -0.000 3.960) 3.960 4.139 ( 0.000 -0.000 3.960) 3.960 4.180 ( 0.000 -0.000 2.442) 2.442 4.462 ( 0.000 -0.000 1.846) 1.846 4.543 ( -0.000 0.000 -0.219) 0.219 4.618 ( 0.000 -0.000 6.464) 6.464 4.823 ( 0.000 -0.000 3.157) 3.157 4.823 ( 0.000 -0.000 3.157) 3.157 4.896 ( -0.000 0.000 -5.816) 5.816 4.943 ( 0.000 -0.000 0.063) 0.063 5.079 ( -0.000 0.000 -5.889) 5.889 5.184 ( -0.000 0.000 -7.618) 7.618 5.184 ( -0.000 0.000 -7.618) 7.618 5.277 ( -0.000 0.000 -7.386) 7.386 5.277 ( -0.000 0.000 -7.386) 7.386 5.588 ( 0.000 -0.000 5.367) 5.367 5.588 ( 0.000 -0.000 5.367) 5.367 5.593 ( -0.000 0.000 -18.089) 18.089 5.718 ( -0.000 0.000 -1.505) 1.505 6.403 ( 0.000 -0.000 10.438) 10.438 6.663 ( 0.000 -0.000 2.831) 2.831 6.667 ( -0.000 0.000 -2.425) 2.425 6.667 ( -0.000 0.000 -2.425) 2.425 6.706 ( -0.000 0.000 -7.531) 7.531 6.858 ( 0.000 -0.000 1.798) 1.798 6.858 ( 0.000 -0.000 1.798) 1.798 6.908 ( -0.000 0.000 -5.610) 5.610 7.133 ( 0.000 -0.000 1.886) 1.886 7.267 ( 0.000 -0.000 0.951) 0.951 7.267 ( 0.000 -0.000 0.951) 0.951 7.611 ( -0.000 0.000 -1.499) 1.499 7.790 ( 0.000 -0.000 2.561) 2.561 8.124 ( -0.000 0.000 -6.919) 6.919 8.154 ( 0.000 -0.000 7.731) 7.731 8.154 ( 0.000 -0.000 7.731) 7.731 8.375 ( 0.000 -0.000 1.700) 1.700 8.529 ( 0.000 -0.000 4.824) 4.824 8.529 ( 0.000 -0.000 4.824) 4.824 8.721 ( -0.000 0.000 -4.959) 4.959 9.140 ( -0.000 0.000 -0.551) 0.551 9.140 ( -0.000 0.000 -0.551) 0.551 9.273 ( 0.000 -0.000 0.027) 0.027 9.365 ( 0.000 -0.000 0.914) 0.914 9.410 ( 0.000 -0.000 8.867) 8.867 9.748 ( 0.000 -0.000 6.167) 6.167 9.799 ( 0.000 -0.000 12.115) 12.115 9.844 ( -0.000 0.000 -15.002) 15.002 9.844 ( -0.000 0.000 -15.002) 15.002 10.422 ( 0.000 -0.000 4.541) 4.541 10.422 ( 0.000 -0.000 4.541) 4.541 10.857 ( -0.000 0.000 -9.343) 9.343 10.891 ( -0.000 0.000 -1.098) 1.098 10.891 ( -0.000 0.000 -1.098) 1.098 11.161 ( -0.000 0.000 -2.875) 2.875 11.388 ( 0.000 -0.000 9.837) 9.837 11.583 ( 0.000 -0.000 5.559) 5.559 11.993 ( 0.000 -0.000 11.825) 11.825 12.057 ( -0.000 0.000 -2.360) 2.360 12.432 ( 0.000 -0.000 9.263) 9.263 12.444 ( -0.000 0.000 -2.177) 2.177 12.444 ( -0.000 0.000 -2.177) 2.177 13.138 ( -0.000 0.000 -18.678) 18.678 13.277 ( 0.000 -0.000 0.702) 0.702 13.277 ( 0.000 -0.000 0.702) 0.702 13.812 ( 0.000 -0.000 3.930) 3.930 13.812 ( 0.000 -0.000 3.930) 3.930 13.992 ( -0.000 0.000 -11.341) 11.341 14.107 ( -0.000 0.000 -5.730) 5.730 14.172 ( -0.000 0.000 -1.543) 1.543 14.390 ( 0.000 -0.000 8.447) 8.447 14.390 ( 0.000 -0.000 8.447) 8.447 14.392 ( -0.000 0.000 -2.262) 2.262 14.783 ( -0.000 0.000 -12.671) 12.671 15.454 ( -0.000 0.000 -11.885) 11.885 15.454 ( -0.000 0.000 -11.885) 11.885 15.512 ( -0.000 0.000 -6.504) 6.504 15.951 ( -0.000 0.000 -9.098) 9.098 15.951 ( -0.000 0.000 -9.098) 9.098 16.060 ( -0.000 0.000 -7.222) 7.222 17.266 ( -0.000 0.000 -2.363) 2.363 17.521 ( 0.000 -0.000 2.656) 2.656 17.521 ( 0.000 -0.000 2.656) 2.656 18.272 ( 0.000 -0.000 6.555) 6.555 ======================= Grid point 129 (47/50) ======================= q-point: ( 0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.029 22.463 -0.000) 22.463 1.433 ( 3.453 21.425 -0.000) 21.702 1.638 ( -0.635 -3.964 0.000) 4.014 1.899 ( -18.614 -6.207 -0.000) 19.622 1.926 ( 1.587 -4.793 0.000) 5.049 1.972 ( 15.975 -9.894 0.000) 18.791 2.144 ( -1.092 -17.690 0.000) 17.723 2.155 ( -0.257 -11.372 0.000) 11.375 2.411 ( -0.383 -1.033 0.000) 1.102 2.552 ( 2.570 16.902 -0.000) 17.096 2.599 ( -0.066 3.283 -0.000) 3.284 2.711 ( -3.192 -4.946 0.000) 5.887 2.759 ( -0.279 6.643 -0.000) 6.649 2.818 ( 0.458 3.504 -0.000) 3.534 2.841 ( -0.617 7.997 -0.000) 8.020 3.012 ( -0.188 -5.049 0.000) 5.053 3.022 ( -1.609 -0.336 -0.000) 1.643 3.055 ( 0.784 -0.230 0.000) 0.817 3.161 ( 0.150 0.501 -0.000) 0.523 3.238 ( 2.128 10.215 -0.000) 10.434 3.427 ( -1.964 4.288 -0.000) 4.717 3.507 ( 2.181 -2.955 0.000) 3.673 3.583 ( -2.484 -0.121 -0.000) 2.487 3.658 ( 5.801 3.275 0.000) 6.661 3.790 ( -0.243 5.807 -0.000) 5.812 3.842 ( 4.059 -4.327 0.000) 5.933 3.931 ( -3.132 -2.932 -0.000) 4.290 3.937 ( 2.549 3.837 -0.000) 4.607 3.992 ( -3.262 0.408 -0.000) 3.288 3.993 ( -4.842 -0.222 -0.000) 4.847 4.148 ( 4.087 -2.811 0.000) 4.960 4.183 ( -3.617 -4.845 0.000) 6.046 4.235 ( -6.961 -2.063 -0.000) 7.260 4.304 ( 6.948 -1.011 0.000) 7.021 4.510 ( -0.177 -7.397 0.000) 7.399 4.547 ( 1.031 5.430 -0.000) 5.527 4.667 ( -0.312 -13.693 0.000) 13.697 4.805 ( -1.625 -1.279 -0.000) 2.068 4.868 ( 2.595 -3.872 0.000) 4.661 4.880 ( -0.201 -3.552 0.000) 3.558 5.023 ( 3.563 1.289 0.000) 3.789 5.080 ( -1.388 -2.929 0.000) 3.242 5.092 ( -2.739 -4.081 0.000) 4.915 5.317 ( -0.107 4.361 -0.000) 4.362 5.386 ( 0.835 1.083 -0.000) 1.367 5.389 ( -0.610 0.916 -0.000) 1.100 5.581 ( 2.789 -1.588 0.000) 3.209 5.672 ( -2.821 -6.886 0.000) 7.442 5.756 ( -0.259 1.489 -0.000) 1.511 5.901 ( -0.201 3.902 -0.000) 3.908 6.009 ( 0.236 2.168 -0.000) 2.181 6.539 ( -2.110 5.008 -0.000) 5.435 6.615 ( 3.058 -0.278 0.000) 3.071 6.678 ( -0.371 1.819 -0.000) 1.857 6.711 ( 0.077 7.807 -0.000) 7.808 6.801 ( -0.207 -3.526 0.000) 3.532 6.836 ( 0.607 -1.184 0.000) 1.330 6.901 ( 0.122 -0.521 0.000) 0.535 7.015 ( -0.931 -2.386 0.000) 2.561 7.248 ( 1.875 5.006 -0.000) 5.346 7.368 ( -2.949 -2.261 -0.000) 3.716 7.507 ( 1.562 -4.665 0.000) 4.919 7.718 ( -1.479 2.868 -0.000) 3.227 7.766 ( 0.783 -2.751 0.000) 2.860 7.976 ( 0.555 -12.852 0.000) 12.864 8.342 ( 0.121 -8.244 0.000) 8.245 8.363 ( 0.227 3.680 -0.000) 3.687 8.667 ( 1.283 2.743 -0.000) 3.028 8.705 ( -2.174 -0.333 -0.000) 2.199 8.843 ( 0.174 -6.465 0.000) 6.468 8.978 ( -0.259 7.954 -0.000) 7.958 9.032 ( -3.446 2.964 -0.000) 4.546 9.082 ( 3.852 0.485 0.000) 3.883 9.179 ( -0.112 1.478 -0.000) 1.483 9.246 ( -0.448 0.571 -0.000) 0.726 9.672 ( -0.787 -0.268 -0.000) 0.832 9.746 ( -1.893 1.772 -0.000) 2.593 10.199 ( 15.683 6.105 0.000) 16.829 10.237 ( 1.210 4.216 -0.000) 4.386 10.314 ( -12.627 -3.003 -0.000) 12.979 10.374 ( -1.532 -8.362 0.000) 8.501 10.439 ( 0.675 -3.265 0.000) 3.334 10.851 ( 1.965 7.539 -0.000) 7.791 10.905 ( -2.544 2.745 -0.000) 3.743 11.109 ( 0.136 -9.107 0.000) 9.108 11.110 ( 0.060 1.573 -0.000) 1.574 11.335 ( 0.236 3.410 -0.000) 3.418 11.428 ( 0.121 -2.623 0.000) 2.626 12.118 ( -0.013 13.706 -0.000) 13.706 12.363 ( -0.007 6.671 -0.000) 6.671 12.594 ( 1.490 -5.633 0.000) 5.827 12.605 ( -1.710 -7.747 0.000) 7.934 13.042 ( -0.046 0.675 -0.000) 0.676 13.072 ( 0.033 -2.158 0.000) 2.158 13.332 ( -0.765 1.884 -0.000) 2.033 13.482 ( 4.711 -2.153 0.000) 5.180 13.603 ( -4.116 -10.782 0.000) 11.541 13.868 ( -1.695 2.383 -0.000) 2.924 13.909 ( 2.139 -2.046 0.000) 2.960 14.149 ( 0.043 -0.465 0.000) 0.467 14.159 ( -0.041 -0.333 0.000) 0.336 14.444 ( -0.603 1.530 -0.000) 1.644 14.732 ( -0.029 1.474 -0.000) 1.474 15.082 ( 1.548 3.864 -0.000) 4.163 15.682 ( -1.947 8.702 -0.000) 8.918 15.832 ( 0.618 -5.485 0.000) 5.520 16.362 ( 0.311 7.298 -0.000) 7.304 16.754 ( 2.166 -0.482 0.000) 2.219 16.783 ( -2.933 0.571 -0.000) 2.988 16.850 ( 0.761 -5.858 0.000) 5.908 17.361 ( -0.694 0.095 -0.000) 0.701 17.552 ( 1.495 1.849 -0.000) 2.378 17.605 ( -0.905 -3.245 0.000) 3.369 17.957 ( 0.049 2.265 -0.000) 2.266 ======================= Grid point 133 (48/50) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 -0.000 10.113) 10.113 1.919 ( 0.000 -0.000 5.034) 5.034 1.919 ( 0.000 -0.000 5.034) 5.034 2.070 ( 0.000 -0.000 2.936) 2.936 2.322 ( 0.000 -0.000 15.440) 15.440 2.368 ( 0.000 -0.000 18.309) 18.309 2.368 ( 0.000 -0.000 18.309) 18.309 2.483 ( 0.000 -0.000 4.111) 4.111 2.529 ( -0.000 0.000 -1.408) 1.408 2.593 ( 0.000 -0.000 3.955) 3.955 2.593 ( 0.000 -0.000 3.955) 3.955 2.638 ( 0.000 -0.000 28.715) 28.715 2.919 ( 0.000 -0.000 0.887) 0.887 2.919 ( 0.000 -0.000 0.887) 0.887 3.038 ( 0.000 -0.000 7.215) 7.215 3.038 ( 0.000 -0.000 7.215) 7.215 3.143 ( 0.000 -0.000 4.252) 4.252 3.187 ( 0.000 -0.000 0.064) 0.064 3.192 ( 0.000 -0.000 11.058) 11.058 3.388 ( -0.000 0.000 -4.198) 4.198 3.388 ( -0.000 0.000 -4.198) 4.198 3.443 ( 0.000 -0.000 2.542) 2.542 3.559 ( -0.000 0.000 -5.497) 5.497 3.559 ( -0.000 0.000 -5.497) 5.497 3.674 ( -0.000 0.000 -0.322) 0.322 3.775 ( -0.000 0.000 -4.573) 4.573 3.777 ( -0.000 0.000 -2.410) 2.410 3.997 ( -0.000 0.000 -4.626) 4.626 4.018 ( -0.000 0.000 -0.210) 0.210 4.055 ( 0.000 -0.000 2.438) 2.438 4.055 ( 0.000 -0.000 2.438) 2.438 4.142 ( 0.000 -0.000 1.447) 1.447 4.151 ( -0.000 0.000 -2.617) 2.617 4.151 ( -0.000 0.000 -2.617) 2.617 4.483 ( -0.000 0.000 -3.321) 3.321 4.489 ( 0.000 -0.000 4.513) 4.513 4.560 ( 0.000 -0.000 0.086) 0.086 4.786 ( 0.000 -0.000 0.493) 0.493 4.786 ( 0.000 -0.000 0.493) 0.493 4.902 ( 0.000 -0.000 2.774) 2.774 4.971 ( -0.000 0.000 -2.427) 2.427 5.250 ( -0.000 0.000 -8.588) 8.588 5.261 ( -0.000 0.000 -0.108) 0.108 5.261 ( -0.000 0.000 -0.108) 0.108 5.380 ( -0.000 0.000 -0.060) 0.060 5.380 ( -0.000 0.000 -0.060) 0.060 5.508 ( -0.000 0.000 -0.306) 0.306 5.508 ( -0.000 0.000 -0.306) 0.306 5.742 ( -0.000 0.000 -1.084) 1.084 5.863 ( -0.000 0.000 -9.538) 9.538 6.190 ( 0.000 -0.000 10.238) 10.238 6.630 ( 0.000 -0.000 0.590) 0.590 6.716 ( -0.000 0.000 -1.461) 1.461 6.716 ( -0.000 0.000 -1.461) 1.461 6.793 ( 0.000 -0.000 3.557) 3.557 6.793 ( 0.000 -0.000 3.557) 3.557 6.851 ( -0.000 0.000 -6.827) 6.827 6.987 ( -0.000 0.000 -1.322) 1.322 7.042 ( 0.000 -0.000 7.237) 7.237 7.275 ( -0.000 0.000 -1.670) 1.670 7.275 ( -0.000 0.000 -1.670) 1.670 7.535 ( 0.000 -0.000 6.756) 6.756 7.817 ( -0.000 0.000 -2.696) 2.696 7.980 ( 0.000 -0.000 9.350) 9.350 7.980 ( 0.000 -0.000 9.350) 9.350 8.204 ( -0.000 0.000 -1.927) 1.927 8.385 ( -0.000 0.000 -2.173) 2.173 8.492 ( -0.000 0.000 -1.792) 1.792 8.492 ( -0.000 0.000 -1.792) 1.792 8.791 ( -0.000 0.000 -1.396) 1.396 9.173 ( -0.000 0.000 -1.289) 1.289 9.173 ( -0.000 0.000 -1.289) 1.289 9.210 ( 0.000 -0.000 3.783) 3.783 9.232 ( 0.000 -0.000 8.965) 8.965 9.309 ( 0.000 -0.000 3.968) 3.968 9.651 ( 0.000 -0.000 1.844) 1.844 9.738 ( -0.000 0.000 -1.877) 1.877 10.103 ( -0.000 0.000 -9.296) 9.296 10.103 ( -0.000 0.000 -9.296) 9.296 10.338 ( 0.000 -0.000 1.484) 1.484 10.338 ( 0.000 -0.000 1.484) 1.484 10.887 ( 0.000 -0.000 10.096) 10.096 10.897 ( 0.000 -0.000 0.873) 0.873 10.897 ( 0.000 -0.000 0.873) 0.873 11.141 ( 0.000 -0.000 6.366) 6.366 11.231 ( -0.000 0.000 -3.506) 3.506 11.453 ( 0.000 -0.000 9.545) 9.545 11.653 ( 0.000 -0.000 17.785) 17.785 12.250 ( -0.000 0.000 -11.946) 11.946 12.342 ( 0.000 -0.000 1.694) 1.694 12.465 ( -0.000 0.000 -0.638) 0.638 12.465 ( -0.000 0.000 -0.638) 0.638 13.225 ( 0.000 -0.000 5.068) 5.068 13.225 ( 0.000 -0.000 5.068) 5.068 13.342 ( -0.000 0.000 -4.291) 4.291 13.709 ( 0.000 -0.000 6.401) 6.401 13.709 ( 0.000 -0.000 6.401) 6.401 14.141 ( -0.000 0.000 -2.346) 2.346 14.157 ( 0.000 -0.000 13.251) 13.251 14.157 ( 0.000 -0.000 13.251) 13.251 14.169 ( 0.000 -0.000 0.988) 0.988 14.278 ( -0.000 0.000 -11.242) 11.242 14.470 ( -0.000 0.000 -6.562) 6.562 15.033 ( -0.000 0.000 -8.231) 8.231 15.702 ( -0.000 0.000 -8.523) 8.523 15.702 ( -0.000 0.000 -8.523) 8.523 15.886 ( -0.000 0.000 -31.002) 31.002 16.198 ( -0.000 0.000 -18.178) 18.178 16.198 ( -0.000 0.000 -18.178) 18.178 16.211 ( -0.000 0.000 -8.187) 8.187 17.312 ( -0.000 0.000 -2.237) 2.237 17.505 ( -0.000 0.000 -1.042) 1.042 17.505 ( -0.000 0.000 -1.042) 1.042 18.134 ( 0.000 -0.000 6.983) 6.983 ======================= Grid point 156 (49/50) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 -0.000 4.623) 4.623 1.799 ( 0.000 -0.000 11.806) 11.806 1.799 ( 0.000 -0.000 11.806) 11.806 1.921 ( 0.000 -0.000 13.733) 13.733 1.921 ( 0.000 -0.000 13.733) 13.733 2.015 ( 0.000 -0.000 3.662) 3.662 2.068 ( 0.000 -0.000 8.398) 8.398 2.075 ( 0.000 -0.000 23.467) 23.467 2.423 ( 0.000 -0.000 2.100) 2.100 2.583 ( -0.000 0.000 -1.592) 1.592 2.628 ( -0.000 0.000 -2.221) 2.221 2.628 ( -0.000 0.000 -2.221) 2.221 2.878 ( 0.000 -0.000 2.598) 2.598 2.878 ( 0.000 -0.000 2.598) 2.598 2.987 ( -0.000 0.000 -0.272) 0.272 2.987 ( -0.000 0.000 -0.272) 0.272 3.009 ( 0.000 -0.000 6.998) 6.998 3.093 ( 0.000 -0.000 1.445) 1.445 3.176 ( 0.000 -0.000 0.809) 0.809 3.411 ( 0.000 -0.000 0.825) 0.825 3.446 ( -0.000 0.000 -1.827) 1.827 3.446 ( -0.000 0.000 -1.827) 1.827 3.665 ( 0.000 -0.000 0.669) 0.669 3.675 ( -0.000 0.000 -5.415) 5.415 3.675 ( -0.000 0.000 -5.415) 5.415 3.830 ( -0.000 0.000 -2.399) 2.399 3.840 ( -0.000 0.000 -1.656) 1.656 4.013 ( 0.000 -0.000 1.711) 1.711 4.013 ( 0.000 -0.000 1.711) 1.711 4.021 ( -0.000 0.000 -0.456) 0.456 4.082 ( -0.000 0.000 -3.477) 3.477 4.120 ( 0.000 -0.000 0.817) 0.817 4.195 ( -0.000 0.000 -1.722) 1.722 4.195 ( -0.000 0.000 -1.722) 1.722 4.422 ( 0.000 -0.000 2.138) 2.138 4.562 ( -0.000 0.000 -3.882) 3.882 4.566 ( -0.000 0.000 -0.494) 0.494 4.803 ( -0.000 0.000 -2.049) 2.049 4.803 ( -0.000 0.000 -2.049) 2.049 4.835 ( 0.000 -0.000 3.406) 3.406 5.024 ( -0.000 0.000 -2.649) 2.649 5.151 ( 0.000 -0.000 8.904) 8.904 5.151 ( 0.000 -0.000 8.904) 8.904 5.373 ( -0.000 0.000 -3.898) 3.898 5.382 ( -0.000 0.000 -1.103) 1.103 5.382 ( -0.000 0.000 -1.103) 1.103 5.551 ( -0.000 0.000 -1.767) 1.767 5.551 ( -0.000 0.000 -1.767) 1.767 5.761 ( -0.000 0.000 -0.807) 0.807 5.965 ( -0.000 0.000 -0.083) 0.083 6.043 ( 0.000 -0.000 3.126) 3.126 6.634 ( -0.000 0.000 -0.810) 0.810 6.662 ( 0.000 -0.000 4.154) 4.154 6.662 ( 0.000 -0.000 4.154) 4.154 6.801 ( -0.000 0.000 -2.071) 2.071 6.801 ( -0.000 0.000 -2.071) 2.071 6.881 ( 0.000 -0.000 7.631) 7.631 6.935 ( 0.000 -0.000 5.929) 5.929 6.960 ( -0.000 0.000 -3.836) 3.836 7.318 ( -0.000 0.000 -2.233) 2.233 7.318 ( -0.000 0.000 -2.233) 2.233 7.435 ( 0.000 -0.000 2.649) 2.649 7.816 ( 0.000 -0.000 6.707) 6.707 7.816 ( 0.000 -0.000 6.707) 6.707 7.839 ( 0.000 -0.000 0.299) 0.299 8.238 ( -0.000 0.000 -1.896) 1.896 8.414 ( -0.000 0.000 -0.115) 0.115 8.595 ( -0.000 0.000 -7.757) 7.757 8.595 ( -0.000 0.000 -7.757) 7.757 8.782 ( 0.000 -0.000 1.304) 1.304 9.084 ( 0.000 -0.000 5.501) 5.501 9.152 ( 0.000 -0.000 3.645) 3.645 9.152 ( 0.000 -0.000 3.645) 3.645 9.181 ( -0.000 0.000 -0.966) 0.966 9.252 ( 0.000 -0.000 1.508) 1.508 9.712 ( 0.000 -0.000 5.132) 5.132 9.717 ( -0.000 0.000 -6.951) 6.951 10.184 ( -0.000 0.000 -2.456) 2.456 10.184 ( -0.000 0.000 -2.456) 2.456 10.360 ( 0.000 -0.000 0.709) 0.709 10.360 ( 0.000 -0.000 0.709) 0.709 10.582 ( 0.000 -0.000 15.719) 15.719 10.895 ( -0.000 0.000 -1.873) 1.873 10.895 ( -0.000 0.000 -1.873) 1.873 11.119 ( -0.000 0.000 -0.425) 0.425 11.150 ( 0.000 -0.000 12.317) 12.317 11.314 ( -0.000 0.000 -1.589) 1.589 11.471 ( 0.000 -0.000 3.815) 3.815 12.323 ( 0.000 -0.000 0.560) 0.560 12.438 ( -0.000 0.000 -6.673) 6.673 12.472 ( 0.000 -0.000 0.170) 0.170 12.472 ( 0.000 -0.000 0.170) 0.170 13.104 ( 0.000 -0.000 5.682) 5.682 13.104 ( 0.000 -0.000 5.682) 5.682 13.378 ( -0.000 0.000 -0.461) 0.461 13.562 ( 0.000 -0.000 8.184) 8.184 13.562 ( 0.000 -0.000 8.184) 8.184 13.952 ( 0.000 -0.000 6.546) 6.546 13.952 ( 0.000 -0.000 6.546) 6.546 14.151 ( 0.000 -0.000 0.657) 0.657 14.157 ( -0.000 0.000 -0.058) 0.058 14.419 ( -0.000 0.000 -3.484) 3.484 14.648 ( -0.000 0.000 -9.126) 9.126 15.120 ( -0.000 0.000 -2.064) 2.064 15.767 ( -0.000 0.000 -0.303) 0.303 15.767 ( -0.000 0.000 -0.303) 0.303 16.366 ( -0.000 0.000 -6.893) 6.893 16.505 ( -0.000 0.000 -26.537) 26.537 16.588 ( -0.000 0.000 -17.561) 17.561 16.588 ( -0.000 0.000 -17.561) 17.561 17.349 ( -0.000 0.000 -1.472) 1.472 17.544 ( -0.000 0.000 -2.246) 2.246 17.544 ( -0.000 0.000 -2.246) 2.246 18.020 ( 0.000 -0.000 4.213) 4.213 ======================= Grid point 179 (50/50) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.000 0.000 -0.000) 0.000 1.602 ( 0.000 0.000 -0.000) 0.000 1.686 ( 0.000 0.000 -0.000) 0.000 1.815 ( -0.000 0.000 -0.000) 0.000 1.844 ( -0.000 0.000 -0.000) 0.000 1.844 ( 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 2.402 ( -0.000 0.000 -0.000) 0.000 2.599 ( 0.000 0.000 -0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.850 ( -0.000 0.000 -0.000) 0.000 2.850 ( -0.000 0.000 -0.000) 0.000 2.938 ( 0.000 -0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 -0.000) 0.000 3.079 ( -0.000 -0.000 -0.000) 0.000 3.166 ( 0.000 0.000 -0.000) 0.000 3.405 ( -0.000 0.000 -0.000) 0.000 3.464 ( -0.000 0.000 -0.000) 0.000 3.464 ( 0.000 0.000 -0.000) 0.000 3.658 ( 0.000 0.000 -0.000) 0.000 3.734 ( -0.000 -0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 -0.000) 0.000 3.855 ( -0.000 0.000 -0.000) 0.000 3.995 ( -0.000 0.000 -0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.030 ( -0.000 0.000 -0.000) 0.000 4.111 ( -0.000 0.000 -0.000) 0.000 4.118 ( -0.000 0.000 -0.000) 0.000 4.213 ( -0.000 -0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.403 ( -0.000 0.000 -0.000) 0.000 4.572 ( -0.000 0.000 -0.000) 0.000 4.605 ( -0.000 0.000 -0.000) 0.000 4.796 ( -0.000 0.000 -0.000) 0.000 4.839 ( 0.000 0.000 -0.000) 0.000 4.839 ( -0.000 0.000 -0.000) 0.000 5.035 ( 0.000 0.000 -0.000) 0.000 5.035 ( 0.000 0.000 -0.000) 0.000 5.055 ( 0.000 0.000 -0.000) 0.000 5.395 ( -0.000 0.000 -0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.409 ( -0.000 0.000 -0.000) 0.000 5.566 ( 0.000 0.000 -0.000) 0.000 5.566 ( 0.000 0.000 -0.000) 0.000 5.770 ( 0.000 0.000 -0.000) 0.000 5.937 ( 0.000 0.000 -0.000) 0.000 6.033 ( 0.000 0.000 -0.000) 0.000 6.617 ( -0.000 0.000 -0.000) 0.000 6.617 ( -0.000 0.000 -0.000) 0.000 6.648 ( 0.000 -0.000 0.000) 0.000 6.796 ( 0.000 0.000 -0.000) 0.000 6.824 ( 0.000 -0.000 0.000) 0.000 6.824 ( 0.000 0.000 -0.000) 0.000 6.851 ( -0.000 0.000 -0.000) 0.000 6.999 ( -0.000 0.000 -0.000) 0.000 7.344 ( -0.000 0.000 -0.000) 0.000 7.344 ( -0.000 0.000 -0.000) 0.000 7.415 ( 0.000 -0.000 0.000) 0.000 7.745 ( -0.000 0.000 -0.000) 0.000 7.745 ( 0.000 0.000 -0.000) 0.000 7.830 ( -0.000 0.000 -0.000) 0.000 8.264 ( 0.000 0.000 -0.000) 0.000 8.405 ( -0.000 0.000 -0.000) 0.000 8.706 ( -0.000 0.000 -0.000) 0.000 8.706 ( 0.000 0.000 -0.000) 0.000 8.768 ( -0.000 0.000 -0.000) 0.000 9.029 ( -0.000 0.000 -0.000) 0.000 9.086 ( -0.000 0.000 -0.000) 0.000 9.086 ( 0.000 0.000 -0.000) 0.000 9.199 ( -0.000 0.000 -0.000) 0.000 9.253 ( 0.000 0.000 -0.000) 0.000 9.624 ( 0.000 0.000 -0.000) 0.000 9.818 ( -0.000 0.000 -0.000) 0.000 10.259 ( 0.000 0.000 -0.000) 0.000 10.259 ( -0.000 0.000 -0.000) 0.000 10.285 ( -0.000 0.000 -0.000) 0.000 10.285 ( -0.000 0.000 -0.000) 0.000 10.397 ( 0.000 0.000 -0.000) 0.000 10.933 ( -0.000 -0.000 -0.000) 0.000 10.933 ( -0.000 0.000 -0.000) 0.000 11.028 ( 0.000 0.000 -0.000) 0.000 11.124 ( 0.000 0.000 -0.000) 0.000 11.334 ( 0.000 0.000 -0.000) 0.000 11.436 ( 0.000 0.000 -0.000) 0.000 12.317 ( -0.000 0.000 -0.000) 0.000 12.464 ( -0.000 0.000 -0.000) 0.000 12.464 ( 0.000 0.000 -0.000) 0.000 12.503 ( -0.000 -0.000 0.000) 0.000 13.048 ( -0.000 0.000 -0.000) 0.000 13.048 ( 0.000 0.000 -0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.462 ( -0.000 0.000 -0.000) 0.000 13.462 ( -0.000 0.000 -0.000) 0.000 13.894 ( -0.000 0.000 -0.000) 0.000 13.894 ( 0.000 0.000 -0.000) 0.000 14.145 ( 0.000 0.000 -0.000) 0.000 14.156 ( -0.000 0.000 -0.000) 0.000 14.450 ( 0.000 0.000 -0.000) 0.000 14.745 ( 0.000 0.000 -0.000) 0.000 15.138 ( -0.000 0.000 -0.000) 0.000 15.765 ( -0.000 0.000 -0.000) 0.000 15.765 ( 0.000 0.000 -0.000) 0.000 16.441 ( -0.000 0.000 -0.000) 0.000 16.773 ( -0.000 0.000 -0.000) 0.000 16.773 ( 0.000 0.000 -0.000) 0.000 16.782 ( 0.000 -0.000 0.000) 0.000 17.364 ( 0.000 0.000 -0.000) 0.000 17.570 ( -0.000 0.000 -0.000) 0.000 17.570 ( 0.000 0.000 -0.000) 0.000 17.978 ( -0.000 0.000 -0.000) 0.000 =================== 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 3/32832 10.0 1891.890 1891.890 1501.932 -0.000 0.000 0.000 3/32832 20.0 354.008 354.008 492.357 -0.000 0.000 0.000 3/32832 30.0 115.345 115.345 185.617 -0.000 0.000 0.000 3/32832 40.0 56.921 56.921 95.672 -0.000 0.000 0.000 3/32832 50.0 34.838 34.838 59.906 -0.000 0.000 0.000 3/32832 60.0 24.058 24.058 41.936 -0.000 0.000 0.000 3/32832 70.0 17.922 17.922 31.500 -0.000 0.000 0.000 3/32832 80.0 14.062 14.062 24.844 -0.000 0.000 0.000 3/32832 90.0 11.459 11.459 20.310 -0.000 0.000 0.000 3/32832 100.0 9.610 9.610 17.068 -0.000 0.000 0.000 3/32832 110.0 8.243 8.243 14.659 -0.000 0.000 0.000 3/32832 120.0 7.198 7.198 12.814 -0.000 0.000 0.000 3/32832 130.0 6.379 6.379 11.364 -0.000 0.000 0.000 3/32832 140.0 5.722 5.722 10.200 -0.000 0.000 0.000 3/32832 150.0 5.185 5.185 9.248 -0.000 0.000 0.000 3/32832 160.0 4.739 4.739 8.458 -0.000 0.000 0.000 3/32832 170.0 4.363 4.363 7.791 -0.000 0.000 0.000 3/32832 180.0 4.043 4.043 7.223 -0.000 0.000 0.000 3/32832 190.0 3.767 3.767 6.733 -0.000 0.000 0.000 3/32832 200.0 3.527 3.527 6.307 -0.000 0.000 0.000 3/32832 210.0 3.316 3.316 5.933 -0.000 0.000 0.000 3/32832 220.0 3.129 3.129 5.601 -0.000 0.000 0.000 3/32832 230.0 2.962 2.962 5.306 -0.000 0.000 0.000 3/32832 240.0 2.813 2.813 5.041 -0.000 0.000 0.000 3/32832 250.0 2.679 2.679 4.803 -0.000 0.000 0.000 3/32832 260.0 2.557 2.557 4.586 -0.000 0.000 0.000 3/32832 270.0 2.446 2.446 4.389 -0.000 0.000 0.000 3/32832 280.0 2.345 2.345 4.209 -0.000 0.000 0.000 3/32832 290.0 2.252 2.252 4.044 -0.000 0.000 0.000 3/32832 300.0 2.166 2.166 3.891 -0.000 0.000 0.000 3/32832 310.0 2.087 2.087 3.750 -0.000 0.000 0.000 3/32832 320.0 2.013 2.013 3.619 -0.000 0.000 0.000 3/32832 330.0 1.945 1.945 3.497 -0.000 0.000 0.000 3/32832 340.0 1.881 1.881 3.384 -0.000 0.000 0.000 3/32832 350.0 1.822 1.822 3.278 -0.000 0.000 0.000 3/32832 360.0 1.766 1.766 3.178 -0.000 0.000 0.000 3/32832 370.0 1.713 1.713 3.085 -0.000 0.000 0.000 3/32832 380.0 1.664 1.664 2.997 -0.000 0.000 0.000 3/32832 390.0 1.618 1.618 2.914 -0.000 0.000 0.000 3/32832 400.0 1.574 1.574 2.835 -0.000 0.000 0.000 3/32832 410.0 1.532 1.532 2.761 -0.000 0.000 0.000 3/32832 420.0 1.493 1.493 2.691 -0.000 0.000 0.000 3/32832 430.0 1.456 1.456 2.624 -0.000 0.000 0.000 3/32832 440.0 1.420 1.420 2.561 -0.000 0.000 0.000 3/32832 450.0 1.387 1.387 2.501 -0.000 0.000 0.000 3/32832 460.0 1.354 1.354 2.443 -0.000 0.000 0.000 3/32832 470.0 1.324 1.324 2.388 -0.000 0.000 0.000 3/32832 480.0 1.295 1.295 2.336 -0.000 0.000 0.000 3/32832 490.0 1.267 1.267 2.286 -0.000 0.000 0.000 3/32832 500.0 1.240 1.240 2.238 -0.000 0.000 0.000 3/32832 510.0 1.214 1.214 2.192 -0.000 0.000 0.000 3/32832 520.0 1.190 1.190 2.148 -0.000 0.000 0.000 3/32832 530.0 1.166 1.166 2.106 -0.000 0.000 0.000 3/32832 540.0 1.144 1.144 2.065 -0.000 0.000 0.000 3/32832 550.0 1.122 1.122 2.026 -0.000 0.000 0.000 3/32832 560.0 1.101 1.101 1.989 -0.000 0.000 0.000 3/32832 570.0 1.081 1.081 1.952 -0.000 0.000 0.000 3/32832 580.0 1.061 1.061 1.918 -0.000 0.000 0.000 3/32832 590.0 1.043 1.043 1.884 -0.000 0.000 0.000 3/32832 600.0 1.025 1.025 1.851 -0.000 0.000 0.000 3/32832 610.0 1.007 1.007 1.820 -0.000 0.000 0.000 3/32832 620.0 0.990 0.990 1.790 -0.000 0.000 0.000 3/32832 630.0 0.974 0.974 1.761 -0.000 0.000 0.000 3/32832 640.0 0.958 0.958 1.732 -0.000 0.000 0.000 3/32832 650.0 0.943 0.943 1.705 -0.000 0.000 0.000 3/32832 660.0 0.928 0.928 1.678 -0.000 0.000 0.000 3/32832 670.0 0.914 0.914 1.653 -0.000 0.000 0.000 3/32832 680.0 0.900 0.900 1.628 -0.000 0.000 0.000 3/32832 690.0 0.887 0.887 1.604 -0.000 0.000 0.000 3/32832 700.0 0.874 0.874 1.580 -0.000 0.000 0.000 3/32832 710.0 0.861 0.861 1.557 -0.000 0.000 0.000 3/32832 720.0 0.849 0.849 1.535 -0.000 0.000 0.000 3/32832 730.0 0.837 0.837 1.514 -0.000 0.000 0.000 3/32832 740.0 0.825 0.825 1.493 -0.000 0.000 0.000 3/32832 750.0 0.814 0.814 1.473 -0.000 0.000 0.000 3/32832 760.0 0.803 0.803 1.453 -0.000 0.000 0.000 3/32832 770.0 0.792 0.792 1.433 -0.000 0.000 0.000 3/32832 780.0 0.782 0.782 1.415 -0.000 0.000 0.000 3/32832 790.0 0.772 0.772 1.397 -0.000 0.000 0.000 3/32832 800.0 0.762 0.762 1.379 -0.000 0.000 0.000 3/32832 810.0 0.752 0.752 1.361 -0.000 0.000 0.000 3/32832 820.0 0.743 0.743 1.345 -0.000 0.000 0.000 3/32832 830.0 0.734 0.734 1.328 -0.000 0.000 0.000 3/32832 840.0 0.725 0.725 1.312 -0.000 0.000 0.000 3/32832 850.0 0.716 0.716 1.296 -0.000 0.000 0.000 3/32832 860.0 0.708 0.708 1.281 -0.000 0.000 0.000 3/32832 870.0 0.700 0.700 1.266 -0.000 0.000 0.000 3/32832 880.0 0.692 0.692 1.251 -0.000 0.000 0.000 3/32832 890.0 0.684 0.684 1.237 -0.000 0.000 0.000 3/32832 900.0 0.676 0.676 1.223 -0.000 0.000 0.000 3/32832 910.0 0.668 0.668 1.210 -0.000 0.000 0.000 3/32832 920.0 0.661 0.661 1.196 -0.000 0.000 0.000 3/32832 930.0 0.654 0.654 1.183 -0.000 0.000 0.000 3/32832 940.0 0.647 0.647 1.170 -0.000 0.000 0.000 3/32832 950.0 0.640 0.640 1.158 -0.000 0.000 0.000 3/32832 960.0 0.633 0.633 1.146 -0.000 0.000 0.000 3/32832 970.0 0.626 0.626 1.134 -0.000 0.000 0.000 3/32832 980.0 0.620 0.620 1.122 -0.000 0.000 0.000 3/32832 990.0 0.614 0.614 1.111 -0.000 0.000 0.000 3/32832 1000.0 0.607 0.607 1.099 -0.000 0.000 0.000 3/32832 Thermal conductivity related properties were written into "kappa-m1472.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:29:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|