----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): *1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 *2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 *3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 *11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 *12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 *19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 *20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 *21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): *1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 > 1 *2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 > 2 *3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 3 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 4 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 > 5 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 > 6 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 > 7 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 > 8 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 > 10 *11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 > 11 *12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 > 12 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 > 13 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 > 14 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 > 15 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 > 16 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 > 17 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 > 18 *19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 > 19 *20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 > 20 *21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 > 21 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 > 22 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 > 23 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 > 24 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 > 25 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 > 26 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 > 27 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 > 28 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 > 29 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 > 30 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 > 31 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 > 32 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 > 34 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 > 35 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 > 36 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 > 37 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 > 38 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 > 39 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 > 40 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 > 42 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 > 43 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 > 44 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 > 45 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 > 46 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 > 47 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): *1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 > 1 *2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 > 2 *3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 3 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 4 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 > 5 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 > 6 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 > 7 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 > 8 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 > 10 *11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 > 11 *12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 > 12 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 > 13 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 > 14 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 > 15 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 > 16 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 > 17 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 > 18 *19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 > 19 *20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 > 20 *21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 > 21 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 > 22 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 > 23 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 > 24 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 > 25 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 > 26 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 > 27 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 > 28 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 > 29 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 > 30 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 > 31 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 > 32 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 > 34 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 > 35 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 > 36 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 > 37 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 > 38 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 > 39 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 > 40 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 > 42 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 > 43 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 > 44 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 > 45 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 > 46 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 > 47 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8296860 -0.0000000 0.0000000 0.0000000 4.8296860 0.0000000 0.0000000 0.0000000 4.2821773 -------------------------- Born effective charges -------------------------- 1 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 2 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 3 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 4 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 5 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 6 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 7 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 8 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 9 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 10 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 11 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 12 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 13 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 14 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 15 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 16 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 17 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 18 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 19 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 20 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 21 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 22 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 23 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 24 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 25 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 26 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 27 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 28 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 29 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 30 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 31 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 32 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 33 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 34 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 35 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 36 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 37 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 38 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 39 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 40 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 41 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 42 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 43 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 44 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 45 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 46 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 47 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 48 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 10296/10296 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 914 Number of blocks in projector: 500 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (914, 877), data: False |-- (144, 136), data: True |-- (330, 320), data: True |-- (440, 421), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 480 - Time: 0.400 Solver_block: 200 / 480 - Time: 0.399 Solver_block: 300 / 480 - Time: 0.399 Solver_block: 400 / 480 - Time: 0.400 Solver_block: 480 / 480 - Time: 0.329 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.942 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 10296/10296 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 914 Number of blocks in projector: 500 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (914, 877), data: False |-- (144, 136), data: True |-- (330, 320), data: True |-- (440, 421), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:37:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:37:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): 1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): 1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 > 1 2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 > 2 3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 3 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 4 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 > 5 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 > 6 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 > 7 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 > 8 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 > 10 11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 > 11 12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 > 12 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 > 13 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 > 14 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 > 15 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 > 16 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 > 17 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 > 18 19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 > 19 20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 > 20 21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 > 21 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 > 22 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 > 23 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 > 24 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 > 25 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 > 26 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 > 27 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 > 28 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 > 29 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 > 30 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 > 31 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 > 32 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 > 34 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 > 35 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 > 36 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 > 37 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 > 38 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 > 39 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 > 40 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 > 42 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 > 43 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 > 44 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 > 45 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 > 46 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 > 47 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8296860 -0.0000000 0.0000000 0.0000000 4.8296860 0.0000000 0.0000000 0.0000000 4.2821773 -------------------------- Born effective charges -------------------------- 1 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 2 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 3 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 4 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 5 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 6 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 7 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 8 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 9 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 10 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 11 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 12 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 13 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 14 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 15 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 16 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 17 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 18 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 19 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 20 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 21 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 22 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 23 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 24 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 25 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 26 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 27 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 28 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 29 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 30 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 31 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 32 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 33 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 34 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 35 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 36 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 37 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 38 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 39 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 40 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 41 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 42 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 43 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 44 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 45 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 46 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 47 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 48 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, 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[ 3, 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 12, 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[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:37:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:37:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): 1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.647658852978584 0.000000000000000 0.000000000000000 b -2.823829426489292 4.891016038587537 0.000000000000000 c 0.000000000000000 0.000000000000000 22.977097480000001 Atomic positions (fractional): 1 Sr 0.33333333333333 0.66666666666667 0.13917541319501 87.620 > 1 2 Sr 0.33333333333333 0.66666666666667 0.47209919906655 87.620 > 2 3 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 3 4 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 4 5 Sr 0.33333333333333 0.66666666666667 0.97209919906655 87.620 > 5 6 Sr 0.33333333333333 0.66666666666667 0.63917541319501 87.620 > 6 7 Sr 0.66666666666667 0.33333333333333 0.02790080093345 87.620 > 7 8 Sr 0.66666666666667 0.33333333333333 0.36082458680499 87.620 > 8 9 Sr 0.66666666666667 0.33333333333333 0.52790080093345 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.86082458680499 87.620 > 10 11 Ta 0.33333333333333 0.66666666666667 0.30209933597223 180.948 > 11 12 Ta 0.00000000000000 0.00000000000000 0.09226646819180 180.948 > 12 13 Ta 0.00000000000000 0.00000000000000 0.40773353180820 180.948 > 13 14 Ta 0.00000000000000 0.00000000000000 0.59226646819180 180.948 > 14 15 Ta 0.00000000000000 0.00000000000000 0.90773353180820 180.948 > 15 16 Ta 0.33333333333333 0.66666666666667 0.80209933597223 180.948 > 16 17 Ta 0.66666666666667 0.33333333333333 0.19790066402777 180.948 > 17 18 Ta 0.66666666666667 0.33333333333333 0.69790066402777 180.948 > 18 19 O 0.23466373832830 0.33339903742112 0.55587259340152 15.999 > 19 20 O 0.21113535549287 0.32896683833807 0.34559272134254 15.999 > 20 21 O 0.45696949659638 0.45696949659638 0.75000000000000 15.999 > 21 22 O 0.54303050340362 0.54303050340362 0.25000000000000 15.999 > 22 23 O 0.11783148284520 0.32896683833807 0.84559272134254 15.999 > 23 24 O 0.09873529909282 0.33339903742112 0.05587259340152 15.999 > 24 25 O 0.66660096257888 0.76533626167170 0.05587259340152 15.999 > 25 26 O 0.67103316166193 0.78886464450713 0.84559272134254 15.999 > 26 27 O 0.67103316166193 0.88216851715480 0.34559272134254 15.999 > 27 28 O 0.66660096257888 0.90126470090718 0.55587259340152 15.999 > 28 29 O 0.76533626167170 0.09873529909282 0.94412740659848 15.999 > 29 30 O 0.09873529909282 0.76533626167170 0.55587259340152 15.999 > 30 31 O 0.11783148284520 0.78886464450713 0.34559272134254 15.999 > 31 32 O 0.78886464450713 0.11783148284520 0.15440727865746 15.999 > 32 33 O 0.54303050340362 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.45696949659638 0.00000000000000 0.25000000000000 15.999 > 34 35 O 0.21113535549287 0.88216851715480 0.84559272134254 15.999 > 35 36 O 0.88216851715480 0.21113535549287 0.65440727865746 15.999 > 36 37 O 0.90126470090718 0.23466373832830 0.44412740659848 15.999 > 37 38 O 0.23466373832830 0.90126470090718 0.05587259340152 15.999 > 38 39 O 0.33339903742112 0.09873529909282 0.44412740659848 15.999 > 39 40 O 0.32896683833807 0.11783148284520 0.65440727865746 15.999 > 40 41 O 0.00000000000000 0.45696949659638 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.54303050340362 0.75000000000000 15.999 > 42 43 O 0.32896683833807 0.21113535549287 0.15440727865746 15.999 > 43 44 O 0.33339903742112 0.23466373832830 0.94412740659848 15.999 > 44 45 O 0.90126470090718 0.66660096257888 0.94412740659848 15.999 > 45 46 O 0.88216851715480 0.67103316166193 0.15440727865746 15.999 > 46 47 O 0.78886464450713 0.67103316166193 0.65440727865746 15.999 > 47 48 O 0.76533626167170 0.66660096257888 0.44412740659848 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8296860 -0.0000000 0.0000000 0.0000000 4.8296860 0.0000000 0.0000000 0.0000000 4.2821773 -------------------------- Born effective charges -------------------------- 1 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 2 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 3 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 4 Sr 2.6552092 -0.0000000 0.0000000 0.0000000 2.6552092 -0.0000000 -0.0000000 0.0000000 1.9093266 5 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 6 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 7 Sr 2.7675265 0.0642025 0.0000000 -0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 8 Sr 2.7159022 0.1667019 0.0000000 -0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 9 Sr 2.7675265 -0.0642025 0.0000000 0.0642025 2.7675265 -0.0000000 -0.0000000 0.0000000 3.2867413 10 Sr 2.7159022 -0.1667019 0.0000000 0.1667019 2.7159022 -0.0000000 -0.0000000 0.0000000 2.1435545 11 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 12 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 13 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 14 Ta 6.2266025 -0.2261714 0.0000000 0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 15 Ta 6.2266025 0.2261714 0.0000000 -0.2261714 6.2266025 -0.0000000 -0.0000000 0.0000000 5.0549027 16 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 17 Ta 7.7173320 -0.3953064 0.0000000 0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 18 Ta 7.7173320 0.3953064 0.0000000 -0.3953064 7.7173320 -0.0000000 -0.0000000 0.0000000 5.8183065 19 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 20 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 21 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 22 O -3.7109671 1.0484392 1.5984304 1.0484392 -2.5003337 -0.9228542 1.3479925 -0.7782639 -2.4955856 23 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 24 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 25 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 26 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 27 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 28 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 29 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 30 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 31 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 32 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 33 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 34 O -1.8950170 0.0000000 -0.0000000 0.0000000 -4.3162837 1.8457084 -0.0000000 1.5565277 -2.4955856 35 O -3.3610220 1.1023474 1.3075414 0.9997443 -2.4694333 -0.8050577 1.1485505 -0.8145475 -2.3569427 36 O -3.6025629 0.8602906 1.3509712 0.9628937 -2.2278923 -0.7298352 1.2796941 -0.5874002 -2.3569427 37 O -2.4958918 0.8793308 0.4531462 0.8140634 -2.4046477 -0.4735893 0.5519125 -0.7244634 -2.1479872 38 O -3.1607199 0.4302248 0.6367134 0.4954921 -1.7398196 -0.1556415 0.9033599 -0.1157386 -2.1479872 39 O -3.1607199 -0.4302248 -0.6367134 -0.4954921 -1.7398196 -0.1556415 -0.9033599 -0.1157386 -2.1479872 40 O -3.3610220 -1.1023474 -1.3075414 -0.9997443 -2.4694333 -0.8050577 -1.1485505 -0.8145475 -2.3569427 41 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 42 O -3.7109671 -1.0484392 -1.5984304 -1.0484392 -2.5003337 -0.9228542 -1.3479925 -0.7782639 -2.4955856 43 O -3.6025629 -0.8602906 -1.3509712 -0.9628937 -2.2278923 -0.7298352 -1.2796941 -0.5874002 -2.3569427 44 O -2.4958918 -0.8793308 -0.4531462 -0.8140634 -2.4046477 -0.4735893 -0.5519125 -0.7244634 -2.1479872 45 O -1.6941975 0.3512050 -0.1835673 0.4164724 -3.2063420 0.6292307 -0.3514474 0.8402019 -2.1479872 46 O -1.7820980 -0.0881522 0.0434297 -0.1907553 -4.0483572 1.5348930 0.1311436 1.4019477 -2.3569427 47 O -1.7820980 0.0881522 -0.0434297 0.1907553 -4.0483572 1.5348930 -0.1311436 1.4019477 -2.3569427 48 O -1.6941975 -0.3512050 0.1835673 -0.4164724 -3.2063420 0.6292307 0.3514474 0.8402019 -2.1479872 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 2 ] 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: 0.48, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/28) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 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 1.132 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.079 ( 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 5.224 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.151 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.810 ( 0.000 0.000 0.000) 0.000 12.810 ( 0.000 0.000 0.000) 0.000 17.098 ( 0.000 0.000 0.000) 0.000 17.098 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 17.971 ( 0.000 0.000 0.000) 0.000 17.971 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 18.200 ( 0.000 0.000 0.000) 0.000 20.179 ( 0.000 0.000 0.000) 0.000 20.179 ( 0.000 0.000 0.000) 0.000 20.183 ( 0.000 0.000 0.000) 0.000 20.183 ( 0.000 0.000 0.000) 0.000 20.357 ( 0.000 0.000 0.000) 0.000 20.357 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 22.291 ( 0.000 0.000 0.000) 0.000 23.429 ( 0.000 0.000 0.000) 0.000 23.529 ( 0.000 0.000 0.000) 0.000 24.615 ( 0.000 0.000 0.000) 0.000 24.648 ( 0.000 0.000 0.000) 0.000 25.356 ( 0.000 0.000 0.000) 0.000 25.384 ( 0.000 0.000 0.000) 0.000 25.892 ( 0.000 0.000 0.000) 0.000 25.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/28) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 26.687 15.408 1.181) 30.838 0.936 ( 38.444 22.196 2.409) 44.457 1.164 ( 46.183 26.664 -2.462) 53.385 1.494 ( 26.590 15.352 -7.602) 31.630 1.565 ( 28.428 16.413 2.613) 32.930 1.675 ( 13.575 7.838 5.663) 16.667 1.748 ( 8.392 4.845 -0.104) 9.691 1.828 ( 19.936 11.510 0.343) 23.023 2.333 ( 4.252 2.455 -6.125) 7.850 2.355 ( 3.774 2.179 5.680) 7.159 2.395 ( 6.265 3.617 -5.261) 8.945 2.557 ( 6.507 3.757 1.450) 7.652 2.695 ( 1.660 0.958 1.152) 2.236 2.758 ( 6.412 3.702 -10.703) 13.014 2.768 ( 10.288 5.940 16.573) 20.391 2.841 ( 11.932 6.889 -11.150) 17.725 2.918 ( 12.850 7.419 5.926) 15.977 3.120 ( 9.423 5.441 4.985) 11.969 3.215 ( 0.893 0.516 -2.618) 2.814 3.303 ( -0.422 -0.243 -0.150) 0.510 3.398 ( 0.851 0.491 -1.825) 2.073 3.445 ( 0.755 0.436 -0.056) 0.873 3.578 ( 1.472 0.850 -8.209) 8.383 3.592 ( 4.119 2.378 -2.269) 5.270 3.663 ( 3.867 2.233 1.951) 4.873 3.691 ( 5.720 3.302 10.612) 12.500 3.732 ( 1.974 1.140 0.393) 2.313 3.770 ( 0.945 0.546 0.022) 1.092 3.857 ( 1.144 0.661 -0.301) 1.355 4.106 ( -6.553 -3.783 -1.437) 7.702 4.159 ( -5.247 -3.029 5.054) 7.890 4.249 ( 0.576 0.333 0.047) 0.667 4.284 ( -1.421 -0.820 -3.278) 3.665 4.313 ( 0.823 0.475 -4.422) 4.523 4.381 ( 2.629 1.518 -1.155) 3.248 4.381 ( 4.045 2.336 4.976) 6.825 4.477 ( 4.711 2.720 1.565) 5.660 4.504 ( 4.635 2.676 -2.549) 5.929 4.607 ( -3.947 -2.279 0.095) 4.559 4.654 ( -1.580 -0.912 -3.140) 3.632 4.700 ( 0.256 0.148 3.175) 3.189 4.756 ( 4.385 2.532 -0.251) 5.070 4.775 ( -1.593 -0.920 -1.267) 2.234 4.794 ( 0.455 0.263 1.239) 1.346 4.822 ( 0.368 0.213 -0.726) 0.841 4.961 ( -1.219 -0.704 1.992) 2.439 4.965 ( -0.387 -0.223 -2.695) 2.732 4.997 ( -3.476 -2.007 2.252) 4.603 5.066 ( -0.753 -0.435 -1.370) 1.623 5.068 ( -1.168 -0.674 -2.027) 2.435 5.123 ( 1.463 0.845 1.152) 2.045 5.189 ( 1.607 0.928 1.523) 2.401 5.196 ( 5.138 2.966 1.996) 6.259 5.277 ( 3.209 1.853 -1.516) 4.004 5.354 ( -5.913 -3.414 0.059) 6.828 5.443 ( -3.936 -2.273 -0.323) 4.557 5.896 ( 5.655 3.265 0.054) 6.530 6.122 ( 1.611 0.930 -0.593) 1.953 6.150 ( -0.952 -0.550 0.110) 1.105 6.170 ( 0.337 0.195 0.604) 0.718 6.434 ( 5.483 3.166 -0.298) 6.338 6.456 ( 7.377 4.259 0.385) 8.527 6.475 ( -4.384 -2.531 -0.710) 5.112 6.510 ( -0.710 -0.410 1.053) 1.334 6.653 ( 3.357 1.938 -1.619) 4.201 6.982 ( -4.184 -2.416 8.752) 9.997 7.000 ( -5.772 -3.332 -12.145) 13.853 7.045 ( -5.292 -3.055 4.347) 7.499 7.125 ( -2.406 -1.389 0.688) 2.862 7.350 ( 8.272 4.776 -2.919) 9.988 7.423 ( -3.424 -1.977 0.328) 3.967 7.442 ( -1.695 -0.979 1.961) 2.770 7.535 ( -1.491 -0.861 -0.730) 1.870 7.569 ( 0.283 0.164 -0.951) 1.005 7.634 ( -4.253 -2.456 -0.469) 4.933 7.673 ( 9.409 5.432 3.523) 11.421 7.786 ( 0.799 0.461 -4.698) 4.787 7.825 ( -0.488 -0.282 4.157) 4.195 7.900 ( 5.448 3.145 1.060) 6.380 7.917 ( -4.677 -2.700 3.392) 6.378 8.095 ( 6.668 3.850 -2.796) 8.192 8.379 ( 6.054 3.495 3.576) 7.852 8.528 ( 15.968 9.219 0.286) 18.441 8.637 ( 16.420 9.480 -0.728) 18.974 8.654 ( 14.370 8.297 -1.333) 16.647 8.741 ( 6.459 3.729 -2.803) 7.968 8.936 ( -2.879 -1.662 -0.375) 3.346 8.945 ( -3.920 -2.263 0.900) 4.615 9.724 ( 0.979 0.565 -8.534) 8.608 9.842 ( 8.741 5.046 6.799) 12.169 9.920 ( -10.387 -5.997 8.403) 14.645 10.024 ( 1.704 0.984 -8.187) 8.420 10.713 ( -2.745 -1.585 -7.010) 7.693 10.749 ( 0.315 0.182 7.958) 7.966 10.976 ( -9.518 -5.495 6.518) 12.778 11.006 ( -6.351 -3.667 -6.220) 9.617 11.264 ( -2.484 -1.434 -1.078) 3.065 11.614 ( -13.730 -7.927 -10.506) 19.019 11.806 ( -5.036 -2.908 2.273) 6.244 11.809 ( -9.793 -5.654 7.551) 13.598 11.842 ( -8.174 -4.719 2.736) 9.827 12.022 ( -7.499 -4.329 5.587) 10.305 12.126 ( -1.576 -0.910 -4.560) 4.910 12.158 ( -0.979 -0.565 0.480) 1.228 12.161 ( 3.535 2.041 -3.438) 5.337 12.256 ( -8.224 -4.748 -0.391) 9.504 12.360 ( -6.661 -3.846 -0.400) 7.702 12.560 ( 6.319 3.648 0.345) 7.304 12.598 ( -1.665 -0.961 0.071) 1.924 12.637 ( 4.920 2.841 0.433) 5.698 12.731 ( -4.497 -2.597 0.527) 5.220 12.750 ( -4.970 -2.870 -0.471) 5.759 12.841 ( 3.993 2.305 -0.553) 4.644 12.866 ( 3.953 2.282 0.446) 4.587 16.879 ( -16.427 -9.484 -0.672) 18.980 16.886 ( -15.635 -9.027 0.040) 18.054 17.101 ( -29.483 -17.022 -11.473) 35.925 17.187 ( -14.911 -8.609 5.829) 18.178 17.773 ( -0.726 -0.419 -0.057) 0.840 17.806 ( -0.240 -0.139 0.341) 0.440 17.887 ( 2.399 1.385 10.553) 10.910 18.017 ( 18.800 10.854 -5.964) 22.512 18.108 ( 5.722 3.304 0.734) 6.648 18.137 ( 11.573 6.682 -0.904) 13.394 18.449 ( 46.108 26.620 -4.439) 53.425 18.906 ( 32.872 18.979 18.102) 42.053 19.534 ( 10.826 6.250 -7.960) 14.820 20.095 ( -11.235 -6.486 -3.949) 13.560 20.173 ( -0.449 -0.259 4.604) 4.633 20.192 ( 0.824 0.475 -0.443) 1.049 20.256 ( 6.278 3.625 -0.660) 7.280 20.296 ( 9.132 5.272 0.460) 10.555 20.399 ( 3.984 2.300 1.566) 4.860 20.415 ( 4.528 2.614 -1.715) 5.503 22.486 ( 6.593 3.806 5.942) 9.657 22.812 ( -25.830 -14.913 -6.019) 30.427 23.153 ( -27.056 -15.621 -1.248) 31.267 23.670 ( 6.646 3.837 -1.694) 7.859 24.459 ( -15.008 -8.665 -0.865) 17.352 24.521 ( -6.153 -3.553 0.306) 7.112 25.294 ( -7.319 -4.226 -0.088) 8.452 25.301 ( -4.129 -2.384 0.156) 4.770 25.802 ( -7.537 -4.352 -0.089) 8.704 25.817 ( -6.890 -3.978 0.045) 7.956 ======================= Grid point 2 (3/28) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 25.755 14.870 0.871) 29.752 1.729 ( 23.720 13.695 0.312) 27.391 1.876 ( 11.541 6.663 -1.110) 13.372 1.977 ( 18.001 10.393 -2.452) 20.930 2.171 ( 17.775 10.262 4.324) 20.975 2.195 ( 27.428 15.835 -5.018) 32.066 2.243 ( 29.849 17.234 3.306) 34.625 2.365 ( 6.927 3.999 5.951) 9.970 2.488 ( 24.146 13.941 0.667) 27.890 2.506 ( 16.434 9.488 -5.966) 19.892 2.682 ( 16.277 9.398 -8.486) 20.622 2.776 ( 8.664 5.002 0.967) 10.051 2.852 ( 16.514 9.534 10.004) 21.533 2.985 ( 11.221 6.479 -11.318) 17.204 3.075 ( 7.238 4.179 6.797) 10.772 3.148 ( 9.172 5.295 -1.140) 10.652 3.190 ( 7.385 4.264 -3.894) 9.374 3.233 ( 14.824 8.559 7.329) 18.620 3.347 ( 9.321 5.381 6.707) 12.682 3.444 ( 4.106 2.371 -4.825) 6.764 3.476 ( 12.626 7.290 -1.470) 14.654 3.509 ( 3.983 2.300 -1.153) 4.742 3.651 ( 4.803 2.773 -2.951) 6.282 3.722 ( 6.844 3.951 -3.036) 8.466 3.728 ( 1.090 0.629 -0.403) 1.322 3.808 ( 3.513 2.028 -0.820) 4.138 3.838 ( 7.434 4.292 4.004) 9.472 3.857 ( 5.533 3.194 8.447) 10.591 3.936 ( 5.027 2.902 -1.287) 5.945 3.996 ( -2.881 -1.663 -6.467) 7.272 4.050 ( -1.600 -0.924 7.375) 7.603 4.232 ( -1.418 -0.819 -8.814) 8.965 4.290 ( 1.075 0.621 3.560) 3.770 4.331 ( 0.543 0.314 -1.208) 1.362 4.395 ( -0.672 -0.388 -0.000) 0.776 4.472 ( 3.461 1.998 4.094) 5.721 4.496 ( -2.192 -1.266 1.181) 2.793 4.545 ( -0.642 -0.370 -0.614) 0.962 4.608 ( -2.312 -1.335 -2.705) 3.801 4.612 ( 2.448 1.414 -2.300) 3.645 4.689 ( -1.264 -0.730 2.078) 2.539 4.724 ( -1.949 -1.125 -2.388) 3.281 4.795 ( -1.425 -0.822 0.921) 1.885 4.815 ( -1.350 -0.779 -1.569) 2.212 4.833 ( 0.160 0.092 1.692) 1.702 4.887 ( -4.691 -2.708 1.822) 5.714 4.928 ( -2.327 -1.343 0.005) 2.687 4.968 ( -1.271 -0.734 -2.236) 2.675 5.007 ( -2.160 -1.247 -0.798) 2.619 5.072 ( -0.731 -0.422 0.022) 0.844 5.178 ( 0.582 0.336 5.870) 5.908 5.185 ( -0.228 -0.132 0.856) 0.896 5.208 ( 0.717 0.414 -3.552) 3.647 5.356 ( 6.580 3.799 2.093) 7.881 5.357 ( 1.776 1.025 -1.744) 2.692 5.403 ( 3.184 1.838 -1.190) 3.864 5.997 ( -0.705 -0.407 1.158) 1.415 6.079 ( -5.397 -3.116 -1.884) 6.510 6.142 ( 2.220 1.282 -0.971) 2.741 6.201 ( 0.634 0.366 2.143) 2.265 6.336 ( -7.513 -4.338 1.341) 8.778 6.361 ( -4.694 -2.710 -0.363) 5.433 6.570 ( 5.885 3.397 -2.644) 7.291 6.632 ( 3.180 1.836 7.927) 8.736 6.675 ( -3.109 -1.795 -8.761) 9.468 6.869 ( -5.994 -3.460 6.718) 9.645 6.930 ( 1.781 1.028 -4.355) 4.816 6.982 ( 1.226 0.708 -0.367) 1.462 7.077 ( 0.317 0.183 -1.187) 1.242 7.235 ( -7.038 -4.064 -2.634) 8.543 7.360 ( -3.887 -2.244 -2.829) 5.305 7.410 ( -1.739 -1.004 7.907) 8.158 7.472 ( -7.194 -4.153 3.317) 8.945 7.500 ( -3.111 -1.796 1.215) 3.792 7.675 ( -4.567 -2.637 0.781) 5.331 7.710 ( 0.516 0.298 -11.324) 11.339 7.843 ( 8.075 4.662 -1.360) 9.423 7.955 ( 8.420 4.861 1.280) 9.806 8.022 ( 9.224 5.326 3.974) 11.368 8.028 ( 5.838 3.370 2.916) 7.344 8.343 ( 12.430 7.177 -7.338) 16.120 8.535 ( 5.932 3.425 9.032) 11.335 8.842 ( 2.707 1.563 2.064) 3.746 8.870 ( -1.200 -0.693 -1.415) 1.980 8.901 ( 7.102 4.100 -2.786) 8.661 8.906 ( 8.960 5.173 3.167) 10.820 9.022 ( 13.732 7.928 -4.463) 16.472 9.066 ( 16.014 9.246 -1.040) 18.521 9.606 ( -12.237 -7.065 16.533) 21.748 9.758 ( 1.831 1.057 -17.764) 17.890 10.092 ( 4.315 2.491 -6.620) 8.286 10.128 ( 12.933 7.467 6.775) 16.399 10.610 ( -5.715 -3.299 -2.999) 7.248 10.631 ( -15.622 -9.019 7.723) 19.622 10.785 ( -0.220 -0.127 12.114) 12.117 10.829 ( -8.024 -4.633 -11.270) 14.589 11.171 ( -5.469 -3.158 -6.121) 8.795 11.264 ( -14.532 -8.390 -7.628) 18.432 11.494 ( -15.583 -8.997 2.341) 18.146 11.590 ( -8.193 -4.730 8.886) 12.979 11.746 ( -4.646 -2.682 5.027) 7.352 11.837 ( -8.960 -5.173 -2.769) 10.710 11.979 ( -8.385 -4.841 -1.133) 9.748 11.993 ( -11.939 -6.893 -0.293) 13.789 12.078 ( -6.327 -3.653 -0.472) 7.321 12.106 ( -12.929 -7.464 1.776) 15.034 12.278 ( 3.713 2.144 -6.093) 7.450 12.522 ( -3.306 -1.909 3.809) 5.393 12.552 ( -9.392 -5.422 0.812) 10.875 12.556 ( -9.317 -5.379 -0.854) 10.793 12.689 ( 0.799 0.461 -2.450) 2.618 12.716 ( 0.088 0.051 1.699) 1.702 12.969 ( 6.014 3.472 -0.469) 6.961 12.985 ( 5.448 3.145 0.426) 6.305 16.376 ( -22.820 -13.175 -3.479) 26.579 16.457 ( -19.892 -11.484 1.099) 22.995 16.573 ( -17.022 -9.828 -2.127) 19.771 16.719 ( -18.924 -10.926 4.449) 22.299 17.774 ( 0.805 0.465 1.675) 1.916 17.796 ( -0.633 -0.366 -1.742) 1.889 17.947 ( 2.339 1.350 4.834) 5.537 18.124 ( -1.419 -0.819 -3.289) 3.674 18.383 ( 11.973 6.912 0.505) 13.834 18.399 ( 9.583 5.533 -0.948) 11.106 19.457 ( 21.350 12.326 -8.082) 25.944 19.457 ( 12.562 7.253 13.588) 19.876 19.828 ( 12.014 6.936 -6.945) 15.514 19.963 ( -1.545 -0.892 -6.583) 6.820 20.201 ( -0.228 -0.132 -1.884) 1.902 20.215 ( 3.386 1.955 11.430) 12.080 20.430 ( 3.486 2.013 -2.131) 4.555 20.437 ( 3.955 2.284 1.277) 4.742 20.692 ( 15.149 8.746 12.787) 21.667 20.769 ( 30.757 17.758 -19.925) 40.723 22.172 ( -26.640 -15.381 28.835) 42.163 22.279 ( -14.034 -8.102 -12.424) 20.419 22.761 ( -3.962 -2.287 -11.134) 12.037 23.701 ( -4.344 -2.508 8.961) 10.269 24.031 ( -17.847 -10.304 -11.938) 23.816 24.386 ( -5.479 -3.164 3.767) 7.363 25.065 ( -11.342 -6.549 -1.624) 13.197 25.187 ( -5.255 -3.034 1.474) 6.245 25.548 ( -13.551 -7.824 -0.785) 15.667 25.598 ( -11.003 -6.353 0.488) 12.715 ======================= Grid point 3 (4/28) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 22.365 12.913 0.114) 25.825 1.955 ( -1.347 -0.778 1.497) 2.159 2.087 ( 12.193 7.040 0.706) 14.097 2.321 ( 6.616 3.820 -6.581) 10.083 2.477 ( 7.513 4.338 7.404) 11.405 2.631 ( 9.481 5.474 -2.124) 11.151 2.664 ( 21.657 12.504 1.460) 25.050 2.737 ( 17.602 10.163 -3.233) 20.581 2.976 ( 6.492 3.748 3.444) 8.249 3.010 ( 4.005 2.312 -8.808) 9.948 3.059 ( 17.967 10.373 -4.800) 21.294 3.143 ( 12.908 7.453 2.913) 15.187 3.147 ( 18.565 10.718 6.358) 22.360 3.274 ( 25.079 14.479 -1.203) 28.984 3.310 ( 19.347 11.170 9.344) 24.216 3.361 ( 3.939 2.274 -5.593) 7.209 3.416 ( 14.038 8.105 -0.821) 16.230 3.565 ( 0.957 0.553 -2.144) 2.412 3.615 ( 14.217 8.208 7.507) 18.052 3.657 ( 4.517 2.608 1.396) 5.399 3.668 ( 9.098 5.253 1.342) 10.591 3.687 ( 14.411 8.320 -2.930) 16.897 3.783 ( 3.194 1.844 -1.867) 4.134 3.819 ( 8.877 5.125 -1.046) 10.304 3.836 ( 0.763 0.441 2.320) 2.482 3.872 ( 3.873 2.236 0.353) 4.486 3.926 ( 1.873 1.081 -8.819) 9.081 4.001 ( 5.605 3.236 4.003) 7.609 4.041 ( 5.642 3.257 -7.287) 9.774 4.068 ( 9.387 5.419 5.044) 11.955 4.193 ( 8.347 4.819 2.435) 9.941 4.222 ( 0.334 0.193 2.127) 2.162 4.264 ( -2.380 -1.374 -4.497) 5.270 4.325 ( -0.701 -0.404 -0.971) 1.264 4.403 ( -2.595 -1.498 5.166) 5.972 4.458 ( 2.437 1.407 -2.468) 3.743 4.493 ( -4.779 -2.759 -1.758) 5.791 4.525 ( 1.253 0.723 4.512) 4.739 4.584 ( 1.365 0.788 0.060) 1.577 4.604 ( -1.935 -1.117 -1.963) 2.974 4.641 ( -2.761 -1.594 2.545) 4.079 4.684 ( -3.422 -1.976 -3.373) 5.196 4.702 ( -5.672 -3.275 1.406) 6.699 4.754 ( -5.305 -3.063 2.476) 6.608 4.780 ( -1.382 -0.798 -3.414) 3.768 4.806 ( -0.415 -0.240 -0.312) 0.572 4.844 ( -5.255 -3.034 -0.346) 6.078 4.891 ( -1.374 -0.793 -0.808) 1.781 4.964 ( -2.470 -1.426 2.287) 3.656 4.990 ( -3.081 -1.779 0.128) 3.560 5.244 ( 5.600 3.233 -2.366) 6.886 5.291 ( 5.465 3.155 4.271) 7.619 5.357 ( 9.011 5.203 -5.244) 11.652 5.380 ( 2.165 1.250 -1.077) 2.722 5.487 ( 4.110 2.373 3.910) 6.149 5.566 ( 8.539 4.930 -0.586) 9.877 5.903 ( -3.926 -2.267 0.604) 4.574 5.928 ( -5.040 -2.910 -1.437) 5.995 6.095 ( -9.778 -5.645 3.951) 11.962 6.108 ( -7.063 -4.078 -2.353) 8.488 6.179 ( -5.104 -2.947 2.390) 6.360 6.315 ( -0.865 -0.499 -2.368) 2.570 6.629 ( 2.303 1.329 -3.600) 4.475 6.656 ( 0.403 0.233 -4.371) 4.396 6.669 ( -9.624 -5.557 2.248) 11.338 6.738 ( 4.170 2.408 5.879) 7.599 7.006 ( 0.093 0.054 -5.411) 5.412 7.035 ( 2.392 1.381 5.493) 6.148 7.118 ( 0.072 0.042 1.379) 1.381 7.140 ( -0.254 -0.146 -8.128) 8.133 7.290 ( -1.893 -1.093 -3.771) 4.359 7.352 ( -0.154 -0.089 8.697) 8.699 7.403 ( 3.268 1.887 9.625) 10.338 7.444 ( -0.384 -0.222 2.185) 2.230 7.621 ( -0.319 -0.184 -1.782) 1.819 7.661 ( -2.970 -1.715 -14.531) 14.930 8.010 ( 5.682 3.281 7.614) 10.051 8.052 ( 1.252 0.723 -0.949) 1.729 8.168 ( 5.277 3.047 1.515) 6.279 8.274 ( 9.040 5.219 -3.292) 10.945 8.614 ( 1.026 0.593 8.786) 8.866 8.619 ( 9.938 5.738 -10.452) 15.522 8.862 ( 2.460 1.420 1.374) 3.155 8.914 ( 4.497 2.596 3.116) 6.056 9.021 ( 2.513 1.451 -3.114) 4.256 9.113 ( -3.374 -1.948 -0.058) 3.896 9.203 ( 3.996 2.307 5.151) 6.915 9.254 ( 5.019 2.898 -4.502) 7.338 9.530 ( 4.452 2.571 14.146) 15.052 9.813 ( 1.980 1.143 -25.505) 25.607 10.188 ( -2.486 -1.435 8.274) 8.758 10.318 ( -0.948 -0.547 3.901) 4.052 10.425 ( 11.136 6.429 5.591) 14.022 10.467 ( -6.177 -3.567 3.036) 7.752 10.677 ( -2.681 -1.548 -10.407) 10.858 10.796 ( 0.306 0.176 7.717) 7.725 10.979 ( -8.720 -5.034 -3.447) 10.643 10.999 ( -8.232 -4.753 -15.771) 18.414 11.173 ( -10.319 -5.958 8.707) 14.758 11.414 ( -6.930 -4.001 8.258) 11.499 11.594 ( -8.111 -4.683 1.220) 9.445 11.598 ( -10.840 -6.259 -4.305) 13.237 11.725 ( -10.309 -5.952 0.129) 11.904 11.752 ( -10.433 -6.023 -1.889) 12.194 11.790 ( -12.999 -7.505 1.707) 15.106 11.885 ( -9.548 -5.513 -0.082) 11.026 12.268 ( -11.565 -6.677 -0.065) 13.354 12.276 ( -13.264 -7.658 -0.940) 15.344 12.359 ( 0.654 0.377 -4.904) 4.961 12.449 ( -3.264 -1.884 5.305) 6.508 12.675 ( -1.586 -0.916 -3.527) 3.974 12.675 ( -3.141 -1.813 3.103) 4.773 13.087 ( 3.757 2.169 -0.265) 4.346 13.093 ( 3.530 2.038 0.263) 4.085 15.913 ( -15.952 -9.210 -1.565) 18.486 16.005 ( -16.968 -9.796 1.194) 19.629 16.230 ( -11.962 -6.906 -1.307) 13.875 16.367 ( -11.200 -6.467 2.239) 13.126 17.777 ( -0.787 -0.454 -3.629) 3.741 17.808 ( 1.948 1.125 3.428) 4.100 17.987 ( 1.015 0.586 4.350) 4.505 18.053 ( -4.184 -2.416 -4.500) 6.602 18.555 ( 3.047 1.759 -1.215) 3.723 18.603 ( 6.112 3.529 0.939) 7.119 19.499 ( -7.661 -4.423 -2.077) 9.086 19.539 ( -8.583 -4.955 2.625) 10.252 19.955 ( 0.615 0.355 -2.233) 2.343 20.037 ( 4.190 2.419 -3.453) 5.944 20.224 ( 4.065 2.347 2.018) 5.109 20.270 ( 0.437 0.252 7.426) 7.443 20.472 ( -0.418 -0.241 -0.414) 0.636 20.510 ( 2.947 1.702 -6.342) 7.197 20.821 ( -2.846 -1.643 15.047) 15.402 21.146 ( -4.282 -2.472 -20.461) 21.049 22.116 ( 24.165 13.952 21.571) 35.269 22.340 ( 16.002 9.239 -8.971) 20.540 22.755 ( 4.099 2.366 -11.628) 12.554 23.434 ( -13.966 -8.064 25.089) 29.825 23.810 ( -1.974 -1.140 -26.745) 26.842 24.220 ( -9.269 -5.351 11.020) 15.362 24.793 ( -11.123 -6.422 -6.063) 14.203 25.044 ( -8.285 -4.783 8.198) 12.599 25.196 ( -14.351 -8.286 -6.134) 17.670 25.331 ( -10.893 -6.289 1.585) 12.678 ======================= Grid point 4 (5/28) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -1.552 -0.896 0.884) 1.999 2.292 ( 16.863 9.736 -0.173) 19.473 2.333 ( 6.963 4.020 12.363) 14.747 2.450 ( 6.070 3.505 -18.764) 20.030 2.691 ( 10.521 6.074 5.679) 13.411 2.752 ( 2.630 1.519 -1.090) 3.227 2.873 ( -2.547 -1.470 -4.837) 5.661 2.888 ( -4.015 -2.318 5.208) 6.972 3.135 ( 6.453 3.726 0.645) 7.479 3.225 ( 16.446 9.495 -3.620) 19.332 3.339 ( 4.310 2.488 3.940) 6.348 3.366 ( -1.257 -0.726 1.324) 1.964 3.399 ( 6.211 3.586 0.128) 7.173 3.610 ( 7.111 4.105 -1.432) 8.335 3.637 ( 7.559 4.364 0.990) 8.785 3.670 ( 6.830 3.943 2.348) 8.228 3.678 ( 8.196 4.732 1.172) 9.536 3.736 ( 2.461 1.421 -3.007) 4.138 3.775 ( 12.110 6.992 4.039) 14.555 3.788 ( 7.105 4.102 -1.630) 8.365 3.842 ( 12.091 6.981 -1.108) 14.006 3.883 ( 6.838 3.948 -2.689) 8.341 3.943 ( 7.150 4.128 1.650) 8.419 3.959 ( 5.255 3.034 -3.341) 6.926 4.019 ( 6.915 3.992 0.707) 8.016 4.029 ( 10.649 6.148 -2.239) 12.498 4.060 ( 9.056 5.229 0.835) 10.490 4.136 ( 3.338 1.927 -2.071) 4.375 4.138 ( 5.958 3.440 1.414) 7.023 4.192 ( -1.016 -0.587 0.871) 1.462 4.212 ( -0.897 -0.518 -0.846) 1.338 4.221 ( -3.750 -2.165 -0.780) 4.399 4.258 ( 0.640 0.370 3.659) 3.733 4.303 ( -3.445 -1.989 2.747) 4.834 4.336 ( -5.903 -3.408 -1.549) 6.990 4.348 ( 0.106 0.061 -2.837) 2.840 4.493 ( -2.406 -1.389 -0.923) 2.927 4.498 ( -5.701 -3.291 3.316) 7.371 4.528 ( -6.050 -3.493 2.818) 7.533 4.562 ( -1.091 -0.630 -4.077) 4.267 4.597 ( -2.802 -1.618 3.100) 4.481 4.615 ( -1.122 -0.648 -2.091) 2.460 4.660 ( -4.339 -2.505 1.266) 5.168 4.673 ( 5.425 3.132 0.820) 6.318 4.728 ( -1.849 -1.068 -4.714) 5.175 4.781 ( -0.186 -0.108 1.947) 1.959 4.830 ( 1.200 0.693 0.900) 1.652 4.855 ( -2.609 -1.506 -0.506) 3.055 4.930 ( 0.529 0.305 1.857) 1.955 5.007 ( 3.165 1.827 -1.756) 4.054 5.357 ( 3.695 2.133 -0.044) 4.267 5.362 ( 2.476 1.430 0.224) 2.868 5.487 ( 4.149 2.396 -3.747) 6.083 5.515 ( 0.177 0.102 2.636) 2.644 5.610 ( 9.527 5.501 -2.187) 11.216 5.742 ( 6.005 3.467 2.467) 7.360 5.885 ( -5.143 -2.969 5.228) 7.912 5.915 ( 4.080 2.356 -1.997) 5.117 5.923 ( -5.710 -3.297 -2.708) 7.128 5.938 ( 3.752 2.166 1.086) 4.467 6.052 ( -3.472 -2.004 -1.064) 4.147 6.250 ( -3.316 -1.915 0.372) 3.847 6.401 ( -11.856 -6.845 0.335) 13.694 6.516 ( -11.371 -6.565 -1.594) 13.226 6.794 ( 8.101 4.677 -1.089) 9.418 6.800 ( 1.858 1.073 1.246) 2.481 6.904 ( -5.947 -3.433 -2.958) 7.477 7.051 ( -3.344 -1.931 4.076) 5.615 7.098 ( -0.102 -0.059 2.486) 2.489 7.188 ( 3.570 2.061 -1.713) 4.464 7.284 ( 2.620 1.512 -6.803) 7.445 7.371 ( -0.903 -0.521 4.617) 4.733 7.482 ( 2.141 1.236 3.871) 4.593 7.593 ( -2.339 -1.350 -9.686) 10.056 7.634 ( 11.876 6.857 7.879) 15.815 7.657 ( 4.310 2.489 1.236) 5.128 8.031 ( -2.570 -1.484 -8.950) 9.429 8.132 ( 4.609 2.661 5.946) 7.980 8.256 ( 2.004 1.157 3.372) 4.089 8.414 ( 3.416 1.972 -4.616) 6.071 8.568 ( -5.768 -3.330 2.178) 7.008 8.772 ( 2.675 1.544 -3.152) 4.413 8.943 ( -3.628 -2.095 -1.255) 4.374 8.979 ( 5.377 3.104 1.195) 6.323 8.999 ( -0.348 -0.201 1.884) 1.927 9.075 ( 5.708 3.295 2.167) 6.937 9.286 ( -1.076 -0.621 -0.238) 1.265 9.294 ( -0.417 -0.241 -0.561) 0.739 9.557 ( -1.845 -1.065 5.021) 5.454 9.728 ( -6.943 -4.008 -6.233) 10.155 10.207 ( 6.330 3.654 -3.264) 8.005 10.328 ( -4.877 -2.816 2.074) 6.001 10.472 ( 6.893 3.980 1.782) 8.157 10.560 ( 1.470 0.849 1.408) 2.205 10.783 ( 7.711 4.452 -0.880) 8.947 10.799 ( 1.181 0.682 3.172) 3.453 10.880 ( -0.395 -0.228 -0.810) 0.930 10.922 ( 3.378 1.950 -8.704) 9.538 10.999 ( -3.646 -2.105 4.518) 6.176 11.241 ( -8.949 -5.167 2.949) 10.746 11.378 ( -5.777 -3.335 2.694) 7.195 11.387 ( -9.251 -5.341 -3.843) 11.352 11.507 ( -7.924 -4.575 2.580) 9.506 11.520 ( -7.739 -4.468 -2.775) 9.357 11.527 ( -8.804 -5.083 -0.385) 10.173 11.662 ( -8.206 -4.738 0.452) 9.486 11.959 ( -12.384 -7.150 0.550) 14.311 11.965 ( -11.854 -6.844 -0.726) 13.707 12.382 ( -2.187 -1.263 3.726) 4.501 12.404 ( 2.423 1.399 -5.395) 6.077 12.583 ( -4.339 -2.505 4.155) 6.509 12.631 ( -1.776 -1.026 -2.567) 3.286 13.147 ( 1.517 0.876 -0.108) 1.755 13.151 ( 1.445 0.834 0.107) 1.672 15.628 ( -8.085 -4.668 -0.415) 9.345 15.693 ( -9.153 -5.284 0.494) 10.580 16.018 ( -5.939 -3.429 -0.783) 6.902 16.177 ( -5.042 -2.911 1.014) 5.909 17.768 ( 0.247 0.142 -4.125) 4.135 17.865 ( 2.895 1.672 3.506) 4.845 17.946 ( -4.394 -2.537 -2.260) 5.554 17.993 ( -0.670 -0.387 3.043) 3.140 18.534 ( -4.013 -2.317 -1.613) 4.906 18.649 ( -1.946 -1.123 1.145) 2.521 19.272 ( -7.940 -4.584 -4.439) 10.187 19.274 ( -9.532 -5.503 4.183) 11.775 19.981 ( 1.249 0.721 1.382) 1.997 20.038 ( -2.098 -1.212 -2.299) 3.340 20.264 ( 0.152 0.088 1.994) 2.002 20.362 ( 5.367 3.098 3.161) 6.956 20.433 ( -2.597 -1.500 -2.289) 3.773 20.555 ( 1.015 0.586 -5.693) 5.812 20.746 ( -2.056 -1.187 6.469) 6.891 21.073 ( -0.385 -0.222 -2.624) 2.662 22.602 ( 11.629 6.714 1.900) 13.562 22.697 ( 8.685 5.014 -2.086) 10.243 23.027 ( 18.278 10.553 -10.261) 23.468 23.255 ( 0.687 0.396 16.151) 16.171 23.851 ( 5.197 3.001 -18.991) 19.916 23.953 ( -12.623 -7.288 14.546) 20.593 24.560 ( -8.121 -4.689 -6.948) 11.671 24.700 ( -17.501 -10.104 7.968) 21.723 25.003 ( -4.116 -2.376 -3.902) 6.149 25.117 ( -6.653 -3.841 1.755) 7.880 ======================= Grid point 5 (6/28) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 0.000 -0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 -0.000) 0.000 2.552 ( 0.000 0.000 -0.000) 0.000 2.747 ( 0.000 0.000 -0.000) 0.000 2.816 ( 0.000 0.000 -0.000) 0.000 2.822 ( 0.000 0.000 -0.000) 0.000 2.899 ( 0.000 0.000 -0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 -0.000) 0.000 3.384 ( 0.000 0.000 -0.000) 0.000 3.485 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 -0.000) 0.000 3.653 ( 0.000 0.000 -0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 -0.000) 0.000 3.834 ( 0.000 0.000 -0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.873 ( -0.000 -0.000 0.000) 0.000 3.931 ( 0.000 0.000 -0.000) 0.000 3.972 ( -0.000 -0.000 0.000) 0.000 4.016 ( -0.000 -0.000 -0.000) 0.000 4.071 ( 0.000 0.000 -0.000) 0.000 4.095 ( 0.000 0.000 -0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.116 ( -0.000 -0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.188 ( -0.000 -0.000 -0.000) 0.000 4.225 ( -0.000 -0.000 0.000) 0.000 4.255 ( 0.000 0.000 -0.000) 0.000 4.283 ( -0.000 -0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.346 ( -0.000 -0.000 -0.000) 0.000 4.354 ( -0.000 -0.000 -0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 -0.000) 0.000 4.513 ( -0.000 -0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 -0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 -0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 -0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 -0.000) 0.000 5.037 ( 0.000 0.000 -0.000) 0.000 5.397 ( 0.000 0.000 -0.000) 0.000 5.441 ( 0.000 0.000 -0.000) 0.000 5.481 ( -0.000 -0.000 -0.000) 0.000 5.506 ( -0.000 -0.000 -0.000) 0.000 5.793 ( -0.000 -0.000 -0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 -0.000) 0.000 5.909 ( -0.000 -0.000 -0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.130 ( -0.000 -0.000 0.000) 0.000 6.199 ( -0.000 -0.000 -0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.837 ( -0.000 -0.000 0.000) 0.000 6.898 ( 0.000 0.000 -0.000) 0.000 7.030 ( 0.000 0.000 -0.000) 0.000 7.057 ( 0.000 0.000 -0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 -0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 -0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.965 ( -0.000 -0.000 -0.000) 0.000 8.200 ( 0.000 0.000 -0.000) 0.000 8.270 ( 0.000 0.000 -0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.455 ( -0.000 -0.000 -0.000) 0.000 8.803 ( -0.000 -0.000 -0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 -0.000) 0.000 9.153 ( -0.000 -0.000 -0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.212 ( -0.000 -0.000 0.000) 0.000 9.249 ( 0.000 0.000 -0.000) 0.000 9.525 ( 0.000 0.000 -0.000) 0.000 9.635 ( 0.000 0.000 -0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 -0.000) 0.000 10.585 ( 0.000 0.000 -0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 -0.000) 0.000 10.896 ( -0.000 -0.000 0.000) 0.000 11.012 ( 0.000 0.000 -0.000) 0.000 11.056 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.343 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 -0.000) 0.000 11.402 ( 0.000 0.000 -0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 -0.000) 0.000 12.355 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 -0.000) 0.000 12.499 ( -0.000 -0.000 0.000) 0.000 12.607 ( 0.000 0.000 -0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 15.533 ( 0.000 0.000 -0.000) 0.000 15.583 ( 0.000 0.000 -0.000) 0.000 15.948 ( 0.000 0.000 -0.000) 0.000 16.120 ( 0.000 0.000 -0.000) 0.000 17.781 ( 0.000 0.000 -0.000) 0.000 17.880 ( 0.000 0.000 0.000) 0.000 17.927 ( -0.000 -0.000 -0.000) 0.000 17.960 ( 0.000 0.000 0.000) 0.000 18.463 ( 0.000 0.000 0.000) 0.000 18.599 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.181 ( 0.000 0.000 0.000) 0.000 19.998 ( 0.000 0.000 -0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 20.279 ( 0.000 0.000 -0.000) 0.000 20.386 ( 0.000 0.000 -0.000) 0.000 20.428 ( 0.000 0.000 0.000) 0.000 20.568 ( 0.000 0.000 -0.000) 0.000 20.724 ( 0.000 0.000 0.000) 0.000 21.078 ( 0.000 0.000 -0.000) 0.000 22.728 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 -0.000) 0.000 23.319 ( 0.000 0.000 0.000) 0.000 23.349 ( 0.000 0.000 0.000) 0.000 23.724 ( 0.000 0.000 -0.000) 0.000 23.981 ( 0.000 0.000 -0.000) 0.000 24.413 ( -0.000 -0.000 0.000) 0.000 24.452 ( 0.000 0.000 -0.000) 0.000 24.953 ( 0.000 0.000 -0.000) 0.000 25.036 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/28) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 14.668 25.406 0.000) 29.336 1.557 ( 18.134 31.409 0.000) 36.268 1.813 ( 12.365 21.417 0.000) 24.731 1.857 ( 6.110 10.583 0.000) 12.220 1.985 ( 15.274 26.455 0.000) 30.548 2.048 ( 20.057 34.740 0.000) 40.115 2.081 ( 14.107 24.435 0.000) 28.215 2.253 ( 15.155 26.250 0.000) 30.310 2.403 ( 3.947 6.836 0.000) 7.894 2.439 ( 4.147 7.183 0.000) 8.294 2.575 ( 6.243 10.814 0.000) 12.487 2.677 ( 4.007 6.941 0.000) 8.014 2.844 ( 9.508 16.468 0.000) 19.015 2.894 ( 7.268 12.588 0.000) 14.535 3.006 ( 7.979 13.821 0.000) 15.959 3.018 ( 7.245 12.549 0.000) 14.491 3.184 ( 9.333 16.166 0.000) 18.667 3.199 ( -0.051 -0.089 0.000) 0.103 3.295 ( 0.210 0.364 0.000) 0.420 3.365 ( 8.087 14.007 0.000) 16.174 3.431 ( 1.722 2.982 0.000) 3.443 3.486 ( 2.210 3.828 0.000) 4.420 3.662 ( 3.226 5.587 0.000) 6.451 3.676 ( 3.639 6.303 0.000) 7.278 3.721 ( 0.763 1.321 0.000) 1.526 3.730 ( 2.319 4.016 0.000) 4.638 3.790 ( 1.603 2.776 0.000) 3.206 3.834 ( 3.559 6.165 0.000) 7.118 3.895 ( 2.151 3.726 0.000) 4.303 4.013 ( -1.591 -2.756 0.000) 3.182 4.087 ( -2.630 -4.556 0.000) 5.260 4.192 ( -0.966 -1.673 0.000) 1.932 4.328 ( -0.249 -0.431 0.000) 0.498 4.395 ( 1.197 2.073 0.000) 2.394 4.414 ( 2.433 4.214 0.000) 4.866 4.435 ( 2.088 3.616 0.000) 4.175 4.465 ( -1.619 -2.804 0.000) 3.237 4.554 ( 0.227 0.392 0.000) 0.453 4.584 ( 0.901 1.561 0.000) 1.803 4.650 ( -0.631 -1.094 0.000) 1.263 4.698 ( 0.227 0.392 0.000) 0.453 4.745 ( -1.101 -1.907 0.000) 2.202 4.796 ( 0.101 0.175 0.000) 0.202 4.818 ( -0.335 -0.581 0.000) 0.670 4.828 ( 1.502 2.601 0.000) 3.004 4.945 ( -0.974 -1.688 0.000) 1.949 4.948 ( -1.414 -2.448 0.000) 2.827 4.954 ( -0.406 -0.703 0.000) 0.811 5.015 ( -1.728 -2.993 0.000) 3.456 5.040 ( -1.432 -2.480 0.000) 2.864 5.163 ( 1.972 3.415 0.000) 3.943 5.194 ( -1.782 -3.086 0.000) 3.564 5.246 ( -2.143 -3.711 0.000) 4.286 5.283 ( 2.645 4.581 0.000) 5.290 5.353 ( 3.314 5.741 0.000) 6.629 5.388 ( -1.198 -2.074 0.000) 2.395 6.014 ( 3.783 6.552 0.000) 7.566 6.098 ( -2.256 -3.907 0.000) 4.511 6.154 ( -1.169 -2.025 0.000) 2.339 6.158 ( 0.500 0.867 0.000) 1.001 6.367 ( -3.890 -6.738 0.000) 7.780 6.389 ( -3.351 -5.804 0.000) 6.702 6.530 ( 3.126 5.414 0.000) 6.252 6.660 ( 4.591 7.951 0.000) 9.181 6.705 ( 1.061 1.838 0.000) 2.122 6.799 ( -4.811 -8.333 0.000) 9.622 6.936 ( -0.481 -0.833 0.000) 0.961 6.998 ( -1.591 -2.755 0.000) 3.181 7.164 ( -1.918 -3.323 0.000) 3.837 7.262 ( -3.417 -5.918 0.000) 6.834 7.341 ( -4.009 -6.944 0.000) 8.018 7.494 ( 0.725 1.256 0.000) 1.450 7.511 ( -4.033 -6.986 0.000) 8.067 7.525 ( 4.118 7.132 0.000) 8.236 7.562 ( -2.106 -3.648 0.000) 4.212 7.739 ( -2.737 -4.741 0.000) 5.474 7.837 ( 2.191 3.795 0.000) 4.382 7.883 ( 5.863 10.154 0.000) 11.725 7.926 ( 2.707 4.689 0.000) 5.414 7.946 ( 0.251 0.434 0.000) 0.502 8.341 ( 9.815 17.000 0.000) 19.629 8.509 ( 4.416 7.648 0.000) 8.832 8.820 ( 7.337 12.709 0.000) 14.675 8.823 ( 5.205 9.015 0.000) 10.410 8.870 ( -1.964 -3.402 0.000) 3.929 8.906 ( 6.943 12.026 0.000) 13.886 8.927 ( 2.679 4.640 0.000) 5.358 8.950 ( 9.139 15.828 0.000) 18.277 9.692 ( -6.843 -11.852 0.000) 13.686 9.760 ( 0.481 0.833 0.000) 0.961 10.037 ( 4.827 8.360 0.000) 9.653 10.043 ( 2.746 4.756 0.000) 5.492 10.689 ( -2.621 -4.540 0.000) 5.243 10.709 ( -1.476 -2.557 0.000) 2.953 10.777 ( -6.407 -11.097 0.000) 12.814 10.868 ( -5.162 -8.941 0.000) 10.325 11.200 ( -2.847 -4.931 0.000) 5.694 11.440 ( -6.330 -10.963 0.000) 12.659 11.516 ( -7.795 -13.502 0.000) 15.591 11.606 ( -8.510 -14.739 0.000) 17.019 11.791 ( -2.634 -4.563 0.000) 5.269 11.917 ( -4.002 -6.932 0.000) 8.005 12.030 ( -4.267 -7.390 0.000) 8.533 12.078 ( -6.431 -11.139 0.000) 12.862 12.108 ( -2.927 -5.070 0.000) 5.854 12.185 ( -7.065 -12.236 0.000) 14.129 12.241 ( 2.307 3.996 0.000) 4.615 12.538 ( -2.607 -4.515 0.000) 5.213 12.630 ( -4.695 -8.132 0.000) 9.390 12.639 ( -3.287 -5.693 0.000) 6.574 12.648 ( 1.048 1.815 0.000) 2.095 12.699 ( 0.732 1.268 0.000) 1.464 12.930 ( 3.446 5.968 0.000) 6.891 12.950 ( 3.105 5.377 0.000) 6.209 16.365 ( -13.916 -24.104 0.000) 27.833 16.488 ( -12.914 -22.367 0.000) 25.827 17.111 ( -6.412 -11.105 0.000) 12.823 17.177 ( -7.282 -12.612 0.000) 14.563 17.334 ( -3.336 -5.778 0.000) 6.672 17.581 ( -2.953 -5.115 0.000) 5.907 17.924 ( -1.675 -2.901 0.000) 3.349 18.021 ( -3.073 -5.323 0.000) 6.146 18.345 ( 6.751 11.693 0.000) 13.502 18.402 ( 6.570 11.379 0.000) 13.139 19.341 ( 23.043 39.912 0.000) 46.087 19.483 ( 15.559 26.950 0.000) 31.119 19.712 ( 5.037 8.724 0.000) 10.074 19.979 ( -1.920 -3.326 0.000) 3.840 20.139 ( -0.311 -0.538 0.000) 0.621 20.246 ( 2.100 3.637 0.000) 4.199 20.332 ( 2.326 4.029 0.000) 4.652 20.492 ( 4.062 7.035 0.000) 8.124 20.551 ( 11.613 20.115 0.000) 23.226 20.658 ( 13.870 24.024 0.000) 27.741 22.350 ( -14.718 -25.491 0.000) 29.435 22.530 ( -2.095 -3.629 0.000) 4.190 22.633 ( -15.874 -27.495 0.000) 31.749 23.721 ( -0.144 -0.249 0.000) 0.287 24.143 ( -11.740 -20.334 0.000) 23.480 24.420 ( -3.147 -5.450 0.000) 6.293 25.134 ( -6.285 -10.886 0.000) 12.570 25.219 ( -3.005 -5.205 0.000) 6.011 25.629 ( -7.083 -12.268 0.000) 14.166 25.665 ( -6.009 -10.407 0.000) 12.017 ======================= Grid point 13 (8/28) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 18.293 17.438 0.468) 25.277 1.965 ( 6.723 8.474 -2.023) 11.005 2.038 ( 1.464 9.628 1.751) 9.895 2.255 ( 14.189 13.745 -1.595) 19.819 2.382 ( 8.459 8.920 4.621) 13.133 2.434 ( 11.126 7.768 -1.025) 13.608 2.575 ( 8.156 15.397 -2.694) 17.631 2.645 ( 9.195 14.455 -0.199) 17.133 2.789 ( 20.409 20.570 2.700) 29.102 2.854 ( 18.265 14.288 0.467) 23.195 2.932 ( 12.994 15.784 -5.177) 21.090 2.978 ( 21.618 19.166 -0.508) 28.895 3.142 ( -1.071 12.837 -4.625) 13.686 3.186 ( 0.835 10.370 0.361) 10.410 3.222 ( 8.215 14.673 8.654) 18.913 3.322 ( 12.346 15.026 -3.547) 19.768 3.365 ( 9.855 12.245 6.074) 16.851 3.428 ( 11.879 10.711 -2.574) 16.200 3.532 ( 9.470 8.085 -0.571) 12.464 3.564 ( 10.850 10.612 2.555) 15.390 3.591 ( 3.780 6.866 -0.780) 7.876 3.605 ( 6.565 5.381 0.178) 8.490 3.747 ( 3.167 2.158 -1.327) 4.055 3.759 ( 1.480 4.660 -4.932) 6.945 3.818 ( 5.446 4.052 4.388) 8.083 3.850 ( 2.256 3.674 2.787) 5.134 3.879 ( 6.457 3.478 1.036) 7.407 3.948 ( -0.649 2.209 -3.049) 3.821 3.986 ( 3.029 4.806 -7.306) 9.255 4.006 ( 3.163 2.628 1.584) 4.407 4.073 ( 6.742 2.582 6.756) 9.888 4.185 ( 2.624 -4.398 -3.179) 6.028 4.317 ( -0.407 1.807 0.940) 2.077 4.362 ( -4.869 1.179 -1.887) 5.353 4.436 ( 0.021 -2.459 1.149) 2.715 4.464 ( -1.326 4.550 -0.219) 4.744 4.503 ( 1.311 0.686 2.721) 3.097 4.530 ( -1.804 -1.444 0.468) 2.357 4.603 ( -0.829 -1.152 -2.337) 2.734 4.620 ( -0.686 -0.789 0.559) 1.186 4.693 ( -2.764 2.041 -0.734) 3.513 4.715 ( -1.738 -0.651 -1.584) 2.440 4.755 ( -2.344 -3.472 1.693) 4.518 4.785 ( -2.915 0.053 0.292) 2.930 4.831 ( -1.801 -1.197 -1.741) 2.776 4.861 ( -5.032 -0.550 1.999) 5.443 4.878 ( -4.200 -4.349 0.314) 6.054 4.904 ( -1.207 -2.210 -0.238) 2.529 4.985 ( 0.948 -4.415 -1.933) 4.912 4.996 ( -1.502 -0.765 2.030) 2.638 5.143 ( 3.388 -0.548 -1.765) 3.860 5.283 ( 6.444 4.928 -1.090) 8.185 5.294 ( 2.410 8.020 1.688) 8.542 5.334 ( -0.665 -0.916 1.924) 2.232 5.416 ( 6.646 1.206 -2.266) 7.124 5.481 ( 5.398 4.266 0.906) 6.940 5.963 ( -6.359 -3.939 1.056) 7.555 6.008 ( -7.992 -4.457 -1.913) 9.349 6.097 ( -0.251 -6.864 -1.868) 7.118 6.141 ( 0.199 -10.357 2.518) 10.661 6.234 ( -7.428 -0.193 1.620) 7.605 6.328 ( 0.179 1.318 -0.317) 1.368 6.613 ( 2.044 -2.618 3.904) 5.126 6.632 ( -2.862 -2.603 -6.047) 7.179 6.681 ( -0.347 0.278 -0.485) 0.658 6.840 ( -1.786 6.218 2.278) 6.859 6.937 ( 2.346 -1.570 0.746) 2.920 6.996 ( 3.262 1.182 -3.783) 5.133 7.139 ( -0.157 1.274 4.951) 5.114 7.152 ( -0.558 -0.691 -6.859) 6.916 7.265 ( 0.286 -2.843 2.599) 3.863 7.357 ( -3.649 -5.625 2.081) 7.021 7.427 ( -4.377 -2.077 3.353) 5.892 7.517 ( -2.447 3.749 2.790) 5.276 7.606 ( -3.370 0.556 -4.420) 5.586 7.786 ( 9.048 -1.051 -2.084) 9.344 7.818 ( -2.256 0.796 -6.902) 7.305 8.005 ( 7.709 -1.741 4.447) 9.068 8.021 ( 5.065 -0.569 3.343) 6.095 8.130 ( 7.839 6.576 -0.562) 10.247 8.610 ( 1.307 4.048 2.546) 4.958 8.671 ( 6.245 15.576 -3.708) 17.187 8.841 ( 1.089 0.742 -0.203) 1.333 8.933 ( 1.760 7.656 5.375) 9.519 8.976 ( 4.258 3.200 -4.089) 6.714 9.109 ( 4.256 9.410 1.002) 10.376 9.196 ( 4.177 5.142 -1.258) 6.743 9.215 ( 4.419 7.022 -5.180) 9.781 9.469 ( -0.384 -4.685 13.977) 14.747 9.831 ( 1.768 6.796 -15.919) 17.399 10.084 ( 4.586 -4.128 2.939) 6.835 10.232 ( 3.383 -3.026 2.434) 5.151 10.482 ( -4.452 2.479 7.976) 9.464 10.596 ( -7.689 -0.298 -1.967) 7.942 10.679 ( -3.751 -7.306 -6.230) 10.309 10.751 ( 3.412 -3.059 5.291) 6.999 11.046 ( -7.040 -8.651 -7.790) 13.605 11.158 ( -12.881 -3.572 -4.601) 14.137 11.269 ( -8.864 -10.925 4.090) 14.651 11.365 ( -0.235 -13.482 6.377) 14.916 11.640 ( -6.600 -8.884 -1.005) 11.113 11.726 ( -8.874 -7.737 0.144) 11.774 11.836 ( -8.128 -8.833 0.977) 12.043 11.848 ( -8.668 -7.249 -1.565) 11.408 11.914 ( -9.213 -8.932 1.134) 12.882 11.950 ( -6.501 -8.786 -0.125) 10.930 12.288 ( 0.237 -2.501 -2.734) 3.713 12.379 ( -7.162 -9.388 0.674) 11.827 12.420 ( -8.229 -6.283 -1.067) 10.408 12.528 ( -5.850 -0.232 3.392) 6.766 12.648 ( 0.790 -4.147 -2.467) 4.889 12.683 ( -1.041 -3.263 1.132) 3.607 13.046 ( 3.501 3.523 -0.135) 4.968 13.056 ( 3.283 3.314 0.133) 4.667 15.956 ( -8.561 -17.009 -0.644) 19.053 16.079 ( -9.791 -17.129 0.358) 19.733 16.666 ( -31.502 6.612 -1.789) 32.238 16.736 ( -26.385 2.994 2.136) 26.640 17.468 ( 23.188 -26.164 3.149) 35.102 17.599 ( 14.109 -18.025 -1.983) 22.976 17.862 ( -0.957 -3.708 -0.219) 3.836 17.923 ( 0.595 -8.797 -0.935) 8.866 18.496 ( 2.435 -0.338 0.504) 2.509 18.540 ( 0.460 1.872 -0.583) 2.014 19.693 ( -3.981 7.676 1.219) 8.733 19.765 ( -5.014 14.255 -0.649) 15.126 19.941 ( 4.322 4.281 -1.392) 6.240 19.967 ( 7.827 1.715 -2.349) 8.350 20.121 ( 1.061 -4.929 5.301) 7.316 20.266 ( -4.261 5.973 -2.857) 7.874 20.440 ( 7.068 0.098 1.380) 7.202 20.603 ( 1.227 6.464 0.972) 6.650 21.098 ( -8.139 30.466 13.733) 34.395 21.177 ( 15.403 20.011 -21.301) 33.037 22.038 ( 12.350 -13.218 -10.821) 21.079 22.135 ( -13.456 11.512 29.695) 34.574 22.565 ( 12.208 -12.938 -15.460) 23.568 23.616 ( -12.568 -5.126 24.608) 28.103 23.779 ( -2.515 -12.467 -25.619) 28.602 24.289 ( -5.572 -6.580 4.537) 9.743 24.878 ( -8.831 -11.225 -2.426) 14.487 25.099 ( -4.476 -5.527 2.438) 7.519 25.316 ( -12.035 -14.711 -1.635) 19.077 25.417 ( -8.815 -11.050 0.641) 14.150 ======================= Grid point 14 (9/28) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -2.224 4.931 4.300) 6.911 2.042 ( 13.049 7.966 -3.745) 15.740 2.281 ( 10.424 10.485 0.986) 14.818 2.469 ( 2.852 10.024 -6.270) 12.163 2.574 ( 7.615 4.627 6.159) 10.832 2.692 ( 7.888 1.143 0.848) 8.015 2.835 ( 4.081 6.230 -1.664) 7.631 2.995 ( 6.645 10.861 -1.732) 12.850 3.070 ( 8.988 6.170 -6.145) 12.514 3.140 ( 1.092 14.693 1.804) 14.843 3.261 ( 7.495 4.260 7.016) 11.115 3.332 ( 8.083 13.126 -0.464) 15.422 3.452 ( -0.603 6.366 -1.791) 6.641 3.463 ( 13.806 13.306 2.325) 19.315 3.526 ( 11.979 12.493 -0.308) 17.311 3.620 ( 10.943 11.658 0.926) 16.016 3.628 ( 3.070 9.246 -1.726) 9.894 3.689 ( 6.167 2.355 1.769) 6.835 3.701 ( 10.358 12.842 2.084) 16.630 3.720 ( 3.759 4.623 -0.244) 5.963 3.785 ( 0.614 2.718 2.402) 3.679 3.853 ( 3.567 6.778 -0.670) 7.689 3.868 ( 8.351 5.237 -4.592) 10.875 3.899 ( 8.919 9.980 -1.824) 13.509 3.920 ( 5.434 5.791 0.737) 7.975 3.951 ( 7.137 6.105 -1.004) 9.446 3.982 ( 3.772 4.384 -1.864) 6.076 4.054 ( 6.859 3.667 -0.012) 7.778 4.096 ( 4.028 0.906 -1.490) 4.390 4.167 ( 4.592 0.040 2.310) 5.141 4.183 ( 1.775 -0.520 -1.457) 2.355 4.208 ( 5.243 1.175 4.320) 6.894 4.270 ( -4.634 -1.550 -1.887) 5.238 4.337 ( -2.409 -0.139 1.944) 3.099 4.379 ( -2.653 0.428 -1.244) 2.961 4.441 ( -5.244 -1.774 0.113) 5.537 4.468 ( -1.736 -3.153 0.195) 3.604 4.548 ( 1.989 0.114 1.812) 2.693 4.563 ( 0.807 -1.944 0.402) 2.142 4.597 ( -1.570 -1.909 -1.527) 2.905 4.618 ( -5.167 -1.329 -0.532) 5.362 4.655 ( -3.883 1.586 1.524) 4.463 4.690 ( -1.746 3.581 -0.099) 3.985 4.742 ( -2.924 1.065 -1.143) 3.315 4.770 ( -3.044 -0.243 -2.105) 3.709 4.796 ( -2.326 1.453 1.524) 3.138 4.844 ( -1.213 2.061 -0.102) 2.393 4.878 ( -1.130 0.700 0.715) 1.510 4.952 ( -1.577 1.139 2.062) 2.835 4.982 ( 1.054 1.330 -2.340) 2.891 5.261 ( 7.911 -0.085 -1.469) 8.047 5.304 ( 2.573 -3.066 2.763) 4.863 5.430 ( 5.158 4.109 -1.896) 6.862 5.502 ( 7.889 6.001 -1.819) 10.078 5.514 ( 2.753 2.335 1.231) 3.815 5.662 ( 8.633 3.338 0.768) 9.288 5.835 ( -0.359 -5.851 -0.864) 5.925 5.866 ( 0.310 -4.189 -0.415) 4.220 5.943 ( -5.323 -9.234 -1.268) 10.734 5.962 ( -5.807 -8.207 3.710) 10.716 6.113 ( -6.185 -0.725 1.320) 6.366 6.296 ( -3.846 -1.592 -3.469) 5.418 6.486 ( -5.930 -9.749 2.900) 11.773 6.603 ( -5.145 -5.111 -1.996) 7.522 6.746 ( 4.546 7.982 -2.122) 9.428 6.788 ( -2.266 -2.198 2.141) 3.814 6.965 ( -0.637 -5.078 -1.577) 5.355 7.035 ( -0.595 3.200 3.462) 4.752 7.147 ( -1.043 -0.329 -6.089) 6.186 7.185 ( 0.792 5.292 2.248) 5.804 7.265 ( 0.537 1.181 -5.191) 5.351 7.345 ( 4.478 -0.994 4.467) 6.402 7.435 ( 2.665 5.174 10.618) 12.109 7.545 ( 3.481 0.769 0.092) 3.566 7.587 ( 1.361 4.356 -2.028) 4.994 7.731 ( -6.001 3.751 -8.755) 11.257 7.963 ( 8.358 -4.347 -0.985) 9.472 8.085 ( 3.020 1.452 3.005) 4.501 8.132 ( 8.912 -4.698 4.076) 10.868 8.259 ( 5.210 -1.908 -3.645) 6.638 8.658 ( -1.466 4.037 3.303) 5.418 8.871 ( -0.294 6.947 -6.302) 9.384 8.922 ( 3.246 5.564 2.012) 6.749 8.957 ( 0.148 -0.996 -1.884) 2.136 9.027 ( -7.238 -4.009 1.185) 8.359 9.101 ( 1.057 8.073 3.523) 8.872 9.257 ( 3.285 1.443 0.650) 3.646 9.306 ( -0.864 2.951 -2.403) 3.903 9.546 ( 2.830 -0.528 7.053) 7.618 9.788 ( -7.738 -8.080 -10.295) 15.203 10.137 ( 7.258 3.649 1.207) 8.212 10.293 ( 6.423 -0.490 0.584) 6.468 10.447 ( -0.235 -2.352 0.237) 2.375 10.538 ( -4.198 1.384 9.684) 10.645 10.704 ( 6.341 5.708 -3.169) 9.101 10.792 ( 2.989 -0.243 -1.653) 3.424 10.885 ( -0.275 -2.023 -9.786) 9.997 10.941 ( -6.936 -1.068 -1.340) 7.145 11.066 ( -6.195 -4.169 5.775) 9.440 11.246 ( 0.007 -9.533 4.300) 10.458 11.404 ( -7.293 -11.428 -2.152) 13.727 11.458 ( -10.093 -10.635 2.593) 14.890 11.585 ( -9.145 -8.160 -1.994) 12.418 11.618 ( -8.870 -6.473 -2.883) 11.353 11.708 ( -9.496 -0.942 3.027) 10.011 11.728 ( -6.749 -8.697 -0.070) 11.009 12.088 ( -10.821 -9.278 -0.282) 14.257 12.106 ( -11.656 -8.959 0.054) 14.702 12.366 ( 1.522 -0.356 -4.186) 4.468 12.425 ( -4.553 -1.138 3.902) 6.103 12.597 ( -1.687 -5.333 1.786) 5.872 12.618 ( -0.447 -4.748 -1.834) 5.109 13.119 ( 2.246 0.835 -0.047) 2.397 13.125 ( 2.107 0.918 0.046) 2.299 15.713 ( -5.693 -6.071 -0.224) 8.326 15.799 ( -8.053 -6.695 0.089) 10.473 16.247 ( -21.112 3.523 -0.854) 21.421 16.358 ( -17.819 1.831 1.407) 17.968 17.574 ( 18.920 -26.131 1.520) 32.297 17.648 ( 14.586 -22.728 -2.004) 27.080 17.828 ( 1.769 -3.690 -0.774) 4.165 17.874 ( 1.982 -4.702 0.156) 5.105 18.383 ( -4.245 -15.827 0.674) 16.400 18.468 ( -1.679 -12.571 -0.063) 12.683 19.626 ( -12.841 11.089 0.994) 16.995 19.730 ( -12.553 15.592 -0.907) 20.038 19.963 ( -4.429 -3.140 -3.114) 6.259 20.002 ( 4.944 -2.360 1.579) 5.702 20.208 ( 1.440 5.009 1.572) 5.444 20.296 ( 3.679 3.797 -0.311) 5.296 20.501 ( -1.485 1.694 2.224) 3.165 20.691 ( 2.495 3.121 -2.872) 4.921 21.010 ( -22.759 24.346 7.171) 34.090 21.259 ( -12.487 12.769 -8.277) 19.685 22.376 ( 19.764 1.948 5.894) 20.716 22.433 ( 21.950 2.617 1.025) 22.129 22.813 ( 18.522 9.377 -12.485) 24.225 23.351 ( -9.057 1.298 20.268) 22.237 23.747 ( 5.350 -4.442 -21.318) 22.424 24.074 ( -9.575 -8.660 10.933) 16.917 24.620 ( -7.470 -9.971 -6.294) 13.959 24.866 ( -14.727 -13.135 9.098) 21.730 25.011 ( -3.871 -9.261 -6.682) 12.058 25.158 ( -6.944 -10.739 1.562) 12.884 ======================= Grid point 15 (10/28) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.444 6.192 0.361) 7.630 2.276 ( 7.266 -1.424 1.525) 7.560 2.538 ( 5.868 7.294 -0.951) 9.410 2.619 ( 3.060 7.354 -4.965) 9.386 2.714 ( 4.386 -4.245 5.014) 7.899 2.787 ( 1.067 2.490 0.635) 2.783 2.886 ( -2.581 10.104 -4.947) 11.542 3.030 ( -5.039 11.335 3.141) 12.796 3.220 ( -8.125 4.629 -0.453) 9.362 3.324 ( 4.961 1.550 -1.127) 5.318 3.382 ( -2.873 1.939 -0.308) 3.479 3.452 ( 3.060 3.724 0.731) 4.875 3.466 ( 4.129 4.902 3.204) 7.165 3.644 ( 1.054 -1.584 1.555) 2.457 3.658 ( 1.020 1.089 -0.624) 1.618 3.736 ( -1.668 2.573 -0.893) 3.194 3.820 ( 3.206 0.982 -0.183) 3.358 3.841 ( 4.871 7.279 0.547) 8.776 3.853 ( 5.566 10.710 -2.354) 12.297 3.930 ( 8.957 4.334 0.827) 9.985 3.939 ( 5.083 4.282 -0.624) 6.676 4.007 ( 2.440 2.058 0.165) 3.196 4.031 ( 1.100 3.508 1.715) 4.057 4.045 ( 2.994 2.393 -2.914) 4.815 4.080 ( 2.302 -1.449 0.131) 2.723 4.095 ( 2.519 2.872 -1.273) 4.027 4.120 ( 3.697 2.060 1.189) 4.396 4.145 ( -2.511 -2.637 -1.689) 4.013 4.176 ( -0.258 1.043 0.635) 1.248 4.199 ( 3.915 3.292 1.215) 5.257 4.221 ( 3.184 2.655 0.610) 4.190 4.243 ( 3.417 3.950 -0.013) 5.222 4.254 ( -3.163 0.686 -1.289) 3.484 4.295 ( 1.369 2.757 0.718) 3.161 4.314 ( -0.830 0.937 1.224) 1.751 4.374 ( -1.451 -0.527 -0.566) 1.644 4.414 ( 1.634 0.182 -1.986) 2.579 4.455 ( -8.007 -0.795 2.146) 8.327 4.494 ( -6.867 -1.423 0.107) 7.014 4.537 ( -3.100 -2.267 1.477) 4.115 4.575 ( 0.996 1.890 -1.284) 2.493 4.650 ( -5.253 3.533 0.076) 6.331 4.669 ( -4.431 1.338 0.700) 4.681 4.703 ( -1.238 -0.891 -2.216) 2.691 4.773 ( 0.792 3.800 0.305) 3.893 4.803 ( 0.540 2.545 1.065) 2.812 4.824 ( -2.330 0.773 -0.016) 2.455 4.853 ( -2.662 1.199 -0.187) 2.925 4.963 ( -0.139 3.211 1.072) 3.388 5.035 ( 1.288 1.820 -0.794) 2.367 5.347 ( 2.382 -3.702 0.662) 4.452 5.374 ( 4.755 -0.684 -1.302) 4.977 5.515 ( 0.266 1.264 -2.772) 3.059 5.534 ( 0.812 1.939 2.611) 3.352 5.692 ( 5.396 -0.742 0.627) 5.482 5.737 ( 4.230 -7.600 -0.518) 8.714 5.794 ( 2.057 -4.856 -3.703) 6.444 5.863 ( 1.244 3.869 6.346) 7.536 5.931 ( 3.717 -2.884 -1.867) 5.062 5.944 ( 7.699 -0.182 0.937) 7.758 6.052 ( 4.434 1.511 -1.992) 5.090 6.196 ( -6.399 -3.671 5.433) 9.162 6.274 ( -4.386 -4.246 -4.353) 7.497 6.344 ( -12.442 -9.765 -1.272) 15.867 6.747 ( 3.437 -6.440 2.136) 7.606 6.847 ( -2.076 -2.302 -5.516) 6.327 6.933 ( -0.520 5.077 5.517) 7.515 7.032 ( 1.842 2.316 1.296) 3.231 7.122 ( -3.215 3.422 -4.039) 6.193 7.270 ( -0.277 5.766 1.154) 5.887 7.319 ( 0.862 -1.292 0.409) 1.606 7.325 ( -1.139 -0.681 -1.998) 2.399 7.522 ( 1.376 3.536 6.302) 7.356 7.617 ( -0.835 4.301 -6.224) 7.612 7.693 ( -0.246 1.152 -1.874) 2.213 7.775 ( 10.465 3.977 10.393) 15.276 7.956 ( -2.226 -5.808 -10.783) 12.449 8.176 ( 4.221 0.177 4.745) 6.353 8.199 ( 3.833 -3.069 0.282) 4.918 8.345 ( 6.893 -3.538 -0.630) 7.773 8.566 ( -8.359 0.975 -1.902) 8.628 8.791 ( -3.252 -4.380 2.655) 6.067 8.909 ( 1.643 -5.093 3.197) 6.234 8.988 ( -3.858 6.161 -6.051) 9.458 9.093 ( 6.098 4.477 0.276) 7.570 9.190 ( 1.708 4.798 1.401) 5.282 9.256 ( -4.011 -3.585 0.227) 5.384 9.278 ( -2.412 2.853 0.300) 3.747 9.541 ( -1.372 -0.174 0.814) 1.605 9.616 ( -1.226 -5.919 -1.268) 6.177 10.217 ( 1.377 -1.872 -0.628) 2.407 10.334 ( -2.213 1.502 0.339) 2.696 10.538 ( 3.261 2.211 2.394) 4.610 10.569 ( 7.176 3.986 -2.540) 8.593 10.775 ( -0.570 -3.125 1.808) 3.655 10.834 ( 4.462 0.960 -3.611) 5.820 10.917 ( -1.019 0.286 2.893) 3.081 11.003 ( 7.277 3.778 -3.737) 9.011 11.008 ( 2.597 3.249 2.141) 4.678 11.104 ( -8.993 -7.414 1.363) 11.734 11.215 ( -2.437 -8.030 -0.713) 8.422 11.255 ( 2.568 -6.299 2.584) 7.276 11.365 ( -5.432 -7.679 -2.342) 9.693 11.399 ( -6.491 -7.175 -1.111) 9.739 11.569 ( -6.869 3.697 2.534) 8.202 11.614 ( -1.368 1.555 -1.372) 2.484 11.828 ( -8.126 -5.513 0.616) 9.839 11.843 ( -7.127 -4.806 -0.571) 8.615 12.353 ( -1.108 -1.616 1.698) 2.593 12.412 ( 3.675 -0.715 -4.349) 5.738 12.501 ( -2.231 -5.231 3.853) 6.869 12.578 ( 0.993 -4.004 -1.256) 4.312 13.148 ( 1.139 -0.687 -0.005) 1.330 13.154 ( 1.012 -0.534 0.004) 1.144 15.612 ( -5.150 4.092 -0.061) 6.578 15.661 ( -5.441 3.278 0.108) 6.353 16.008 ( -7.853 0.976 -0.414) 7.924 16.162 ( -5.627 0.385 0.511) 5.663 17.603 ( 13.941 -23.964 -0.877) 27.738 17.664 ( 16.288 -27.130 0.332) 31.646 17.857 ( 3.686 -1.166 -1.775) 4.254 17.894 ( 2.577 -0.787 1.470) 3.070 18.136 ( 0.657 -20.178 1.383) 20.236 18.294 ( 1.301 -15.341 -0.588) 15.407 19.521 ( -12.678 15.383 -0.193) 19.935 19.698 ( -14.674 25.494 1.878) 29.475 19.845 ( 0.146 -9.035 -4.056) 9.904 20.097 ( 1.934 5.557 5.059) 7.759 20.216 ( -2.653 1.653 -3.845) 4.955 20.407 ( 3.393 2.468 0.342) 4.209 20.467 ( -4.107 2.798 1.548) 5.205 20.725 ( 0.032 0.192 -1.319) 1.333 20.922 ( -16.872 26.178 1.200) 31.167 21.202 ( -8.459 12.765 -0.745) 15.332 22.625 ( 9.662 -3.683 -0.075) 10.341 22.687 ( 7.560 -4.270 0.028) 8.682 23.243 ( 12.296 9.003 -4.735) 15.958 23.371 ( 1.914 9.815 5.581) 11.452 23.786 ( -6.141 -7.056 6.512) 11.398 23.877 ( 6.072 -1.931 -7.968) 10.202 24.433 ( -2.686 -7.105 -3.552) 8.385 24.467 ( -11.365 -11.450 4.804) 16.833 24.904 ( 0.977 -7.273 -1.479) 7.486 24.986 ( -0.147 -9.028 0.919) 9.076 ======================= Grid point 23 (11/28) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 8.258 14.304 0.000) 16.517 2.156 ( 1.937 3.355 0.000) 3.874 2.179 ( 6.414 11.109 0.000) 12.828 2.498 ( 5.387 9.330 0.000) 10.773 2.556 ( 4.485 7.768 0.000) 8.969 2.562 ( 3.768 6.527 0.000) 7.537 2.846 ( 7.034 12.183 0.000) 14.068 2.965 ( 8.533 14.780 0.000) 17.067 3.018 ( 5.488 9.506 0.000) 10.977 3.181 ( 4.117 7.131 0.000) 8.234 3.245 ( 9.290 16.092 0.000) 18.581 3.345 ( 6.300 10.912 0.000) 12.601 3.428 ( 11.199 19.397 0.000) 22.397 3.508 ( 9.795 16.966 0.000) 19.591 3.523 ( 3.913 6.778 0.000) 7.827 3.563 ( 6.718 11.635 0.000) 13.435 3.601 ( 7.135 12.359 0.000) 14.271 3.679 ( 3.285 5.689 0.000) 6.569 3.707 ( 5.454 9.447 0.000) 10.908 3.712 ( 4.605 7.976 0.000) 9.210 3.761 ( 4.578 7.929 0.000) 9.155 3.786 ( 1.590 2.754 0.000) 3.180 3.863 ( 8.481 14.689 0.000) 16.962 3.867 ( 3.341 5.787 0.000) 6.682 3.921 ( 3.160 5.473 0.000) 6.320 3.951 ( 4.820 8.349 0.000) 9.640 3.984 ( 2.315 4.010 0.000) 4.630 4.027 ( 3.496 6.055 0.000) 6.992 4.027 ( 0.861 1.492 0.000) 1.722 4.088 ( 1.061 1.839 0.000) 2.123 4.143 ( 4.000 6.929 0.000) 8.001 4.172 ( 1.541 2.669 0.000) 3.082 4.319 ( -0.367 -0.636 0.000) 0.734 4.364 ( -0.065 -0.112 0.000) 0.129 4.410 ( -0.564 -0.977 0.000) 1.128 4.468 ( -1.359 -2.353 0.000) 2.717 4.469 ( -3.457 -5.987 0.000) 6.913 4.515 ( -0.549 -0.950 0.000) 1.097 4.565 ( -0.433 -0.750 0.000) 0.866 4.569 ( -1.626 -2.817 0.000) 3.252 4.688 ( -0.376 -0.651 0.000) 0.751 4.692 ( -1.269 -2.197 0.000) 2.537 4.745 ( 0.494 0.856 0.000) 0.988 4.775 ( -1.405 -2.433 0.000) 2.809 4.800 ( -0.046 -0.080 0.000) 0.093 4.830 ( 1.570 2.719 0.000) 3.139 4.893 ( 1.385 2.399 0.000) 2.770 4.897 ( -0.458 -0.794 0.000) 0.917 4.960 ( 1.925 3.334 0.000) 3.849 5.011 ( 1.317 2.281 0.000) 2.634 5.149 ( 1.245 2.156 0.000) 2.489 5.252 ( -1.952 -3.381 0.000) 3.905 5.430 ( 1.250 2.165 0.000) 2.499 5.477 ( 5.838 10.112 0.000) 11.676 5.484 ( 3.907 6.767 0.000) 7.814 5.536 ( 1.172 2.030 0.000) 2.344 5.823 ( -5.047 -8.742 0.000) 10.094 5.853 ( -5.843 -10.121 0.000) 11.686 5.930 ( -4.898 -8.483 0.000) 9.796 5.950 ( -3.393 -5.878 0.000) 6.787 6.218 ( -1.674 -2.899 0.000) 3.348 6.333 ( -1.616 -2.798 0.000) 3.231 6.443 ( -4.287 -7.425 0.000) 8.574 6.616 ( -2.598 -4.499 0.000) 5.196 6.760 ( 4.576 7.925 0.000) 9.151 6.859 ( -4.710 -8.157 0.000) 9.419 6.861 ( -2.550 -4.417 0.000) 5.101 7.052 ( 5.291 9.165 0.000) 10.582 7.175 ( -3.029 -5.247 0.000) 6.059 7.233 ( 4.515 7.820 0.000) 9.030 7.243 ( 0.222 0.385 0.000) 0.444 7.302 ( 2.260 3.915 0.000) 4.520 7.419 ( 1.986 3.441 0.000) 3.973 7.545 ( -0.815 -1.412 0.000) 1.630 7.650 ( 0.359 0.621 0.000) 0.717 7.774 ( 3.308 5.729 0.000) 6.616 7.887 ( -0.180 -0.312 0.000) 0.361 7.932 ( -0.160 -0.277 0.000) 0.319 8.060 ( 1.792 3.103 0.000) 3.584 8.227 ( 1.012 1.753 0.000) 2.024 8.687 ( 3.465 6.001 0.000) 6.929 8.891 ( -0.901 -1.561 0.000) 1.803 8.906 ( 3.053 5.288 0.000) 6.106 8.962 ( 1.692 2.931 0.000) 3.384 9.088 ( -5.825 -10.089 0.000) 11.650 9.151 ( 5.869 10.165 0.000) 11.738 9.229 ( 1.914 3.315 0.000) 3.828 9.412 ( -0.990 -1.716 0.000) 1.981 9.454 ( 4.937 8.551 0.000) 9.873 9.830 ( -8.999 -15.587 0.000) 17.998 10.054 ( 7.241 12.542 0.000) 14.482 10.219 ( 2.796 4.842 0.000) 5.591 10.436 ( -4.931 -8.541 0.000) 9.863 10.662 ( -0.381 -0.661 0.000) 0.763 10.681 ( -1.630 -2.823 0.000) 3.259 10.693 ( 6.079 10.528 0.000) 12.157 10.877 ( -1.922 -3.329 0.000) 3.844 11.062 ( -4.548 -7.877 0.000) 9.096 11.091 ( -3.545 -6.139 0.000) 7.089 11.146 ( -3.249 -5.628 0.000) 6.499 11.408 ( -7.435 -12.877 0.000) 14.870 11.502 ( -7.823 -13.549 0.000) 15.645 11.621 ( -6.926 -11.997 0.000) 13.853 11.681 ( -3.787 -6.560 0.000) 7.574 11.729 ( -7.089 -12.279 0.000) 14.178 11.798 ( -2.712 -4.698 0.000) 5.425 12.134 ( -6.182 -10.707 0.000) 12.363 12.163 ( -6.660 -11.535 0.000) 13.319 12.355 ( -0.710 -1.229 0.000) 1.419 12.510 ( -1.519 -2.631 0.000) 3.038 12.535 ( -3.168 -5.488 0.000) 6.337 12.592 ( -3.067 -5.312 0.000) 6.134 13.101 ( 1.029 1.783 0.000) 2.059 13.109 ( 1.032 1.788 0.000) 2.065 15.725 ( -3.309 -5.732 0.000) 6.618 15.831 ( -4.101 -7.104 0.000) 8.203 16.667 ( -5.878 -10.181 0.000) 11.756 16.713 ( -5.904 -10.226 0.000) 11.808 16.995 ( -6.828 -11.826 0.000) 13.656 17.202 ( -8.704 -15.076 0.000) 17.408 17.807 ( -0.991 -1.717 0.000) 1.982 17.840 ( -0.445 -0.771 0.000) 0.890 18.352 ( -7.235 -12.532 0.000) 14.470 18.437 ( -5.676 -9.830 0.000) 11.351 19.834 ( -3.126 -5.414 0.000) 6.252 19.853 ( -0.971 -1.682 0.000) 1.943 19.873 ( 3.335 5.777 0.000) 6.671 20.090 ( 3.109 5.384 0.000) 6.217 20.185 ( 4.879 8.452 0.000) 9.759 20.376 ( -0.103 -0.179 0.000) 0.206 20.447 ( 2.816 4.878 0.000) 5.632 20.703 ( 1.713 2.967 0.000) 3.426 21.505 ( 6.262 10.847 0.000) 12.525 21.771 ( -0.692 -1.199 0.000) 1.385 21.780 ( 12.610 21.842 0.000) 25.221 22.279 ( -1.287 -2.228 0.000) 2.573 22.642 ( 13.908 24.090 0.000) 27.816 23.511 ( -2.803 -4.854 0.000) 5.605 23.612 ( -1.204 -2.085 0.000) 2.407 24.112 ( -6.090 -10.548 0.000) 12.180 24.634 ( -6.881 -11.918 0.000) 13.762 24.961 ( -11.095 -19.217 0.000) 22.190 24.962 ( -4.607 -7.980 0.000) 9.215 25.162 ( -7.791 -13.495 0.000) 15.582 ======================= Grid point 24 (12/28) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.339 8.759 3.528) 9.537 2.186 ( 1.680 6.913 -4.138) 8.230 2.443 ( 12.021 3.867 1.117) 12.677 2.613 ( 2.267 2.428 0.981) 3.464 2.660 ( 0.575 5.462 -0.698) 5.536 2.735 ( 6.293 2.967 -0.200) 6.960 3.057 ( 1.253 14.482 -2.531) 14.755 3.160 ( 4.730 6.969 -2.027) 8.663 3.243 ( 3.358 9.728 4.514) 11.238 3.358 ( 8.611 5.511 -1.430) 10.323 3.428 ( -1.734 10.005 0.370) 10.161 3.486 ( -3.251 2.774 -0.509) 4.304 3.572 ( -1.163 0.222 0.882) 1.476 3.582 ( -1.510 2.678 0.503) 3.115 3.663 ( -0.774 1.079 2.620) 2.937 3.748 ( 3.666 3.533 0.182) 5.095 3.771 ( 2.729 3.735 -0.441) 4.646 3.812 ( 5.716 4.707 0.572) 7.427 3.863 ( 4.462 5.516 -2.339) 7.470 3.903 ( 3.024 10.067 -0.105) 10.512 3.930 ( 3.009 8.699 -0.952) 9.253 3.945 ( 6.058 1.710 -0.688) 6.332 3.989 ( 5.329 4.445 -1.446) 7.089 4.001 ( 6.202 5.099 1.468) 8.162 4.035 ( 4.435 2.668 1.344) 5.348 4.079 ( 2.849 2.905 -1.182) 4.237 4.109 ( 2.807 5.101 -0.345) 5.833 4.128 ( 1.073 3.962 -3.768) 5.572 4.151 ( 6.020 7.173 2.998) 9.832 4.195 ( 4.501 6.930 1.704) 8.438 4.212 ( 1.362 2.339 -1.304) 3.005 4.232 ( -1.746 -0.712 0.836) 2.063 4.296 ( 0.574 2.605 0.436) 2.703 4.328 ( -1.785 -2.345 0.842) 3.065 4.373 ( -2.229 0.551 -0.906) 2.468 4.389 ( -2.646 0.551 -1.442) 3.063 4.446 ( -1.075 -0.019 2.208) 2.456 4.493 ( -0.654 -2.428 1.194) 2.784 4.531 ( 0.360 -0.638 -2.236) 2.353 4.582 ( 1.034 1.993 -0.226) 2.256 4.615 ( -4.874 -0.212 0.909) 4.963 4.713 ( -1.614 0.544 -1.058) 2.006 4.727 ( -0.314 0.538 1.846) 1.948 4.750 ( -0.945 0.883 -1.635) 2.085 4.782 ( -2.238 -0.107 -0.686) 2.344 4.850 ( -3.454 -0.408 2.388) 4.219 4.895 ( 1.075 1.619 0.088) 1.945 4.933 ( -0.861 2.359 -0.490) 2.559 5.054 ( -2.833 9.967 0.987) 10.409 5.067 ( -0.583 10.053 -2.120) 10.291 5.265 ( 5.253 2.674 1.073) 5.991 5.302 ( 8.532 3.882 -0.670) 9.398 5.461 ( -0.896 -3.850 1.895) 4.384 5.479 ( 1.646 0.624 -2.841) 3.342 5.606 ( 0.404 -6.753 0.719) 6.803 5.632 ( 5.197 -6.049 0.755) 8.011 5.722 ( 2.756 4.085 -0.172) 4.931 5.734 ( 4.318 -6.365 0.406) 7.702 5.800 ( 2.534 -5.845 -1.506) 6.546 5.901 ( 0.366 1.957 1.070) 2.261 6.124 ( -6.334 0.596 0.672) 6.398 6.237 ( -3.340 -4.575 -1.109) 5.772 6.305 ( -4.864 -7.835 0.255) 9.226 6.417 ( -8.272 -13.593 -0.342) 15.915 6.669 ( -4.001 -6.539 0.659) 7.694 6.811 ( 0.931 -5.152 -2.459) 5.784 6.955 ( 5.496 7.277 0.446) 9.130 7.043 ( -3.090 -2.356 4.201) 5.722 7.200 ( 0.268 5.597 -4.188) 6.996 7.272 ( 0.797 -1.389 2.431) 2.911 7.355 ( -0.536 7.705 -5.758) 9.634 7.402 ( 0.716 9.312 1.319) 9.432 7.511 ( 2.932 2.465 5.024) 6.318 7.604 ( 9.077 3.573 4.153) 10.602 7.664 ( -0.194 3.207 -0.604) 3.269 7.805 ( -6.988 3.486 -7.159) 10.594 7.893 ( 3.323 -2.514 -1.363) 4.384 8.019 ( 9.360 -5.306 1.981) 10.940 8.119 ( 3.136 1.488 1.290) 3.703 8.258 ( 2.358 2.498 0.863) 3.541 8.685 ( -8.289 -7.923 -1.438) 11.557 8.818 ( -6.404 -8.544 -1.729) 10.817 8.850 ( 2.134 0.039 4.554) 5.029 9.038 ( 4.772 5.298 -1.868) 7.371 9.057 ( 1.029 2.745 -2.133) 3.626 9.245 ( -2.967 2.376 3.400) 5.100 9.294 ( -4.263 -2.813 0.928) 5.191 9.325 ( 1.715 1.860 -1.984) 3.215 9.553 ( 0.436 1.028 -0.160) 1.128 9.583 ( -3.063 -6.653 -0.386) 7.334 10.214 ( -1.190 0.137 -0.405) 1.265 10.373 ( 4.154 7.021 -0.953) 8.214 10.436 ( 9.421 6.275 -1.572) 11.428 10.552 ( -4.059 1.053 12.086) 12.793 10.696 ( 6.605 -3.659 -11.961) 14.145 10.824 ( -2.758 0.662 0.728) 2.928 10.919 ( 1.633 1.937 0.443) 2.572 10.975 ( -0.192 0.689 -0.780) 1.058 11.000 ( -0.238 -1.611 1.330) 2.102 11.096 ( 2.073 -4.611 0.112) 5.057 11.163 ( -4.759 -10.305 0.293) 11.354 11.230 ( -7.467 -8.793 3.783) 12.140 11.372 ( -6.154 -11.712 -3.609) 13.714 11.468 ( -8.356 -8.461 0.907) 11.927 11.616 ( 0.279 -0.886 -1.695) 1.933 11.700 ( -4.741 -0.581 1.746) 5.086 11.908 ( -7.579 -8.126 -0.065) 11.112 11.923 ( -8.006 -8.565 -0.028) 11.725 12.343 ( 1.058 -1.635 -2.057) 2.833 12.391 ( -4.791 -2.178 1.944) 5.610 12.472 ( -1.628 -6.234 1.184) 6.551 12.497 ( 1.259 -6.417 -1.224) 6.653 13.123 ( 0.781 -0.214 0.006) 0.810 13.132 ( 0.737 -0.148 -0.006) 0.752 15.709 ( 0.950 5.622 0.146) 5.703 15.776 ( -1.352 4.498 -0.203) 4.701 16.304 ( -22.977 1.656 -0.475) 23.042 16.385 ( -18.983 0.455 0.747) 19.003 16.947 ( 18.371 -30.937 1.006) 35.994 17.039 ( 14.485 -31.782 -1.408) 34.955 17.801 ( 1.483 -0.226 -0.581) 1.609 17.858 ( 1.673 1.458 0.225) 2.230 18.077 ( -6.983 -12.508 0.866) 14.352 18.222 ( -5.056 -10.703 -0.229) 11.839 19.697 ( -3.359 -5.170 0.205) 6.169 19.725 ( -2.786 -7.223 -0.617) 7.767 20.076 ( 0.658 14.026 1.282) 14.100 20.188 ( -3.510 10.316 -2.347) 11.147 20.318 ( 3.315 3.731 2.471) 5.569 20.364 ( 0.548 3.925 -2.281) 4.572 20.530 ( 0.552 2.137 2.088) 3.038 20.730 ( -0.310 0.321 -0.534) 0.696 21.556 ( -18.333 24.959 -1.690) 31.014 21.634 ( -16.126 22.606 1.087) 27.790 22.300 ( 22.602 -5.038 -0.662) 23.166 22.390 ( 16.108 -4.942 1.222) 16.893 23.134 ( 13.919 17.256 -3.030) 22.376 23.479 ( -2.250 9.261 11.549) 14.973 23.655 ( 6.937 -3.967 -12.885) 15.162 23.884 ( -6.616 -9.218 4.665) 12.267 24.421 ( -4.839 -8.250 -2.829) 9.974 24.554 ( -12.938 -15.336 3.139) 20.309 24.800 ( -1.682 -11.573 -1.690) 11.816 24.895 ( -4.688 -14.633 0.762) 15.384 ======================= Grid point 25 (13/28) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -6.299 10.910 0.000) 12.598 2.265 ( -0.093 0.161 0.000) 0.186 2.614 ( 2.833 -4.906 -0.000) 5.665 2.633 ( 1.030 -1.784 0.000) 2.060 2.676 ( -2.281 3.951 0.000) 4.562 2.813 ( 0.334 -0.578 -0.000) 0.667 3.159 ( -7.277 12.604 0.000) 14.554 3.312 ( -7.026 12.170 0.000) 14.052 3.338 ( -0.560 0.970 -0.000) 1.120 3.341 ( -4.890 8.469 -0.000) 9.780 3.418 ( -0.372 0.644 0.000) 0.743 3.492 ( -1.108 1.920 -0.000) 2.217 3.526 ( -0.230 0.398 -0.000) 0.460 3.597 ( 1.036 -1.795 0.000) 2.073 3.677 ( 0.794 -1.375 0.000) 1.588 3.799 ( -1.229 2.129 0.000) 2.459 3.805 ( 0.516 -0.894 0.000) 1.032 3.930 ( 1.138 -1.971 0.000) 2.276 3.945 ( -1.378 2.387 0.000) 2.756 3.963 ( 1.120 -1.940 0.000) 2.240 3.968 ( 0.628 -1.088 -0.000) 1.256 4.013 ( 0.862 -1.494 -0.000) 1.725 4.036 ( -1.174 2.033 0.000) 2.347 4.081 ( -1.590 2.755 0.000) 3.181 4.112 ( -0.623 1.079 0.000) 1.246 4.122 ( -0.761 1.318 -0.000) 1.522 4.180 ( -0.746 1.292 0.000) 1.491 4.191 ( -2.171 3.761 -0.000) 4.342 4.200 ( -1.663 2.880 -0.000) 3.325 4.220 ( -0.060 0.104 0.000) 0.120 4.262 ( -1.582 2.739 -0.000) 3.163 4.264 ( -1.245 2.156 0.000) 2.489 4.314 ( 0.066 -0.114 0.000) 0.131 4.336 ( -0.397 0.687 0.000) 0.794 4.383 ( -1.161 2.011 -0.000) 2.322 4.391 ( -0.076 0.131 0.000) 0.152 4.426 ( -2.138 3.702 -0.000) 4.275 4.468 ( -0.529 0.916 0.000) 1.058 4.525 ( -1.336 2.314 -0.000) 2.672 4.527 ( -1.824 3.159 0.000) 3.648 4.653 ( -2.363 4.093 0.000) 4.727 4.664 ( -1.437 2.490 -0.000) 2.875 4.703 ( 0.447 -0.774 -0.000) 0.894 4.714 ( -1.494 2.587 0.000) 2.987 4.772 ( 2.002 -3.467 0.000) 4.003 4.788 ( 1.780 -3.083 0.000) 3.560 4.922 ( -2.868 4.967 -0.000) 5.735 4.960 ( -3.181 5.509 0.000) 6.361 5.096 ( -4.564 7.905 0.000) 9.128 5.134 ( -3.949 6.840 0.000) 7.898 5.277 ( -1.962 3.399 -0.000) 3.924 5.340 ( -1.105 1.915 0.000) 2.211 5.515 ( 5.772 -9.998 -0.000) 11.545 5.538 ( 0.466 -0.808 -0.000) 0.933 5.546 ( 5.566 -9.640 0.000) 11.131 5.580 ( 0.644 -1.116 -0.000) 1.288 5.803 ( -0.807 1.399 0.000) 1.615 5.870 ( 1.195 -2.070 0.000) 2.390 5.881 ( 1.894 -3.281 -0.000) 3.788 5.932 ( 2.703 -4.682 0.000) 5.406 6.000 ( 2.386 -4.132 -0.000) 4.771 6.164 ( 1.267 -2.194 -0.000) 2.534 6.178 ( 1.158 -2.005 0.000) 2.315 6.200 ( 2.386 -4.132 -0.000) 4.771 6.606 ( 3.093 -5.357 -0.000) 6.185 6.781 ( 1.812 -3.139 -0.000) 3.625 7.001 ( -2.248 3.893 0.000) 4.495 7.090 ( -0.093 0.160 0.000) 0.185 7.204 ( -1.685 2.918 0.000) 3.370 7.234 ( 1.901 -3.292 -0.000) 3.802 7.420 ( -4.831 8.368 -0.000) 9.662 7.436 ( -5.341 9.252 0.000) 10.683 7.596 ( -1.630 2.823 -0.000) 3.260 7.694 ( 0.441 -0.763 -0.000) 0.881 7.729 ( -3.029 5.247 0.000) 6.059 7.797 ( 2.101 -3.638 0.000) 4.201 7.825 ( 1.940 -3.361 -0.000) 3.880 8.071 ( 3.936 -6.817 0.000) 7.872 8.205 ( 0.033 -0.057 -0.000) 0.066 8.335 ( -0.683 1.182 0.000) 1.365 8.523 ( 2.413 -4.179 -0.000) 4.825 8.635 ( 5.070 -8.781 -0.000) 10.140 8.909 ( -2.565 4.443 0.000) 5.130 9.058 ( -0.349 0.604 0.000) 0.697 9.153 ( 0.094 -0.162 -0.000) 0.187 9.173 ( 0.821 -1.421 -0.000) 1.641 9.230 ( -0.516 0.893 -0.000) 1.031 9.356 ( 0.503 -0.870 0.000) 1.005 9.528 ( -0.257 0.445 0.000) 0.513 9.569 ( -0.996 1.726 0.000) 1.993 10.192 ( 0.283 -0.490 0.000) 0.565 10.406 ( -4.342 7.521 0.000) 8.685 10.554 ( 0.282 -0.488 -0.000) 0.564 10.691 ( 1.161 -2.010 0.000) 2.321 10.715 ( -2.538 4.395 -0.000) 5.075 10.821 ( 1.945 -3.368 0.000) 3.889 10.897 ( 0.955 -1.654 0.000) 1.909 10.921 ( 2.387 -4.135 -0.000) 4.774 10.979 ( 3.126 -5.415 -0.000) 6.253 11.074 ( 3.466 -6.003 0.000) 6.932 11.079 ( 0.922 -1.598 -0.000) 1.845 11.176 ( 2.310 -4.000 0.000) 4.619 11.238 ( 1.010 -1.750 -0.000) 2.020 11.338 ( -1.534 2.657 0.000) 3.068 11.649 ( -2.058 3.564 -0.000) 4.115 11.665 ( -0.612 1.060 -0.000) 1.224 11.740 ( 1.036 -1.794 -0.000) 2.072 11.786 ( 0.511 -0.885 -0.000) 1.022 12.326 ( 0.274 -0.475 -0.000) 0.549 12.371 ( 2.026 -3.509 0.000) 4.052 12.398 ( 1.953 -3.382 -0.000) 3.905 12.478 ( 3.075 -5.325 0.000) 6.149 13.129 ( 0.557 -0.965 -0.000) 1.115 13.137 ( 0.502 -0.869 -0.000) 1.003 15.792 ( -7.010 12.142 0.000) 14.020 15.824 ( -6.428 11.133 0.000) 12.856 16.048 ( -2.552 4.421 0.000) 5.105 16.187 ( -1.691 2.929 0.000) 3.382 16.952 ( 18.980 -32.874 -0.000) 37.960 17.008 ( 19.171 -33.205 -0.000) 38.342 17.844 ( 1.015 -1.758 0.000) 2.030 17.897 ( -0.562 0.973 0.000) 1.124 17.913 ( 2.212 -3.832 -0.000) 4.425 18.103 ( 3.209 -5.558 -0.000) 6.418 19.641 ( 4.234 -7.334 -0.000) 8.468 19.655 ( -0.163 0.282 0.000) 0.326 20.139 ( -8.712 15.089 -0.000) 17.424 20.200 ( -1.210 2.096 0.000) 2.420 20.364 ( -5.727 9.920 -0.000) 11.455 20.452 ( -0.631 1.093 0.000) 1.262 20.517 ( -1.531 2.651 0.000) 3.061 20.720 ( 0.758 -1.313 0.000) 1.516 21.514 ( -17.066 29.559 -0.000) 34.132 21.606 ( -14.506 25.126 -0.000) 29.013 22.472 ( 6.551 -11.346 0.000) 13.101 22.542 ( 6.049 -10.477 0.000) 12.098 23.371 ( -1.975 3.421 -0.000) 3.950 23.559 ( -3.838 6.648 0.000) 7.676 23.670 ( 3.107 -5.381 -0.000) 6.214 23.791 ( 2.674 -4.631 0.000) 5.348 24.313 ( 0.828 -1.434 0.000) 1.656 24.326 ( 1.116 -1.933 -0.000) 2.232 24.716 ( 6.101 -10.567 0.000) 12.202 24.763 ( 6.848 -11.861 0.000) 13.696 ======================= Grid point 35 (14/28) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 1.616 2.799 0.000) 3.232 2.350 ( 3.655 6.331 0.000) 7.310 2.473 ( 0.827 1.432 0.000) 1.653 2.617 ( -1.359 -2.354 0.000) 2.718 2.747 ( 1.406 2.435 0.000) 2.811 2.782 ( 0.831 1.440 0.000) 1.663 3.269 ( 3.832 6.638 0.000) 7.665 3.375 ( 6.792 11.764 0.000) 13.584 3.415 ( 0.744 1.289 0.000) 1.489 3.465 ( 3.306 5.727 0.000) 6.612 3.470 ( -1.138 -1.970 0.000) 2.275 3.500 ( -0.376 -0.652 0.000) 0.753 3.547 ( -0.256 -0.443 0.000) 0.512 3.589 ( -1.056 -1.828 0.000) 2.111 3.615 ( -2.879 -4.986 0.000) 5.757 3.775 ( 0.670 1.161 0.000) 1.340 3.848 ( 1.709 2.960 0.000) 3.418 3.907 ( 2.811 4.869 0.000) 5.622 3.922 ( -0.833 -1.443 0.000) 1.666 3.949 ( 0.209 0.362 0.000) 0.418 3.955 ( 1.454 2.518 0.000) 2.907 3.995 ( -0.932 -1.614 0.000) 1.864 4.085 ( 1.596 2.765 0.000) 3.193 4.087 ( -0.511 -0.885 0.000) 1.022 4.127 ( 1.103 1.911 0.000) 2.207 4.141 ( 0.138 0.240 0.000) 0.277 4.191 ( 2.756 4.774 0.000) 5.513 4.207 ( 0.843 1.460 0.000) 1.686 4.219 ( 3.244 5.620 0.000) 6.489 4.264 ( 0.901 1.561 0.000) 1.803 4.269 ( 0.337 0.584 0.000) 0.674 4.311 ( 0.310 0.537 0.000) 0.620 4.317 ( 1.167 2.021 0.000) 2.334 4.326 ( 2.593 4.492 0.000) 5.187 4.347 ( -1.246 -2.159 0.000) 2.493 4.427 ( -1.255 -2.174 0.000) 2.510 4.458 ( 2.060 3.569 0.000) 4.121 4.486 ( 1.672 2.895 0.000) 3.343 4.573 ( 0.260 0.449 0.000) 0.519 4.597 ( -0.100 -0.174 0.000) 0.201 4.644 ( -2.568 -4.448 0.000) 5.136 4.687 ( 3.166 5.484 0.000) 6.332 4.702 ( -1.397 -2.420 0.000) 2.794 4.738 ( -0.439 -0.760 0.000) 0.877 4.812 ( -2.862 -4.957 0.000) 5.724 4.841 ( 2.798 4.846 0.000) 5.596 4.887 ( 2.082 3.606 0.000) 4.164 4.898 ( -2.617 -4.533 0.000) 5.234 5.248 ( 2.980 5.161 0.000) 5.960 5.293 ( -2.469 -4.277 0.000) 4.939 5.303 ( 2.753 4.768 0.000) 5.505 5.329 ( -1.302 -2.255 0.000) 2.604 5.510 ( 1.019 1.765 0.000) 2.038 5.539 ( -1.636 -2.834 0.000) 3.272 5.542 ( 4.858 8.415 0.000) 9.716 5.557 ( 6.000 10.393 0.000) 12.000 5.626 ( 1.140 1.974 0.000) 2.280 5.711 ( 1.131 1.959 0.000) 2.262 5.853 ( 1.077 1.866 0.000) 2.154 5.893 ( -3.581 -6.203 0.000) 7.163 6.070 ( -8.494 -14.712 0.000) 16.988 6.113 ( -3.276 -5.674 0.000) 6.552 6.126 ( -0.930 -1.610 0.000) 1.859 6.160 ( -3.293 -5.703 0.000) 6.586 6.559 ( -1.902 -3.295 0.000) 3.805 6.742 ( -0.865 -1.498 0.000) 1.730 7.072 ( 2.926 5.067 0.000) 5.851 7.076 ( 2.729 4.726 0.000) 5.457 7.197 ( -2.663 -4.612 0.000) 5.325 7.228 ( -2.020 -3.498 0.000) 4.039 7.541 ( 4.923 8.527 0.000) 9.846 7.581 ( 2.459 4.259 0.000) 4.917 7.644 ( 5.938 10.285 0.000) 11.876 7.646 ( 1.572 2.722 0.000) 3.143 7.701 ( -0.228 -0.394 0.000) 0.455 7.782 ( -2.595 -4.495 0.000) 5.191 7.889 ( -2.366 -4.098 0.000) 4.732 7.906 ( -1.100 -1.906 0.000) 2.200 8.208 ( 4.350 7.535 0.000) 8.701 8.346 ( 3.190 5.526 0.000) 6.381 8.461 ( -6.506 -11.269 0.000) 13.012 8.549 ( -6.669 -11.551 0.000) 13.337 8.965 ( 2.495 4.321 0.000) 4.989 9.055 ( -1.119 -1.939 0.000) 2.239 9.130 ( 1.767 3.061 0.000) 3.535 9.186 ( -1.817 -3.148 0.000) 3.635 9.270 ( -1.418 -2.456 0.000) 2.836 9.279 ( -0.751 -1.301 0.000) 1.503 9.536 ( -0.318 -0.551 0.000) 0.636 9.615 ( 1.851 3.205 0.000) 3.701 10.192 ( -0.397 -0.688 0.000) 0.794 10.530 ( 2.184 3.783 0.000) 4.368 10.609 ( 2.410 4.174 0.000) 4.820 10.630 ( 4.880 8.453 0.000) 9.761 10.651 ( 2.698 4.673 0.000) 5.396 10.819 ( -2.548 -4.413 0.000) 5.095 10.882 ( -4.288 -7.426 0.000) 8.575 10.897 ( -1.229 -2.129 0.000) 2.458 10.929 ( -0.843 -1.460 0.000) 1.686 10.995 ( -3.416 -5.917 0.000) 6.833 11.004 ( -2.372 -4.109 0.000) 4.744 11.152 ( -4.246 -7.355 0.000) 8.493 11.231 ( 1.777 3.077 0.000) 3.554 11.392 ( 0.428 0.741 0.000) 0.856 11.638 ( 1.529 2.648 0.000) 3.057 11.700 ( 0.691 1.197 0.000) 1.382 11.747 ( -4.067 -7.044 0.000) 8.134 11.783 ( -2.896 -5.016 0.000) 5.792 12.317 ( -0.236 -0.408 0.000) 0.471 12.338 ( -1.429 -2.476 0.000) 2.859 12.375 ( -1.693 -2.933 0.000) 3.386 12.394 ( -1.489 -2.580 0.000) 2.979 13.118 ( -0.127 -0.220 0.000) 0.254 13.127 ( -0.115 -0.199 0.000) 0.230 15.933 ( 9.071 15.711 0.000) 18.142 15.972 ( 7.995 13.847 0.000) 15.989 16.293 ( -4.437 -7.685 0.000) 8.874 16.365 ( -3.646 -6.315 0.000) 7.292 16.404 ( -9.127 -15.809 0.000) 18.255 16.470 ( -10.517 -18.216 0.000) 21.035 17.813 ( 0.892 1.544 0.000) 1.783 17.891 ( -3.318 -5.746 0.000) 6.635 17.913 ( 2.095 3.629 0.000) 4.191 18.042 ( -3.817 -6.612 0.000) 7.635 19.562 ( -2.332 -4.039 0.000) 4.664 19.647 ( -1.228 -2.128 0.000) 2.457 20.215 ( 0.375 0.649 0.000) 0.749 20.309 ( 0.539 0.933 0.000) 1.077 20.431 ( 5.137 8.897 0.000) 10.274 20.508 ( 4.303 7.453 0.000) 8.606 20.553 ( -0.577 -0.999 0.000) 1.153 20.685 ( -2.597 -4.498 0.000) 5.194 21.954 ( 7.108 12.312 0.000) 14.217 22.034 ( 6.828 11.826 0.000) 13.655 22.229 ( -1.049 -1.818 0.000) 2.099 22.304 ( -1.285 -2.226 0.000) 2.570 23.401 ( 4.096 7.095 0.000) 8.193 23.573 ( -1.105 -1.914 0.000) 2.210 23.637 ( 1.369 2.371 0.000) 2.737 23.744 ( -2.019 -3.497 0.000) 4.038 24.349 ( 1.299 2.249 0.000) 2.597 24.356 ( -0.829 -1.436 0.000) 1.658 24.555 ( -6.303 -10.917 0.000) 12.606 24.594 ( -7.520 -13.025 0.000) 15.040 ======================= Grid point 109 (15/28) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.000 0.000 -28.973) 28.973 0.655 ( 0.000 -0.000 -28.973) 28.973 0.655 ( 0.000 0.000 28.973) 28.973 0.655 ( -0.000 0.000 28.973) 28.973 1.050 ( 0.000 0.000 -45.195) 45.195 1.050 ( 0.000 0.000 45.195) 45.195 1.916 ( 0.000 0.000 -22.579) 22.579 1.916 ( 0.000 0.000 -22.579) 22.579 1.916 ( 0.000 0.000 22.579) 22.579 1.916 ( 0.000 0.000 22.579) 22.579 2.450 ( 0.000 0.000 -6.172) 6.172 2.450 ( 0.000 0.000 -6.172) 6.172 2.450 ( 0.000 0.000 6.172) 6.172 2.450 ( 0.000 0.000 6.172) 6.172 2.876 ( 0.000 0.000 -12.676) 12.676 2.876 ( 0.000 0.000 12.676) 12.676 3.124 ( 0.000 -0.000 -21.392) 21.392 3.124 ( 0.000 -0.000 -21.392) 21.392 3.124 ( 0.000 -0.000 21.392) 21.392 3.124 ( 0.000 0.000 21.392) 21.392 3.391 ( 0.000 0.000 -1.481) 1.481 3.391 ( 0.000 0.000 1.481) 1.481 3.481 ( 0.000 0.000 -6.148) 6.148 3.481 ( 0.000 0.000 6.148) 6.148 3.741 ( 0.000 0.000 -2.192) 2.192 3.741 ( 0.000 0.000 2.192) 2.192 3.943 ( 0.000 0.000 -11.478) 11.478 3.943 ( 0.000 0.000 11.478) 11.478 3.969 ( 0.000 0.000 -16.095) 16.095 3.969 ( 0.000 -0.000 -16.095) 16.095 3.969 ( 0.000 0.000 16.095) 16.095 3.969 ( -0.000 -0.000 16.095) 16.095 4.332 ( 0.000 0.000 -0.823) 0.823 4.332 ( 0.000 0.000 0.823) 0.823 4.332 ( 0.000 -0.000 -0.823) 0.823 4.332 ( -0.000 0.000 0.823) 0.823 4.553 ( 0.000 0.000 -8.309) 8.309 4.553 ( 0.000 0.000 -8.309) 8.309 4.553 ( 0.000 -0.000 8.309) 8.309 4.553 ( 0.000 -0.000 8.309) 8.309 4.752 ( 0.000 0.000 -2.881) 2.881 4.752 ( 0.000 -0.000 -2.881) 2.881 4.752 ( 0.000 -0.000 2.881) 2.881 4.752 ( 0.000 0.000 2.881) 2.881 4.966 ( 0.000 0.000 -19.007) 19.007 4.966 ( 0.000 0.000 19.007) 19.007 5.017 ( 0.000 0.000 -2.906) 2.906 5.017 ( 0.000 0.000 -2.906) 2.906 5.017 ( 0.000 0.000 2.906) 2.906 5.017 ( 0.000 -0.000 2.906) 2.906 5.124 ( 0.000 -0.000 -2.370) 2.370 5.124 ( 0.000 0.000 -2.370) 2.370 5.124 ( 0.000 -0.000 2.370) 2.370 5.124 ( 0.000 -0.000 2.370) 2.370 5.600 ( 0.000 0.000 -4.714) 4.714 5.600 ( 0.000 0.000 4.714) 4.714 5.930 ( 0.000 0.000 -8.954) 8.954 5.930 ( 0.000 0.000 8.954) 8.954 6.164 ( 0.000 -0.000 -0.327) 0.327 6.164 ( 0.000 0.000 -0.327) 0.327 6.164 ( -0.000 0.000 0.327) 0.327 6.164 ( 0.000 -0.000 0.327) 0.327 6.549 ( 0.000 0.000 -5.018) 5.018 6.549 ( 0.000 0.000 5.018) 5.018 6.693 ( 0.000 -0.000 -14.062) 14.062 6.693 ( 0.000 0.000 14.062) 14.062 7.135 ( 0.000 0.000 -0.806) 0.806 7.135 ( 0.000 0.000 0.806) 0.806 7.135 ( -0.000 -0.000 -0.806) 0.806 7.135 ( 0.000 0.000 0.806) 0.806 7.469 ( 0.000 0.000 -16.517) 16.517 7.469 ( 0.000 0.000 16.517) 16.517 7.504 ( 0.000 0.000 -2.194) 2.194 7.504 ( 0.000 -0.000 -2.194) 2.194 7.504 ( 0.000 0.000 2.194) 2.194 7.504 ( 0.000 -0.000 2.194) 2.194 7.760 ( -0.000 0.000 -4.280) 4.280 7.760 ( 0.000 -0.000 -4.280) 4.280 7.760 ( 0.000 0.000 4.280) 4.280 7.760 ( 0.000 -0.000 4.280) 4.280 8.183 ( 0.000 0.000 -7.401) 7.401 8.183 ( 0.000 0.000 7.401) 7.401 8.379 ( 0.000 0.000 -5.751) 5.751 8.379 ( 0.000 -0.000 -5.751) 5.751 8.379 ( 0.000 0.000 5.751) 5.751 8.379 ( 0.000 0.000 5.751) 5.751 8.991 ( 0.000 0.000 -1.152) 1.152 8.991 ( 0.000 0.000 1.152) 1.152 9.876 ( -0.000 0.000 -12.381) 12.381 9.876 ( -0.000 -0.000 -12.381) 12.381 9.876 ( 0.000 0.000 12.381) 12.381 9.876 ( 0.000 -0.000 12.381) 12.381 10.930 ( 0.000 0.000 -11.986) 11.986 10.930 ( 0.000 0.000 -11.986) 11.986 10.930 ( 0.000 0.000 11.986) 11.986 10.930 ( 0.000 0.000 11.986) 11.986 11.292 ( 0.000 0.000 -0.083) 0.083 11.292 ( 0.000 0.000 0.083) 0.083 11.916 ( 0.000 -0.000 -5.151) 5.151 11.916 ( 0.000 -0.000 -5.151) 5.151 11.916 ( 0.000 0.000 5.151) 5.151 11.916 ( 0.000 -0.000 5.151) 5.151 12.157 ( 0.000 0.000 -0.504) 0.504 12.157 ( 0.000 0.000 0.504) 0.504 12.295 ( 0.000 0.000 -0.364) 0.364 12.295 ( 0.000 0.000 0.364) 0.364 12.511 ( 0.000 0.000 -1.580) 1.580 12.511 ( 0.000 0.000 1.580) 1.580 12.620 ( 0.000 0.000 -1.198) 1.198 12.620 ( 0.000 0.000 1.198) 1.198 12.799 ( 0.000 0.000 -0.831) 0.831 12.799 ( 0.000 0.000 -0.831) 0.831 12.799 ( 0.000 0.000 0.831) 0.831 12.799 ( 0.000 -0.000 0.831) 0.831 17.102 ( 0.000 0.000 -0.244) 0.244 17.102 ( 0.000 0.000 0.244) 0.244 17.102 ( 0.000 -0.000 -0.244) 0.244 17.102 ( 0.000 -0.000 0.244) 0.244 17.828 ( 0.000 0.000 -0.896) 0.896 17.828 ( 0.000 0.000 0.896) 0.896 17.828 ( 0.000 -0.000 -0.896) 0.896 17.828 ( 0.000 -0.000 0.896) 0.896 17.980 ( 0.000 0.000 -0.623) 0.623 17.980 ( 0.000 0.000 0.623) 0.623 17.980 ( -0.000 -0.000 -0.623) 0.623 17.980 ( 0.000 -0.000 0.623) 0.623 20.181 ( 0.000 0.000 -0.123) 0.123 20.181 ( 0.000 -0.000 -0.123) 0.123 20.181 ( 0.000 -0.000 0.123) 0.123 20.181 ( 0.000 0.000 0.123) 0.123 20.360 ( 0.000 0.000 -0.180) 0.180 20.360 ( 0.000 0.000 -0.180) 0.180 20.360 ( 0.000 0.000 0.180) 0.180 20.360 ( 0.000 0.000 0.180) 0.180 22.311 ( 0.000 0.000 -1.448) 1.448 22.311 ( 0.000 0.000 1.448) 1.448 23.479 ( 0.000 0.000 -3.602) 3.602 23.479 ( 0.000 0.000 3.602) 3.602 24.663 ( 0.000 0.000 -3.390) 3.390 24.663 ( 0.000 0.000 3.390) 3.390 25.371 ( 0.000 0.000 -1.026) 1.026 25.371 ( 0.000 0.000 1.026) 1.026 25.901 ( 0.000 0.000 -0.044) 0.044 25.901 ( 0.000 0.000 0.044) 0.044 ======================= Grid point 111 (16/28) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 29.824 17.219 -14.560) 37.390 1.144 ( 14.657 8.462 -27.114) 31.963 1.178 ( 30.425 17.566 10.401) 36.639 1.188 ( 13.574 7.837 34.860) 38.222 1.290 ( 38.629 22.302 12.156) 46.231 1.369 ( 36.488 21.066 -15.436) 44.871 2.063 ( 11.828 6.829 15.992) 21.030 2.063 ( 11.440 6.605 -21.279) 25.046 2.100 ( 12.400 7.159 -11.707) 18.495 2.201 ( 20.124 11.618 23.021) 32.710 2.460 ( 2.948 1.702 -3.224) 4.689 2.565 ( 6.657 3.843 -8.233) 11.264 2.600 ( 7.215 4.166 7.651) 11.311 2.641 ( 7.409 4.278 -4.139) 9.504 2.906 ( 3.915 2.261 12.470) 13.264 2.968 ( 10.610 6.126 -9.782) 15.678 3.130 ( 1.742 1.006 -7.560) 7.823 3.175 ( 2.939 1.697 -13.697) 14.112 3.188 ( 4.670 2.696 3.809) 6.602 3.208 ( 4.889 2.823 17.090) 17.999 3.403 ( 2.786 1.608 -4.732) 5.722 3.418 ( 1.027 0.593 8.033) 8.120 3.435 ( 3.165 1.827 -0.883) 3.760 3.437 ( 4.651 2.685 -1.270) 5.518 3.751 ( 1.049 0.606 2.104) 2.428 3.752 ( 1.083 0.625 -1.753) 2.153 3.831 ( -3.213 -1.855 7.528) 8.392 3.836 ( -3.741 -2.160 -9.691) 10.610 3.964 ( -0.193 -0.111 -14.627) 14.629 4.007 ( 2.192 1.265 10.815) 11.107 4.066 ( 4.298 2.481 -12.158) 13.132 4.074 ( 3.858 2.227 15.838) 16.452 4.313 ( -1.224 -0.707 -2.658) 3.011 4.367 ( 0.314 0.181 -0.341) 0.498 4.408 ( 0.306 0.177 -0.744) 0.824 4.465 ( 1.731 1.000 5.229) 5.598 4.528 ( -1.113 -0.643 -7.644) 7.752 4.578 ( 0.864 0.499 6.730) 6.803 4.588 ( 0.652 0.377 2.344) 2.462 4.608 ( -1.708 -0.986 -1.489) 2.471 4.699 ( 1.164 0.672 -0.629) 1.483 4.703 ( 2.030 1.172 -1.190) 2.629 4.729 ( 1.198 0.692 -1.594) 2.111 4.759 ( -0.224 -0.129 1.909) 1.927 4.905 ( -1.918 -1.107 6.210) 6.593 4.926 ( -0.432 -0.249 -7.654) 7.670 4.985 ( -1.167 -0.674 -1.953) 2.373 5.032 ( -0.680 -0.393 6.008) 6.060 5.042 ( -1.084 -0.626 3.665) 3.873 5.079 ( -0.090 -0.052 -4.374) 4.375 5.110 ( 2.661 1.536 -1.951) 3.640 5.122 ( -0.641 -0.370 -0.960) 1.212 5.181 ( 4.867 2.810 -2.141) 6.014 5.233 ( 7.002 4.043 2.287) 8.402 5.450 ( -6.735 -3.889 -2.928) 8.310 5.455 ( -6.947 -4.011 3.042) 8.579 5.983 ( 4.161 2.402 -7.378) 8.804 5.986 ( 4.745 2.739 7.532) 9.314 6.160 ( -0.299 -0.173 -0.887) 0.952 6.160 ( -0.510 -0.295 0.602) 0.842 6.463 ( -2.516 -1.452 -0.272) 2.918 6.479 ( -2.684 -1.550 0.773) 3.195 6.535 ( 4.005 2.312 -6.878) 8.288 6.559 ( 8.627 4.981 8.077) 12.825 6.688 ( 0.538 0.310 -14.073) 14.086 6.695 ( 1.492 0.861 13.525) 13.634 7.009 ( -3.906 -2.255 -0.671) 4.559 7.104 ( -6.006 -3.467 -0.996) 7.006 7.303 ( -7.021 -4.054 8.534) 11.771 7.319 ( -6.929 -4.000 -10.697) 13.358 7.387 ( -2.758 -1.592 5.501) 6.356 7.482 ( 3.531 2.039 -1.355) 4.297 7.568 ( 1.593 0.920 3.233) 3.719 7.595 ( 0.051 0.029 -2.949) 2.950 7.622 ( 5.522 3.188 8.182) 10.373 7.659 ( 11.480 6.628 -11.840) 17.773 7.718 ( 1.254 0.724 -0.659) 1.591 7.825 ( 3.498 2.020 -1.820) 4.430 7.839 ( 5.504 3.178 -3.199) 7.115 7.871 ( 6.851 3.955 1.831) 8.120 8.154 ( 5.790 3.343 8.578) 10.876 8.192 ( 9.486 5.477 -6.901) 12.946 8.582 ( 13.014 7.514 -3.659) 15.466 8.609 ( 18.350 10.594 6.701) 22.223 8.635 ( 16.097 9.294 0.427) 18.593 8.664 ( 15.013 8.668 -0.561) 17.344 8.937 ( -3.950 -2.281 0.066) 4.562 8.952 ( -2.598 -1.500 -0.553) 3.051 9.675 ( -10.423 -6.018 6.811) 13.829 9.862 ( 3.865 2.231 -5.474) 7.063 9.912 ( 0.119 0.069 -7.970) 7.972 10.049 ( 8.998 5.195 8.209) 13.242 10.748 ( -10.057 -5.806 9.147) 14.783 10.784 ( -7.247 -4.184 -9.819) 12.901 10.906 ( -6.474 -3.738 -6.298) 9.775 10.985 ( 0.514 0.297 5.898) 5.928 11.366 ( -0.444 -0.256 -8.440) 8.455 11.367 ( -0.234 -0.135 12.759) 12.762 11.776 ( -8.715 -5.032 1.541) 10.181 11.795 ( -11.660 -6.732 -4.440) 14.178 11.840 ( -4.887 -2.821 -5.618) 7.962 11.924 ( -1.504 -0.868 3.849) 4.222 12.150 ( -1.390 -0.802 0.082) 1.607 12.159 ( -1.374 -0.793 -0.423) 1.642 12.255 ( -7.144 -4.124 0.009) 8.249 12.257 ( -7.175 -4.142 1.003) 8.345 12.503 ( -5.163 -2.981 6.529) 8.842 12.527 ( -2.230 -1.287 -6.439) 6.935 12.596 ( 4.591 2.651 1.990) 5.663 12.607 ( 6.222 3.592 -1.901) 7.431 12.733 ( -5.028 -2.903 -0.705) 5.849 12.747 ( -4.541 -2.621 0.649) 5.283 12.846 ( 3.743 2.161 0.924) 4.419 12.859 ( 4.125 2.381 -0.819) 4.833 16.883 ( -16.449 -9.497 0.413) 18.998 16.887 ( -15.158 -8.752 -0.006) 17.504 17.067 ( -20.338 -11.742 4.529) 23.916 17.295 ( -21.619 -12.482 1.705) 25.022 17.785 ( 0.103 0.059 1.114) 1.121 17.795 ( -1.443 -0.833 -1.189) 2.047 17.828 ( 13.831 7.986 -8.548) 18.115 18.061 ( 1.959 1.131 4.623) 5.147 18.097 ( 14.214 8.207 -2.485) 16.600 18.131 ( 10.236 5.910 1.190) 11.879 18.491 ( 39.655 22.895 9.234) 46.712 18.684 ( 59.161 34.157 -16.941) 70.383 19.908 ( -11.772 -6.797 -13.582) 19.216 19.911 ( -13.003 -7.507 18.134) 23.543 20.184 ( -0.932 -0.538 -1.053) 1.506 20.221 ( 3.252 1.878 -1.635) 4.096 20.261 ( 6.839 3.948 2.170) 8.189 20.279 ( 6.100 3.522 -1.434) 7.188 20.387 ( 1.548 0.894 -0.369) 1.825 20.433 ( 8.210 4.740 0.534) 9.495 22.557 ( -9.013 -5.204 -12.524) 16.284 22.761 ( 8.549 4.936 14.120) 17.229 23.194 ( -13.682 -7.899 11.879) 19.766 23.237 ( -7.538 -4.352 -10.668) 13.769 24.530 ( -10.204 -5.891 0.349) 11.787 24.543 ( -8.290 -4.786 0.140) 9.574 25.285 ( -6.509 -3.758 -0.196) 7.519 25.288 ( -5.939 -3.429 0.110) 6.859 25.812 ( -7.298 -4.213 0.432) 8.438 25.814 ( -7.085 -4.090 -0.393) 8.190 ======================= Grid point 113 (17/28) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 17.275 9.974 -19.991) 28.240 1.533 ( 16.517 9.536 20.015) 27.647 1.832 ( 27.322 15.774 -0.925) 31.562 1.857 ( 20.609 11.898 1.745) 23.861 2.107 ( 21.688 12.521 0.257) 25.044 2.164 ( 27.715 16.001 -0.530) 32.007 2.395 ( 12.596 7.272 -2.983) 14.847 2.424 ( 16.761 9.677 -9.603) 21.606 2.456 ( 25.191 14.544 9.954) 30.744 2.653 ( 8.880 5.127 2.560) 10.569 2.721 ( 22.404 12.935 2.213) 25.964 2.757 ( 13.080 7.552 -4.535) 15.769 2.796 ( 18.825 10.869 10.642) 24.203 2.928 ( 14.657 8.462 -10.378) 19.853 2.964 ( 0.304 0.176 3.143) 3.163 3.194 ( 1.764 1.018 1.288) 2.410 3.268 ( 5.298 3.059 -7.572) 9.734 3.290 ( 8.574 4.950 8.356) 12.956 3.298 ( 15.044 8.686 -7.322) 18.851 3.416 ( 12.814 7.398 -0.683) 14.812 3.503 ( 3.383 1.953 -0.010) 3.906 3.544 ( 7.443 4.297 3.383) 9.236 3.596 ( 7.604 4.390 4.971) 10.090 3.615 ( 9.368 5.409 -1.253) 10.890 3.774 ( 1.093 0.631 3.546) 3.764 3.791 ( 2.742 1.583 -0.157) 3.170 3.812 ( 2.067 1.193 -5.769) 6.243 3.834 ( 2.770 1.600 -1.296) 3.451 4.004 ( 4.400 2.540 -8.430) 9.843 4.082 ( 4.202 2.426 8.186) 9.516 4.134 ( 1.399 0.808 10.102) 10.231 4.157 ( 2.556 1.475 -9.531) 9.977 4.258 ( -2.192 -1.266 -4.254) 4.950 4.317 ( -2.527 -1.459 5.541) 6.263 4.423 ( 1.358 0.784 0.269) 1.591 4.481 ( -2.168 -1.252 -3.625) 4.406 4.497 ( -0.412 -0.238 -2.567) 2.611 4.555 ( -2.027 -1.170 0.035) 2.341 4.586 ( 1.489 0.860 3.450) 3.855 4.589 ( -0.390 -0.225 4.898) 4.919 4.658 ( -2.295 -1.325 -2.910) 3.936 4.728 ( -1.605 -0.927 3.051) 3.570 4.781 ( 0.574 0.331 -2.836) 2.913 4.805 ( 1.585 0.915 -1.326) 2.260 4.848 ( -2.968 -1.714 2.320) 4.139 4.891 ( -3.557 -2.054 -3.445) 5.361 4.957 ( -4.344 -2.508 3.236) 5.969 4.963 ( -1.651 -0.953 -2.143) 2.868 5.008 ( -1.280 -0.739 6.484) 6.650 5.065 ( -2.626 -1.516 -3.468) 4.606 5.130 ( 2.420 1.397 -3.178) 4.232 5.226 ( 5.606 3.236 -1.190) 6.581 5.290 ( 3.093 1.785 -3.497) 4.998 5.301 ( -4.109 -2.372 6.346) 7.923 5.349 ( 1.558 0.899 -2.195) 2.838 5.400 ( 6.658 3.844 1.276) 7.794 6.021 ( -3.148 -1.817 -2.719) 4.539 6.060 ( -2.637 -1.522 3.414) 4.575 6.153 ( 1.503 0.868 1.635) 2.384 6.189 ( 3.321 1.917 -2.659) 4.666 6.345 ( -6.527 -3.769 -1.441) 7.674 6.363 ( -5.709 -3.296 0.447) 6.607 6.507 ( -1.690 -0.976 -2.056) 2.834 6.616 ( -1.937 -1.118 7.269) 7.606 6.764 ( 4.283 2.473 -9.659) 10.852 6.828 ( 7.248 4.184 4.561) 9.531 6.976 ( -1.569 -0.906 1.633) 2.439 6.992 ( -1.805 -1.042 0.846) 2.250 7.149 ( -6.693 -3.864 -4.818) 9.107 7.152 ( -2.742 -1.583 6.927) 7.616 7.278 ( -4.430 -2.558 -0.913) 5.197 7.451 ( -4.680 -2.702 -3.274) 6.319 7.455 ( -7.204 -4.159 -4.278) 9.354 7.525 ( -2.293 -1.324 -0.663) 2.729 7.624 ( -1.530 -0.884 4.166) 4.525 7.737 ( 0.076 0.044 4.978) 4.979 7.893 ( 8.624 4.979 5.147) 11.209 7.958 ( 3.938 2.273 -3.749) 5.893 8.028 ( 10.686 6.169 -4.986) 13.308 8.053 ( 6.975 4.027 -2.187) 8.346 8.315 ( 6.854 3.957 7.342) 10.796 8.515 ( 14.314 8.264 -8.164) 18.434 8.826 ( -0.750 -0.433 -0.726) 1.130 8.882 ( -0.152 -0.088 0.712) 0.733 8.895 ( 12.517 7.227 -3.644) 14.905 8.949 ( 9.543 5.509 -0.034) 11.019 9.023 ( 11.287 6.517 8.299) 15.452 9.063 ( 14.815 8.554 0.116) 17.108 9.426 ( -9.848 -5.686 -6.108) 12.908 9.912 ( 0.132 0.076 6.752) 6.754 10.038 ( 10.224 5.903 1.173) 11.864 10.263 ( 8.123 4.690 -0.569) 9.397 10.498 ( -9.972 -5.758 -2.324) 11.747 10.617 ( -5.782 -3.338 -2.312) 7.065 10.671 ( -11.767 -6.794 -2.999) 13.915 10.954 ( -3.086 -1.782 1.362) 3.815 11.232 ( -11.193 -6.463 11.626) 17.385 11.238 ( -9.621 -5.555 3.533) 11.658 11.480 ( -11.668 -6.737 -4.150) 14.098 11.558 ( -8.845 -5.107 -9.551) 13.984 11.691 ( -7.080 -4.088 -2.546) 8.563 11.834 ( -6.285 -3.629 2.243) 7.596 11.998 ( -11.096 -6.406 0.308) 12.816 11.999 ( -10.623 -6.133 0.416) 12.273 12.074 ( -8.142 -4.701 0.365) 9.409 12.091 ( -7.376 -4.258 -0.959) 8.571 12.379 ( -3.569 -2.060 8.906) 9.813 12.488 ( -0.622 -0.359 -7.835) 7.867 12.543 ( -9.034 -5.216 -0.121) 10.432 12.565 ( -9.562 -5.520 0.127) 11.042 12.670 ( -1.019 -0.589 1.659) 2.034 12.727 ( 1.345 0.776 -0.770) 1.733 12.970 ( 5.877 3.393 0.593) 6.812 12.982 ( 5.636 3.254 -0.550) 6.531 16.407 ( -21.760 -12.563 3.725) 25.401 16.459 ( -20.609 -11.898 -1.388) 23.837 16.597 ( -16.868 -9.739 4.396) 19.967 16.703 ( -21.546 -12.440 -6.654) 25.754 17.758 ( -1.230 -0.710 -0.830) 1.645 17.807 ( 1.340 0.773 0.830) 1.756 17.972 ( 0.896 0.517 -7.094) 7.169 18.088 ( 0.607 0.350 5.613) 5.657 18.381 ( 10.223 5.902 -0.348) 11.809 18.402 ( 10.881 6.282 0.775) 12.588 19.323 ( 23.139 13.360 -1.540) 26.764 19.629 ( 9.130 5.271 -7.796) 13.111 19.854 ( 9.229 5.329 17.604) 20.579 19.891 ( 4.975 2.872 -0.495) 5.766 20.150 ( -1.687 -0.974 -4.991) 5.358 20.361 ( 2.992 1.727 -11.894) 12.386 20.408 ( 3.639 2.101 0.725) 4.265 20.427 ( 7.097 4.098 6.999) 10.777 20.490 ( 9.486 5.477 1.003) 11.000 20.968 ( 34.829 20.109 7.873) 40.981 21.957 ( -27.087 -15.639 -12.024) 33.509 22.485 ( -14.039 -8.106 -6.598) 17.503 23.040 ( -8.123 -4.690 37.125) 38.292 23.183 ( -1.881 -1.086 -28.342) 28.425 24.236 ( -14.004 -8.085 10.621) 19.347 24.364 ( -6.218 -3.590 -7.871) 10.654 25.089 ( -9.807 -5.662 4.323) 12.121 25.132 ( -6.710 -3.874 -4.137) 8.784 25.572 ( -12.637 -7.296 1.796) 14.702 25.588 ( -11.407 -6.586 -1.535) 13.260 ======================= Grid point 115 (18/28) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 12.921 7.460 -9.013) 17.430 1.893 ( 12.113 6.994 8.473) 16.353 2.131 ( 8.426 4.865 -12.105) 15.530 2.197 ( 7.958 4.594 15.633) 18.133 2.519 ( 13.365 7.716 -8.112) 17.435 2.627 ( 10.206 5.892 3.561) 12.311 2.700 ( 17.376 10.032 -1.114) 20.095 2.790 ( 8.611 4.972 3.551) 10.558 2.888 ( 2.775 1.602 0.910) 3.331 3.012 ( 26.625 15.372 2.279) 30.828 3.072 ( 6.150 3.551 5.370) 8.903 3.176 ( 19.194 11.081 -3.523) 22.441 3.210 ( 13.710 7.915 -6.415) 17.081 3.269 ( 15.035 8.680 -4.179) 17.856 3.294 ( 19.524 11.272 6.720) 23.525 3.357 ( 18.644 10.764 -1.605) 21.588 3.456 ( 9.661 5.578 -8.655) 14.119 3.509 ( 8.019 4.630 3.983) 10.080 3.560 ( 2.553 1.474 4.468) 5.352 3.628 ( 4.372 2.524 -3.810) 6.325 3.671 ( 10.005 5.776 -1.181) 11.613 3.698 ( 4.108 2.372 1.740) 5.052 3.781 ( 12.100 6.986 -3.772) 14.472 3.794 ( 9.231 5.330 5.127) 11.828 3.857 ( 4.513 2.606 -1.262) 5.362 3.859 ( 1.087 0.627 -0.616) 1.398 3.941 ( 6.917 3.993 0.350) 7.994 3.953 ( 8.825 5.095 4.919) 11.315 4.104 ( -1.171 -0.676 4.698) 4.889 4.128 ( 2.868 1.656 -4.078) 5.254 4.211 ( 5.290 3.054 -3.680) 7.132 4.241 ( 4.618 2.666 -5.733) 7.830 4.250 ( 3.154 1.821 6.475) 7.429 4.292 ( -1.582 -0.914 4.352) 4.720 4.395 ( -4.878 -2.816 -5.962) 8.202 4.443 ( -0.519 -0.300 1.009) 1.173 4.507 ( -2.481 -1.432 2.287) 3.665 4.524 ( 4.142 2.391 -2.871) 5.578 4.556 ( -1.683 -0.972 0.596) 2.033 4.608 ( -2.470 -1.426 -2.396) 3.725 4.620 ( 0.655 0.378 0.445) 0.878 4.670 ( -3.151 -1.819 3.489) 5.041 4.727 ( -4.745 -2.740 -0.632) 5.516 4.750 ( -6.215 -3.588 -2.947) 7.759 4.786 ( -2.849 -1.645 2.883) 4.374 4.800 ( -1.439 -0.831 -0.151) 1.669 4.882 ( -3.586 -2.070 1.710) 4.480 4.885 ( -1.640 -0.947 0.688) 2.014 4.958 ( -4.715 -2.722 -2.968) 6.200 4.987 ( 0.072 0.042 -0.156) 0.177 5.222 ( 5.527 3.191 1.308) 6.515 5.314 ( 3.296 1.903 -3.795) 5.375 5.346 ( 6.728 3.885 3.028) 8.338 5.392 ( 3.872 2.235 4.455) 6.311 5.499 ( 8.809 5.086 -5.608) 11.615 5.550 ( 5.951 3.436 1.755) 7.092 5.904 ( -3.971 -2.293 -0.527) 4.616 5.926 ( -5.956 -3.438 1.064) 6.959 6.096 ( -8.806 -5.084 1.187) 10.237 6.169 ( -4.575 -2.642 -6.842) 8.644 6.170 ( -7.136 -4.120 -2.371) 8.574 6.243 ( -4.110 -2.373 6.799) 8.291 6.589 ( 0.886 0.512 -0.651) 1.213 6.607 ( 7.501 4.331 3.417) 9.311 6.779 ( -6.509 -3.758 -1.514) 7.667 6.843 ( -7.390 -4.266 -2.425) 8.871 6.909 ( 0.512 0.296 2.715) 2.778 7.008 ( 2.258 1.304 -1.667) 3.095 7.125 ( 4.528 2.614 4.125) 6.660 7.206 ( 3.406 1.967 4.629) 6.074 7.243 ( 2.218 1.281 3.692) 4.493 7.296 ( -5.154 -2.976 -10.531) 12.096 7.353 ( -1.406 -0.812 -6.199) 6.408 7.499 ( -0.165 -0.095 -3.484) 3.489 7.615 ( 1.030 0.595 3.687) 3.874 7.753 ( 2.015 1.164 13.389) 13.590 7.964 ( -2.831 -1.634 -9.764) 10.296 8.059 ( 5.498 3.174 0.030) 6.349 8.185 ( 4.311 2.489 -2.190) 5.439 8.276 ( 8.293 4.788 3.929) 10.350 8.477 ( 7.295 4.212 0.182) 8.426 8.756 ( 4.559 2.632 2.216) 5.712 8.890 ( 2.623 1.514 0.556) 3.079 8.919 ( 8.393 4.846 -6.433) 11.632 9.053 ( -7.952 -4.591 6.540) 11.273 9.087 ( -0.352 -0.203 -2.424) 2.458 9.156 ( 8.655 4.997 -2.592) 10.324 9.288 ( 4.456 2.573 1.733) 5.430 9.394 ( 7.138 4.121 -7.133) 10.900 9.880 ( -5.355 -3.092 16.716) 17.823 10.293 ( 8.644 4.990 5.134) 11.224 10.335 ( -0.519 -0.300 -17.617) 17.627 10.399 ( 3.362 1.941 -11.072) 11.733 10.430 ( -5.898 -3.405 2.040) 7.109 10.604 ( 4.593 2.651 8.670) 10.163 10.858 ( -4.157 -2.400 -4.366) 6.489 10.918 ( -12.003 -6.930 7.930) 15.968 10.978 ( -10.396 -6.002 6.863) 13.828 11.288 ( -5.661 -3.268 2.076) 6.858 11.356 ( -8.186 -4.726 -14.417) 17.239 11.537 ( -5.712 -3.298 2.368) 7.007 11.610 ( -12.679 -7.320 1.610) 14.729 11.735 ( -11.450 -6.610 0.045) 13.221 11.736 ( -10.010 -5.780 0.153) 11.560 11.855 ( -9.952 -5.746 -2.794) 11.827 11.862 ( -11.265 -6.504 2.332) 13.215 12.264 ( -13.091 -7.558 0.004) 15.116 12.284 ( -12.419 -7.170 1.071) 14.381 12.338 ( -1.714 -0.990 2.966) 3.566 12.500 ( 0.185 0.107 -4.204) 4.210 12.607 ( -3.799 -2.193 1.114) 4.526 12.713 ( -2.076 -1.198 0.087) 2.399 13.086 ( 3.749 2.164 0.239) 4.335 13.094 ( 3.550 2.050 -0.237) 4.106 15.949 ( -16.223 -9.366 3.470) 19.051 15.987 ( -17.531 -10.121 -3.070) 20.474 16.268 ( -10.991 -6.346 4.554) 13.484 16.317 ( -12.189 -7.037 -5.519) 15.118 17.742 ( 0.033 0.019 1.203) 1.203 17.840 ( 1.403 0.810 -1.005) 1.906 17.960 ( -1.198 -0.692 -2.261) 2.650 18.083 ( -1.370 -0.791 2.417) 2.888 18.561 ( 4.395 2.537 1.885) 5.413 18.592 ( 4.565 2.636 -1.605) 5.511 19.478 ( -13.505 -7.797 1.130) 15.635 19.542 ( -3.106 -1.793 -1.628) 3.939 20.024 ( 5.707 3.295 6.012) 8.921 20.052 ( 1.286 0.742 1.250) 1.941 20.160 ( 4.978 2.874 -3.892) 6.942 20.297 ( -4.782 -2.761 -7.945) 9.675 20.461 ( 1.132 0.654 0.930) 1.604 20.527 ( -2.506 -1.447 8.435) 8.918 20.725 ( 10.419 6.015 -12.386) 17.267 21.176 ( -13.016 -7.515 15.253) 21.414 22.088 ( 30.658 17.700 -13.408) 37.855 22.489 ( 13.450 7.766 -3.062) 15.830 22.826 ( -7.027 -4.057 27.334) 28.513 23.176 ( 3.210 1.853 -27.303) 27.554 23.896 ( -14.090 -8.135 17.811) 24.123 24.238 ( -4.705 -2.716 -11.124) 12.380 24.821 ( -13.048 -7.533 9.109) 17.606 24.970 ( -7.874 -4.546 -8.910) 12.730 25.251 ( -13.221 -7.633 5.623) 16.269 25.314 ( -10.947 -6.320 -3.289) 13.062 ======================= Grid point 117 (19/28) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.614 1.509 10.958) 11.366 2.054 ( 2.721 1.571 -14.086) 14.433 2.405 ( 13.024 7.520 -6.318) 16.312 2.445 ( 12.195 7.041 12.438) 18.788 2.717 ( 5.227 3.018 -4.177) 7.340 2.744 ( 2.424 1.400 3.196) 4.248 2.832 ( 0.448 0.259 -0.777) 0.933 2.987 ( -6.629 -3.827 -0.000) 7.655 3.099 ( 11.408 6.586 -2.636) 13.434 3.172 ( 10.448 6.032 4.254) 12.792 3.399 ( 7.166 4.137 -0.353) 8.282 3.407 ( 1.768 1.021 -1.578) 2.580 3.490 ( 3.587 2.071 -13.715) 14.327 3.525 ( 1.432 0.827 9.216) 9.363 3.608 ( 10.460 6.039 2.209) 12.279 3.641 ( 6.141 3.546 -0.820) 7.139 3.678 ( 8.703 5.025 -1.291) 10.132 3.712 ( 8.144 4.702 1.844) 9.583 3.753 ( 12.642 7.299 -1.209) 14.648 3.812 ( 5.514 3.183 -0.768) 6.413 3.844 ( 9.118 5.264 1.863) 10.692 3.844 ( 10.007 5.777 1.588) 11.663 3.960 ( 9.513 5.492 -2.229) 11.208 3.994 ( 8.075 4.662 1.517) 9.447 4.007 ( 5.161 2.980 2.618) 6.509 4.033 ( 8.183 4.725 0.515) 9.463 4.086 ( 7.124 4.113 -2.101) 8.490 4.116 ( 4.761 2.749 4.040) 6.822 4.163 ( 5.183 2.992 0.153) 5.986 4.174 ( 1.133 0.654 -2.985) 3.260 4.213 ( -2.212 -1.277 0.706) 2.650 4.218 ( -1.583 -0.914 1.091) 2.129 4.258 ( -5.325 -3.074 -3.265) 6.961 4.303 ( -0.717 -0.414 -2.260) 2.406 4.313 ( -5.610 -3.239 1.637) 6.681 4.398 ( -3.797 -2.192 4.652) 6.392 4.437 ( -0.118 -0.068 -4.226) 4.228 4.530 ( -3.176 -1.834 1.975) 4.166 4.530 ( -6.232 -3.598 -1.434) 7.338 4.548 ( -0.302 -0.174 -3.196) 3.215 4.591 ( -6.170 -3.562 2.872) 7.682 4.620 ( -1.078 -0.622 -1.235) 1.753 4.664 ( -0.251 -0.145 -0.832) 0.882 4.671 ( 0.268 0.155 -0.242) 0.393 4.720 ( 1.507 0.870 3.181) 3.626 4.799 ( -1.128 -0.651 -0.573) 1.423 4.833 ( -1.889 -1.091 -1.320) 2.550 4.852 ( -0.255 -0.147 0.726) 0.783 4.938 ( 3.598 2.077 -2.917) 5.077 4.988 ( 0.483 0.279 2.747) 2.803 5.369 ( 1.436 0.829 -0.303) 1.685 5.369 ( 4.440 2.563 0.013) 5.127 5.462 ( 1.615 0.932 1.416) 2.341 5.563 ( 12.133 7.005 0.201) 14.011 5.607 ( -3.584 -2.069 3.210) 5.238 5.688 ( 7.780 4.492 -4.117) 9.882 5.873 ( 0.735 0.424 -1.326) 1.574 5.903 ( -3.517 -2.030 1.160) 4.223 5.942 ( 6.331 3.655 -0.565) 7.332 5.993 ( -6.041 -3.488 -2.332) 7.355 6.099 ( -6.532 -3.771 8.570) 11.416 6.123 ( 1.277 0.737 -6.032) 6.210 6.481 ( -11.815 -6.821 -2.257) 13.828 6.519 ( -13.151 -7.593 3.399) 15.561 6.745 ( 1.842 1.063 0.855) 2.292 6.784 ( 3.564 2.058 -0.732) 4.180 6.959 ( 4.015 2.318 5.808) 7.432 7.005 ( -1.438 -0.830 -5.922) 6.151 7.163 ( -2.812 -1.623 -10.242) 10.745 7.219 ( -1.913 -1.105 9.231) 9.492 7.235 ( 2.900 1.675 4.403) 5.532 7.341 ( -2.413 -1.393 -6.349) 6.934 7.426 ( 8.932 5.157 7.078) 12.509 7.557 ( 4.557 2.631 -9.233) 10.627 7.663 ( 2.665 1.539 2.742) 4.121 7.817 ( -0.843 -0.487 -3.077) 3.228 7.927 ( 5.143 2.969 7.385) 9.477 8.157 ( 2.740 1.582 -2.024) 3.755 8.254 ( 1.356 0.783 -4.286) 4.563 8.353 ( -1.388 -0.801 4.343) 4.630 8.670 ( 7.368 4.254 -5.475) 10.117 8.711 ( -5.515 -3.184 7.043) 9.495 8.948 ( -6.857 -3.959 1.562) 8.071 8.987 ( 1.764 1.018 -2.542) 3.258 9.030 ( 6.936 4.004 2.096) 8.278 9.069 ( 3.139 1.812 -4.726) 5.956 9.287 ( 2.111 1.219 0.174) 2.443 9.290 ( -3.604 -2.081 0.671) 4.215 9.531 ( 3.363 1.942 -5.128) 6.433 9.689 ( -7.709 -4.451 6.202) 10.849 10.258 ( -2.715 -1.567 4.267) 5.294 10.336 ( -1.003 -0.579 -2.232) 2.515 10.534 ( 4.630 2.673 2.321) 5.828 10.565 ( 3.393 1.959 -9.512) 10.288 10.693 ( 8.047 4.646 2.717) 9.681 10.824 ( -0.903 -0.521 0.226) 1.067 10.826 ( 3.386 1.955 3.600) 5.315 10.840 ( 3.199 1.847 -0.412) 3.717 11.194 ( -2.483 -1.434 6.994) 7.559 11.200 ( -4.894 -2.825 -8.488) 10.197 11.296 ( -12.217 -7.054 -1.879) 14.232 11.417 ( -5.411 -3.124 1.407) 6.405 11.458 ( -10.637 -6.141 0.464) 12.291 11.529 ( -7.168 -4.138 -0.651) 8.302 11.613 ( -8.415 -4.859 3.857) 10.454 11.629 ( -8.376 -4.836 -3.465) 10.274 11.953 ( -12.001 -6.929 -0.134) 13.859 11.971 ( -12.273 -7.086 0.315) 14.175 12.337 ( 1.074 0.620 -0.264) 1.268 12.477 ( -3.290 -1.900 4.567) 5.941 12.538 ( -0.290 -0.168 -5.466) 5.476 12.645 ( -3.334 -1.925 1.244) 4.046 13.148 ( 1.560 0.901 0.123) 1.806 13.151 ( 1.404 0.810 -0.122) 1.625 15.656 ( -8.421 -4.862 2.262) 9.984 15.669 ( -9.194 -5.308 -2.342) 10.872 16.081 ( -4.932 -2.847 5.660) 8.029 16.105 ( -5.948 -3.434 -5.886) 9.045 17.769 ( 2.486 1.436 3.744) 4.718 17.874 ( 1.519 0.877 -3.100) 3.562 17.934 ( -0.902 -0.521 1.379) 1.728 18.008 ( -5.060 -2.921 -2.208) 6.245 18.567 ( -3.022 -1.745 4.410) 5.623 18.606 ( -2.933 -1.693 -3.934) 5.191 19.208 ( -6.587 -3.803 0.209) 7.609 19.327 ( -10.514 -6.070 0.048) 12.141 20.029 ( -0.770 -0.445 -1.336) 1.605 20.097 ( -0.643 -0.371 3.209) 3.294 20.256 ( 1.966 1.135 0.506) 2.326 20.269 ( 2.709 1.564 -5.973) 6.743 20.450 ( -2.471 -1.427 5.527) 6.220 20.468 ( -0.556 -0.321 -0.786) 1.015 20.903 ( 4.466 2.578 -11.051) 12.195 20.983 ( -3.231 -1.866 9.805) 10.491 22.637 ( 12.948 7.476 -3.202) 15.290 22.703 ( 1.208 0.697 3.223) 3.512 22.969 ( 18.379 10.611 6.694) 22.253 23.385 ( 12.979 7.493 -21.284) 26.031 23.612 ( -8.039 -4.641 16.131) 18.611 24.129 ( -5.796 -3.346 -3.392) 7.503 24.501 ( -11.828 -6.829 5.524) 14.732 24.709 ( -13.610 -7.857 -5.698) 16.716 25.033 ( -4.751 -2.743 5.139) 7.517 25.099 ( -6.922 -3.996 -3.263) 8.633 ======================= Grid point 119 (20/28) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 31 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.211 -0.122 -15.564) 15.566 2.079 ( 0.211 0.122 15.564) 15.566 2.633 ( 1.583 0.914 -4.553) 4.906 2.633 ( -1.583 -0.914 4.553) 4.906 2.763 ( 0.298 0.172 -1.043) 1.098 2.763 ( -0.298 -0.172 1.043) 1.098 2.853 ( 2.095 1.209 -2.426) 3.426 2.853 ( -2.095 -1.209 2.426) 3.426 3.200 ( 1.283 0.741 -6.813) 6.972 3.200 ( -1.283 -0.741 6.813) 6.972 3.495 ( 0.530 0.306 -4.521) 4.562 3.495 ( -0.530 -0.306 4.521) 4.562 3.565 ( 0.336 0.194 -7.056) 7.067 3.565 ( -0.336 -0.194 7.056) 7.067 3.643 ( -1.989 -1.148 -0.122) 2.300 3.643 ( 1.989 1.148 0.122) 2.300 3.856 ( -4.159 -2.401 1.191) 4.948 3.856 ( 4.159 2.401 -1.191) 4.948 3.893 ( 1.145 0.661 -3.739) 3.966 3.893 ( -1.145 -0.661 3.739) 3.966 3.980 ( -5.338 -3.082 2.724) 6.739 3.980 ( 5.338 3.082 -2.724) 6.739 4.090 ( -3.601 -2.079 -0.550) 4.194 4.090 ( 3.601 2.079 0.550) 4.194 4.113 ( -4.254 -2.456 0.061) 4.912 4.113 ( 4.254 2.456 -0.061) 4.912 4.128 ( -0.174 -0.101 -1.220) 1.236 4.128 ( 0.174 0.101 1.220) 1.236 4.185 ( -3.350 -1.934 -3.717) 5.365 4.185 ( 3.350 1.934 3.717) 5.365 4.217 ( -0.504 -0.291 -1.510) 1.618 4.217 ( 0.504 0.291 1.510) 1.618 4.281 ( -0.924 -0.533 0.430) 1.150 4.281 ( 0.924 0.533 -0.430) 1.150 4.373 ( -4.866 -2.809 -0.562) 5.646 4.373 ( 4.866 2.809 0.562) 5.646 4.400 ( -7.554 -4.361 1.333) 8.824 4.400 ( 7.554 4.361 -1.333) 8.824 4.429 ( 1.563 0.903 -4.243) 4.612 4.429 ( -1.563 -0.903 4.243) 4.611 4.567 ( -3.169 -1.830 2.138) 4.238 4.567 ( 3.169 1.830 -2.138) 4.238 4.671 ( 2.044 1.180 -2.522) 3.454 4.671 ( -2.044 -1.180 2.522) 3.454 4.791 ( -2.413 -1.393 0.375) 2.812 4.791 ( 2.413 1.393 -0.375) 2.812 4.804 ( -3.020 -1.743 0.747) 3.566 4.804 ( 3.020 1.743 -0.747) 3.566 5.003 ( 0.452 0.261 -2.857) 2.904 5.003 ( -0.452 -0.261 2.857) 2.904 5.410 ( 1.282 0.740 -1.518) 2.120 5.410 ( -1.282 -0.740 1.518) 2.120 5.493 ( -2.796 -1.614 -0.863) 3.342 5.493 ( 2.796 1.614 0.863) 3.342 5.805 ( -1.605 -0.927 1.120) 2.166 5.805 ( 1.605 0.927 -1.120) 2.166 5.843 ( -9.129 -5.271 -1.570) 10.658 5.843 ( 9.129 5.271 1.570) 10.658 5.993 ( 3.503 2.022 -3.956) 5.658 5.993 ( -3.503 -2.022 3.956) 5.658 6.170 ( -11.001 -6.352 2.444) 12.936 6.170 ( 11.001 6.352 -2.444) 12.936 6.232 ( -4.597 -2.654 1.312) 5.468 6.232 ( 4.597 2.654 -1.312) 5.468 6.792 ( -2.622 -1.514 -2.128) 3.701 6.792 ( 2.622 1.514 2.128) 3.701 7.030 ( 0.388 0.224 -1.125) 1.211 7.030 ( -0.388 -0.224 1.125) 1.211 7.137 ( 2.470 1.426 -13.957) 14.245 7.137 ( -2.470 -1.426 13.957) 14.245 7.282 ( -1.721 -0.993 -2.675) 3.332 7.282 ( 1.721 0.993 2.675) 3.332 7.589 ( -3.193 -1.843 -11.642) 12.212 7.589 ( 3.193 1.843 11.642) 12.212 7.734 ( -3.734 -2.156 -4.059) 5.921 7.734 ( 3.734 2.156 4.059) 5.921 8.140 ( -7.010 -4.047 -7.051) 10.735 8.140 ( 7.010 4.047 7.051) 10.735 8.272 ( 2.160 1.247 -4.244) 4.923 8.272 ( -2.160 -1.247 4.244) 4.923 8.679 ( -3.196 -1.845 -9.075) 9.797 8.679 ( 3.196 1.845 9.075) 9.797 8.935 ( -5.166 -2.983 -2.833) 6.604 8.935 ( 5.166 2.983 2.833) 6.604 9.162 ( -4.395 -2.538 2.684) 5.741 9.162 ( 4.395 2.538 -2.684) 5.741 9.231 ( -5.867 -3.388 -2.346) 7.170 9.231 ( 5.867 3.388 2.346) 7.170 9.580 ( 2.104 1.215 -4.005) 4.685 9.580 ( -2.104 -1.215 4.005) 4.685 10.267 ( -3.075 -1.775 1.048) 3.702 10.267 ( 3.075 1.775 -1.048) 3.702 10.582 ( -0.345 -0.199 -0.624) 0.740 10.582 ( 0.345 0.199 0.624) 0.740 10.860 ( 1.801 1.040 -1.680) 2.673 10.860 ( -1.801 -1.040 1.680) 2.673 10.943 ( 2.833 1.636 -4.324) 5.422 10.943 ( -2.833 -1.636 4.324) 5.422 11.078 ( 1.080 0.624 -2.142) 2.479 11.078 ( -1.080 -0.624 2.142) 2.479 11.226 ( -4.162 -2.403 -5.348) 7.190 11.226 ( 4.162 2.403 5.348) 7.190 11.412 ( -2.683 -1.549 0.253) 3.109 11.412 ( 2.683 1.549 -0.253) 3.109 11.514 ( -0.465 -0.269 -3.691) 3.730 11.514 ( 0.465 0.269 3.691) 3.730 11.792 ( 0.631 0.364 -0.677) 0.994 11.792 ( -0.631 -0.364 0.677) 0.994 12.389 ( 3.280 1.894 -3.059) 4.869 12.389 ( -3.280 -1.894 3.059) 4.869 12.572 ( 2.551 1.473 -3.107) 4.281 12.572 ( -2.551 -1.473 3.107) 4.281 13.166 ( -0.054 -0.031 -0.093) 0.112 13.166 ( 0.054 0.031 0.093) 0.112 15.558 ( -0.205 -0.118 -1.827) 1.842 15.558 ( 0.205 0.118 1.827) 1.842 16.030 ( -0.517 -0.298 -6.158) 6.187 16.030 ( 0.517 0.298 6.158) 6.187 17.866 ( -5.492 -3.171 -5.463) 8.370 17.866 ( 5.492 3.171 5.463) 8.370 17.912 ( 1.051 0.607 -2.650) 2.915 17.912 ( -1.051 -0.607 2.650) 2.915 18.529 ( -1.420 -0.820 -4.879) 5.147 18.529 ( 1.420 0.820 4.879) 5.147 19.169 ( -2.568 -1.483 0.487) 3.005 19.169 ( 2.568 1.483 -0.487) 3.005 20.049 ( -2.190 -1.264 -0.646) 2.610 20.049 ( 2.190 1.264 0.646) 2.610 20.295 ( -0.284 -0.164 -7.017) 7.025 20.295 ( 0.284 0.164 7.017) 7.025 20.440 ( -1.277 -0.738 -3.556) 3.850 20.440 ( 1.277 0.738 3.556) 3.850 20.955 ( 0.633 0.365 -10.527) 10.552 20.955 ( -0.633 -0.365 10.527) 10.552 22.746 ( -0.996 -0.575 -1.204) 1.665 22.746 ( 0.996 0.575 1.204) 1.665 23.331 ( -11.162 -6.445 1.015) 12.929 23.331 ( 11.162 6.445 -1.015) 12.929 23.849 ( -17.153 -9.903 9.119) 21.805 23.849 ( 17.153 9.903 -9.119) 21.805 24.437 ( -6.805 -3.929 1.309) 7.966 24.437 ( 6.805 3.929 -1.309) 7.966 24.998 ( -1.516 -0.875 -2.967) 3.445 24.998 ( 1.516 0.875 2.967) 3.445 ======================= Grid point 133 (21/28) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 8.108 16.496 -24.236) 30.418 1.403 ( 10.231 15.270 24.236) 30.418 1.679 ( 15.449 29.942 -7.847) 34.594 1.679 ( 18.206 28.350 7.847) 34.594 1.980 ( 19.718 31.588 -4.636) 37.524 1.980 ( 17.497 32.870 4.636) 37.524 2.271 ( 6.304 15.943 -9.594) 19.646 2.271 ( 10.655 13.431 9.594) 19.646 2.490 ( 3.452 23.972 -12.824) 27.405 2.490 ( 19.034 14.975 12.824) 27.405 2.602 ( 2.991 10.047 -4.003) 11.221 2.602 ( 7.205 7.614 4.003) 11.221 2.773 ( 9.376 10.549 -7.341) 15.908 2.773 ( 4.448 13.394 7.341) 15.908 3.100 ( 11.581 4.896 -6.554) 14.179 3.100 ( -1.550 12.478 6.554) 14.179 3.243 ( 5.269 6.240 -3.907) 9.053 3.243 ( 2.769 7.683 3.907) 9.053 3.273 ( 0.759 7.613 -10.231) 12.775 3.273 ( 6.213 4.464 10.231) 12.775 3.502 ( 3.639 5.756 -4.114) 7.957 3.502 ( 3.166 6.030 4.114) 7.957 3.535 ( 6.719 7.796 -5.815) 11.821 3.535 ( 3.392 9.717 5.815) 11.821 3.775 ( 1.380 1.269 -3.301) 3.796 3.775 ( 0.409 1.829 3.301) 3.796 3.814 ( 0.201 1.466 -2.817) 3.182 3.814 ( 1.169 0.907 2.817) 3.182 3.992 ( -2.211 2.193 -11.275) 11.698 3.992 ( 3.005 -0.819 11.275) 11.698 4.132 ( 1.481 2.697 -11.172) 11.587 4.132 ( 1.595 2.631 11.172) 11.587 4.360 ( -0.668 1.573 -0.999) 1.980 4.360 ( 1.697 0.208 0.999) 1.980 4.426 ( 2.381 -2.118 -4.953) 5.890 4.426 ( -3.025 1.003 4.953) 5.890 4.541 ( -2.539 1.209 -6.365) 6.959 4.541 ( 2.317 -1.594 6.365) 6.959 4.580 ( -1.203 -0.681 -2.058) 2.479 4.580 ( 0.012 -1.382 2.058) 2.479 4.721 ( -3.092 0.306 -1.692) 3.538 4.721 ( 1.811 -2.525 1.692) 3.538 4.776 ( 1.503 2.598 -1.727) 3.463 4.776 ( 1.499 2.601 1.727) 3.463 4.887 ( 0.622 -2.434 -4.135) 4.839 4.887 ( -2.419 -0.678 4.135) 4.839 4.977 ( -1.831 -2.563 -3.618) 4.797 4.977 ( -1.304 -2.867 3.618) 4.797 5.062 ( 0.763 -3.056 -4.311) 5.339 5.062 ( -3.028 -0.868 4.311) 5.339 5.123 ( -0.117 4.192 -2.522) 4.894 5.123 ( 3.689 1.995 2.522) 4.894 5.307 ( -0.680 1.776 -4.032) 4.458 5.307 ( 1.878 0.299 4.032) 4.458 5.356 ( 0.565 -0.798 -2.951) 3.109 5.356 ( -0.974 0.091 2.951) 3.109 6.071 ( 0.086 4.912 -4.308) 6.534 6.071 ( 4.211 2.531 4.308) 6.534 6.133 ( 0.367 -2.761 -2.043) 3.454 6.133 ( -2.575 -1.062 2.043) 3.454 6.377 ( -3.862 -5.776 -1.024) 7.023 6.377 ( -3.071 -6.232 1.024) 7.023 6.607 ( -4.272 2.496 -5.361) 7.295 6.607 ( 4.297 -2.451 5.361) 7.295 6.758 ( 1.286 5.896 -7.103) 9.320 6.758 ( 4.464 4.062 7.103) 9.320 6.962 ( 0.447 -4.934 -8.139) 9.528 6.962 ( -4.496 -2.079 8.139) 9.528 7.179 ( -3.376 -7.735 -6.813) 10.847 7.179 ( -5.010 -6.791 6.813) 10.847 7.441 ( 0.777 -5.104 -4.738) 7.007 7.441 ( -4.809 -1.879 4.738) 7.007 7.529 ( -5.724 2.211 -1.240) 6.260 7.529 ( 4.776 -3.852 1.240) 6.260 7.668 ( 2.980 -3.191 -6.176) 7.563 7.668 ( -4.253 0.986 6.176) 7.563 7.835 ( 8.117 -1.062 -3.335) 8.840 7.835 ( -4.978 6.499 3.335) 8.840 7.949 ( 5.200 6.279 -3.229) 8.769 7.949 ( 2.837 7.643 3.229) 8.769 8.405 ( 13.037 10.453 -6.134) 17.801 8.405 ( 2.534 16.517 6.134) 17.801 8.841 ( 2.196 5.218 -2.206) 6.076 8.841 ( 3.421 4.510 2.206) 6.076 8.893 ( 5.855 11.472 -1.682) 12.990 8.893 ( 7.008 10.807 1.682) 12.990 8.928 ( 5.873 9.786 -2.613) 11.708 8.928 ( 5.538 9.979 2.613) 11.708 9.655 ( -12.034 1.165 -1.620) 12.198 9.655 ( 7.026 -9.839 1.620) 12.198 10.142 ( 0.650 10.655 -0.815) 10.706 10.142 ( 8.903 5.890 0.815) 10.706 10.595 ( -2.929 -11.526 -2.614) 12.176 10.595 ( -8.517 -8.299 2.614) 12.176 10.864 ( -10.743 -2.614 -5.108) 12.180 10.864 ( 3.108 -10.611 5.108) 12.180 11.315 ( -3.606 -5.082 -6.274) 8.843 11.315 ( -2.598 -5.664 6.274) 8.843 11.565 ( -8.760 -12.992 -3.032) 15.960 11.565 ( -6.871 -14.082 3.032) 15.960 11.808 ( -6.988 -3.617 -3.561) 8.637 11.808 ( 0.362 -7.860 3.561) 8.637 12.065 ( -5.155 -9.194 -0.956) 10.584 12.065 ( -5.385 -9.061 0.956) 10.584 12.130 ( -3.621 -7.327 -1.745) 8.357 12.130 ( -4.535 -6.800 1.745) 8.357 12.447 ( 1.301 -4.935 -8.693) 10.081 12.447 ( -4.925 -1.341 8.693) 10.081 12.626 ( -3.777 -7.716 -0.334) 8.598 12.626 ( -4.794 -7.129 0.334) 8.598 12.680 ( 2.147 0.719 -1.495) 2.714 12.680 ( -0.451 2.219 1.495) 2.714 12.940 ( 3.756 5.410 -0.718) 6.626 12.940 ( 2.807 5.958 0.718) 6.626 16.439 ( -12.176 -24.383 -4.223) 27.579 16.439 ( -15.028 -22.736 4.223) 27.579 17.130 ( -15.858 -5.347 -1.843) 16.836 17.130 ( 3.298 -16.407 1.843) 16.836 17.491 ( -15.269 -0.945 -8.402) 17.454 17.491 ( 6.816 -13.696 8.402) 17.454 17.961 ( -4.085 -3.132 -3.485) 6.216 17.961 ( -0.670 -5.104 3.485) 6.216 18.375 ( 5.924 11.854 -2.030) 13.406 18.375 ( 7.304 11.057 2.030) 13.406 19.402 ( 32.949 27.832 -4.838) 43.401 19.402 ( 7.629 42.451 4.838) 43.401 19.833 ( 2.019 -0.347 -8.745) 8.982 19.833 ( -1.310 1.574 8.745) 8.982 20.222 ( -5.260 4.540 -3.787) 7.913 20.222 ( 6.561 -2.285 3.787) 7.913 20.373 ( 0.798 7.011 -5.229) 8.782 20.373 ( 5.673 4.197 5.229) 8.782 20.639 ( 23.848 16.101 -2.768) 28.907 20.639 ( 2.019 28.704 2.768) 28.907 22.385 ( 3.622 -32.848 -3.838) 33.269 22.385 ( -30.258 -13.287 3.838) 33.269 23.127 ( 1.721 -7.149 -33.312) 34.114 23.127 ( -7.052 -2.084 33.312) 34.114 24.361 ( -2.990 -12.212 -6.854) 14.320 24.361 ( -9.081 -8.696 6.854) 14.320 25.161 ( -3.648 -8.558 -2.858) 9.732 25.161 ( -5.587 -7.438 2.858) 9.732 25.652 ( -6.093 -11.385 -1.179) 12.967 25.652 ( -6.813 -10.970 1.179) 12.967 ======================= Grid point 135 (22/28) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 10.898 12.066 -5.874) 17.288 1.772 ( 14.444 13.009 6.408) 20.468 2.100 ( 4.301 13.160 -3.019) 14.171 2.181 ( 8.940 13.275 4.076) 16.516 2.366 ( 11.058 12.224 -3.639) 16.881 2.456 ( 11.592 4.105 0.223) 12.300 2.568 ( 11.460 17.718 2.374) 21.234 2.689 ( 13.889 6.411 -0.712) 15.314 2.805 ( 11.333 18.132 -3.740) 21.707 2.925 ( 17.395 15.370 -0.207) 23.213 2.957 ( 10.897 19.365 9.934) 24.340 3.014 ( 5.845 19.210 2.170) 20.197 3.074 ( 21.626 19.585 -2.612) 29.293 3.156 ( 15.919 13.614 -0.432) 20.951 3.211 ( 1.302 10.714 -5.751) 12.229 3.284 ( 4.040 10.744 1.425) 11.566 3.400 ( 4.873 12.521 -4.022) 14.025 3.435 ( 7.074 8.874 0.331) 11.354 3.512 ( 13.997 11.922 -1.494) 18.447 3.559 ( 13.854 5.607 3.851) 15.434 3.592 ( 1.955 7.207 1.240) 7.569 3.631 ( 3.390 3.299 -3.524) 5.899 3.719 ( 4.592 6.873 3.950) 9.161 3.730 ( 4.720 6.588 0.397) 8.113 3.815 ( 3.188 3.207 0.580) 4.560 3.844 ( 2.877 2.780 -2.719) 4.837 3.856 ( 3.418 4.265 -2.458) 5.993 3.899 ( 4.620 4.465 1.359) 6.567 4.003 ( 3.062 0.723 1.938) 3.696 4.077 ( 7.190 -2.958 2.054) 8.041 4.153 ( -0.359 1.863 -1.925) 2.703 4.192 ( 3.323 1.483 -1.164) 3.820 4.336 ( -3.629 4.564 0.584) 5.860 4.353 ( -3.485 1.313 4.859) 6.122 4.404 ( 0.003 -0.852 -3.906) 3.998 4.454 ( 0.230 -2.081 -0.604) 2.179 4.510 ( -1.383 0.953 -3.580) 3.954 4.534 ( -0.854 -0.260 -1.016) 1.353 4.575 ( -0.308 -0.526 2.631) 2.701 4.596 ( 1.831 0.368 3.091) 3.612 4.668 ( -3.880 1.383 -1.861) 4.520 4.705 ( -1.701 -1.058 1.442) 2.468 4.770 ( -2.648 -0.992 -0.296) 2.843 4.803 ( -0.897 -0.258 -0.199) 0.954 4.835 ( -2.715 -0.819 1.269) 3.107 4.842 ( -3.525 -1.267 -2.349) 4.421 4.887 ( -2.618 -4.482 0.752) 5.245 4.934 ( 1.625 -5.387 -1.665) 5.868 4.956 ( -5.505 -0.686 2.286) 6.000 5.008 ( -1.782 -2.458 -1.103) 3.230 5.184 ( 1.194 1.466 2.827) 3.401 5.234 ( 5.026 -0.641 -1.314) 5.234 5.292 ( 2.555 5.596 -1.008) 6.234 5.360 ( 7.575 3.135 -1.715) 8.376 5.411 ( 0.966 4.257 2.618) 5.091 5.478 ( 6.534 3.033 -0.919) 7.262 5.971 ( -7.517 -4.103 -1.277) 8.659 6.014 ( -7.161 -3.396 2.281) 8.247 6.086 ( -0.952 -8.751 1.184) 8.881 6.146 ( 0.950 -8.525 -1.972) 8.802 6.267 ( -6.261 -0.972 -4.268) 7.639 6.293 ( -2.079 -0.334 2.944) 3.619 6.533 ( -0.843 2.462 0.259) 2.615 6.652 ( 2.290 -0.056 1.325) 2.647 6.758 ( -2.672 -2.756 0.985) 3.963 6.856 ( 3.152 -4.262 -2.047) 5.683 6.956 ( -0.229 5.961 -0.458) 5.983 7.014 ( 3.539 4.503 1.538) 5.930 7.055 ( -1.891 -4.079 7.441) 8.694 7.093 ( 2.105 -2.881 -5.964) 6.950 7.325 ( -4.375 -1.697 5.019) 6.871 7.336 ( -2.991 -2.092 -7.579) 8.413 7.460 ( -6.417 3.664 -3.690) 8.260 7.530 ( -1.566 -0.010 -2.554) 2.996 7.607 ( -1.757 -0.044 3.957) 4.330 7.735 ( 3.340 -0.597 4.012) 5.254 7.875 ( 7.508 -2.175 7.372) 10.744 7.988 ( 9.824 -3.821 -4.030) 11.285 8.034 ( 0.268 3.872 -6.859) 7.881 8.118 ( 7.977 2.749 1.995) 8.670 8.576 ( -0.794 13.963 -1.423) 14.058 8.696 ( 7.620 5.322 2.702) 9.680 8.856 ( 1.689 3.710 0.870) 4.168 8.888 ( 4.735 4.509 -2.908) 7.156 9.076 ( 2.478 5.109 -4.218) 7.073 9.104 ( 3.345 6.297 4.428) 8.394 9.143 ( 3.334 6.254 2.806) 7.622 9.207 ( 8.256 4.946 2.963) 10.070 9.454 ( -9.674 8.831 -13.639) 18.910 9.774 ( 11.831 -7.402 12.273) 18.585 10.228 ( -0.340 4.048 10.682) 11.428 10.307 ( 2.311 -2.910 -14.380) 14.853 10.417 ( -1.998 0.743 -14.609) 14.764 10.457 ( -1.808 -5.526 12.129) 13.451 10.654 ( -6.526 1.627 0.079) 6.726 10.791 ( 1.104 -9.825 0.665) 9.909 11.111 ( -11.513 -5.954 7.152) 14.804 11.147 ( -11.978 -3.678 4.193) 13.213 11.277 ( -4.634 -11.435 -3.588) 12.849 11.366 ( -1.866 -12.555 -7.690) 14.840 11.611 ( -8.691 -6.017 0.742) 10.596 11.674 ( -5.719 -11.182 0.465) 12.569 11.841 ( -9.119 -7.203 2.379) 11.862 11.860 ( -7.204 -6.816 -2.015) 10.120 11.935 ( -7.754 -9.055 -1.519) 12.018 11.944 ( -7.439 -9.824 0.894) 12.356 12.335 ( -5.828 -5.389 3.661) 8.741 12.373 ( -5.803 -9.614 -1.439) 11.321 12.435 ( -8.106 -2.724 2.996) 9.061 12.497 ( -1.043 -2.453 -5.578) 6.182 12.637 ( -3.337 -2.498 1.909) 4.584 12.692 ( 0.922 -3.997 -0.593) 4.145 13.049 ( 3.267 3.606 0.265) 4.873 13.054 ( 3.515 3.250 -0.263) 4.795 16.016 ( -9.695 -16.628 3.883) 19.635 16.032 ( -8.776 -18.161 -3.591) 20.488 16.672 ( -28.866 5.590 1.951) 29.467 16.739 ( -30.056 3.983 -2.297) 30.406 17.486 ( 18.175 -22.670 -4.761) 29.444 17.572 ( 18.607 -22.240 3.607) 29.221 17.884 ( -0.291 -4.167 -1.539) 4.452 17.892 ( 1.086 -8.028 2.676) 8.532 18.510 ( 0.953 1.424 -1.327) 2.167 18.527 ( 1.826 0.293 1.406) 2.323 19.708 ( -5.624 11.430 -2.330) 12.950 19.742 ( -4.617 9.013 1.805) 10.287 19.928 ( 6.312 2.868 1.178) 7.033 19.964 ( 9.216 2.866 1.965) 9.850 20.165 ( -4.469 2.548 -6.612) 8.377 20.297 ( 1.767 -3.213 7.159) 8.044 20.469 ( 4.047 5.053 -10.204) 12.085 20.511 ( 6.507 2.717 5.451) 8.913 20.931 ( -10.548 33.372 0.189) 35.000 21.465 ( 26.152 25.636 13.914) 39.176 21.755 ( -17.407 -5.593 -10.829) 21.249 22.255 ( 14.722 -12.500 -9.525) 21.535 22.928 ( -9.725 -2.753 34.793) 36.231 23.092 ( 4.480 -6.164 -30.737) 31.668 24.070 ( -13.790 -7.326 14.906) 21.587 24.211 ( -0.705 -10.933 -12.085) 16.312 24.945 ( -9.969 -8.189 7.722) 15.035 25.002 ( -4.201 -9.071 -7.413) 12.445 25.369 ( -11.083 -11.947 3.563) 16.681 25.393 ( -8.588 -12.171 -2.925) 15.180 ======================= Grid point 137 (23/28) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.447 6.499 -1.858) 8.681 2.135 ( 5.680 12.175 -0.319) 13.438 2.204 ( 6.217 3.488 1.738) 7.338 2.393 ( 6.379 10.353 1.840) 12.299 2.617 ( 8.291 3.634 -2.586) 9.415 2.684 ( 8.847 0.089 -0.735) 8.878 2.859 ( 3.865 7.852 0.909) 8.799 2.999 ( 10.171 9.704 -0.069) 14.058 3.050 ( 4.555 12.414 6.100) 14.562 3.176 ( -0.774 12.596 1.243) 12.681 3.327 ( 2.904 4.674 -8.821) 10.397 3.361 ( 13.331 14.877 2.149) 20.092 3.431 ( 7.869 7.505 -8.972) 14.098 3.467 ( 6.313 4.836 6.903) 10.531 3.542 ( 15.512 14.293 0.316) 21.095 3.573 ( 5.450 10.757 -0.792) 12.085 3.615 ( 5.012 8.910 1.174) 10.290 3.663 ( 6.492 9.734 -0.081) 11.701 3.692 ( 4.624 4.547 -0.850) 6.541 3.705 ( 3.578 6.978 -0.889) 7.892 3.764 ( 8.617 7.453 0.134) 11.394 3.809 ( 6.868 8.027 1.511) 10.671 3.870 ( 2.162 3.015 0.941) 3.828 3.920 ( 7.780 6.876 1.547) 10.497 3.927 ( 7.617 5.051 -0.649) 9.163 3.942 ( 7.847 7.512 0.056) 10.863 4.021 ( 5.053 2.364 -0.189) 5.581 4.070 ( 3.923 2.399 3.462) 5.756 4.085 ( 7.695 5.312 2.161) 9.597 4.148 ( 2.430 -1.626 -1.739) 3.402 4.187 ( 2.061 -0.333 -3.830) 4.362 4.240 ( 0.064 0.800 1.602) 1.792 4.304 ( -3.812 -1.827 -1.373) 4.445 4.335 ( -3.830 -0.259 -1.517) 4.127 4.366 ( -0.017 1.930 2.053) 2.818 4.413 ( -0.768 -2.393 -0.769) 2.628 4.486 ( -2.227 -1.575 0.555) 2.783 4.505 ( -1.709 -2.379 -1.605) 3.340 4.582 ( -4.575 0.741 0.195) 4.639 4.594 ( 1.273 -1.546 -0.465) 2.056 4.619 ( -0.054 -2.330 0.661) 2.422 4.670 ( -2.282 3.323 -0.213) 4.037 4.689 ( -3.201 2.601 -0.852) 4.211 4.724 ( -3.386 0.446 1.626) 3.783 4.770 ( -4.407 0.136 0.038) 4.409 4.828 ( -2.569 2.978 1.243) 4.125 4.846 ( -0.109 0.608 0.925) 1.112 4.870 ( -2.192 -1.098 -2.885) 3.786 4.921 ( 0.046 1.200 -0.315) 1.242 5.003 ( -0.527 1.654 1.009) 2.008 5.250 ( 8.259 -0.670 1.001) 8.347 5.307 ( 5.029 -1.522 -2.242) 5.712 5.444 ( 1.270 1.676 2.721) 3.438 5.473 ( 6.703 6.655 -0.622) 9.466 5.551 ( 8.006 2.666 0.611) 8.460 5.647 ( 6.459 4.224 -1.025) 7.786 5.822 ( -1.930 -7.059 0.608) 7.343 5.877 ( -1.700 -2.334 0.260) 2.899 5.917 ( -3.423 -9.805 -0.093) 10.386 6.004 ( -3.546 -9.992 -1.842) 10.761 6.148 ( -4.612 0.189 -5.472) 7.159 6.208 ( -7.394 -1.292 6.760) 10.101 6.539 ( -3.983 -7.487 -3.261) 9.086 6.603 ( -3.159 -7.220 3.052) 8.451 6.743 ( 0.048 3.213 1.587) 3.584 6.818 ( -3.137 2.179 -1.397) 4.067 6.934 ( 0.324 -0.581 0.917) 1.133 7.004 ( -0.777 -4.092 -2.600) 4.910 7.148 ( 6.137 3.378 3.211) 7.706 7.198 ( 4.510 3.264 6.380) 8.467 7.256 ( -4.231 3.702 -4.817) 7.403 7.355 ( 1.444 1.779 -2.910) 3.704 7.412 ( -0.606 3.543 -3.668) 5.135 7.523 ( 0.209 2.104 -3.523) 4.109 7.628 ( 2.908 1.065 1.219) 3.328 7.790 ( 3.182 2.501 11.232) 11.939 7.934 ( -1.247 -2.485 -2.241) 3.571 8.053 ( 7.697 -0.991 -2.847) 8.266 8.144 ( 6.886 -1.251 -4.129) 8.126 8.252 ( 6.514 -4.213 3.917) 8.690 8.689 ( 0.987 9.764 -6.258) 11.639 8.789 ( -1.555 0.341 7.092) 7.268 8.947 ( 0.838 1.873 0.078) 2.054 8.988 ( -2.593 -2.195 0.202) 3.403 9.036 ( -1.119 1.184 1.425) 2.164 9.118 ( 0.222 7.605 -4.575) 8.878 9.258 ( 2.575 4.210 -1.212) 5.082 9.298 ( -0.633 -0.577 3.283) 3.393 9.523 ( 1.907 6.251 -7.063) 9.623 9.744 ( -5.036 -9.091 8.829) 13.637 10.247 ( 0.880 -3.295 3.067) 4.587 10.346 ( -3.405 -2.718 0.649) 4.405 10.377 ( 13.383 2.637 -2.915) 13.948 10.472 ( 3.853 -1.360 -10.449) 11.220 10.725 ( 2.114 8.538 4.496) 9.878 10.801 ( 4.603 4.165 2.886) 6.846 10.867 ( -8.598 -2.443 1.702) 9.099 10.912 ( -8.667 -0.979 3.334) 9.337 11.149 ( 0.299 -8.425 -1.313) 8.532 11.218 ( -2.031 -8.696 -6.008) 10.763 11.375 ( -8.736 -11.201 0.648) 14.220 11.431 ( -6.060 -10.646 -0.239) 12.252 11.609 ( -11.408 -5.061 2.939) 12.822 11.644 ( -10.378 -6.304 1.689) 12.259 11.697 ( -7.238 -8.894 -2.933) 11.836 11.727 ( -6.717 -4.170 -0.567) 7.927 12.087 ( -11.358 -9.007 0.264) 14.498 12.106 ( -11.251 -9.239 -0.035) 14.558 12.344 ( -2.250 0.425 2.163) 3.150 12.485 ( 0.351 -1.662 -2.645) 3.144 12.535 ( -2.961 -4.769 0.376) 5.626 12.642 ( -0.722 -5.491 0.439) 5.555 13.120 ( 2.190 0.963 0.079) 2.394 13.124 ( 2.161 0.797 -0.079) 2.305 15.753 ( -7.024 -6.206 1.110) 9.438 15.767 ( -6.771 -6.881 -0.973) 9.702 16.283 ( -19.253 3.057 3.449) 19.797 16.316 ( -20.269 2.439 -4.003) 20.804 17.561 ( 17.096 -23.680 -1.092) 29.227 17.651 ( 16.671 -24.152 1.514) 29.386 17.837 ( 1.779 -6.142 1.064) 6.482 17.873 ( 3.151 -3.831 -0.387) 4.975 18.415 ( -4.636 -14.826 -1.875) 15.647 18.433 ( -2.242 -12.879 1.265) 13.133 19.646 ( -13.798 16.981 -2.177) 21.988 19.691 ( -11.238 10.034 2.185) 15.223 19.968 ( 0.547 -9.479 1.694) 9.645 20.106 ( 4.651 5.731 6.070) 9.556 20.112 ( -2.047 -0.055 -7.214) 7.499 20.324 ( 1.074 4.383 -0.212) 4.517 20.543 ( -1.150 4.982 -6.368) 8.167 20.616 ( -0.297 3.426 6.522) 7.373 20.994 ( -10.380 22.761 -5.526) 25.619 21.280 ( -23.033 14.429 6.921) 28.047 22.304 ( 30.593 3.788 -3.028) 30.975 22.538 ( 17.048 -6.020 -5.090) 18.782 22.881 ( 3.867 13.294 20.351) 24.613 23.221 ( 11.912 3.839 -23.420) 26.555 23.760 ( -13.046 -4.761 16.280) 21.399 24.106 ( 0.373 -9.527 -9.504) 13.462 24.641 ( -13.204 -9.840 8.778) 18.660 24.799 ( -7.821 -12.011 -8.908) 16.876 25.070 ( -7.692 -9.916 6.178) 13.988 25.136 ( -6.270 -11.067 -3.588) 13.216 ======================= Grid point 139 (24/28) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 1.131 5.518 0.541) 5.658 2.149 ( -4.847 4.589 -2.474) 7.119 2.494 ( 12.295 3.952 4.050) 13.534 2.583 ( 4.660 2.128 -1.087) 5.237 2.745 ( 3.369 0.825 -2.061) 4.035 2.782 ( 2.737 -2.939 -0.293) 4.027 2.931 ( -3.969 14.022 4.729) 15.321 3.038 ( -9.421 7.891 -2.608) 12.563 3.241 ( 0.310 7.432 -3.607) 8.267 3.284 ( -4.572 5.134 6.579) 9.515 3.423 ( 7.113 1.842 -5.634) 9.258 3.479 ( 0.121 0.407 2.547) 2.582 3.552 ( 2.731 4.553 -8.794) 10.273 3.577 ( 1.330 4.325 4.279) 6.228 3.631 ( 0.705 -0.313 0.049) 0.773 3.700 ( -3.501 -0.366 2.511) 4.324 3.828 ( 3.827 5.188 0.320) 6.455 3.847 ( 4.940 4.295 -1.526) 6.722 3.858 ( 5.715 6.176 2.033) 8.656 3.891 ( 4.887 5.980 1.357) 7.842 3.937 ( 9.501 5.230 -0.756) 10.872 3.990 ( 2.639 2.730 -0.007) 3.797 4.035 ( 2.417 3.170 -0.929) 4.093 4.041 ( 3.904 -0.054 0.682) 3.964 4.104 ( 2.466 1.415 0.441) 2.877 4.107 ( -0.505 -0.847 -0.459) 1.088 4.126 ( 0.026 1.778 2.972) 3.463 4.152 ( 5.651 2.023 -0.582) 6.030 4.174 ( 1.403 0.285 0.017) 1.432 4.199 ( 0.798 0.941 -1.778) 2.164 4.214 ( 0.604 1.984 -0.085) 2.076 4.236 ( -4.865 0.633 -0.109) 4.907 4.257 ( 1.717 4.641 1.251) 5.104 4.284 ( 5.413 5.237 -0.783) 7.572 4.313 ( -0.038 0.507 -1.324) 1.418 4.368 ( -3.497 -0.564 0.940) 3.665 4.432 ( -1.847 -1.154 1.258) 2.514 4.469 ( -3.792 -2.267 -1.587) 4.694 4.502 ( -4.251 -1.509 -0.125) 4.513 4.506 ( -4.493 1.355 -1.239) 4.854 4.585 ( -1.563 1.160 1.391) 2.392 4.633 ( -4.928 3.362 -1.231) 6.091 4.676 ( -3.103 0.721 0.623) 3.246 4.705 ( -2.829 0.568 1.325) 3.175 4.779 ( 2.107 2.751 0.068) 3.466 4.805 ( -1.061 2.450 -1.662) 3.145 4.816 ( -1.897 1.290 0.547) 2.359 4.859 ( -2.207 0.441 0.085) 2.252 4.985 ( 2.424 3.060 -2.743) 4.771 5.012 ( -0.266 2.387 2.456) 3.436 5.349 ( 2.995 -2.811 -0.645) 4.158 5.377 ( 2.598 -2.411 1.303) 3.777 5.487 ( 2.774 2.660 0.628) 3.894 5.572 ( -3.125 -0.427 -0.447) 3.186 5.692 ( 4.386 -3.511 -0.729) 5.666 5.735 ( 6.758 2.797 1.041) 7.387 5.743 ( 3.564 -6.151 0.671) 7.141 5.882 ( 0.922 -5.396 -1.984) 5.823 5.934 ( 4.204 0.401 -0.707) 4.282 5.984 ( 11.695 2.120 -1.138) 11.940 6.047 ( -5.092 -2.235 3.403) 6.520 6.154 ( 3.324 2.254 -3.614) 5.402 6.302 ( -10.107 -8.868 2.021) 13.597 6.352 ( -12.388 -9.281 1.352) 15.538 6.740 ( 1.695 -2.480 -2.243) 3.750 6.795 ( -1.665 -3.819 2.669) 4.947 6.996 ( 5.337 2.591 -1.638) 6.155 7.042 ( 2.671 4.263 -1.854) 5.362 7.189 ( -3.808 -0.249 10.036) 10.737 7.210 ( -6.205 3.726 -7.294) 10.276 7.271 ( 2.173 4.267 4.204) 6.372 7.332 ( -4.270 1.638 -5.345) 7.035 7.536 ( 5.679 3.613 6.658) 9.468 7.581 ( 2.560 -0.075 -7.607) 8.027 7.694 ( 3.269 1.793 0.741) 3.802 7.794 ( -4.920 -1.044 -3.283) 6.006 8.000 ( 9.880 2.086 9.507) 13.869 8.152 ( 0.312 -4.143 -5.141) 6.610 8.218 ( 5.139 -0.463 -2.604) 5.779 8.275 ( 1.365 -2.515 2.189) 3.603 8.669 ( -2.393 -2.194 5.786) 6.635 8.749 ( -7.587 -2.757 -7.614) 11.097 8.869 ( 4.456 0.970 -0.360) 4.574 8.983 ( -1.803 -2.205 3.233) 4.309 9.138 ( 4.512 4.688 2.466) 6.958 9.174 ( -1.562 4.778 -3.030) 5.870 9.249 ( -1.927 1.137 -0.601) 2.317 9.289 ( -2.347 -0.141 -0.158) 2.357 9.555 ( 0.066 -0.640 -2.177) 2.270 9.588 ( -2.309 -4.770 2.651) 5.926 10.251 ( 0.459 1.639 1.567) 2.313 10.289 ( -1.183 -2.226 -1.307) 2.839 10.529 ( 6.396 0.644 -0.947) 6.498 10.637 ( -3.894 2.772 2.112) 5.226 10.732 ( 10.066 -0.723 -2.549) 10.408 10.827 ( -0.233 -1.124 3.004) 3.216 10.913 ( 4.192 6.412 -2.524) 8.066 10.965 ( 3.846 6.418 1.043) 7.555 11.079 ( -2.032 -6.910 1.766) 7.416 11.114 ( -3.381 -6.584 -2.880) 7.943 11.177 ( 0.851 -3.069 0.261) 3.195 11.268 ( -2.866 -8.277 -2.330) 9.064 11.339 ( -5.000 -7.385 2.725) 9.325 11.413 ( -7.481 -7.124 1.132) 10.392 11.571 ( -1.776 1.815 -2.199) 3.359 11.621 ( -5.197 2.762 1.123) 5.992 11.825 ( -7.075 -5.277 -0.459) 8.838 11.845 ( -7.988 -5.004 0.411) 9.435 12.345 ( 2.088 -0.044 -1.280) 2.450 12.413 ( -2.986 -3.983 3.534) 6.105 12.515 ( 3.141 -2.252 -4.170) 5.686 12.569 ( -0.929 -5.253 1.970) 5.687 13.150 ( 1.128 -0.570 0.019) 1.264 13.152 ( 1.021 -0.647 -0.019) 1.209 15.634 ( -5.157 3.730 0.538) 6.387 15.642 ( -5.767 3.568 -0.586) 6.807 16.075 ( -6.156 0.971 5.449) 8.279 16.087 ( -7.157 0.447 -5.542) 9.063 17.617 ( 17.135 -24.463 0.993) 29.884 17.661 ( 14.423 -27.560 -0.440) 31.110 17.850 ( 3.706 -0.569 1.330) 3.978 17.899 ( 1.344 -1.792 -1.032) 2.467 18.189 ( 1.820 -16.297 -3.710) 16.813 18.234 ( 0.081 -17.686 2.911) 17.925 19.578 ( -11.411 16.579 2.015) 20.227 19.606 ( -14.781 18.308 -2.782) 23.694 19.938 ( 4.050 -2.088 8.306) 9.474 20.026 ( -5.350 -0.708 -9.733) 11.129 20.264 ( 4.761 4.811 7.084) 9.798 20.351 ( -2.835 2.019 -5.332) 6.367 20.560 ( -2.659 6.928 -2.659) 7.882 20.599 ( -6.134 6.460 3.297) 9.499 21.055 ( -6.061 16.677 -2.710) 17.949 21.123 ( -13.157 14.371 2.642) 19.663 22.652 ( 9.338 -3.991 0.218) 10.158 22.666 ( 7.347 -4.350 -0.173) 8.540 23.225 ( 11.459 13.279 3.127) 17.817 23.453 ( -3.355 -0.459 -4.934) 5.985 23.641 ( 11.373 6.497 -0.487) 13.106 23.972 ( -7.274 -11.123 3.038) 13.633 24.377 ( -2.516 -4.954 0.323) 5.566 24.502 ( -9.154 -11.429 -1.681) 14.740 24.932 ( 1.544 -7.364 3.128) 8.149 24.964 ( -0.871 -9.167 -2.594) 9.567 ======================= Grid point 155 (25/28) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.912 13.493 -8.337) 16.604 2.012 ( 9.229 11.000 8.337) 16.604 2.351 ( 2.618 7.019 -12.825) 14.853 2.351 ( 4.770 5.777 12.825) 14.853 2.544 ( 2.734 7.500 -1.860) 8.197 2.544 ( 5.129 6.117 1.860) 8.197 2.887 ( 6.058 13.629 -3.717) 15.371 2.887 ( 8.774 12.061 3.717) 15.371 3.171 ( 13.483 10.639 -7.636) 18.796 3.171 ( 2.472 16.996 7.636) 18.796 3.374 ( 8.504 12.505 -3.434) 15.508 3.374 ( 6.578 13.617 3.434) 15.508 3.388 ( 2.138 10.472 -5.940) 12.228 3.388 ( 8.000 7.087 5.940) 12.228 3.532 ( 9.927 17.070 -1.105) 19.777 3.532 ( 9.820 17.132 1.105) 19.777 3.635 ( -0.231 9.104 -5.165) 10.469 3.635 ( 7.999 4.352 5.165) 10.469 3.701 ( 4.504 8.426 -0.958) 9.602 3.701 ( 5.045 8.113 0.958) 9.602 3.757 ( 7.140 5.634 -0.315) 9.100 3.757 ( 1.309 9.000 0.315) 9.100 3.878 ( 3.873 7.918 -2.296) 9.108 3.878 ( 4.920 7.313 2.296) 9.108 3.923 ( 3.865 6.439 -2.510) 7.918 3.923 ( 3.644 6.567 2.510) 7.918 3.978 ( 2.665 5.927 -0.303) 6.505 3.978 ( 3.800 5.272 0.303) 6.505 4.072 ( 4.185 3.634 -2.931) 6.270 4.072 ( 1.055 5.441 2.931) 6.270 4.215 ( -0.915 3.959 -3.662) 5.470 4.215 ( 3.886 1.187 3.662) 5.470 4.341 ( 0.791 -1.324 -3.395) 3.728 4.341 ( -1.542 0.023 3.395) 3.728 4.405 ( -2.297 -2.014 -2.011) 3.657 4.405 ( -0.596 -2.996 2.011) 3.657 4.503 ( -2.224 -1.268 -0.633) 2.638 4.503 ( 0.014 -2.561 0.633) 2.638 4.569 ( -0.750 -1.807 -0.824) 2.123 4.569 ( -1.190 -1.553 0.824) 2.123 4.680 ( 1.637 -1.970 -2.405) 3.513 4.680 ( -2.525 0.433 2.405) 3.513 4.774 ( -2.380 -0.926 -2.135) 3.329 4.774 ( 0.388 -2.524 2.135) 3.329 4.828 ( 3.758 -0.434 -2.232) 4.392 4.828 ( -2.255 3.037 2.232) 4.392 4.869 ( 1.530 1.019 -2.966) 3.489 4.869 ( 0.118 1.835 2.966) 3.489 4.987 ( 4.642 0.669 -2.251) 5.202 4.987 ( -1.742 4.354 2.251) 5.202 5.199 ( 3.312 -2.030 -3.736) 5.390 5.199 ( -3.414 1.854 3.736) 5.390 5.456 ( 1.307 5.851 -1.829) 6.268 5.456 ( 4.414 4.057 1.829) 6.268 5.511 ( 6.265 2.347 -1.719) 6.907 5.511 ( -1.100 6.599 1.719) 6.907 5.846 ( -7.636 -7.616 -1.049) 10.836 5.846 ( -2.778 -10.421 1.049) 10.836 5.939 ( -1.445 -8.964 -0.845) 9.119 5.939 ( -7.041 -5.733 0.845) 9.119 6.258 ( -4.407 -1.721 -3.682) 5.995 6.258 ( 0.713 -4.678 3.682) 5.995 6.538 ( -4.988 -3.844 -5.753) 8.530 6.538 ( -0.835 -6.242 5.753) 8.530 6.810 ( 4.541 0.079 -3.619) 5.807 6.810 ( -2.202 3.972 3.619) 5.807 6.952 ( -2.824 -5.824 -7.483) 9.894 6.952 ( -3.632 -5.357 7.483) 9.894 7.154 ( 3.995 9.194 -5.084) 11.240 7.154 ( 5.965 8.057 5.084) 11.240 7.328 ( 1.117 0.466 -4.462) 4.623 7.328 ( -0.155 1.200 4.462) 4.623 7.500 ( -2.575 1.938 -2.164) 3.882 7.500 ( 2.966 -1.261 2.164) 3.882 7.683 ( -1.364 2.727 -4.943) 5.808 7.683 ( 3.044 0.183 4.943) 5.808 7.934 ( 6.921 -0.620 -8.435) 10.928 7.934 ( -3.998 5.684 8.435) 10.928 8.127 ( -3.119 3.795 -8.173) 9.535 8.127 ( 4.846 -0.804 8.173) 9.535 8.763 ( 0.155 5.632 -6.075) 8.285 8.763 ( 4.800 2.950 6.075) 8.285 8.976 ( -1.569 0.609 -1.589) 2.315 8.976 ( 1.312 -1.054 1.589) 2.315 9.103 ( 4.304 -0.548 -2.244) 4.884 9.103 ( -2.627 3.453 2.244) 4.884 9.293 ( 0.667 5.801 -4.893) 7.618 9.293 ( 4.690 3.478 4.893) 7.618 9.641 ( -8.246 2.586 -10.628) 13.698 9.641 ( 6.363 -5.848 10.628) 13.698 10.235 ( 3.498 1.183 -5.509) 6.632 10.235 ( -0.725 3.621 5.509) 6.632 10.399 ( 0.188 -5.251 -8.114) 9.667 10.399 ( -4.641 -2.463 8.114) 9.667 10.761 ( 3.652 8.187 -1.059) 9.027 10.761 ( 5.264 7.256 1.059) 9.027 11.004 ( -0.689 -9.344 -5.945) 11.096 11.004 ( -7.747 -5.268 5.945) 11.096 11.105 ( -1.902 -9.388 -5.142) 10.871 11.105 ( -7.179 -6.341 5.142) 10.871 11.415 ( -5.870 -13.434 -1.964) 14.792 11.415 ( -8.699 -11.801 1.964) 14.792 11.700 ( -5.729 -12.571 -2.949) 14.126 11.700 ( -8.023 -11.247 2.949) 14.126 11.739 ( -1.072 -7.092 -3.885) 8.157 11.739 ( -5.606 -4.474 3.885) 8.157 12.150 ( -6.224 -11.532 -0.993) 13.142 12.150 ( -6.875 -11.156 0.993) 13.142 12.424 ( 2.536 -4.412 -4.982) 7.122 12.424 ( -5.089 -0.009 4.982) 7.122 12.576 ( -0.349 -6.666 -1.493) 6.840 12.576 ( -5.598 -3.636 1.493) 6.840 13.105 ( 1.049 1.776 -0.295) 2.084 13.105 ( 1.014 1.797 0.295) 2.084 15.781 ( -3.734 -6.541 -3.842) 8.455 15.781 ( -3.797 -6.504 3.842) 8.455 16.689 ( -7.111 -9.431 -1.639) 11.924 16.689 ( -4.611 -10.874 1.639) 11.924 17.093 ( -13.091 -10.630 -7.423) 18.425 17.093 ( -2.660 -16.652 7.423) 18.425 17.822 ( -0.255 -1.394 -1.194) 1.853 17.822 ( -1.080 -0.918 1.194) 1.853 18.400 ( -6.640 -10.779 -3.031) 13.017 18.400 ( -6.015 -11.140 3.031) 13.017 19.832 ( -0.076 -3.727 -1.048) 3.873 19.832 ( -3.190 -1.929 1.048) 3.873 19.974 ( -2.852 9.275 -6.789) 11.843 19.974 ( 9.459 2.168 6.789) 11.843 20.289 ( -3.524 6.286 -6.285) 9.562 20.289 ( 7.206 0.091 6.285) 9.562 20.576 ( 0.956 5.232 -8.861) 10.335 20.576 ( 4.053 3.444 8.861) 10.335 21.602 ( 30.527 -4.247 -7.179) 31.646 21.602 ( -18.942 24.314 7.179) 31.646 22.024 ( 27.472 -4.193 -13.723) 30.994 22.024 ( -17.367 21.695 13.723) 30.994 23.033 ( 12.629 2.832 -24.859) 28.027 23.033 ( -3.862 12.353 24.859) 28.027 23.951 ( 2.761 -13.369 -13.292) 19.053 23.951 ( -12.958 -4.293 13.292) 19.053 24.755 ( -3.508 -14.830 -9.142) 17.771 24.755 ( -11.089 -10.453 9.142) 17.771 25.111 ( -6.234 -14.647 -4.666) 16.588 25.111 ( -9.567 -12.722 4.666) 16.588 ======================= Grid point 157 (26/28) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.020 11.313 -1.977) 11.485 2.294 ( 4.536 5.142 5.819) 8.993 2.357 ( 0.898 9.094 -3.863) 9.921 2.518 ( 6.590 1.314 -1.074) 6.805 2.674 ( 4.421 1.002 1.956) 4.938 2.683 ( 5.108 0.993 -1.272) 5.356 3.100 ( 2.685 13.919 1.713) 14.279 3.166 ( 7.454 9.724 0.006) 12.252 3.330 ( -1.436 11.335 5.282) 12.588 3.409 ( 0.236 7.105 -5.561) 9.026 3.425 ( -1.894 5.838 -5.050) 7.948 3.509 ( 1.929 3.139 7.048) 7.953 3.552 ( 0.600 3.131 -4.686) 5.668 3.583 ( 2.549 3.946 1.814) 5.036 3.641 ( -1.860 1.359 -3.286) 4.013 3.685 ( 4.876 1.014 -0.329) 4.992 3.781 ( 5.307 4.369 0.762) 6.916 3.792 ( 5.909 2.140 -0.712) 6.324 3.839 ( -0.533 3.011 3.687) 4.790 3.887 ( 4.610 5.585 -0.348) 7.250 3.907 ( 1.618 11.148 0.112) 11.265 3.972 ( 5.343 6.377 0.030) 8.320 3.977 ( 4.401 3.292 1.335) 5.656 4.021 ( 4.942 6.742 -0.567) 8.378 4.035 ( 5.055 0.978 -1.125) 5.270 4.065 ( 6.521 4.146 0.975) 7.789 4.094 ( 4.790 7.339 -0.455) 8.776 4.110 ( 4.983 5.114 1.087) 7.222 4.174 ( 0.644 5.252 -0.851) 5.359 4.205 ( 3.035 4.573 0.564) 5.517 4.240 ( -1.889 0.185 -0.529) 1.970 4.263 ( -0.848 1.241 2.335) 2.777 4.290 ( 0.559 1.881 -3.328) 3.863 4.323 ( -0.935 -1.543 -0.238) 1.820 4.359 ( -3.897 1.592 0.743) 4.274 4.397 ( 0.372 1.385 1.589) 2.140 4.454 ( -0.147 -2.162 -3.236) 3.895 4.475 ( -1.328 -0.384 0.379) 1.433 4.534 ( -1.143 -1.359 1.565) 2.367 4.578 ( 1.128 0.562 0.037) 1.261 4.625 ( -4.530 2.109 -0.631) 5.036 4.690 ( 0.162 -1.405 0.178) 1.425 4.751 ( -1.160 2.648 -0.344) 2.911 4.759 ( -0.621 -0.175 -0.003) 0.645 4.788 ( -4.520 1.486 2.647) 5.445 4.842 ( -1.265 -3.228 -3.497) 4.924 4.896 ( -0.474 2.422 -0.618) 2.545 4.915 ( 0.691 2.407 1.184) 2.770 5.038 ( -1.964 11.731 0.271) 11.898 5.089 ( -2.511 8.589 0.852) 8.989 5.265 ( 8.098 3.670 -1.078) 8.956 5.303 ( 6.369 2.805 0.645) 6.990 5.441 ( -1.747 -1.069 -0.198) 2.057 5.515 ( 1.589 -0.923 1.767) 2.549 5.588 ( 2.889 -8.231 -0.781) 8.758 5.601 ( 3.932 -4.093 -1.284) 5.819 5.725 ( 3.685 -2.057 0.456) 4.245 5.745 ( 3.692 -6.789 -0.426) 7.740 5.840 ( -0.562 0.632 2.528) 2.665 5.879 ( 2.749 0.389 -2.339) 3.630 6.148 ( -6.379 -1.682 -2.444) 7.035 6.177 ( -3.929 -1.604 2.575) 4.964 6.359 ( -7.205 -9.837 -0.128) 12.194 6.397 ( -5.108 -12.540 0.519) 13.551 6.713 ( -4.397 -4.975 -2.626) 7.140 6.779 ( -1.736 -8.355 4.770) 9.776 6.942 ( 2.954 5.951 -1.354) 6.781 7.003 ( 5.797 3.156 -2.310) 6.993 7.250 ( -4.141 0.667 0.625) 4.241 7.318 ( 2.054 10.028 5.600) 11.668 7.331 ( -2.099 -1.654 -2.822) 3.887 7.397 ( 7.408 6.707 2.444) 10.288 7.505 ( -0.776 8.042 -6.224) 10.199 7.571 ( -0.566 2.721 -3.244) 4.272 7.660 ( 0.786 2.334 0.849) 2.605 7.820 ( 9.539 -1.293 6.704) 11.731 7.898 ( -4.916 0.320 0.124) 4.928 8.033 ( 6.037 -3.837 -0.763) 7.193 8.163 ( 2.159 2.432 -2.665) 4.205 8.194 ( 5.149 1.301 0.067) 5.311 8.706 ( -7.293 -7.012 1.884) 10.291 8.774 ( -3.112 -11.691 -0.467) 12.107 8.895 ( -1.962 5.964 -5.466) 8.325 8.959 ( 2.562 0.529 4.672) 5.355 9.149 ( -0.282 4.490 4.583) 6.422 9.220 ( 4.643 1.468 -6.227) 7.904 9.285 ( -6.144 -1.161 0.029) 6.253 9.332 ( -0.659 0.515 1.220) 1.479 9.564 ( -1.103 -1.121 -0.180) 1.583 9.571 ( -1.560 -4.335 0.732) 4.665 10.296 ( -1.957 5.071 4.361) 6.969 10.301 ( -2.727 -0.373 -2.558) 3.758 10.411 ( 7.050 2.491 -0.669) 7.507 10.491 ( 15.336 5.261 -4.577) 16.847 10.800 ( -9.152 -0.766 7.074) 11.592 10.877 ( -4.171 0.989 1.361) 4.497 10.904 ( 1.907 0.303 -2.846) 3.439 10.944 ( 4.164 3.203 0.753) 5.307 11.016 ( 2.069 -1.929 -1.203) 3.074 11.045 ( 1.908 -6.059 -1.048) 6.438 11.157 ( -6.081 -9.419 -0.987) 11.255 11.194 ( -2.982 -11.105 -1.561) 11.604 11.419 ( -9.707 -9.383 3.603) 13.973 11.460 ( -6.093 -10.556 -2.136) 12.374 11.632 ( -4.011 0.653 3.028) 5.068 11.681 ( -0.783 -1.409 -3.043) 3.443 11.908 ( -8.529 -8.276 0.073) 11.885 11.923 ( -7.212 -8.529 0.022) 11.170 12.344 ( -2.762 -0.409 1.658) 3.247 12.421 ( 1.323 -5.370 -2.739) 6.172 12.437 ( -3.303 -3.278 0.631) 4.696 12.505 ( 0.342 -7.351 0.599) 7.383 13.127 ( 0.738 -0.130 -0.046) 0.751 13.128 ( 0.779 -0.231 0.047) 0.813 15.741 ( -0.400 5.135 -1.674) 5.416 15.748 ( 0.110 4.883 1.732) 5.182 16.332 ( -21.113 1.458 2.216) 21.279 16.353 ( -21.586 0.785 -2.488) 21.743 16.970 ( 16.789 -30.101 -2.720) 34.574 17.006 ( 16.852 -32.609 3.115) 36.838 17.816 ( 0.809 1.364 0.978) 1.863 17.843 ( 2.661 -0.289 -0.640) 2.753 18.144 ( -7.124 -10.992 -4.011) 13.699 18.164 ( -5.504 -11.991 3.400) 13.625 19.692 ( -3.555 -4.356 -0.157) 5.625 19.736 ( -1.842 -9.380 0.605) 9.578 20.070 ( -3.185 16.857 -1.271) 17.202 20.218 ( 7.471 5.796 5.636) 11.008 20.253 ( -7.126 8.654 -4.665) 12.142 20.379 ( 3.010 1.449 0.856) 3.449 20.620 ( -0.568 2.437 -6.771) 7.219 20.655 ( 1.516 0.581 5.509) 5.743 21.542 ( -17.302 27.533 1.228) 32.541 21.656 ( -18.882 19.918 -0.633) 27.453 22.302 ( 22.596 -2.130 0.805) 22.710 22.378 ( 18.394 -7.442 -1.347) 19.888 23.223 ( 5.888 16.833 9.143) 20.040 23.344 ( 13.296 7.356 -13.033) 20.019 23.711 ( -9.587 -0.160 8.833) 13.037 23.883 ( 2.457 -11.232 -5.272) 12.649 24.440 ( -10.847 -8.691 4.689) 14.669 24.517 ( -6.401 -13.778 -4.802) 15.933 24.840 ( -4.637 -12.635 3.502) 13.908 24.870 ( -3.376 -14.528 -2.760) 15.168 ======================= Grid point 159 (27/28) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -5.899 7.566 -5.246) 10.935 2.259 ( -3.603 8.892 5.246) 10.935 2.554 ( -3.859 -3.744 -0.804) 5.437 2.554 ( 5.172 1.471 0.804) 5.437 2.715 ( 2.017 -3.921 -6.706) 8.026 2.715 ( 2.388 -3.707 6.706) 8.026 3.245 ( -10.582 10.378 -3.090) 15.140 3.245 ( -3.697 14.353 3.090) 15.140 3.387 ( -0.876 4.456 -1.870) 4.911 3.387 ( -3.420 2.987 1.870) 4.911 3.477 ( -0.220 4.632 -6.662) 8.117 3.477 ( -3.901 2.506 6.662) 8.117 3.608 ( 2.062 0.492 -2.971) 3.650 3.608 ( -1.457 -1.540 2.971) 3.650 3.669 ( -2.526 -0.002 -3.516) 4.329 3.669 ( 1.264 2.186 3.516) 4.329 3.857 ( -0.244 -4.035 -4.962) 6.400 3.857 ( 3.616 -1.806 4.962) 6.400 3.935 ( -1.037 -3.518 -0.285) 3.679 3.935 ( 3.565 -0.861 0.285) 3.679 3.974 ( -1.704 0.725 -0.504) 1.919 3.974 ( 0.224 1.838 0.504) 1.919 4.077 ( -2.594 0.344 -0.449) 2.655 4.077 ( 0.999 2.419 0.449) 2.655 4.133 ( -3.130 1.804 -2.746) 4.538 4.133 ( 0.003 3.613 2.746) 4.538 4.189 ( -3.399 1.313 -0.424) 3.668 4.189 ( 0.562 3.600 0.424) 3.668 4.222 ( -5.140 -1.165 -1.748) 5.553 4.222 ( 3.579 3.869 1.748) 5.553 4.241 ( -4.244 -0.566 -0.157) 4.284 4.241 ( 2.612 3.392 0.157) 4.284 4.334 ( -2.821 -0.937 -0.462) 3.008 4.334 ( 2.222 1.974 0.462) 3.008 4.385 ( -5.812 -1.301 -0.599) 5.986 4.385 ( 4.032 4.383 0.599) 5.986 4.452 ( -3.318 1.425 -1.120) 3.781 4.452 ( 0.425 3.586 1.120) 3.781 4.524 ( -4.243 1.406 0.161) 4.473 4.524 ( 0.904 4.378 -0.161) 4.473 4.660 ( -6.454 -0.373 -0.904) 6.528 4.660 ( 3.550 5.403 0.904) 6.528 4.708 ( -2.622 -0.752 -0.043) 2.728 4.708 ( 1.962 1.895 0.043) 2.728 4.785 ( -0.068 -3.814 -0.757) 3.889 4.785 ( 3.337 -1.848 0.757) 3.889 4.933 ( -2.231 5.980 -1.442) 6.544 4.933 ( -4.063 4.922 1.442) 6.544 5.115 ( -3.853 7.463 -0.917) 8.449 5.115 ( -4.536 7.068 0.917) 8.449 5.315 ( -0.126 4.380 -2.341) 4.968 5.315 ( -3.730 2.299 2.341) 4.968 5.520 ( 5.864 -9.723 -0.456) 11.363 5.520 ( 5.488 -9.940 0.456) 11.363 5.557 ( -1.114 -2.651 -1.303) 3.157 5.557 ( 2.853 -0.361 1.303) 3.157 5.824 ( 0.041 -0.317 -1.486) 1.520 5.824 ( 0.254 -0.194 1.486) 1.520 5.917 ( -6.262 -9.443 -1.301) 11.405 5.917 ( 11.309 0.702 1.301) 11.405 6.082 ( -7.185 -8.623 -2.978) 11.612 6.082 ( 11.060 1.911 2.978) 11.612 6.196 ( -3.466 -5.754 0.313) 6.724 6.196 ( 6.716 0.125 -0.313) 6.724 6.680 ( 3.099 -2.963 -5.656) 7.098 6.680 ( 1.017 -4.165 5.656) 7.098 7.068 ( -0.919 0.613 -0.262) 1.135 7.068 ( -0.072 1.102 0.262) 1.135 7.219 ( -4.774 -2.096 -1.074) 5.323 7.219 ( 4.202 3.086 1.074) 5.323 7.458 ( -9.772 8.179 -5.293) 13.799 7.458 ( -2.197 12.553 5.293) 13.799 7.569 ( -1.039 0.080 -7.414) 7.487 7.569 ( 0.450 0.940 7.414) 7.487 7.761 ( -7.037 -2.931 -0.426) 7.635 7.761 ( 6.057 4.629 0.426) 7.635 7.989 ( -1.557 -9.706 -6.806) 11.956 7.989 ( 9.184 -3.505 6.806) 11.956 8.261 ( -2.433 0.344 -4.094) 4.775 8.261 ( 0.918 2.279 4.094) 4.775 8.590 ( 1.871 -8.419 -3.489) 9.304 8.590 ( 6.356 -5.830 3.489) 9.304 8.954 ( -0.228 3.690 -4.118) 5.534 8.954 ( -3.082 2.043 4.118) 5.534 9.188 ( -2.940 -1.337 -2.456) 4.057 9.188 ( 2.628 1.878 2.456) 4.057 9.293 ( 3.256 0.022 -5.244) 6.173 9.293 ( -1.647 -2.809 5.244) 6.173 9.548 ( -1.187 1.368 -1.361) 2.266 9.548 ( -0.592 1.712 1.361) 2.266 10.286 ( -0.774 1.377 -7.358) 7.526 10.286 ( -0.805 1.359 7.358) 7.526 10.608 ( -9.215 -2.831 3.981) 10.429 10.608 ( 7.059 6.565 -3.981) 10.429 10.786 ( -6.468 -2.837 1.449) 7.210 10.786 ( 5.691 4.183 -1.449) 7.210 10.946 ( 1.318 -4.661 -0.085) 4.845 10.946 ( 3.377 -3.472 0.085) 4.845 11.002 ( 2.243 -3.005 -6.045) 7.113 11.002 ( 1.481 -3.445 6.045) 7.113 11.104 ( 0.968 -7.952 -2.546) 8.406 11.104 ( 6.403 -4.815 2.546) 8.406 11.308 ( -4.197 -0.288 -2.856) 5.085 11.308 ( 2.348 3.491 2.856) 5.085 11.654 ( -4.807 0.015 0.358) 4.820 11.654 ( 2.390 4.171 -0.358) 4.820 11.766 ( 1.422 -0.976 -0.666) 1.849 11.766 ( 0.134 -1.720 0.666) 1.849 12.339 ( -0.246 -1.842 -0.152) 1.865 12.339 ( 1.719 -0.708 0.152) 1.865 12.448 ( 4.383 -4.131 -2.438) 6.498 12.448 ( 1.386 -5.861 2.438) 6.498 13.133 ( 0.534 -0.914 -0.293) 1.098 13.133 ( 0.525 -0.919 0.293) 1.098 15.809 ( -6.952 11.533 -1.101) 13.511 15.809 ( -6.512 11.787 1.101) 13.511 16.115 ( -2.839 3.317 -4.983) 6.625 16.115 ( -1.453 4.117 4.983) 6.625 16.979 ( 19.685 -32.792 -1.980) 38.298 16.979 ( 18.556 -33.443 1.980) 38.298 17.868 ( -1.276 -0.998 -1.764) 2.395 17.868 ( 1.502 0.606 1.764) 2.395 18.014 ( 3.726 -4.289 -6.541) 8.664 18.014 ( 1.851 -5.372 6.541) 8.664 19.650 ( 1.310 -4.439 -0.036) 4.628 19.650 ( 3.189 -3.353 0.036) 4.628 20.166 ( -9.390 8.645 -2.464) 13.000 20.166 ( -2.792 12.455 2.464) 13.000 20.387 ( -5.752 2.819 -3.443) 7.272 20.387 ( 0.435 6.391 3.443) 7.272 20.641 ( 0.739 0.398 -6.555) 6.609 20.641 ( -0.714 -0.441 6.555) 6.609 21.558 ( -16.925 26.677 -2.917) 31.728 21.558 ( -14.641 27.996 2.917) 31.728 22.509 ( 6.170 -11.025 -2.455) 12.870 22.509 ( 6.463 -10.855 2.455) 12.870 23.450 ( -6.484 0.895 -5.780) 8.733 23.450 ( 2.467 6.063 5.780) 8.733 23.745 ( -5.071 -7.401 -1.407) 9.081 23.745 ( 8.945 0.691 1.407) 9.081 24.320 ( -2.203 -3.576 0.444) 4.224 24.320 ( 4.199 0.120 -0.444) 4.224 24.740 ( 5.517 -11.845 -1.698) 13.177 24.740 ( 7.500 -10.700 1.698) 13.177 ======================= Grid point 179 (28/28) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 1.376 6.201 -9.017) 11.029 2.389 ( 4.682 4.292 9.017) 11.029 2.517 ( 0.940 5.133 -12.962) 13.973 2.517 ( 3.975 3.380 12.962) 13.973 2.654 ( -1.724 -4.206 -7.567) 8.828 2.654 ( -2.780 -3.596 7.567) 8.828 3.358 ( 6.828 8.126 -2.512) 10.907 3.358 ( 3.623 9.976 2.512) 10.907 3.472 ( 0.968 1.063 -2.161) 2.596 3.472 ( 0.437 1.370 2.161) 2.596 3.510 ( -4.095 -2.186 -1.598) 4.909 3.510 ( 0.154 -4.639 1.598) 4.909 3.613 ( 1.294 6.613 -9.493) 11.641 3.613 ( 5.080 4.427 9.493) 11.642 3.691 ( -0.176 1.092 -4.177) 4.321 3.691 ( 1.034 0.394 4.177) 4.321 3.772 ( 0.195 -5.293 -7.808) 9.435 3.772 ( -4.681 -2.478 7.808) 9.435 3.919 ( 1.990 4.268 -0.988) 4.811 3.919 ( 2.701 3.857 0.988) 4.811 3.996 ( -0.807 -0.801 -0.410) 1.208 3.996 ( -0.290 -1.099 0.410) 1.208 4.081 ( 1.728 1.148 -0.691) 2.186 4.081 ( 0.130 2.070 0.691) 2.186 4.170 ( 1.958 1.275 -2.123) 3.157 4.170 ( 0.126 2.333 2.123) 3.157 4.202 ( 4.391 5.419 -0.793) 7.020 4.202 ( 2.498 6.512 0.793) 7.020 4.227 ( 0.008 -0.390 -2.758) 2.786 4.227 ( -0.342 -0.188 2.758) 2.786 4.277 ( 0.121 1.738 -1.231) 2.133 4.277 ( 1.444 0.974 1.231) 2.133 4.327 ( 0.785 -0.478 -0.227) 0.947 4.327 ( -0.806 0.441 0.227) 0.947 4.396 ( 0.867 -0.189 -2.453) 2.608 4.396 ( -0.597 0.656 2.453) 2.608 4.474 ( 3.343 2.294 -1.058) 4.190 4.474 ( 0.315 4.042 1.058) 4.190 4.587 ( -0.923 1.048 -0.872) 1.646 4.587 ( 1.369 -0.276 0.872) 1.646 4.666 ( -0.287 -1.707 -1.591) 2.351 4.666 ( -1.335 -1.102 1.591) 2.351 4.718 ( 1.450 -0.919 -1.293) 2.149 4.718 ( -1.521 0.797 1.293) 2.149 4.851 ( 2.877 -3.254 -2.497) 5.010 4.851 ( -4.256 0.865 2.497) 5.010 4.868 ( -1.040 1.907 -2.162) 3.065 4.868 ( 2.172 0.053 2.162) 3.065 5.276 ( 3.913 4.213 -2.001) 6.088 5.276 ( 1.693 5.495 2.001) 6.088 5.311 ( -0.647 -4.183 -1.345) 4.441 5.311 ( -3.299 -2.652 1.345) 4.441 5.520 ( -0.912 3.497 -0.903) 3.725 5.520 ( 3.484 0.959 0.903) 3.725 5.555 ( 5.194 5.777 -0.630) 7.794 5.555 ( 2.406 7.386 0.630) 7.794 5.655 ( 3.410 1.764 -2.754) 4.724 5.655 ( -0.177 3.835 2.754) 4.724 5.885 ( -5.114 -2.583 -1.091) 5.833 5.885 ( 0.320 -5.721 1.091) 5.833 6.086 ( -0.081 -7.146 -2.065) 7.438 6.086 ( -6.148 -3.643 2.065) 7.438 6.147 ( -4.070 -7.334 -1.468) 8.515 6.147 ( -4.316 -7.191 1.468) 8.515 6.646 ( -1.823 -2.031 -6.579) 7.123 6.646 ( -0.847 -2.594 6.579) 7.123 7.075 ( 2.461 5.749 -0.298) 6.260 7.075 ( 3.748 5.005 0.298) 6.260 7.219 ( -5.066 -4.000 -1.348) 6.595 7.219 ( -0.931 -6.388 1.348) 6.595 7.560 ( 4.374 9.123 -2.907) 10.527 7.560 ( 5.714 8.350 2.907) 10.527 7.655 ( 5.387 3.821 -2.952) 7.234 7.655 ( 0.616 6.575 2.952) 7.234 7.750 ( -8.249 5.887 -3.612) 10.759 7.750 ( 9.223 -4.200 3.612) 10.759 7.877 ( 0.981 -9.690 -1.757) 9.897 7.877 ( -8.883 -3.996 1.757) 9.897 8.274 ( 4.660 6.216 -4.883) 9.176 8.274 ( 3.053 7.144 4.883) 9.176 8.505 ( -6.665 -11.231 -3.157) 13.436 8.505 ( -6.394 -11.387 3.157) 13.436 8.997 ( 0.648 2.687 -2.750) 3.899 8.997 ( 2.003 1.904 2.750) 3.899 9.204 ( 2.567 -1.651 -4.090) 5.103 9.204 ( -2.713 1.398 4.090) 5.103 9.244 ( -4.277 -1.618 -2.923) 5.427 9.244 ( 0.737 -4.513 2.923) 5.427 9.579 ( 1.175 1.347 -2.837) 3.353 9.579 ( 0.579 1.691 2.837) 3.353 10.308 ( -0.433 0.094 -9.877) 9.887 10.308 ( 0.298 -0.328 9.877) 9.887 10.622 ( 3.196 11.510 -0.409) 11.953 10.622 ( 8.370 8.523 0.409) 11.953 10.815 ( 3.949 -6.463 -2.459) 7.963 10.815 ( -7.571 0.189 2.459) 7.963 10.902 ( -1.154 0.744 -1.895) 2.340 10.902 ( 1.221 -0.628 1.895) 2.340 10.943 ( -4.223 -3.979 -5.782) 8.191 10.943 ( -1.335 -5.646 5.782) 8.191 11.023 ( -2.527 -7.526 -3.007) 8.489 11.023 ( -5.254 -5.952 3.007) 8.489 11.343 ( 1.248 -0.033 -4.429) 4.602 11.343 ( -0.653 1.064 4.429) 4.602 11.669 ( 2.579 0.937 -2.224) 3.532 11.669 ( -0.478 2.702 2.224) 3.532 11.764 ( -4.416 -5.476 -1.307) 7.155 11.764 ( -2.535 -6.562 1.307) 7.155 12.338 ( 1.035 -1.827 -1.117) 2.379 12.338 ( -2.100 -0.017 1.117) 2.379 12.376 ( -3.358 -2.417 -1.043) 4.267 12.376 ( -0.415 -4.117 1.043) 4.267 13.122 ( -0.123 -0.208 -0.330) 0.409 13.122 ( -0.118 -0.211 0.330) 0.409 15.954 ( 8.324 15.065 -1.431) 17.272 15.954 ( 8.885 14.742 1.431) 17.272 16.328 ( -2.712 -7.821 -2.612) 8.680 16.328 ( -5.417 -6.259 2.612) 8.680 16.432 ( -11.465 -16.097 -2.345) 19.902 16.432 ( -8.208 -17.978 2.345) 19.902 17.863 ( 1.803 2.503 -3.606) 4.745 17.863 ( 1.266 2.814 3.606) 4.745 17.970 ( -3.997 -6.151 -5.428) 9.125 17.970 ( -3.328 -6.537 5.428) 9.125 19.602 ( -1.917 -3.078 -3.049) 4.738 19.602 ( -1.707 -3.199 3.049) 4.738 20.263 ( -0.264 1.735 -3.370) 3.799 20.263 ( 1.634 0.639 3.370) 3.800 20.465 ( 3.377 8.931 -2.622) 9.901 20.465 ( 6.046 7.390 2.622) 9.901 20.624 ( -2.358 -2.649 -4.553) 5.771 20.624 ( -1.115 -3.366 4.553) 5.771 21.995 ( 8.510 11.112 -2.879) 14.289 21.995 ( 5.368 12.926 2.879) 14.289 22.267 ( -1.170 -1.925 -2.718) 3.530 22.267 ( -1.082 -1.976 2.718) 3.530 23.467 ( 3.333 3.852 -5.361) 7.395 23.467 ( 1.670 4.812 5.361) 7.395 23.711 ( -0.404 -2.986 -3.010) 4.259 23.711 ( -2.384 -1.843 3.010) 4.259 24.351 ( 1.464 -0.023 -0.250) 1.485 24.351 ( -0.752 1.257 0.250) 1.485 24.575 ( -6.392 -12.476 -1.392) 14.087 24.575 ( -7.609 -11.773 1.392) 14.087 =================== 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 3/28800 10.0 1279.402 1279.402 812.000 -0.000 -0.000 -0.000 3/28800 20.0 137.537 137.537 91.439 -0.000 -0.000 -0.000 3/28800 30.0 41.693 41.693 24.694 -0.000 -0.000 -0.000 3/28800 40.0 21.639 21.639 11.780 -0.000 -0.000 -0.000 3/28800 50.0 13.965 13.965 7.273 -0.000 -0.000 -0.000 3/28800 60.0 10.086 10.086 5.144 -0.000 -0.000 -0.000 3/28800 70.0 7.812 7.812 3.947 -0.000 -0.000 -0.000 3/28800 80.0 6.349 6.349 3.197 -0.000 -0.000 -0.000 3/28800 90.0 5.343 5.343 2.688 -0.000 -0.000 -0.000 3/28800 100.0 4.616 4.616 2.324 -0.000 -0.000 -0.000 3/28800 110.0 4.070 4.070 2.050 -0.000 -0.000 -0.000 3/28800 120.0 3.646 3.646 1.838 -0.000 -0.000 -0.000 3/28800 130.0 3.309 3.309 1.669 -0.000 -0.000 -0.000 3/28800 140.0 3.034 3.034 1.530 -0.000 -0.000 -0.000 3/28800 150.0 2.807 2.807 1.415 -0.000 -0.000 -0.000 3/28800 160.0 2.615 2.615 1.318 -0.000 -0.000 -0.000 3/28800 170.0 2.451 2.451 1.234 -0.000 -0.000 -0.000 3/28800 180.0 2.309 2.309 1.162 -0.000 -0.000 -0.000 3/28800 190.0 2.185 2.185 1.098 -0.000 -0.000 -0.000 3/28800 200.0 2.075 2.075 1.042 -0.000 -0.000 -0.000 3/28800 210.0 1.977 1.977 0.992 -0.000 -0.000 -0.000 3/28800 220.0 1.890 1.890 0.947 -0.000 -0.000 -0.000 3/28800 230.0 1.810 1.810 0.906 -0.000 -0.000 -0.000 3/28800 240.0 1.738 1.738 0.869 -0.000 -0.000 -0.000 3/28800 250.0 1.672 1.672 0.836 -0.000 -0.000 -0.000 3/28800 260.0 1.611 1.611 0.805 -0.000 -0.000 -0.000 3/28800 270.0 1.555 1.555 0.776 -0.000 -0.000 -0.000 3/28800 280.0 1.503 1.503 0.750 -0.000 -0.000 -0.000 3/28800 290.0 1.455 1.455 0.725 -0.000 -0.000 -0.000 3/28800 300.0 1.410 1.410 0.703 -0.000 -0.000 -0.000 3/28800 310.0 1.368 1.368 0.681 -0.000 -0.000 -0.000 3/28800 320.0 1.328 1.328 0.661 -0.000 -0.000 -0.000 3/28800 330.0 1.291 1.291 0.642 -0.000 -0.000 -0.000 3/28800 340.0 1.256 1.256 0.625 -0.000 -0.000 -0.000 3/28800 350.0 1.223 1.223 0.608 -0.000 -0.000 -0.000 3/28800 360.0 1.191 1.191 0.592 -0.000 -0.000 -0.000 3/28800 370.0 1.161 1.161 0.577 -0.000 -0.000 -0.000 3/28800 380.0 1.133 1.133 0.563 -0.000 -0.000 -0.000 3/28800 390.0 1.106 1.106 0.550 -0.000 -0.000 -0.000 3/28800 400.0 1.080 1.080 0.537 -0.000 -0.000 -0.000 3/28800 410.0 1.056 1.056 0.525 -0.000 -0.000 -0.000 3/28800 420.0 1.033 1.033 0.513 -0.000 -0.000 -0.000 3/28800 430.0 1.010 1.010 0.502 -0.000 -0.000 -0.000 3/28800 440.0 0.989 0.989 0.491 -0.000 -0.000 -0.000 3/28800 450.0 0.968 0.968 0.481 -0.000 -0.000 -0.000 3/28800 460.0 0.948 0.948 0.471 -0.000 -0.000 -0.000 3/28800 470.0 0.930 0.930 0.462 -0.000 -0.000 -0.000 3/28800 480.0 0.911 0.911 0.453 -0.000 -0.000 -0.000 3/28800 490.0 0.894 0.894 0.444 -0.000 -0.000 -0.000 3/28800 500.0 0.877 0.877 0.436 -0.000 -0.000 -0.000 3/28800 510.0 0.861 0.861 0.428 -0.000 -0.000 -0.000 3/28800 520.0 0.845 0.845 0.420 -0.000 -0.000 -0.000 3/28800 530.0 0.830 0.830 0.412 -0.000 -0.000 -0.000 3/28800 540.0 0.816 0.816 0.405 -0.000 -0.000 -0.000 3/28800 550.0 0.802 0.802 0.398 -0.000 -0.000 -0.000 3/28800 560.0 0.788 0.788 0.391 -0.000 -0.000 -0.000 3/28800 570.0 0.775 0.775 0.385 -0.000 -0.000 -0.000 3/28800 580.0 0.762 0.762 0.379 -0.000 -0.000 -0.000 3/28800 590.0 0.750 0.750 0.372 -0.000 -0.000 -0.000 3/28800 600.0 0.738 0.738 0.367 -0.000 -0.000 -0.000 3/28800 610.0 0.727 0.727 0.361 -0.000 -0.000 -0.000 3/28800 620.0 0.715 0.715 0.355 -0.000 -0.000 -0.000 3/28800 630.0 0.704 0.704 0.350 -0.000 -0.000 -0.000 3/28800 640.0 0.694 0.694 0.345 -0.000 -0.000 -0.000 3/28800 650.0 0.684 0.684 0.340 -0.000 -0.000 -0.000 3/28800 660.0 0.674 0.674 0.335 -0.000 -0.000 -0.000 3/28800 670.0 0.664 0.664 0.330 -0.000 -0.000 -0.000 3/28800 680.0 0.655 0.655 0.325 -0.000 -0.000 -0.000 3/28800 690.0 0.646 0.646 0.321 -0.000 -0.000 -0.000 3/28800 700.0 0.637 0.637 0.316 -0.000 -0.000 -0.000 3/28800 710.0 0.628 0.628 0.312 -0.000 -0.000 -0.000 3/28800 720.0 0.620 0.620 0.308 -0.000 -0.000 -0.000 3/28800 730.0 0.612 0.612 0.304 -0.000 -0.000 -0.000 3/28800 740.0 0.604 0.604 0.300 -0.000 -0.000 -0.000 3/28800 750.0 0.596 0.596 0.296 -0.000 -0.000 -0.000 3/28800 760.0 0.588 0.588 0.292 -0.000 -0.000 -0.000 3/28800 770.0 0.581 0.581 0.288 -0.000 -0.000 -0.000 3/28800 780.0 0.574 0.574 0.285 -0.000 -0.000 -0.000 3/28800 790.0 0.567 0.567 0.281 -0.000 -0.000 -0.000 3/28800 800.0 0.560 0.560 0.278 -0.000 -0.000 -0.000 3/28800 810.0 0.553 0.553 0.275 -0.000 -0.000 -0.000 3/28800 820.0 0.546 0.546 0.271 -0.000 -0.000 -0.000 3/28800 830.0 0.540 0.540 0.268 -0.000 -0.000 -0.000 3/28800 840.0 0.534 0.534 0.265 -0.000 -0.000 -0.000 3/28800 850.0 0.528 0.528 0.262 -0.000 -0.000 -0.000 3/28800 860.0 0.522 0.522 0.259 -0.000 -0.000 -0.000 3/28800 870.0 0.516 0.516 0.256 -0.000 -0.000 -0.000 3/28800 880.0 0.510 0.510 0.253 -0.000 -0.000 -0.000 3/28800 890.0 0.505 0.505 0.251 -0.000 -0.000 -0.000 3/28800 900.0 0.499 0.499 0.248 -0.000 -0.000 -0.000 3/28800 910.0 0.494 0.494 0.245 -0.000 -0.000 -0.000 3/28800 920.0 0.489 0.489 0.243 -0.000 -0.000 -0.000 3/28800 930.0 0.483 0.483 0.240 -0.000 -0.000 -0.000 3/28800 940.0 0.478 0.478 0.238 -0.000 -0.000 -0.000 3/28800 950.0 0.473 0.473 0.235 -0.000 -0.000 -0.000 3/28800 960.0 0.469 0.469 0.233 -0.000 -0.000 -0.000 3/28800 970.0 0.464 0.464 0.230 -0.000 -0.000 -0.000 3/28800 980.0 0.459 0.459 0.228 -0.000 -0.000 -0.000 3/28800 990.0 0.455 0.455 0.226 -0.000 -0.000 -0.000 3/28800 1000.0 0.450 0.450 0.224 -0.000 -0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10102.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:47:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|