----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:14:34]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576137250000000 Atomic positions (fractional): *1 Si 0.37011724342919 0.10780872863607 0.60560128504402 28.085 2 Si 0.12988275657081 0.39219127136393 0.10560128504402 28.085 3 Si 0.62988275657081 0.10780872863607 0.89439871495598 28.085 4 Si 0.87011724342919 0.39219127136393 0.39439871495598 28.085 5 Si 0.62988275657081 0.89219127136393 0.39439871495598 28.085 6 Si 0.87011724342919 0.60780872863607 0.89439871495598 28.085 7 Si 0.37011724342919 0.89219127136393 0.10560128504402 28.085 8 Si 0.12988275657081 0.60780872863607 0.60560128504402 28.085 *9 Si 0.18149272874890 0.06331568543425 0.91096700475686 28.085 10 Si 0.31850727125110 0.43668431456575 0.41096700475686 28.085 11 Si 0.81850727125110 0.06331568543425 0.58903299524314 28.085 12 Si 0.68149272874890 0.43668431456575 0.08903299524314 28.085 13 Si 0.81850727125110 0.93668431456575 0.08903299524314 28.085 14 Si 0.68149272874890 0.56331568543425 0.58903299524314 28.085 15 Si 0.18149272874890 0.93668431456575 0.41096700475686 28.085 16 Si 0.31850727125110 0.56331568543425 0.91096700475686 28.085 *17 Si 0.42626005410783 0.70570118616404 0.55646077461299 28.085 18 Si 0.07373994589217 0.79429881383596 0.05646077461299 28.085 19 Si 0.57373994589217 0.70570118616404 0.94353922538701 28.085 20 Si 0.92626005410783 0.79429881383596 0.44353922538701 28.085 21 Si 0.57373994589217 0.29429881383596 0.44353922538701 28.085 22 Si 0.92626005410783 0.20570118616404 0.94353922538701 28.085 23 Si 0.42626005410783 0.29429881383596 0.05646077461299 28.085 24 Si 0.07373994589217 0.20570118616404 0.55646077461299 28.085 *25 Os 0.50000000000000 0.92407373715309 0.75000000000000 190.230 26 Os 0.00000000000000 0.57592626284691 0.25000000000000 190.230 27 Os 0.50000000000000 0.07592626284691 0.25000000000000 190.230 28 Os 0.00000000000000 0.42407373715309 0.75000000000000 190.230 *29 Os 0.50000000000000 0.46174409165188 0.75000000000000 190.230 30 Os 0.00000000000000 0.03825590834812 0.25000000000000 190.230 31 Os 0.50000000000000 0.53825590834812 0.25000000000000 190.230 32 Os 0.00000000000000 0.96174409165188 0.75000000000000 190.230 *33 Os 0.25459892992901 0.31326244688852 0.76402671981265 190.230 34 Os 0.24540107007099 0.18673755311148 0.26402671981265 190.230 35 Os 0.74540107007099 0.31326244688852 0.73597328018735 190.230 36 Os 0.75459892992901 0.18673755311148 0.23597328018735 190.230 37 Os 0.74540107007099 0.68673755311148 0.23597328018735 190.230 38 Os 0.75459892992901 0.81326244688852 0.73597328018735 190.230 39 Os 0.25459892992901 0.68673755311148 0.26402671981265 190.230 40 Os 0.24540107007099 0.81326244688852 0.76402671981265 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576137250000000 Atomic positions (fractional): *1 Si 0.37011724342919 0.10780872863607 0.60560128504402 28.085 > 1 2 Si 0.12988275657081 0.39219127136393 0.10560128504402 28.085 > 2 3 Si 0.62988275657081 0.10780872863607 0.89439871495598 28.085 > 3 4 Si 0.87011724342919 0.39219127136393 0.39439871495598 28.085 > 4 5 Si 0.62988275657081 0.89219127136393 0.39439871495598 28.085 > 5 6 Si 0.87011724342919 0.60780872863607 0.89439871495598 28.085 > 6 7 Si 0.37011724342919 0.89219127136393 0.10560128504402 28.085 > 7 8 Si 0.12988275657081 0.60780872863607 0.60560128504402 28.085 > 8 *9 Si 0.18149272874890 0.06331568543425 0.91096700475686 28.085 > 9 10 Si 0.31850727125110 0.43668431456575 0.41096700475686 28.085 > 10 11 Si 0.81850727125110 0.06331568543425 0.58903299524314 28.085 > 11 12 Si 0.68149272874890 0.43668431456575 0.08903299524314 28.085 > 12 13 Si 0.81850727125110 0.93668431456575 0.08903299524314 28.085 > 13 14 Si 0.68149272874890 0.56331568543425 0.58903299524314 28.085 > 14 15 Si 0.18149272874890 0.93668431456575 0.41096700475686 28.085 > 15 16 Si 0.31850727125110 0.56331568543425 0.91096700475686 28.085 > 16 *17 Si 0.42626005410783 0.70570118616404 0.55646077461299 28.085 > 17 18 Si 0.07373994589217 0.79429881383596 0.05646077461299 28.085 > 18 19 Si 0.57373994589217 0.70570118616404 0.94353922538701 28.085 > 19 20 Si 0.92626005410783 0.79429881383596 0.44353922538701 28.085 > 20 21 Si 0.57373994589217 0.29429881383596 0.44353922538701 28.085 > 21 22 Si 0.92626005410783 0.20570118616404 0.94353922538701 28.085 > 22 23 Si 0.42626005410783 0.29429881383596 0.05646077461299 28.085 > 23 24 Si 0.07373994589217 0.20570118616404 0.55646077461299 28.085 > 24 *25 Os 0.50000000000000 0.92407373715309 0.75000000000000 190.230 > 25 26 Os 0.00000000000000 0.57592626284691 0.25000000000000 190.230 > 26 27 Os 0.50000000000000 0.07592626284691 0.25000000000000 190.230 > 27 28 Os 0.00000000000000 0.42407373715309 0.75000000000000 190.230 > 28 *29 Os 0.50000000000000 0.46174409165188 0.75000000000000 190.230 > 29 30 Os 0.00000000000000 0.03825590834812 0.25000000000000 190.230 > 30 31 Os 0.50000000000000 0.53825590834812 0.25000000000000 190.230 > 31 32 Os 0.00000000000000 0.96174409165188 0.75000000000000 190.230 > 32 *33 Os 0.25459892992901 0.31326244688852 0.76402671981265 190.230 > 33 34 Os 0.24540107007099 0.18673755311148 0.26402671981265 190.230 > 34 35 Os 0.74540107007099 0.31326244688852 0.73597328018735 190.230 > 35 36 Os 0.75459892992901 0.18673755311148 0.23597328018735 190.230 > 36 37 Os 0.74540107007099 0.68673755311148 0.23597328018735 190.230 > 37 38 Os 0.75459892992901 0.81326244688852 0.73597328018735 190.230 > 38 39 Os 0.25459892992901 0.68673755311148 0.26402671981265 190.230 > 39 40 Os 0.24540107007099 0.81326244688852 0.76402671981265 190.230 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152274500000001 Atomic positions (fractional): *1 Si 0.37011724342919 0.10780872863607 0.30280064252201 28.085 > 1 2 Si 0.37011724342919 0.10780872863607 0.80280064252201 28.085 > 1 3 Si 0.12988275657081 0.39219127136393 0.05280064252201 28.085 > 2 4 Si 0.12988275657081 0.39219127136393 0.55280064252201 28.085 > 2 5 Si 0.62988275657081 0.10780872863607 0.44719935747799 28.085 > 3 6 Si 0.62988275657081 0.10780872863607 0.94719935747799 28.085 > 3 7 Si 0.87011724342919 0.39219127136393 0.19719935747799 28.085 > 4 8 Si 0.87011724342919 0.39219127136393 0.69719935747799 28.085 > 4 9 Si 0.62988275657081 0.89219127136393 0.19719935747799 28.085 > 5 10 Si 0.62988275657081 0.89219127136393 0.69719935747799 28.085 > 5 11 Si 0.87011724342919 0.60780872863607 0.44719935747799 28.085 > 6 12 Si 0.87011724342919 0.60780872863607 0.94719935747799 28.085 > 6 13 Si 0.37011724342919 0.89219127136393 0.05280064252201 28.085 > 7 14 Si 0.37011724342919 0.89219127136393 0.55280064252201 28.085 > 7 15 Si 0.12988275657081 0.60780872863607 0.30280064252201 28.085 > 8 16 Si 0.12988275657081 0.60780872863607 0.80280064252201 28.085 > 8 *17 Si 0.18149272874890 0.06331568543425 0.45548350237843 28.085 > 9 18 Si 0.18149272874890 0.06331568543425 0.95548350237843 28.085 > 9 19 Si 0.31850727125110 0.43668431456575 0.20548350237843 28.085 > 10 20 Si 0.31850727125110 0.43668431456575 0.70548350237843 28.085 > 10 21 Si 0.81850727125110 0.06331568543425 0.29451649762157 28.085 > 11 22 Si 0.81850727125110 0.06331568543425 0.79451649762157 28.085 > 11 23 Si 0.68149272874890 0.43668431456575 0.04451649762157 28.085 > 12 24 Si 0.68149272874890 0.43668431456575 0.54451649762157 28.085 > 12 25 Si 0.81850727125110 0.93668431456575 0.04451649762157 28.085 > 13 26 Si 0.81850727125110 0.93668431456575 0.54451649762157 28.085 > 13 27 Si 0.68149272874890 0.56331568543425 0.29451649762157 28.085 > 14 28 Si 0.68149272874890 0.56331568543425 0.79451649762157 28.085 > 14 29 Si 0.18149272874890 0.93668431456575 0.20548350237843 28.085 > 15 30 Si 0.18149272874890 0.93668431456575 0.70548350237843 28.085 > 15 31 Si 0.31850727125110 0.56331568543425 0.45548350237843 28.085 > 16 32 Si 0.31850727125110 0.56331568543425 0.95548350237843 28.085 > 16 *33 Si 0.42626005410783 0.70570118616404 0.27823038730649 28.085 > 17 34 Si 0.42626005410783 0.70570118616404 0.77823038730649 28.085 > 17 35 Si 0.07373994589217 0.79429881383596 0.02823038730649 28.085 > 18 36 Si 0.07373994589217 0.79429881383596 0.52823038730649 28.085 > 18 37 Si 0.57373994589217 0.70570118616404 0.47176961269351 28.085 > 19 38 Si 0.57373994589217 0.70570118616404 0.97176961269351 28.085 > 19 39 Si 0.92626005410783 0.79429881383596 0.22176961269351 28.085 > 20 40 Si 0.92626005410783 0.79429881383596 0.72176961269351 28.085 > 20 41 Si 0.57373994589217 0.29429881383596 0.22176961269351 28.085 > 21 42 Si 0.57373994589217 0.29429881383596 0.72176961269351 28.085 > 21 43 Si 0.92626005410783 0.20570118616404 0.47176961269351 28.085 > 22 44 Si 0.92626005410783 0.20570118616404 0.97176961269351 28.085 > 22 45 Si 0.42626005410783 0.29429881383596 0.02823038730649 28.085 > 23 46 Si 0.42626005410783 0.29429881383596 0.52823038730649 28.085 > 23 47 Si 0.07373994589217 0.20570118616404 0.27823038730649 28.085 > 24 48 Si 0.07373994589217 0.20570118616404 0.77823038730649 28.085 > 24 *49 Os 0.50000000000000 0.92407373715309 0.37500000000000 190.230 > 25 50 Os 0.50000000000000 0.92407373715309 0.87500000000000 190.230 > 25 51 Os 0.00000000000000 0.57592626284691 0.12500000000000 190.230 > 26 52 Os 0.00000000000000 0.57592626284691 0.62500000000000 190.230 > 26 53 Os 0.50000000000000 0.07592626284691 0.12500000000000 190.230 > 27 54 Os 0.50000000000000 0.07592626284691 0.62500000000000 190.230 > 27 55 Os 0.00000000000000 0.42407373715309 0.37500000000000 190.230 > 28 56 Os 0.00000000000000 0.42407373715309 0.87500000000000 190.230 > 28 *57 Os 0.50000000000000 0.46174409165188 0.37500000000000 190.230 > 29 58 Os 0.50000000000000 0.46174409165188 0.87500000000000 190.230 > 29 59 Os 0.00000000000000 0.03825590834812 0.12500000000000 190.230 > 30 60 Os 0.00000000000000 0.03825590834812 0.62500000000000 190.230 > 30 61 Os 0.50000000000000 0.53825590834812 0.12500000000000 190.230 > 31 62 Os 0.50000000000000 0.53825590834812 0.62500000000000 190.230 > 31 63 Os 0.00000000000000 0.96174409165188 0.37500000000000 190.230 > 32 64 Os 0.00000000000000 0.96174409165188 0.87500000000000 190.230 > 32 *65 Os 0.25459892992901 0.31326244688852 0.38201335990633 190.230 > 33 66 Os 0.25459892992901 0.31326244688852 0.88201335990633 190.230 > 33 67 Os 0.24540107007099 0.18673755311148 0.13201335990633 190.230 > 34 68 Os 0.24540107007099 0.18673755311148 0.63201335990633 190.230 > 34 69 Os 0.74540107007099 0.31326244688852 0.36798664009367 190.230 > 35 70 Os 0.74540107007099 0.31326244688852 0.86798664009367 190.230 > 35 71 Os 0.75459892992901 0.18673755311148 0.11798664009367 190.230 > 36 72 Os 0.75459892992901 0.18673755311148 0.61798664009367 190.230 > 36 73 Os 0.74540107007099 0.68673755311148 0.11798664009367 190.230 > 37 74 Os 0.74540107007099 0.68673755311148 0.61798664009367 190.230 > 37 75 Os 0.75459892992901 0.81326244688852 0.36798664009367 190.230 > 38 76 Os 0.75459892992901 0.81326244688852 0.86798664009367 190.230 > 38 77 Os 0.25459892992901 0.68673755311148 0.13201335990633 190.230 > 39 78 Os 0.25459892992901 0.68673755311148 0.63201335990633 190.230 > 39 79 Os 0.24540107007099 0.81326244688852 0.38201335990633 190.230 > 40 80 Os 0.24540107007099 0.81326244688852 0.88201335990633 190.230 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.8140987 0.0000000 0.0000000 0.0000000 19.1709988 0.0000000 0.0000000 0.0000000 20.4619483 -------------------------- Born effective charges -------------------------- 1 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 2 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 3 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 4 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 5 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 6 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 7 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 8 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 9 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 10 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 11 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 12 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 13 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 14 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 15 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 16 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 17 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 18 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 19 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 20 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 21 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 22 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 23 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 24 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 25 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 26 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 27 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 28 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 29 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 30 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 31 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 32 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 33 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 34 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 35 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 36 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 37 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 38 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 39 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 40 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.195 Solver_block: 200 / 640 - Time: 2.157 Solver_block: 300 / 640 - Time: 2.157 Solver_block: 400 / 640 - Time: 2.159 Solver_block: 500 / 640 - Time: 2.156 Solver_block: 600 / 640 - Time: 2.155 Solver_block: 640 / 640 - Time: 0.927 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.956 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:15:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:15:08]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576137250000000 Atomic positions (fractional): 1 Si 0.37011724342919 0.10780872863607 0.60560128504402 28.085 2 Si 0.12988275657081 0.39219127136393 0.10560128504402 28.085 3 Si 0.62988275657081 0.10780872863607 0.89439871495598 28.085 4 Si 0.87011724342919 0.39219127136393 0.39439871495598 28.085 5 Si 0.62988275657081 0.89219127136393 0.39439871495598 28.085 6 Si 0.87011724342919 0.60780872863607 0.89439871495598 28.085 7 Si 0.37011724342919 0.89219127136393 0.10560128504402 28.085 8 Si 0.12988275657081 0.60780872863607 0.60560128504402 28.085 9 Si 0.18149272874890 0.06331568543425 0.91096700475686 28.085 10 Si 0.31850727125110 0.43668431456575 0.41096700475686 28.085 11 Si 0.81850727125110 0.06331568543425 0.58903299524314 28.085 12 Si 0.68149272874890 0.43668431456575 0.08903299524314 28.085 13 Si 0.81850727125110 0.93668431456575 0.08903299524314 28.085 14 Si 0.68149272874890 0.56331568543425 0.58903299524314 28.085 15 Si 0.18149272874890 0.93668431456575 0.41096700475686 28.085 16 Si 0.31850727125110 0.56331568543425 0.91096700475686 28.085 17 Si 0.42626005410783 0.70570118616404 0.55646077461299 28.085 18 Si 0.07373994589217 0.79429881383596 0.05646077461299 28.085 19 Si 0.57373994589217 0.70570118616404 0.94353922538701 28.085 20 Si 0.92626005410783 0.79429881383596 0.44353922538701 28.085 21 Si 0.57373994589217 0.29429881383596 0.44353922538701 28.085 22 Si 0.92626005410783 0.20570118616404 0.94353922538701 28.085 23 Si 0.42626005410783 0.29429881383596 0.05646077461299 28.085 24 Si 0.07373994589217 0.20570118616404 0.55646077461299 28.085 25 Os 0.50000000000000 0.92407373715309 0.75000000000000 190.230 26 Os 0.00000000000000 0.57592626284691 0.25000000000000 190.230 27 Os 0.50000000000000 0.07592626284691 0.25000000000000 190.230 28 Os 0.00000000000000 0.42407373715309 0.75000000000000 190.230 29 Os 0.50000000000000 0.46174409165188 0.75000000000000 190.230 30 Os 0.00000000000000 0.03825590834812 0.25000000000000 190.230 31 Os 0.50000000000000 0.53825590834812 0.25000000000000 190.230 32 Os 0.00000000000000 0.96174409165188 0.75000000000000 190.230 33 Os 0.25459892992901 0.31326244688852 0.76402671981265 190.230 34 Os 0.24540107007099 0.18673755311148 0.26402671981265 190.230 35 Os 0.74540107007099 0.31326244688852 0.73597328018735 190.230 36 Os 0.75459892992901 0.18673755311148 0.23597328018735 190.230 37 Os 0.74540107007099 0.68673755311148 0.23597328018735 190.230 38 Os 0.75459892992901 0.81326244688852 0.73597328018735 190.230 39 Os 0.25459892992901 0.68673755311148 0.26402671981265 190.230 40 Os 0.24540107007099 0.81326244688852 0.76402671981265 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152274500000001 Atomic positions (fractional): 1 Si 0.37011724342919 0.10780872863607 0.30280064252201 28.085 > 1 2 Si 0.37011724342919 0.10780872863607 0.80280064252201 28.085 > 1 3 Si 0.12988275657081 0.39219127136393 0.05280064252201 28.085 > 3 4 Si 0.12988275657081 0.39219127136393 0.55280064252201 28.085 > 3 5 Si 0.62988275657081 0.10780872863607 0.44719935747799 28.085 > 5 6 Si 0.62988275657081 0.10780872863607 0.94719935747799 28.085 > 5 7 Si 0.87011724342919 0.39219127136393 0.19719935747799 28.085 > 7 8 Si 0.87011724342919 0.39219127136393 0.69719935747799 28.085 > 7 9 Si 0.62988275657081 0.89219127136393 0.19719935747799 28.085 > 9 10 Si 0.62988275657081 0.89219127136393 0.69719935747799 28.085 > 9 11 Si 0.87011724342919 0.60780872863607 0.44719935747799 28.085 > 11 12 Si 0.87011724342919 0.60780872863607 0.94719935747799 28.085 > 11 13 Si 0.37011724342919 0.89219127136393 0.05280064252201 28.085 > 13 14 Si 0.37011724342919 0.89219127136393 0.55280064252201 28.085 > 13 15 Si 0.12988275657081 0.60780872863607 0.30280064252201 28.085 > 15 16 Si 0.12988275657081 0.60780872863607 0.80280064252201 28.085 > 15 17 Si 0.18149272874890 0.06331568543425 0.45548350237843 28.085 > 17 18 Si 0.18149272874890 0.06331568543425 0.95548350237843 28.085 > 17 19 Si 0.31850727125110 0.43668431456575 0.20548350237843 28.085 > 19 20 Si 0.31850727125110 0.43668431456575 0.70548350237843 28.085 > 19 21 Si 0.81850727125110 0.06331568543425 0.29451649762157 28.085 > 21 22 Si 0.81850727125110 0.06331568543425 0.79451649762157 28.085 > 21 23 Si 0.68149272874890 0.43668431456575 0.04451649762157 28.085 > 23 24 Si 0.68149272874890 0.43668431456575 0.54451649762157 28.085 > 23 25 Si 0.81850727125110 0.93668431456575 0.04451649762157 28.085 > 25 26 Si 0.81850727125110 0.93668431456575 0.54451649762157 28.085 > 25 27 Si 0.68149272874890 0.56331568543425 0.29451649762157 28.085 > 27 28 Si 0.68149272874890 0.56331568543425 0.79451649762157 28.085 > 27 29 Si 0.18149272874890 0.93668431456575 0.20548350237843 28.085 > 29 30 Si 0.18149272874890 0.93668431456575 0.70548350237843 28.085 > 29 31 Si 0.31850727125110 0.56331568543425 0.45548350237843 28.085 > 31 32 Si 0.31850727125110 0.56331568543425 0.95548350237843 28.085 > 31 33 Si 0.42626005410783 0.70570118616404 0.27823038730649 28.085 > 33 34 Si 0.42626005410783 0.70570118616404 0.77823038730649 28.085 > 33 35 Si 0.07373994589217 0.79429881383596 0.02823038730649 28.085 > 35 36 Si 0.07373994589217 0.79429881383596 0.52823038730649 28.085 > 35 37 Si 0.57373994589217 0.70570118616404 0.47176961269351 28.085 > 37 38 Si 0.57373994589217 0.70570118616404 0.97176961269351 28.085 > 37 39 Si 0.92626005410783 0.79429881383596 0.22176961269351 28.085 > 39 40 Si 0.92626005410783 0.79429881383596 0.72176961269351 28.085 > 39 41 Si 0.57373994589217 0.29429881383596 0.22176961269351 28.085 > 41 42 Si 0.57373994589217 0.29429881383596 0.72176961269351 28.085 > 41 43 Si 0.92626005410783 0.20570118616404 0.47176961269351 28.085 > 43 44 Si 0.92626005410783 0.20570118616404 0.97176961269351 28.085 > 43 45 Si 0.42626005410783 0.29429881383596 0.02823038730649 28.085 > 45 46 Si 0.42626005410783 0.29429881383596 0.52823038730649 28.085 > 45 47 Si 0.07373994589217 0.20570118616404 0.27823038730649 28.085 > 47 48 Si 0.07373994589217 0.20570118616404 0.77823038730649 28.085 > 47 49 Os 0.50000000000000 0.92407373715309 0.37500000000000 190.230 > 49 50 Os 0.50000000000000 0.92407373715309 0.87500000000000 190.230 > 49 51 Os 0.00000000000000 0.57592626284691 0.12500000000000 190.230 > 51 52 Os 0.00000000000000 0.57592626284691 0.62500000000000 190.230 > 51 53 Os 0.50000000000000 0.07592626284691 0.12500000000000 190.230 > 53 54 Os 0.50000000000000 0.07592626284691 0.62500000000000 190.230 > 53 55 Os 0.00000000000000 0.42407373715309 0.37500000000000 190.230 > 55 56 Os 0.00000000000000 0.42407373715309 0.87500000000000 190.230 > 55 57 Os 0.50000000000000 0.46174409165188 0.37500000000000 190.230 > 57 58 Os 0.50000000000000 0.46174409165188 0.87500000000000 190.230 > 57 59 Os 0.00000000000000 0.03825590834812 0.12500000000000 190.230 > 59 60 Os 0.00000000000000 0.03825590834812 0.62500000000000 190.230 > 59 61 Os 0.50000000000000 0.53825590834812 0.12500000000000 190.230 > 61 62 Os 0.50000000000000 0.53825590834812 0.62500000000000 190.230 > 61 63 Os 0.00000000000000 0.96174409165188 0.37500000000000 190.230 > 63 64 Os 0.00000000000000 0.96174409165188 0.87500000000000 190.230 > 63 65 Os 0.25459892992901 0.31326244688852 0.38201335990633 190.230 > 65 66 Os 0.25459892992901 0.31326244688852 0.88201335990633 190.230 > 65 67 Os 0.24540107007099 0.18673755311148 0.13201335990633 190.230 > 67 68 Os 0.24540107007099 0.18673755311148 0.63201335990633 190.230 > 67 69 Os 0.74540107007099 0.31326244688852 0.36798664009367 190.230 > 69 70 Os 0.74540107007099 0.31326244688852 0.86798664009367 190.230 > 69 71 Os 0.75459892992901 0.18673755311148 0.11798664009367 190.230 > 71 72 Os 0.75459892992901 0.18673755311148 0.61798664009367 190.230 > 71 73 Os 0.74540107007099 0.68673755311148 0.11798664009367 190.230 > 73 74 Os 0.74540107007099 0.68673755311148 0.61798664009367 190.230 > 73 75 Os 0.75459892992901 0.81326244688852 0.36798664009367 190.230 > 75 76 Os 0.75459892992901 0.81326244688852 0.86798664009367 190.230 > 75 77 Os 0.25459892992901 0.68673755311148 0.13201335990633 190.230 > 77 78 Os 0.25459892992901 0.68673755311148 0.63201335990633 190.230 > 77 79 Os 0.24540107007099 0.81326244688852 0.38201335990633 190.230 > 79 80 Os 0.24540107007099 0.81326244688852 0.88201335990633 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.8140987 0.0000000 0.0000000 0.0000000 19.1709988 0.0000000 0.0000000 0.0000000 20.4619483 -------------------------- Born effective charges -------------------------- 1 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 2 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 3 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 4 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 5 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 6 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 7 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 8 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 9 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 10 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 11 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 12 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 13 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 14 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 15 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 16 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 17 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 18 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 19 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 20 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 21 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 22 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 23 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 24 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 25 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 26 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 27 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 28 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 29 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 30 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 31 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 32 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 33 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 34 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 35 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 36 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 37 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 38 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 39 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 40 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:15:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:15:27]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576137250000000 Atomic positions (fractional): 1 Si 0.37011724342919 0.10780872863607 0.60560128504402 28.085 2 Si 0.12988275657081 0.39219127136393 0.10560128504402 28.085 3 Si 0.62988275657081 0.10780872863607 0.89439871495598 28.085 4 Si 0.87011724342919 0.39219127136393 0.39439871495598 28.085 5 Si 0.62988275657081 0.89219127136393 0.39439871495598 28.085 6 Si 0.87011724342919 0.60780872863607 0.89439871495598 28.085 7 Si 0.37011724342919 0.89219127136393 0.10560128504402 28.085 8 Si 0.12988275657081 0.60780872863607 0.60560128504402 28.085 9 Si 0.18149272874890 0.06331568543425 0.91096700475686 28.085 10 Si 0.31850727125110 0.43668431456575 0.41096700475686 28.085 11 Si 0.81850727125110 0.06331568543425 0.58903299524314 28.085 12 Si 0.68149272874890 0.43668431456575 0.08903299524314 28.085 13 Si 0.81850727125110 0.93668431456575 0.08903299524314 28.085 14 Si 0.68149272874890 0.56331568543425 0.58903299524314 28.085 15 Si 0.18149272874890 0.93668431456575 0.41096700475686 28.085 16 Si 0.31850727125110 0.56331568543425 0.91096700475686 28.085 17 Si 0.42626005410783 0.70570118616404 0.55646077461299 28.085 18 Si 0.07373994589217 0.79429881383596 0.05646077461299 28.085 19 Si 0.57373994589217 0.70570118616404 0.94353922538701 28.085 20 Si 0.92626005410783 0.79429881383596 0.44353922538701 28.085 21 Si 0.57373994589217 0.29429881383596 0.44353922538701 28.085 22 Si 0.92626005410783 0.20570118616404 0.94353922538701 28.085 23 Si 0.42626005410783 0.29429881383596 0.05646077461299 28.085 24 Si 0.07373994589217 0.20570118616404 0.55646077461299 28.085 25 Os 0.50000000000000 0.92407373715309 0.75000000000000 190.230 26 Os 0.00000000000000 0.57592626284691 0.25000000000000 190.230 27 Os 0.50000000000000 0.07592626284691 0.25000000000000 190.230 28 Os 0.00000000000000 0.42407373715309 0.75000000000000 190.230 29 Os 0.50000000000000 0.46174409165188 0.75000000000000 190.230 30 Os 0.00000000000000 0.03825590834812 0.25000000000000 190.230 31 Os 0.50000000000000 0.53825590834812 0.25000000000000 190.230 32 Os 0.00000000000000 0.96174409165188 0.75000000000000 190.230 33 Os 0.25459892992901 0.31326244688852 0.76402671981265 190.230 34 Os 0.24540107007099 0.18673755311148 0.26402671981265 190.230 35 Os 0.74540107007099 0.31326244688852 0.73597328018735 190.230 36 Os 0.75459892992901 0.18673755311148 0.23597328018735 190.230 37 Os 0.74540107007099 0.68673755311148 0.23597328018735 190.230 38 Os 0.75459892992901 0.81326244688852 0.73597328018735 190.230 39 Os 0.25459892992901 0.68673755311148 0.26402671981265 190.230 40 Os 0.24540107007099 0.81326244688852 0.76402671981265 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.135193160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.960126440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152274500000001 Atomic positions (fractional): 1 Si 0.37011724342919 0.10780872863607 0.30280064252201 28.085 > 1 2 Si 0.37011724342919 0.10780872863607 0.80280064252201 28.085 > 1 3 Si 0.12988275657081 0.39219127136393 0.05280064252201 28.085 > 3 4 Si 0.12988275657081 0.39219127136393 0.55280064252201 28.085 > 3 5 Si 0.62988275657081 0.10780872863607 0.44719935747799 28.085 > 5 6 Si 0.62988275657081 0.10780872863607 0.94719935747799 28.085 > 5 7 Si 0.87011724342919 0.39219127136393 0.19719935747799 28.085 > 7 8 Si 0.87011724342919 0.39219127136393 0.69719935747799 28.085 > 7 9 Si 0.62988275657081 0.89219127136393 0.19719935747799 28.085 > 9 10 Si 0.62988275657081 0.89219127136393 0.69719935747799 28.085 > 9 11 Si 0.87011724342919 0.60780872863607 0.44719935747799 28.085 > 11 12 Si 0.87011724342919 0.60780872863607 0.94719935747799 28.085 > 11 13 Si 0.37011724342919 0.89219127136393 0.05280064252201 28.085 > 13 14 Si 0.37011724342919 0.89219127136393 0.55280064252201 28.085 > 13 15 Si 0.12988275657081 0.60780872863607 0.30280064252201 28.085 > 15 16 Si 0.12988275657081 0.60780872863607 0.80280064252201 28.085 > 15 17 Si 0.18149272874890 0.06331568543425 0.45548350237843 28.085 > 17 18 Si 0.18149272874890 0.06331568543425 0.95548350237843 28.085 > 17 19 Si 0.31850727125110 0.43668431456575 0.20548350237843 28.085 > 19 20 Si 0.31850727125110 0.43668431456575 0.70548350237843 28.085 > 19 21 Si 0.81850727125110 0.06331568543425 0.29451649762157 28.085 > 21 22 Si 0.81850727125110 0.06331568543425 0.79451649762157 28.085 > 21 23 Si 0.68149272874890 0.43668431456575 0.04451649762157 28.085 > 23 24 Si 0.68149272874890 0.43668431456575 0.54451649762157 28.085 > 23 25 Si 0.81850727125110 0.93668431456575 0.04451649762157 28.085 > 25 26 Si 0.81850727125110 0.93668431456575 0.54451649762157 28.085 > 25 27 Si 0.68149272874890 0.56331568543425 0.29451649762157 28.085 > 27 28 Si 0.68149272874890 0.56331568543425 0.79451649762157 28.085 > 27 29 Si 0.18149272874890 0.93668431456575 0.20548350237843 28.085 > 29 30 Si 0.18149272874890 0.93668431456575 0.70548350237843 28.085 > 29 31 Si 0.31850727125110 0.56331568543425 0.45548350237843 28.085 > 31 32 Si 0.31850727125110 0.56331568543425 0.95548350237843 28.085 > 31 33 Si 0.42626005410783 0.70570118616404 0.27823038730649 28.085 > 33 34 Si 0.42626005410783 0.70570118616404 0.77823038730649 28.085 > 33 35 Si 0.07373994589217 0.79429881383596 0.02823038730649 28.085 > 35 36 Si 0.07373994589217 0.79429881383596 0.52823038730649 28.085 > 35 37 Si 0.57373994589217 0.70570118616404 0.47176961269351 28.085 > 37 38 Si 0.57373994589217 0.70570118616404 0.97176961269351 28.085 > 37 39 Si 0.92626005410783 0.79429881383596 0.22176961269351 28.085 > 39 40 Si 0.92626005410783 0.79429881383596 0.72176961269351 28.085 > 39 41 Si 0.57373994589217 0.29429881383596 0.22176961269351 28.085 > 41 42 Si 0.57373994589217 0.29429881383596 0.72176961269351 28.085 > 41 43 Si 0.92626005410783 0.20570118616404 0.47176961269351 28.085 > 43 44 Si 0.92626005410783 0.20570118616404 0.97176961269351 28.085 > 43 45 Si 0.42626005410783 0.29429881383596 0.02823038730649 28.085 > 45 46 Si 0.42626005410783 0.29429881383596 0.52823038730649 28.085 > 45 47 Si 0.07373994589217 0.20570118616404 0.27823038730649 28.085 > 47 48 Si 0.07373994589217 0.20570118616404 0.77823038730649 28.085 > 47 49 Os 0.50000000000000 0.92407373715309 0.37500000000000 190.230 > 49 50 Os 0.50000000000000 0.92407373715309 0.87500000000000 190.230 > 49 51 Os 0.00000000000000 0.57592626284691 0.12500000000000 190.230 > 51 52 Os 0.00000000000000 0.57592626284691 0.62500000000000 190.230 > 51 53 Os 0.50000000000000 0.07592626284691 0.12500000000000 190.230 > 53 54 Os 0.50000000000000 0.07592626284691 0.62500000000000 190.230 > 53 55 Os 0.00000000000000 0.42407373715309 0.37500000000000 190.230 > 55 56 Os 0.00000000000000 0.42407373715309 0.87500000000000 190.230 > 55 57 Os 0.50000000000000 0.46174409165188 0.37500000000000 190.230 > 57 58 Os 0.50000000000000 0.46174409165188 0.87500000000000 190.230 > 57 59 Os 0.00000000000000 0.03825590834812 0.12500000000000 190.230 > 59 60 Os 0.00000000000000 0.03825590834812 0.62500000000000 190.230 > 59 61 Os 0.50000000000000 0.53825590834812 0.12500000000000 190.230 > 61 62 Os 0.50000000000000 0.53825590834812 0.62500000000000 190.230 > 61 63 Os 0.00000000000000 0.96174409165188 0.37500000000000 190.230 > 63 64 Os 0.00000000000000 0.96174409165188 0.87500000000000 190.230 > 63 65 Os 0.25459892992901 0.31326244688852 0.38201335990633 190.230 > 65 66 Os 0.25459892992901 0.31326244688852 0.88201335990633 190.230 > 65 67 Os 0.24540107007099 0.18673755311148 0.13201335990633 190.230 > 67 68 Os 0.24540107007099 0.18673755311148 0.63201335990633 190.230 > 67 69 Os 0.74540107007099 0.31326244688852 0.36798664009367 190.230 > 69 70 Os 0.74540107007099 0.31326244688852 0.86798664009367 190.230 > 69 71 Os 0.75459892992901 0.18673755311148 0.11798664009367 190.230 > 71 72 Os 0.75459892992901 0.18673755311148 0.61798664009367 190.230 > 71 73 Os 0.74540107007099 0.68673755311148 0.11798664009367 190.230 > 73 74 Os 0.74540107007099 0.68673755311148 0.61798664009367 190.230 > 73 75 Os 0.75459892992901 0.81326244688852 0.36798664009367 190.230 > 75 76 Os 0.75459892992901 0.81326244688852 0.86798664009367 190.230 > 75 77 Os 0.25459892992901 0.68673755311148 0.13201335990633 190.230 > 77 78 Os 0.25459892992901 0.68673755311148 0.63201335990633 190.230 > 77 79 Os 0.24540107007099 0.81326244688852 0.38201335990633 190.230 > 79 80 Os 0.24540107007099 0.81326244688852 0.88201335990633 190.230 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.8140987 0.0000000 0.0000000 0.0000000 19.1709988 0.0000000 0.0000000 0.0000000 20.4619483 -------------------------- Born effective charges -------------------------- 1 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 2 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 3 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 4 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 5 Si 4.0805869 -0.2617659 -0.0002718 -0.5128480 4.3906003 -0.2422462 -0.3420072 -0.2824780 4.0783252 6 Si 4.0805869 -0.2617659 0.0002718 -0.5128480 4.3906003 0.2422462 0.3420072 0.2824780 4.0783252 7 Si 4.0805869 0.2617659 -0.0002718 0.5128480 4.3906003 0.2422462 -0.3420072 0.2824780 4.0783252 8 Si 4.0805869 0.2617659 0.0002718 0.5128480 4.3906003 -0.2422462 0.3420072 -0.2824780 4.0783252 9 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 10 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 11 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 12 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 13 Si 3.8193299 0.4969058 -0.2710618 0.4075014 4.1476601 0.2355058 -0.3060881 0.1407251 3.7964633 14 Si 3.8193299 0.4969058 0.2710618 0.4075014 4.1476601 -0.2355058 0.3060881 -0.1407251 3.7964633 15 Si 3.8193299 -0.4969058 -0.2710618 -0.4075014 4.1476601 -0.2355058 -0.3060881 -0.1407251 3.7964633 16 Si 3.8193299 -0.4969058 0.2710618 -0.4075014 4.1476601 0.2355058 0.3060881 0.1407251 3.7964633 17 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 18 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 19 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 20 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 21 Si 3.9295548 -0.4132313 0.2728813 -0.6422058 4.1923420 0.5867446 0.2298674 0.2804097 3.9123606 22 Si 3.9295548 -0.4132313 -0.2728813 -0.6422058 4.1923420 -0.5867446 -0.2298674 -0.2804097 3.9123606 23 Si 3.9295548 0.4132313 0.2728813 0.6422058 4.1923420 -0.5867446 0.2298674 -0.2804097 3.9123606 24 Si 3.9295548 0.4132313 -0.2728813 0.6422058 4.1923420 0.5867446 -0.2298674 0.2804097 3.9123606 25 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 26 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 27 Os -6.0808118 0.0000000 0.5906770 0.0000000 -5.5910825 0.0000000 0.2879137 0.0000000 -6.0448042 28 Os -6.0808118 0.0000000 -0.5906770 0.0000000 -5.5910825 0.0000000 -0.2879137 0.0000000 -6.0448042 29 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 30 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 31 Os -5.1689458 0.0000000 -0.5863974 0.0000000 -6.2238925 0.0000000 -0.7909287 0.0000000 -6.1880936 32 Os -5.1689458 0.0000000 0.5863974 0.0000000 -6.2238925 0.0000000 0.7909287 0.0000000 -6.1880936 33 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 34 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 35 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 36 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 37 Os -6.2045929 -0.5729293 -0.2291766 -0.1448465 -6.8231150 -0.1220695 -0.4173610 -0.0648505 -5.6707002 38 Os -6.2045929 -0.5729293 0.2291766 -0.1448465 -6.8231150 0.1220695 0.4173610 0.0648505 -5.6707002 39 Os -6.2045929 0.5729293 -0.2291766 0.1448465 -6.8231150 0.1220695 -0.4173610 0.0648505 -5.6707002 40 Os -6.2045929 0.5729293 0.2291766 0.1448465 -6.8231150 -0.1220695 0.4173610 -0.0648505 -5.6707002 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) 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 ... [ 4 6 9 ] 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: 0.50, Number of G-points: 307, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.274 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 13.729 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 13.942 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 14.343 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.113 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.216 ( 0.000 0.000 0.000) 0.000 15.461 ( 0.000 0.000 0.000) 0.000 15.705 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 29.402 0.000 0.000) 29.402 0.820 ( 35.495 0.000 0.000) 35.495 1.328 ( 57.221 0.000 0.000) 57.221 1.852 ( -20.870 0.000 0.000) 20.870 2.118 ( -18.010 0.000 0.000) 18.010 2.243 ( 5.354 0.000 0.000) 5.354 2.427 ( 3.974 0.000 0.000) 3.974 2.500 ( 0.526 0.000 0.000) 0.526 2.620 ( 1.570 0.000 0.000) 1.570 2.899 ( -9.193 0.000 0.000) 9.193 2.915 ( 2.602 0.000 0.000) 2.602 2.945 ( 11.110 0.000 0.000) 11.110 3.211 ( 2.399 0.000 0.000) 2.399 3.220 ( -7.600 0.000 0.000) 7.600 3.299 ( 3.377 0.000 0.000) 3.377 3.582 ( -12.070 0.000 0.000) 12.070 3.661 ( 6.840 0.000 0.000) 6.840 3.718 ( 0.484 0.000 0.000) 0.484 3.733 ( -3.597 0.000 0.000) 3.597 3.767 ( -28.987 0.000 0.000) 28.987 3.826 ( 4.665 0.000 0.000) 4.665 3.863 ( 4.731 0.000 0.000) 4.731 3.910 ( -4.729 0.000 0.000) 4.729 4.079 ( 9.586 0.000 0.000) 9.586 4.206 ( -10.142 0.000 0.000) 10.142 4.250 ( 7.421 0.000 0.000) 7.421 4.348 ( -3.558 0.000 0.000) 3.558 4.425 ( 0.832 0.000 0.000) 0.832 4.474 ( -12.532 0.000 0.000) 12.532 4.564 ( -2.982 0.000 0.000) 2.982 4.732 ( -3.947 0.000 0.000) 3.947 4.803 ( -9.987 0.000 0.000) 9.987 4.934 ( 2.153 0.000 0.000) 2.153 5.055 ( 1.649 0.000 0.000) 1.649 5.096 ( -0.021 0.000 0.000) 0.021 5.112 ( -5.636 0.000 0.000) 5.636 5.123 ( 0.991 0.000 0.000) 0.991 5.217 ( -0.435 0.000 0.000) 0.435 5.309 ( 0.962 0.000 0.000) 0.962 5.333 ( 1.467 0.000 0.000) 1.467 5.336 ( 18.574 0.000 0.000) 18.574 5.389 ( -0.807 0.000 0.000) 0.807 5.480 ( 7.783 0.000 0.000) 7.783 5.551 ( -3.133 0.000 0.000) 3.133 5.569 ( 4.466 0.000 0.000) 4.466 5.726 ( 8.339 0.000 0.000) 8.339 5.740 ( 3.953 0.000 0.000) 3.953 5.896 ( -5.072 0.000 0.000) 5.072 5.981 ( -2.552 0.000 0.000) 2.552 6.108 ( 2.204 0.000 0.000) 2.204 6.109 ( -4.510 0.000 0.000) 4.510 6.146 ( 3.157 0.000 0.000) 3.157 6.216 ( -1.518 0.000 0.000) 1.518 6.283 ( -3.280 0.000 0.000) 3.280 6.626 ( 0.591 0.000 0.000) 0.591 6.666 ( -0.632 0.000 0.000) 0.632 6.790 ( 1.993 0.000 0.000) 1.993 6.990 ( -4.380 0.000 0.000) 4.380 7.016 ( 0.537 0.000 0.000) 0.537 7.066 ( -1.277 0.000 0.000) 1.277 7.709 ( 6.390 0.000 0.000) 6.390 7.714 ( 5.094 0.000 0.000) 5.094 7.971 ( -3.196 0.000 0.000) 3.196 8.028 ( -6.562 0.000 0.000) 6.562 8.258 ( 0.446 0.000 0.000) 0.446 8.272 ( 0.940 0.000 0.000) 0.940 8.322 ( -1.354 0.000 0.000) 1.354 8.331 ( -2.634 0.000 0.000) 2.634 8.423 ( 2.155 0.000 0.000) 2.155 8.471 ( 3.733 0.000 0.000) 3.733 8.486 ( -0.092 0.000 0.000) 0.092 8.693 ( -4.576 0.000 0.000) 4.576 9.080 ( 1.191 0.000 0.000) 1.191 9.111 ( 0.158 0.000 0.000) 0.158 9.721 ( 1.586 0.000 0.000) 1.586 9.800 ( -1.152 0.000 0.000) 1.152 9.851 ( 2.436 0.000 0.000) 2.436 9.962 ( -1.689 0.000 0.000) 1.689 10.088 ( 1.185 0.000 0.000) 1.185 10.103 ( 3.632 0.000 0.000) 3.632 10.193 ( -2.237 0.000 0.000) 2.237 10.373 ( -6.105 0.000 0.000) 6.105 10.600 ( -0.772 0.000 0.000) 0.772 10.698 ( -3.937 0.000 0.000) 3.937 10.815 ( 2.399 0.000 0.000) 2.399 10.865 ( 6.722 0.000 0.000) 6.722 10.874 ( 1.053 0.000 0.000) 1.053 10.911 ( 1.095 0.000 0.000) 1.095 10.977 ( -1.089 0.000 0.000) 1.089 11.119 ( -2.855 0.000 0.000) 2.855 11.375 ( 2.874 0.000 0.000) 2.874 11.549 ( 6.962 0.000 0.000) 6.962 11.608 ( -4.610 0.000 0.000) 4.610 11.713 ( 0.515 0.000 0.000) 0.515 11.767 ( -1.261 0.000 0.000) 1.261 11.817 ( -3.397 0.000 0.000) 3.397 13.040 ( 2.944 0.000 0.000) 2.944 13.108 ( 1.940 0.000 0.000) 1.940 13.221 ( -3.718 0.000 0.000) 3.718 13.223 ( -2.099 0.000 0.000) 2.099 13.310 ( 0.662 0.000 0.000) 0.662 13.327 ( -0.234 0.000 0.000) 0.234 13.489 ( 0.724 0.000 0.000) 0.724 13.550 ( -1.745 0.000 0.000) 1.745 13.696 ( 1.658 0.000 0.000) 1.658 13.782 ( -1.341 0.000 0.000) 1.341 13.898 ( 2.085 0.000 0.000) 2.085 13.942 ( -0.019 0.000 0.000) 0.019 14.195 ( -0.752 0.000 0.000) 0.752 14.237 ( -4.244 0.000 0.000) 4.244 14.628 ( 11.172 0.000 0.000) 11.172 14.819 ( 2.250 0.000 0.000) 2.250 14.971 ( -3.358 0.000 0.000) 3.358 15.094 ( -7.051 0.000 0.000) 7.051 15.148 ( 2.673 0.000 0.000) 2.673 15.223 ( 0.162 0.000 0.000) 0.162 15.500 ( 3.129 0.000 0.000) 3.129 15.670 ( -2.965 0.000 0.000) 2.965 15.764 ( 3.200 0.000 0.000) 3.200 15.987 ( -4.469 0.000 0.000) 4.469 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -26.392 0.000 0.000) 26.392 1.306 ( 26.392 0.000 0.000) 26.392 1.565 ( -30.079 0.000 0.000) 30.079 1.565 ( 30.079 0.000 0.000) 30.079 2.393 ( -7.441 0.000 0.000) 7.441 2.393 ( 7.441 0.000 0.000) 7.441 2.500 ( -20.553 0.000 0.000) 20.553 2.500 ( 20.553 0.000 0.000) 20.553 2.599 ( -22.708 0.000 0.000) 22.708 2.599 ( 22.708 0.000 0.000) 22.708 2.871 ( -3.024 0.000 0.000) 3.024 2.871 ( 3.024 0.000 0.000) 3.024 3.279 ( -4.207 0.000 0.000) 4.207 3.279 ( 4.207 0.000 0.000) 4.207 3.346 ( -19.359 0.000 0.000) 19.359 3.346 ( 19.359 0.000 0.000) 19.359 3.454 ( -9.432 0.000 0.000) 9.432 3.454 ( 9.432 0.000 0.000) 9.432 3.784 ( -4.946 0.000 0.000) 4.946 3.784 ( 4.946 0.000 0.000) 4.946 3.908 ( -3.172 0.000 0.000) 3.172 3.908 ( 3.172 0.000 0.000) 3.172 3.984 ( -9.000 0.000 0.000) 9.000 3.984 ( 9.000 0.000 0.000) 9.000 4.297 ( -1.775 0.000 0.000) 1.775 4.297 ( 1.775 0.000 0.000) 1.775 4.324 ( -7.770 0.000 0.000) 7.770 4.324 ( 7.770 0.000 0.000) 7.770 4.462 ( -5.676 0.000 0.000) 5.676 4.462 ( 5.676 0.000 0.000) 5.676 4.650 ( -0.008 0.000 0.000) 0.008 4.650 ( 0.008 0.000 0.000) 0.008 4.994 ( -3.617 0.000 0.000) 3.617 4.994 ( 3.617 0.000 0.000) 3.617 5.105 ( -2.145 0.000 0.000) 2.145 5.105 ( 2.145 0.000 0.000) 2.145 5.144 ( -4.124 0.000 0.000) 4.124 5.144 ( 4.124 0.000 0.000) 4.124 5.364 ( -1.329 0.000 0.000) 1.329 5.364 ( 1.329 0.000 0.000) 1.329 5.395 ( -5.297 0.000 0.000) 5.297 5.395 ( 5.297 0.000 0.000) 5.297 5.613 ( -1.631 0.000 0.000) 1.631 5.613 ( 1.631 0.000 0.000) 1.631 5.715 ( -10.476 0.000 0.000) 10.476 5.715 ( 10.476 0.000 0.000) 10.476 5.892 ( -5.749 0.000 0.000) 5.749 5.892 ( 5.749 0.000 0.000) 5.749 5.924 ( -11.142 0.000 0.000) 11.142 5.924 ( 11.142 0.000 0.000) 11.142 6.167 ( -2.666 0.000 0.000) 2.666 6.167 ( 2.666 0.000 0.000) 2.666 6.214 ( -2.801 0.000 0.000) 2.801 6.214 ( 2.801 0.000 0.000) 2.801 6.646 ( -1.051 0.000 0.000) 1.051 6.646 ( 1.051 0.000 0.000) 1.051 6.874 ( -5.181 0.000 0.000) 5.181 6.874 ( 5.181 0.000 0.000) 5.181 7.036 ( -1.224 0.000 0.000) 1.224 7.036 ( 1.224 0.000 0.000) 1.224 7.861 ( -7.572 0.000 0.000) 7.572 7.861 ( 7.572 0.000 0.000) 7.572 7.862 ( -6.362 0.000 0.000) 6.362 7.862 ( 6.362 0.000 0.000) 6.362 8.281 ( -1.700 0.000 0.000) 1.700 8.281 ( 1.700 0.000 0.000) 1.700 8.295 ( -1.083 0.000 0.000) 1.083 8.295 ( 1.083 0.000 0.000) 1.083 8.467 ( -1.557 0.000 0.000) 1.557 8.467 ( 1.557 0.000 0.000) 1.557 8.574 ( -5.340 0.000 0.000) 5.340 8.574 ( 5.340 0.000 0.000) 5.340 9.105 ( -0.770 0.000 0.000) 0.770 9.105 ( 0.770 0.000 0.000) 0.770 9.763 ( -1.976 0.000 0.000) 1.976 9.763 ( 1.976 0.000 0.000) 1.976 9.911 ( -2.670 0.000 0.000) 2.670 9.911 ( 2.670 0.000 0.000) 2.670 10.133 ( -2.666 0.000 0.000) 2.666 10.133 ( 2.666 0.000 0.000) 2.666 10.222 ( -6.588 0.000 0.000) 6.588 10.222 ( 6.588 0.000 0.000) 6.588 10.618 ( -2.445 0.000 0.000) 2.445 10.618 ( 2.445 0.000 0.000) 2.445 10.867 ( -1.672 0.000 0.000) 1.672 10.867 ( 1.672 0.000 0.000) 1.672 10.945 ( -1.652 0.000 0.000) 1.652 10.945 ( 1.652 0.000 0.000) 1.652 11.017 ( -6.103 0.000 0.000) 6.103 11.017 ( 6.103 0.000 0.000) 6.103 11.481 ( -5.963 0.000 0.000) 5.963 11.481 ( 5.963 0.000 0.000) 5.963 11.706 ( -6.362 0.000 0.000) 6.362 11.706 ( 6.362 0.000 0.000) 6.362 11.735 ( -1.408 0.000 0.000) 1.408 11.735 ( 1.408 0.000 0.000) 1.408 13.126 ( -4.378 0.000 0.000) 4.378 13.126 ( 4.378 0.000 0.000) 4.378 13.164 ( -2.830 0.000 0.000) 2.830 13.164 ( 2.830 0.000 0.000) 2.830 13.320 ( -0.352 0.000 0.000) 0.352 13.320 ( 0.352 0.000 0.000) 0.352 13.513 ( -1.419 0.000 0.000) 1.419 13.513 ( 1.419 0.000 0.000) 1.419 13.742 ( -2.121 0.000 0.000) 2.121 13.742 ( 2.121 0.000 0.000) 2.121 13.934 ( -0.886 0.000 0.000) 0.886 13.934 ( 0.886 0.000 0.000) 0.886 14.186 ( -0.467 0.000 0.000) 0.467 14.186 ( 0.467 0.000 0.000) 0.467 14.885 ( -11.036 0.000 0.000) 11.036 14.885 ( 11.036 0.000 0.000) 11.036 14.887 ( -3.679 0.000 0.000) 3.679 14.887 ( 3.679 0.000 0.000) 3.679 15.206 ( -1.887 0.000 0.000) 1.887 15.206 ( 1.887 0.000 0.000) 1.887 15.586 ( -4.184 0.000 0.000) 4.184 15.586 ( 4.184 0.000 0.000) 4.184 15.866 ( -5.561 0.000 0.000) 5.561 15.866 ( 5.561 0.000 0.000) 5.561 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 32.241 0.000) 32.241 0.698 ( 0.000 36.932 0.000) 36.932 1.164 ( 0.000 60.761 0.000) 60.761 2.003 ( 0.000 -0.015 0.000) 0.015 2.221 ( 0.000 -11.154 0.000) 11.154 2.234 ( 0.000 5.476 0.000) 5.476 2.412 ( 0.000 -1.047 0.000) 1.047 2.463 ( 0.000 4.670 0.000) 4.670 2.613 ( 0.000 9.429 0.000) 9.429 2.762 ( 0.000 -0.436 0.000) 0.436 2.977 ( 0.000 -11.297 0.000) 11.297 3.049 ( 0.000 -21.471 0.000) 21.471 3.061 ( 0.000 3.142 0.000) 3.142 3.103 ( 0.000 -15.082 0.000) 15.082 3.361 ( 0.000 -20.400 0.000) 20.400 3.384 ( 0.000 -0.790 0.000) 0.790 3.645 ( 0.000 -10.088 0.000) 10.088 3.748 ( 0.000 -7.619 0.000) 7.619 3.818 ( 0.000 -8.480 0.000) 8.480 3.833 ( 0.000 -4.463 0.000) 4.463 3.902 ( 0.000 2.646 0.000) 2.646 3.909 ( 0.000 6.004 0.000) 6.004 4.142 ( 0.000 -0.637 0.000) 0.637 4.279 ( 0.000 3.389 0.000) 3.389 4.313 ( 0.000 4.062 0.000) 4.062 4.484 ( 0.000 -6.912 0.000) 6.912 4.559 ( 0.000 1.925 0.000) 1.925 4.563 ( 0.000 -0.412 0.000) 0.412 4.638 ( 0.000 9.639 0.000) 9.639 4.717 ( 0.000 20.559 0.000) 20.559 4.762 ( 0.000 -3.340 0.000) 3.340 4.779 ( 0.000 6.131 0.000) 6.131 4.869 ( 0.000 -2.755 0.000) 2.755 4.896 ( 0.000 0.893 0.000) 0.893 4.937 ( 0.000 -4.150 0.000) 4.150 5.065 ( 0.000 -3.625 0.000) 3.625 5.132 ( 0.000 1.918 0.000) 1.918 5.240 ( 0.000 10.309 0.000) 10.309 5.255 ( 0.000 -6.993 0.000) 6.993 5.317 ( 0.000 3.529 0.000) 3.529 5.333 ( 0.000 1.204 0.000) 1.204 5.401 ( 0.000 3.617 0.000) 3.617 5.423 ( 0.000 6.556 0.000) 6.556 5.441 ( 0.000 4.714 0.000) 4.714 5.549 ( 0.000 -1.743 0.000) 1.743 5.651 ( 0.000 4.686 0.000) 4.686 5.752 ( 0.000 -5.676 0.000) 5.676 5.771 ( 0.000 5.007 0.000) 5.007 5.978 ( 0.000 -3.888 0.000) 3.888 5.983 ( 0.000 -5.382 0.000) 5.382 6.044 ( 0.000 -5.778 0.000) 5.778 6.056 ( 0.000 -2.614 0.000) 2.614 6.220 ( 0.000 -3.480 0.000) 3.480 6.243 ( 0.000 -4.219 0.000) 4.219 6.617 ( 0.000 -0.248 0.000) 0.248 6.657 ( 0.000 -1.397 0.000) 1.397 6.785 ( 0.000 1.207 0.000) 1.207 6.787 ( 0.000 1.192 0.000) 1.192 7.011 ( 0.000 0.100 0.000) 0.100 7.075 ( 0.000 -0.824 0.000) 0.824 7.631 ( 0.000 2.574 0.000) 2.574 7.767 ( 0.000 9.037 0.000) 9.037 7.973 ( 0.000 -3.262 0.000) 3.262 8.124 ( 0.000 -0.569 0.000) 0.569 8.188 ( 0.000 0.321 0.000) 0.321 8.266 ( 0.000 -5.052 0.000) 5.052 8.337 ( 0.000 -2.010 0.000) 2.010 8.382 ( 0.000 -1.352 0.000) 1.352 8.456 ( 0.000 4.285 0.000) 4.285 8.494 ( 0.000 5.387 0.000) 5.387 8.511 ( 0.000 2.835 0.000) 2.835 8.739 ( 0.000 -1.168 0.000) 1.168 9.050 ( 0.000 -1.389 0.000) 1.389 9.083 ( 0.000 -2.244 0.000) 2.244 9.734 ( 0.000 3.397 0.000) 3.397 9.759 ( 0.000 6.667 0.000) 6.667 9.858 ( 0.000 3.951 0.000) 3.951 9.939 ( 0.000 1.781 0.000) 1.781 9.942 ( 0.000 -3.073 0.000) 3.073 10.019 ( 0.000 -3.164 0.000) 3.164 10.229 ( 0.000 5.910 0.000) 5.910 10.291 ( 0.000 5.726 0.000) 5.726 10.392 ( 0.000 -5.636 0.000) 5.636 10.581 ( 0.000 -11.021 0.000) 11.021 10.643 ( 0.000 -8.231 0.000) 8.231 10.775 ( 0.000 -7.482 0.000) 7.482 10.872 ( 0.000 3.485 0.000) 3.485 10.993 ( 0.000 9.972 0.000) 9.972 11.034 ( 0.000 10.305 0.000) 10.305 11.104 ( 0.000 -4.633 0.000) 4.633 11.277 ( 0.000 -5.288 0.000) 5.288 11.438 ( 0.000 -1.557 0.000) 1.557 11.619 ( 0.000 -11.728 0.000) 11.728 11.634 ( 0.000 -3.100 0.000) 3.100 11.814 ( 0.000 8.478 0.000) 8.478 11.960 ( 0.000 5.333 0.000) 5.333 13.008 ( 0.000 0.295 0.000) 0.295 13.072 ( 0.000 -1.159 0.000) 1.159 13.257 ( 0.000 0.989 0.000) 0.989 13.290 ( 0.000 1.372 0.000) 1.372 13.322 ( 0.000 3.666 0.000) 3.666 13.387 ( 0.000 6.067 0.000) 6.067 13.596 ( 0.000 1.981 0.000) 1.981 13.692 ( 0.000 1.623 0.000) 1.623 13.723 ( 0.000 -0.376 0.000) 0.376 13.860 ( 0.000 -0.854 0.000) 0.854 13.909 ( 0.000 -1.462 0.000) 1.462 13.979 ( 0.000 3.553 0.000) 3.553 14.166 ( 0.000 -4.147 0.000) 4.147 14.322 ( 0.000 -2.352 0.000) 2.352 14.383 ( 0.000 -4.899 0.000) 4.899 14.855 ( 0.000 -16.198 0.000) 16.198 15.083 ( 0.000 6.333 0.000) 6.333 15.223 ( 0.000 0.844 0.000) 0.844 15.329 ( 0.000 5.955 0.000) 5.955 15.439 ( 0.000 -2.280 0.000) 2.280 15.456 ( 0.000 0.765 0.000) 0.765 15.666 ( 0.000 -3.711 0.000) 3.711 15.773 ( 0.000 4.819 0.000) 4.819 16.053 ( 0.000 0.818 0.000) 0.818 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 19.930 25.957 0.000) 32.725 1.076 ( 28.301 20.851 0.000) 35.153 1.647 ( 34.452 29.174 0.000) 45.145 1.891 ( -13.272 6.339 0.000) 14.708 2.163 ( -10.235 2.423 0.000) 10.518 2.283 ( 9.191 5.712 0.000) 10.821 2.354 ( 0.100 -4.388 0.000) 4.389 2.484 ( -5.641 -4.879 0.000) 7.458 2.632 ( -6.080 -1.435 0.000) 6.247 2.706 ( -4.932 -10.949 0.000) 12.009 2.780 ( 0.809 -2.564 0.000) 2.688 2.966 ( 10.097 1.091 0.000) 10.156 3.134 ( -1.219 -11.535 0.000) 11.599 3.223 ( 0.625 -4.714 0.000) 4.756 3.342 ( 2.506 -9.051 0.000) 9.392 3.521 ( 7.931 -11.223 0.000) 13.742 3.574 ( -0.225 -17.072 0.000) 17.073 3.635 ( -10.048 -1.003 0.000) 10.098 3.670 ( -7.736 -8.683 0.000) 11.629 3.703 ( -5.461 6.272 0.000) 8.316 3.790 ( -3.274 -6.056 0.000) 6.884 3.868 ( -36.888 9.823 0.000) 38.173 4.082 ( 0.724 12.002 0.000) 12.024 4.108 ( 11.345 2.043 0.000) 11.527 4.191 ( 1.662 -2.656 0.000) 3.133 4.268 ( -6.778 3.817 0.000) 7.779 4.405 ( 5.378 8.748 0.000) 10.269 4.489 ( -10.911 1.976 0.000) 11.088 4.642 ( -3.649 -0.587 0.000) 3.696 4.673 ( -2.836 14.816 0.000) 15.085 4.743 ( -2.291 7.179 0.000) 7.535 4.822 ( -5.027 -1.161 0.000) 5.159 4.905 ( 2.440 -1.967 0.000) 3.135 5.019 ( -2.289 -5.151 0.000) 5.637 5.040 ( 2.682 -0.513 0.000) 2.731 5.152 ( -3.096 -6.884 0.000) 7.549 5.164 ( -0.460 4.686 0.000) 4.708 5.182 ( -3.005 6.263 0.000) 6.947 5.331 ( 12.197 0.933 0.000) 12.232 5.368 ( 9.228 1.973 0.000) 9.437 5.382 ( 3.077 6.392 0.000) 7.094 5.403 ( -0.430 1.440 0.000) 1.503 5.488 ( 6.497 1.235 0.000) 6.614 5.525 ( 4.752 -1.775 0.000) 5.072 5.580 ( -1.102 1.398 0.000) 1.780 5.633 ( 2.821 -0.988 0.000) 2.989 5.841 ( 5.269 4.478 0.000) 6.915 5.874 ( -4.641 -2.726 0.000) 5.382 5.897 ( 0.450 -6.963 0.000) 6.978 6.080 ( 2.253 -3.522 0.000) 4.181 6.093 ( 0.088 -3.101 0.000) 3.103 6.095 ( 3.226 -4.543 0.000) 5.572 6.189 ( -2.400 -3.286 0.000) 4.070 6.209 ( -2.226 -6.265 0.000) 6.649 6.623 ( 0.521 -0.321 0.000) 0.613 6.655 ( -0.301 -1.095 0.000) 1.135 6.789 ( 0.749 0.034 0.000) 0.750 6.867 ( 1.373 -6.675 0.000) 6.815 7.019 ( 0.559 0.065 0.000) 0.563 7.060 ( -1.126 -0.643 0.000) 1.296 7.692 ( 4.915 1.527 0.000) 5.146 7.832 ( 5.358 8.386 0.000) 9.952 7.933 ( -3.515 -2.356 0.000) 4.231 8.110 ( -4.302 3.772 0.000) 5.721 8.223 ( 3.349 -1.780 0.000) 3.793 8.262 ( -0.247 -3.352 0.000) 3.361 8.301 ( -3.092 1.400 0.000) 3.395 8.344 ( -0.383 -1.842 0.000) 1.882 8.423 ( -0.401 2.736 0.000) 2.765 8.503 ( -1.069 1.717 0.000) 2.022 8.543 ( 2.771 4.949 0.000) 5.672 8.696 ( -3.423 0.248 0.000) 3.431 9.067 ( 1.264 -1.292 0.000) 1.807 9.095 ( 0.441 -1.756 0.000) 1.811 9.751 ( 1.368 3.098 0.000) 3.386 9.811 ( 0.123 1.488 0.000) 1.494 9.869 ( 1.806 1.862 0.000) 2.594 9.932 ( -0.782 -2.205 0.000) 2.340 10.017 ( 2.165 -3.690 0.000) 4.278 10.128 ( 5.024 -1.682 0.000) 5.298 10.232 ( -4.753 1.838 0.000) 5.096 10.333 ( -4.482 -3.008 0.000) 5.398 10.397 ( 10.555 -8.076 0.000) 13.290 10.602 ( 2.207 -9.288 0.000) 9.547 10.617 ( -2.291 -6.811 0.000) 7.186 10.761 ( -1.964 -9.206 0.000) 9.413 10.918 ( 2.810 1.068 0.000) 3.006 10.995 ( -1.680 6.332 0.000) 6.551 11.079 ( 5.604 9.241 0.000) 10.807 11.143 ( 2.076 1.255 0.000) 2.426 11.309 ( 3.524 -5.617 0.000) 6.631 11.522 ( 5.373 -1.703 0.000) 5.637 11.559 ( -4.731 -6.746 0.000) 8.240 11.627 ( -0.744 -7.033 0.000) 7.072 11.806 ( -0.173 7.332 0.000) 7.334 11.924 ( -3.038 5.226 0.000) 6.045 13.042 ( 2.859 0.203 0.000) 2.866 13.097 ( 2.058 -1.069 0.000) 2.319 13.229 ( -2.391 0.556 0.000) 2.455 13.229 ( -3.951 1.086 0.000) 4.098 13.349 ( 1.177 4.124 0.000) 4.288 13.383 ( -0.402 5.968 0.000) 5.981 13.581 ( -0.697 2.728 0.000) 2.816 13.668 ( -4.638 5.790 0.000) 7.419 13.711 ( 1.512 1.501 0.000) 2.131 13.809 ( -4.014 2.844 0.000) 4.920 13.898 ( 2.719 -0.041 0.000) 2.719 13.973 ( -0.490 2.923 0.000) 2.964 14.162 ( -0.397 -3.472 0.000) 3.495 14.214 ( -4.161 -2.160 0.000) 4.688 14.548 ( 9.027 -7.001 0.000) 11.424 14.836 ( -2.009 -15.575 0.000) 15.704 15.029 ( -3.505 4.990 0.000) 6.098 15.072 ( -12.779 16.784 0.000) 21.095 15.265 ( 2.579 4.195 0.000) 4.924 15.328 ( -0.163 7.574 0.000) 7.575 15.468 ( 2.324 -2.653 0.000) 3.527 15.627 ( -3.261 -4.169 0.000) 5.293 15.794 ( 2.363 3.099 0.000) 3.897 16.000 ( -4.370 0.917 0.000) 4.465 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -20.903 14.839 0.000) 25.635 1.453 ( 20.903 14.839 0.000) 25.635 1.719 ( -25.256 14.690 0.000) 29.217 1.719 ( 25.256 14.690 0.000) 29.217 2.215 ( -13.990 -9.851 0.000) 17.110 2.215 ( 13.990 -9.851 0.000) 17.110 2.460 ( -6.347 -9.535 0.000) 11.454 2.460 ( 6.347 -9.535 0.000) 11.454 2.724 ( -8.224 7.852 0.000) 11.370 2.724 ( 8.224 7.852 0.000) 11.370 2.903 ( -22.381 6.295 0.000) 23.249 2.903 ( 22.381 6.295 0.000) 23.249 3.198 ( -7.273 -5.140 0.000) 8.906 3.198 ( 7.273 -5.140 0.000) 8.906 3.331 ( -15.275 -0.707 0.000) 15.292 3.331 ( 15.275 -0.707 0.000) 15.292 3.479 ( -8.153 -8.086 0.000) 11.483 3.479 ( 8.153 -8.086 0.000) 11.483 3.621 ( -1.018 -18.452 0.000) 18.480 3.621 ( 1.018 -18.452 0.000) 18.480 3.700 ( -3.518 -0.995 0.000) 3.656 3.700 ( 3.518 -0.995 0.000) 3.656 4.146 ( -4.022 9.288 0.000) 10.121 4.146 ( 4.022 9.288 0.000) 10.121 4.228 ( -2.383 -1.712 0.000) 2.934 4.228 ( 2.383 -1.712 0.000) 2.934 4.462 ( -8.707 6.189 0.000) 10.683 4.462 ( 8.707 6.189 0.000) 10.683 4.558 ( -2.356 1.675 0.000) 2.891 4.558 ( 2.356 1.675 0.000) 2.891 4.718 ( -0.699 10.542 0.000) 10.566 4.718 ( 0.699 10.542 0.000) 10.566 4.998 ( -5.280 0.284 0.000) 5.288 4.998 ( 5.280 0.284 0.000) 5.288 5.076 ( -4.630 -6.166 0.000) 7.711 5.076 ( 4.630 -6.166 0.000) 7.711 5.133 ( -1.605 3.868 0.000) 4.187 5.133 ( 1.605 3.868 0.000) 4.187 5.383 ( -1.140 1.847 0.000) 2.170 5.383 ( 1.140 1.847 0.000) 2.170 5.468 ( -4.126 6.932 0.000) 8.067 5.468 ( 4.126 6.932 0.000) 8.067 5.580 ( -1.014 -2.233 0.000) 2.452 5.580 ( 1.014 -2.233 0.000) 2.452 5.714 ( -8.636 -0.604 0.000) 8.657 5.714 ( 8.636 -0.604 0.000) 8.657 5.807 ( -9.291 -5.012 0.000) 10.557 5.807 ( 9.291 -5.012 0.000) 10.557 5.979 ( -6.874 1.804 0.000) 7.106 5.979 ( 6.874 1.804 0.000) 7.106 6.138 ( -2.580 -3.467 0.000) 4.322 6.138 ( 2.580 -3.467 0.000) 4.322 6.160 ( -2.351 -4.987 0.000) 5.514 6.160 ( 2.351 -4.987 0.000) 5.514 6.640 ( -0.911 -0.557 0.000) 1.068 6.640 ( 0.911 -0.557 0.000) 1.068 6.834 ( -2.818 -3.303 0.000) 4.342 6.834 ( 2.818 -3.303 0.000) 4.342 7.035 ( -0.938 -0.146 0.000) 0.949 7.035 ( 0.938 -0.146 0.000) 0.949 7.822 ( -5.980 -0.469 0.000) 5.998 7.822 ( 5.980 -0.469 0.000) 5.998 7.976 ( -6.767 6.924 0.000) 9.681 7.976 ( 6.767 6.924 0.000) 9.681 8.258 ( -0.058 -1.367 0.000) 1.369 8.258 ( 0.058 -1.367 0.000) 1.369 8.304 ( -2.372 -0.005 0.000) 2.372 8.304 ( 2.372 -0.005 0.000) 2.372 8.459 ( -2.563 -0.081 0.000) 2.564 8.459 ( 2.563 -0.081 0.000) 2.564 8.612 ( -3.525 3.297 0.000) 4.826 8.612 ( 3.525 3.297 0.000) 4.826 9.092 ( -0.713 -1.278 0.000) 1.463 9.092 ( 0.713 -1.278 0.000) 1.463 9.786 ( -1.605 2.345 0.000) 2.842 9.786 ( 1.605 2.345 0.000) 2.842 9.909 ( -1.306 0.230 0.000) 1.326 9.909 ( 1.306 0.230 0.000) 1.326 10.107 ( -5.617 -3.338 0.000) 6.534 10.107 ( 5.617 -3.338 0.000) 6.534 10.226 ( -4.568 -0.077 0.000) 4.569 10.226 ( 4.568 -0.077 0.000) 4.569 10.546 ( -4.040 -6.013 0.000) 7.245 10.546 ( 4.040 -6.013 0.000) 7.245 10.684 ( -4.362 -10.886 0.000) 11.727 10.684 ( 4.362 -10.886 0.000) 11.727 10.967 ( -1.443 3.204 0.000) 3.514 10.967 ( 1.443 3.204 0.000) 3.514 11.160 ( -1.159 6.889 0.000) 6.986 11.160 ( 1.159 6.889 0.000) 6.986 11.428 ( -6.310 -5.455 0.000) 8.341 11.428 ( 6.310 -5.455 0.000) 8.341 11.605 ( -1.683 -4.589 0.000) 4.888 11.605 ( 1.683 -4.589 0.000) 4.888 11.842 ( -3.459 5.512 0.000) 6.508 11.842 ( 3.459 5.512 0.000) 6.508 13.123 ( -3.443 -0.274 0.000) 3.454 13.123 ( 3.443 -0.274 0.000) 3.454 13.167 ( -2.185 0.270 0.000) 2.202 13.167 ( 2.185 0.270 0.000) 2.202 13.370 ( -0.731 5.257 0.000) 5.308 13.370 ( 0.731 5.257 0.000) 5.308 13.589 ( -1.752 5.730 0.000) 5.992 13.589 ( 1.752 5.730 0.000) 5.992 13.752 ( -2.011 1.239 0.000) 2.362 13.752 ( 2.011 1.239 0.000) 2.362 13.951 ( -1.638 1.592 0.000) 2.285 13.951 ( 1.638 1.592 0.000) 2.285 14.161 ( -0.751 -2.514 0.000) 2.624 14.161 ( 0.751 -2.514 0.000) 2.624 14.737 ( -7.004 -11.920 0.000) 13.825 14.737 ( 7.004 -11.920 0.000) 13.825 14.969 ( -0.848 7.418 0.000) 7.466 14.969 ( 0.848 7.418 0.000) 7.466 15.312 ( -1.423 7.995 0.000) 8.121 15.312 ( 1.423 7.995 0.000) 8.121 15.540 ( -3.919 -4.287 0.000) 5.808 15.540 ( 3.919 -4.287 0.000) 5.808 15.883 ( -5.259 1.389 0.000) 5.439 15.883 ( 5.259 1.389 0.000) 5.439 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 26.315 0.000) 26.315 1.350 ( 0.000 31.504 0.000) 31.504 1.991 ( 0.000 -11.725 0.000) 11.725 2.028 ( 0.000 3.378 0.000) 3.378 2.207 ( 0.000 47.747 0.000) 47.747 2.322 ( 0.000 -0.075 0.000) 0.075 2.324 ( 0.000 -8.231 0.000) 8.231 2.524 ( 0.000 -1.621 0.000) 1.621 2.734 ( 0.000 -1.994 0.000) 1.994 2.808 ( 0.000 -11.434 0.000) 11.434 2.809 ( 0.000 0.925 0.000) 0.925 2.836 ( 0.000 -3.693 0.000) 3.693 2.860 ( 0.000 16.708 0.000) 16.708 3.004 ( 0.000 -13.925 0.000) 13.925 3.161 ( 0.000 7.510 0.000) 7.510 3.195 ( 0.000 -15.953 0.000) 15.953 3.385 ( 0.000 -16.692 0.000) 16.692 3.526 ( 0.000 -19.093 0.000) 19.093 3.555 ( 0.000 -11.946 0.000) 11.946 3.822 ( 0.000 -15.843 0.000) 15.843 3.863 ( 0.000 4.766 0.000) 4.766 3.961 ( 0.000 0.176 0.000) 0.176 4.218 ( 0.000 5.158 0.000) 5.158 4.305 ( 0.000 3.703 0.000) 3.703 4.371 ( 0.000 3.441 0.000) 3.441 4.393 ( 0.000 -12.725 0.000) 12.725 4.499 ( 0.000 7.180 0.000) 7.180 4.533 ( 0.000 -3.011 0.000) 3.011 4.696 ( 0.000 -6.605 0.000) 6.605 4.811 ( 0.000 5.642 0.000) 5.642 4.841 ( 0.000 -0.050 0.000) 0.050 4.858 ( 0.000 1.214 0.000) 1.214 4.920 ( 0.000 -10.307 0.000) 10.307 4.983 ( 0.000 -4.899 0.000) 4.899 5.025 ( 0.000 14.876 0.000) 14.876 5.088 ( 0.000 18.103 0.000) 18.103 5.127 ( 0.000 8.789 0.000) 8.789 5.234 ( 0.000 4.936 0.000) 4.936 5.289 ( 0.000 -0.985 0.000) 0.985 5.390 ( 0.000 3.733 0.000) 3.733 5.426 ( 0.000 0.355 0.000) 0.355 5.467 ( 0.000 7.699 0.000) 7.699 5.529 ( 0.000 -2.512 0.000) 2.512 5.560 ( 0.000 7.591 0.000) 7.591 5.597 ( 0.000 -0.837 0.000) 0.837 5.600 ( 0.000 -0.379 0.000) 0.379 5.759 ( 0.000 5.820 0.000) 5.820 5.844 ( 0.000 -8.649 0.000) 8.649 5.867 ( 0.000 4.152 0.000) 4.152 5.877 ( 0.000 -6.625 0.000) 6.625 5.913 ( 0.000 -6.018 0.000) 6.018 5.993 ( 0.000 -3.385 0.000) 3.385 6.130 ( 0.000 -6.005 0.000) 6.005 6.136 ( 0.000 -6.860 0.000) 6.860 6.612 ( 0.000 -0.192 0.000) 0.192 6.631 ( 0.000 -1.272 0.000) 1.272 6.809 ( 0.000 0.996 0.000) 0.996 6.809 ( 0.000 1.071 0.000) 1.071 7.016 ( 0.000 0.516 0.000) 0.516 7.054 ( 0.000 -1.265 0.000) 1.265 7.708 ( 0.000 5.144 0.000) 5.144 7.898 ( 0.000 -4.599 0.000) 4.599 7.948 ( 0.000 9.687 0.000) 9.687 8.118 ( 0.000 0.199 0.000) 0.199 8.178 ( 0.000 -1.876 0.000) 1.876 8.185 ( 0.000 -3.557 0.000) 3.557 8.312 ( 0.000 -0.625 0.000) 0.625 8.347 ( 0.000 -2.188 0.000) 2.188 8.543 ( 0.000 4.969 0.000) 4.969 8.569 ( 0.000 2.853 0.000) 2.853 8.576 ( 0.000 3.099 0.000) 3.099 8.702 ( 0.000 -2.846 0.000) 2.846 9.023 ( 0.000 -1.233 0.000) 1.233 9.039 ( 0.000 -2.086 0.000) 2.086 9.821 ( 0.000 5.660 0.000) 5.660 9.896 ( 0.000 -1.535 0.000) 1.535 9.900 ( 0.000 6.216 0.000) 6.216 9.914 ( 0.000 -0.636 0.000) 0.636 9.995 ( 0.000 5.232 0.000) 5.232 10.021 ( 0.000 6.285 0.000) 6.285 10.275 ( 0.000 -6.492 0.000) 6.492 10.342 ( 0.000 -2.884 0.000) 2.884 10.362 ( 0.000 8.101 0.000) 8.101 10.398 ( 0.000 -7.851 0.000) 7.851 10.474 ( 0.000 -9.441 0.000) 9.441 10.631 ( 0.000 -6.389 0.000) 6.389 10.956 ( 0.000 5.221 0.000) 5.221 11.034 ( 0.000 -0.898 0.000) 0.898 11.163 ( 0.000 8.223 0.000) 8.223 11.184 ( 0.000 -4.678 0.000) 4.678 11.230 ( 0.000 10.237 0.000) 10.237 11.384 ( 0.000 -13.080 0.000) 13.080 11.391 ( 0.000 -3.533 0.000) 3.533 11.549 ( 0.000 -6.022 0.000) 6.022 11.955 ( 0.000 5.962 0.000) 5.962 12.027 ( 0.000 1.874 0.000) 1.874 13.016 ( 0.000 0.580 0.000) 0.580 13.049 ( 0.000 -1.194 0.000) 1.194 13.281 ( 0.000 1.414 0.000) 1.414 13.310 ( 0.000 0.460 0.000) 0.460 13.413 ( 0.000 5.763 0.000) 5.763 13.522 ( 0.000 5.435 0.000) 5.435 13.651 ( 0.000 5.768 0.000) 5.768 13.728 ( 0.000 1.032 0.000) 1.032 13.731 ( 0.000 2.211 0.000) 2.211 13.837 ( 0.000 -1.350 0.000) 1.350 13.872 ( 0.000 -2.361 0.000) 2.361 14.047 ( 0.000 -8.730 0.000) 8.730 14.062 ( 0.000 5.168 0.000) 5.168 14.257 ( 0.000 -4.442 0.000) 4.442 14.313 ( 0.000 -1.348 0.000) 1.348 14.564 ( 0.000 -14.147 0.000) 14.147 15.212 ( 0.000 6.772 0.000) 6.772 15.252 ( 0.000 2.373 0.000) 2.373 15.371 ( 0.000 -0.739 0.000) 0.739 15.381 ( 0.000 -3.708 0.000) 3.708 15.478 ( 0.000 1.588 0.000) 1.588 15.588 ( 0.000 -4.219 0.000) 4.219 15.889 ( 0.000 6.772 0.000) 6.772 16.052 ( 0.000 -1.268 0.000) 1.268 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 21.182 18.772 0.000) 28.303 1.491 ( 11.513 27.604 0.000) 29.908 1.972 ( -2.897 8.192 0.000) 8.689 2.076 ( 6.590 -8.529 0.000) 10.778 2.210 ( -4.336 16.273 0.000) 16.841 2.257 ( -6.216 -9.090 0.000) 11.012 2.499 ( -17.157 11.289 0.000) 20.537 2.516 ( -11.643 -6.241 0.000) 13.210 2.554 ( 19.717 19.909 0.000) 28.021 2.589 ( 5.817 -4.350 0.000) 7.264 2.788 ( -2.513 -2.294 0.000) 3.403 2.926 ( 0.152 -8.819 0.000) 8.820 3.006 ( 10.835 8.136 0.000) 13.549 3.047 ( 3.866 -9.127 0.000) 9.912 3.204 ( -0.366 -19.085 0.000) 19.088 3.215 ( -4.986 -12.847 0.000) 13.781 3.296 ( 3.850 0.671 0.000) 3.908 3.406 ( -5.844 -16.215 0.000) 17.236 3.561 ( -6.133 -9.438 0.000) 11.256 3.716 ( -4.049 -2.602 0.000) 4.813 3.787 ( -8.015 1.904 0.000) 8.238 4.040 ( 10.240 -12.915 0.000) 16.482 4.104 ( -24.348 13.178 0.000) 27.685 4.182 ( 0.369 3.151 0.000) 3.172 4.315 ( 0.911 11.384 0.000) 11.420 4.322 ( -4.109 1.013 0.000) 4.232 4.467 ( -3.776 -1.419 0.000) 4.034 4.523 ( 0.039 0.337 0.000) 0.339 4.627 ( -9.024 3.375 0.000) 9.634 4.644 ( 0.036 -6.550 0.000) 6.550 4.847 ( -5.347 -7.584 0.000) 9.280 4.888 ( 4.320 1.976 0.000) 4.751 4.896 ( 0.219 -8.937 0.000) 8.940 4.944 ( -1.101 1.541 0.000) 1.893 5.081 ( -2.873 14.938 0.000) 15.211 5.130 ( 2.609 6.757 0.000) 7.244 5.303 ( -2.687 6.912 0.000) 7.416 5.303 ( 3.063 5.615 0.000) 6.396 5.379 ( 6.966 3.930 0.000) 7.998 5.410 ( 7.584 3.170 0.000) 8.220 5.427 ( 1.490 0.286 0.000) 1.517 5.438 ( 4.559 -0.046 0.000) 4.559 5.506 ( 2.309 -0.301 0.000) 2.328 5.595 ( 2.522 3.170 0.000) 4.051 5.597 ( 0.589 7.846 0.000) 7.868 5.711 ( -2.577 5.260 0.000) 5.857 5.752 ( 3.402 -8.413 0.000) 9.075 5.792 ( -2.161 -5.777 0.000) 6.168 5.909 ( 2.769 3.372 0.000) 4.363 5.968 ( 3.248 -6.337 0.000) 7.121 5.987 ( 5.103 -7.049 0.000) 8.702 6.022 ( 2.498 -3.579 0.000) 4.364 6.078 ( -4.414 -6.317 0.000) 7.706 6.119 ( -1.342 -5.127 0.000) 5.300 6.616 ( 0.374 -0.283 0.000) 0.469 6.632 ( 0.052 -1.193 0.000) 1.195 6.792 ( -1.060 0.192 0.000) 1.078 6.803 ( -0.692 -1.198 0.000) 1.383 7.022 ( 0.404 0.266 0.000) 0.484 7.045 ( -0.672 -0.874 0.000) 1.102 7.746 ( 3.032 3.677 0.000) 4.766 7.881 ( -1.564 -3.235 0.000) 3.593 7.992 ( 3.523 7.990 0.000) 8.732 8.136 ( -0.655 -0.323 0.000) 0.731 8.203 ( 3.121 -0.717 0.000) 3.202 8.210 ( 1.756 -2.068 0.000) 2.713 8.310 ( -2.504 -0.337 0.000) 2.526 8.310 ( -0.094 -1.244 0.000) 1.248 8.486 ( -2.568 3.458 0.000) 4.307 8.536 ( -2.832 1.297 0.000) 3.115 8.627 ( 2.405 3.763 0.000) 4.466 8.697 ( -0.557 -0.334 0.000) 0.650 9.041 ( 1.344 -1.187 0.000) 1.793 9.056 ( 1.019 -1.976 0.000) 2.223 9.821 ( 0.191 3.556 0.000) 3.561 9.855 ( 0.662 1.863 0.000) 1.977 9.912 ( 1.253 0.913 0.000) 1.550 9.920 ( -1.900 4.307 0.000) 4.708 9.995 ( -0.467 0.780 0.000) 0.909 10.101 ( 5.245 1.824 0.000) 5.553 10.181 ( -6.787 -5.836 0.000) 8.951 10.294 ( -4.418 -2.835 0.000) 5.249 10.349 ( 1.393 -4.917 0.000) 5.111 10.446 ( -1.105 -11.781 0.000) 11.833 10.502 ( 5.543 2.681 0.000) 6.157 10.658 ( -0.030 -1.010 0.000) 1.010 10.983 ( 2.423 5.043 0.000) 5.595 11.049 ( 0.812 -0.318 0.000) 0.872 11.166 ( 0.315 -1.838 0.000) 1.865 11.203 ( 1.554 1.874 0.000) 2.434 11.251 ( 2.034 3.503 0.000) 4.050 11.394 ( 0.575 -6.770 0.000) 6.795 11.486 ( 5.823 -2.388 0.000) 6.294 11.523 ( -1.090 -5.578 0.000) 5.684 11.929 ( -1.835 5.259 0.000) 5.570 11.991 ( -3.029 1.902 0.000) 3.576 13.048 ( 2.704 0.466 0.000) 2.744 13.076 ( 2.241 -1.060 0.000) 2.479 13.240 ( -3.179 0.632 0.000) 3.241 13.247 ( -4.294 0.623 0.000) 4.339 13.452 ( 2.369 6.384 0.000) 6.809 13.532 ( 0.074 8.345 0.000) 8.345 13.627 ( -0.588 2.288 0.000) 2.362 13.713 ( -1.543 1.160 0.000) 1.930 13.749 ( 1.317 2.371 0.000) 2.712 13.836 ( -2.552 -0.345 0.000) 2.575 13.892 ( 3.785 -0.623 0.000) 3.836 14.020 ( -1.608 -1.489 0.000) 2.191 14.087 ( 1.221 -1.150 0.000) 1.678 14.175 ( -3.641 -1.539 0.000) 3.953 14.417 ( 5.383 -5.945 0.000) 8.020 14.557 ( -0.824 -13.297 0.000) 13.322 15.129 ( -3.004 5.579 0.000) 6.336 15.285 ( -9.255 5.098 0.000) 10.566 15.359 ( 5.139 5.227 0.000) 7.330 15.360 ( -1.287 -1.337 0.000) 1.856 15.461 ( 3.288 1.100 0.000) 3.467 15.535 ( -4.073 -5.257 0.000) 6.651 15.872 ( -0.605 4.932 0.000) 4.969 16.002 ( -4.042 -1.000 0.000) 4.164 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -12.645 19.006 0.000) 22.828 1.791 ( 12.645 19.006 0.000) 22.828 1.964 ( -20.341 4.611 0.000) 20.857 1.964 ( 20.341 4.611 0.000) 20.857 2.190 ( -3.185 13.760 0.000) 14.123 2.190 ( 3.185 13.760 0.000) 14.123 2.274 ( -6.981 -9.124 0.000) 11.489 2.274 ( 6.981 -9.124 0.000) 11.489 2.732 ( -3.916 -5.326 0.000) 6.610 2.732 ( 3.916 -5.326 0.000) 6.610 2.902 ( -1.997 -8.527 0.000) 8.758 2.902 ( 1.997 -8.527 0.000) 8.758 3.150 ( -3.956 -18.827 0.000) 19.238 3.150 ( 3.956 -18.827 0.000) 19.238 3.231 ( -18.646 -1.100 0.000) 18.678 3.231 ( 18.646 -1.100 0.000) 18.678 3.331 ( -1.965 -6.483 0.000) 6.775 3.331 ( 1.965 -6.483 0.000) 6.775 3.441 ( -20.173 12.423 0.000) 23.691 3.441 ( 20.173 12.423 0.000) 23.691 3.744 ( -2.878 3.933 0.000) 4.873 3.744 ( 2.878 3.933 0.000) 4.873 4.254 ( -3.386 3.272 0.000) 4.709 4.254 ( 3.386 3.272 0.000) 4.709 4.323 ( -0.571 6.564 0.000) 6.589 4.323 ( 0.571 6.564 0.000) 6.589 4.363 ( -9.757 -11.541 0.000) 15.113 4.363 ( 9.757 -11.541 0.000) 15.113 4.569 ( -1.345 0.608 0.000) 1.476 4.569 ( 1.345 0.608 0.000) 1.476 4.862 ( -2.719 -12.084 0.000) 12.386 4.862 ( 2.719 -12.084 0.000) 12.386 4.956 ( -0.895 10.363 0.000) 10.402 4.956 ( 0.895 10.363 0.000) 10.402 5.100 ( -5.474 6.816 0.000) 8.742 5.100 ( 5.474 6.816 0.000) 8.742 5.255 ( -0.332 7.648 0.000) 7.655 5.255 ( 0.332 7.648 0.000) 7.655 5.422 ( -0.668 1.963 0.000) 2.074 5.422 ( 0.668 1.963 0.000) 2.074 5.535 ( -1.122 -0.825 0.000) 1.392 5.535 ( 1.122 -0.825 0.000) 1.392 5.630 ( -1.296 7.514 0.000) 7.625 5.630 ( 1.296 7.514 0.000) 7.625 5.677 ( -6.064 -3.406 0.000) 6.955 5.677 ( 6.064 -3.406 0.000) 6.955 5.736 ( -6.457 -2.073 0.000) 6.781 5.736 ( 6.457 -2.073 0.000) 6.781 5.977 ( -3.467 -2.146 0.000) 4.078 5.977 ( 3.467 -2.146 0.000) 4.078 6.023 ( -1.365 -6.436 0.000) 6.579 6.023 ( 1.365 -6.436 0.000) 6.579 6.080 ( -2.123 -3.908 0.000) 4.447 6.080 ( 2.123 -3.908 0.000) 4.447 6.628 ( -0.482 -0.664 0.000) 0.820 6.628 ( 0.482 -0.664 0.000) 0.820 6.784 ( -0.539 -1.761 0.000) 1.842 6.784 ( 0.539 -1.761 0.000) 1.842 7.031 ( -0.481 -0.165 0.000) 0.508 7.031 ( 0.481 -0.165 0.000) 0.508 7.824 ( -3.412 0.347 0.000) 3.429 7.824 ( 3.412 0.347 0.000) 3.429 8.081 ( -3.779 3.783 0.000) 5.347 8.081 ( 3.779 3.783 0.000) 5.347 8.242 ( -0.817 -0.312 0.000) 0.874 8.242 ( 0.817 -0.312 0.000) 0.874 8.296 ( -1.502 -0.584 0.000) 1.612 8.296 ( 1.502 -0.584 0.000) 1.612 8.472 ( -1.782 1.132 0.000) 2.111 8.472 ( 1.782 1.132 0.000) 2.111 8.672 ( -1.621 2.693 0.000) 3.144 8.672 ( 1.621 2.693 0.000) 3.144 9.065 ( -0.421 -1.387 0.000) 1.450 9.065 ( 0.421 -1.387 0.000) 1.450 9.840 ( -1.580 3.082 0.000) 3.464 9.840 ( 1.580 3.082 0.000) 3.464 9.935 ( -0.186 2.210 0.000) 2.217 9.935 ( 0.186 2.210 0.000) 2.217 10.024 ( -5.399 -4.450 0.000) 6.996 10.024 ( 5.399 -4.450 0.000) 6.996 10.198 ( -3.877 -1.626 0.000) 4.204 10.198 ( 3.877 -1.626 0.000) 4.204 10.405 ( -2.673 -10.070 0.000) 10.419 10.405 ( 2.673 -10.070 0.000) 10.419 10.608 ( -3.785 3.275 0.000) 5.005 10.608 ( 3.785 3.275 0.000) 5.005 11.041 ( -1.895 3.614 0.000) 4.081 11.041 ( 1.895 3.614 0.000) 4.081 11.194 ( -1.612 -3.373 0.000) 3.738 11.194 ( 1.612 -3.373 0.000) 3.738 11.338 ( -4.846 -2.450 0.000) 5.430 11.338 ( 4.846 -2.450 0.000) 5.430 11.551 ( -1.040 -1.394 0.000) 1.739 11.551 ( 1.040 -1.394 0.000) 1.739 11.921 ( -2.008 2.880 0.000) 3.511 11.921 ( 2.008 2.880 0.000) 3.511 13.118 ( -1.524 -0.243 0.000) 1.544 13.118 ( 1.524 -0.243 0.000) 1.544 13.172 ( -0.759 0.252 0.000) 0.800 13.172 ( 0.759 0.252 0.000) 0.800 13.503 ( -2.119 8.344 0.000) 8.609 13.503 ( 2.119 8.344 0.000) 8.609 13.659 ( -2.744 1.441 0.000) 3.100 13.659 ( 2.744 1.441 0.000) 3.100 13.785 ( -1.893 1.777 0.000) 2.597 13.785 ( 1.893 1.777 0.000) 2.597 13.971 ( -2.907 -0.537 0.000) 2.956 13.971 ( 2.907 -0.537 0.000) 2.956 14.116 ( -1.697 -1.004 0.000) 1.972 14.116 ( 1.697 -1.004 0.000) 1.972 14.516 ( -3.079 -10.492 0.000) 10.934 14.516 ( 3.079 -10.492 0.000) 10.934 15.123 ( -3.261 8.176 0.000) 8.802 15.123 ( 3.261 8.176 0.000) 8.802 15.400 ( -2.731 -2.459 0.000) 3.675 15.400 ( 2.731 -2.459 0.000) 3.675 15.485 ( -0.893 1.936 0.000) 2.132 15.485 ( 0.893 1.936 0.000) 2.132 15.904 ( -3.673 0.678 0.000) 3.735 15.904 ( 3.673 0.678 0.000) 3.735 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -13.217 0.000) 13.217 1.562 ( 0.000 13.217 0.000) 13.217 2.061 ( 0.000 -19.621 0.000) 19.621 2.061 ( 0.000 19.621 0.000) 19.621 2.155 ( 0.000 -6.708 0.000) 6.708 2.155 ( 0.000 6.708 0.000) 6.708 2.501 ( 0.000 -2.407 0.000) 2.407 2.501 ( 0.000 2.407 0.000) 2.407 2.787 ( 0.000 -4.462 0.000) 4.462 2.787 ( 0.000 4.462 0.000) 4.462 2.935 ( 0.000 -7.258 0.000) 7.258 2.935 ( 0.000 7.258 0.000) 7.258 2.977 ( 0.000 -5.618 0.000) 5.618 2.977 ( 0.000 5.618 0.000) 5.618 3.145 ( 0.000 -18.854 0.000) 18.854 3.145 ( 0.000 18.854 0.000) 18.854 3.333 ( 0.000 -28.553 0.000) 28.553 3.333 ( 0.000 28.553 0.000) 28.553 3.337 ( 0.000 -11.000 0.000) 11.000 3.337 ( 0.000 11.000 0.000) 11.000 3.936 ( 0.000 -2.655 0.000) 2.655 3.936 ( 0.000 2.655 0.000) 2.655 4.254 ( 0.000 -2.875 0.000) 2.875 4.254 ( 0.000 2.875 0.000) 2.875 4.454 ( 0.000 -5.026 0.000) 5.026 4.454 ( 0.000 5.026 0.000) 5.026 4.513 ( 0.000 -12.960 0.000) 12.960 4.513 ( 0.000 12.960 0.000) 12.960 4.674 ( 0.000 -11.758 0.000) 11.758 4.674 ( 0.000 11.758 0.000) 11.758 4.853 ( 0.000 -0.738 0.000) 0.738 4.853 ( 0.000 0.738 0.000) 0.738 4.896 ( 0.000 -4.182 0.000) 4.182 4.896 ( 0.000 4.182 0.000) 4.182 5.235 ( 0.000 -2.338 0.000) 2.338 5.235 ( 0.000 2.338 0.000) 2.338 5.323 ( 0.000 -14.443 0.000) 14.443 5.323 ( 0.000 14.443 0.000) 14.443 5.374 ( 0.000 -5.982 0.000) 5.982 5.374 ( 0.000 5.982 0.000) 5.982 5.445 ( 0.000 -2.689 0.000) 2.689 5.445 ( 0.000 2.689 0.000) 2.689 5.465 ( 0.000 -5.910 0.000) 5.910 5.465 ( 0.000 5.910 0.000) 5.910 5.693 ( 0.000 -4.164 0.000) 4.164 5.693 ( 0.000 4.164 0.000) 4.164 5.777 ( 0.000 -3.833 0.000) 3.833 5.777 ( 0.000 3.833 0.000) 3.833 5.790 ( 0.000 -1.365 0.000) 1.365 5.790 ( 0.000 1.365 0.000) 1.365 6.004 ( 0.000 -7.188 0.000) 7.188 6.004 ( 0.000 7.188 0.000) 7.188 6.008 ( 0.000 -5.761 0.000) 5.761 6.008 ( 0.000 5.761 0.000) 5.761 6.614 ( 0.000 -0.464 0.000) 0.464 6.614 ( 0.000 0.464 0.000) 0.464 6.819 ( 0.000 -0.032 0.000) 0.032 6.819 ( 0.000 0.032 0.000) 0.032 7.031 ( 0.000 -1.104 0.000) 1.104 7.031 ( 0.000 1.104 0.000) 1.104 7.806 ( 0.000 -5.186 0.000) 5.186 7.806 ( 0.000 5.186 0.000) 5.186 8.102 ( 0.000 -6.384 0.000) 6.384 8.102 ( 0.000 6.384 0.000) 6.384 8.136 ( 0.000 -1.764 0.000) 1.764 8.136 ( 0.000 1.764 0.000) 1.764 8.315 ( 0.000 -1.002 0.000) 1.002 8.315 ( 0.000 1.002 0.000) 1.002 8.602 ( 0.000 -0.367 0.000) 0.367 8.602 ( 0.000 0.367 0.000) 0.367 8.633 ( 0.000 -4.485 0.000) 4.485 8.633 ( 0.000 4.485 0.000) 4.485 9.014 ( 0.000 -0.459 0.000) 0.459 9.014 ( 0.000 0.459 0.000) 0.459 9.889 ( 0.000 -0.811 0.000) 0.811 9.889 ( 0.000 0.811 0.000) 0.811 9.917 ( 0.000 -3.435 0.000) 3.435 9.917 ( 0.000 3.435 0.000) 3.435 10.144 ( 0.000 -8.327 0.000) 8.327 10.144 ( 0.000 8.327 0.000) 8.327 10.194 ( 0.000 -10.476 0.000) 10.476 10.194 ( 0.000 10.476 0.000) 10.476 10.340 ( 0.000 -2.857 0.000) 2.857 10.340 ( 0.000 2.857 0.000) 2.857 10.513 ( 0.000 -7.475 0.000) 7.475 10.513 ( 0.000 7.475 0.000) 7.475 11.047 ( 0.000 -3.090 0.000) 3.090 11.047 ( 0.000 3.090 0.000) 3.090 11.169 ( 0.000 -7.677 0.000) 7.677 11.169 ( 0.000 7.677 0.000) 7.677 11.295 ( 0.000 -5.732 0.000) 5.732 11.295 ( 0.000 5.732 0.000) 5.732 11.413 ( 0.000 -8.285 0.000) 8.285 11.413 ( 0.000 8.285 0.000) 8.285 12.028 ( 0.000 -1.869 0.000) 1.869 12.028 ( 0.000 1.869 0.000) 1.869 13.030 ( 0.000 -0.880 0.000) 0.880 13.030 ( 0.000 0.880 0.000) 0.880 13.305 ( 0.000 -0.953 0.000) 0.953 13.305 ( 0.000 0.953 0.000) 0.953 13.514 ( 0.000 -4.304 0.000) 4.304 13.514 ( 0.000 4.304 0.000) 4.304 13.751 ( 0.000 -0.661 0.000) 0.661 13.751 ( 0.000 0.661 0.000) 0.661 13.832 ( 0.000 -1.368 0.000) 1.368 13.832 ( 0.000 1.368 0.000) 1.368 13.845 ( 0.000 -12.350 0.000) 12.350 13.845 ( 0.000 12.350 0.000) 12.350 14.163 ( 0.000 -5.484 0.000) 5.484 14.163 ( 0.000 5.484 0.000) 5.484 14.363 ( 0.000 -6.932 0.000) 6.932 14.363 ( 0.000 6.932 0.000) 6.932 15.310 ( 0.000 -3.698 0.000) 3.698 15.310 ( 0.000 3.698 0.000) 3.698 15.319 ( 0.000 -4.534 0.000) 4.534 15.319 ( 0.000 4.534 0.000) 4.534 15.520 ( 0.000 -2.994 0.000) 2.994 15.520 ( 0.000 2.994 0.000) 2.994 15.998 ( 0.000 -4.553 0.000) 4.553 15.998 ( 0.000 4.553 0.000) 4.553 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 12.492 -7.513 0.000) 14.578 1.726 ( 12.492 7.513 0.000) 14.578 2.096 ( 0.231 -0.446 0.000) 0.502 2.096 ( 0.231 0.446 0.000) 0.502 2.150 ( 1.414 -7.484 0.000) 7.616 2.150 ( 1.414 7.484 0.000) 7.616 2.500 ( -0.536 -0.422 0.000) 0.682 2.500 ( -0.536 0.422 0.000) 0.682 2.724 ( -4.778 -2.909 0.000) 5.594 2.724 ( -4.778 2.909 0.000) 5.594 2.801 ( -8.244 -3.710 0.000) 9.041 2.801 ( -8.244 3.710 0.000) 9.041 2.966 ( -2.306 -0.379 0.000) 2.337 2.966 ( -2.306 0.379 0.000) 2.337 3.109 ( -0.532 -14.328 0.000) 14.338 3.109 ( -0.532 14.328 0.000) 14.338 3.346 ( 5.186 -15.171 0.000) 16.033 3.346 ( 5.186 15.171 0.000) 16.033 3.506 ( 5.668 -17.551 0.000) 18.444 3.506 ( 5.668 17.551 0.000) 18.444 3.819 ( -4.054 -2.968 0.000) 5.024 3.819 ( -4.054 2.968 0.000) 5.024 4.249 ( 1.057 -2.241 0.000) 2.478 4.249 ( 1.057 2.241 0.000) 2.478 4.354 ( -12.211 -5.470 0.000) 13.380 4.354 ( -12.211 5.470 0.000) 13.380 4.545 ( 1.943 -4.204 0.000) 4.631 4.545 ( 1.943 4.204 0.000) 4.631 4.605 ( -3.785 -11.039 0.000) 11.670 4.605 ( -3.785 11.039 0.000) 11.670 4.726 ( -7.725 -3.045 0.000) 8.303 4.726 ( -7.725 3.045 0.000) 8.303 4.948 ( 6.057 -3.045 0.000) 6.780 4.948 ( 6.057 3.045 0.000) 6.780 5.260 ( -3.440 -0.809 0.000) 3.534 5.260 ( -3.440 0.809 0.000) 3.534 5.375 ( -1.053 -0.000 0.000) 1.053 5.375 ( -1.053 0.000 0.000) 1.053 5.396 ( 6.879 -0.382 0.000) 6.890 5.396 ( 6.879 0.382 0.000) 6.890 5.437 ( 1.785 -0.332 0.000) 1.816 5.437 ( 1.785 0.332 0.000) 1.816 5.581 ( 6.460 -9.133 0.000) 11.187 5.581 ( 6.460 9.133 0.000) 11.187 5.686 ( -0.571 -5.291 0.000) 5.322 5.686 ( -0.571 5.291 0.000) 5.322 5.727 ( -0.088 -2.134 0.000) 2.136 5.727 ( -0.088 2.134 0.000) 2.136 5.905 ( 3.696 -0.025 0.000) 3.696 5.905 ( 3.696 0.025 0.000) 3.696 5.975 ( -0.945 -3.832 0.000) 3.947 5.975 ( -0.945 3.832 0.000) 3.947 6.020 ( 0.443 -2.862 0.000) 2.896 6.020 ( 0.443 2.862 0.000) 2.896 6.616 ( 0.218 -0.115 0.000) 0.247 6.616 ( 0.218 0.115 0.000) 0.247 6.795 ( -1.770 -0.007 0.000) 1.770 6.795 ( -1.770 0.007 0.000) 1.770 7.030 ( -0.059 -0.513 0.000) 0.516 7.030 ( -0.059 0.513 0.000) 0.516 7.816 ( 0.749 -3.707 0.000) 3.782 7.816 ( 0.749 3.707 0.000) 3.782 8.104 ( 0.535 -3.663 0.000) 3.702 8.104 ( 0.535 3.663 0.000) 3.702 8.191 ( 3.555 -0.019 0.000) 3.555 8.191 ( 3.555 0.019 0.000) 3.555 8.301 ( -0.942 -0.008 0.000) 0.942 8.301 ( -0.942 0.008 0.000) 0.942 8.536 ( -3.530 -0.568 0.000) 3.575 8.536 ( -3.530 0.568 0.000) 3.575 8.678 ( 1.824 -1.768 0.000) 2.540 8.678 ( 1.824 1.768 0.000) 2.540 9.032 ( 1.268 -0.229 0.000) 1.288 9.032 ( 1.268 0.229 0.000) 1.288 9.857 ( -0.296 -0.097 0.000) 0.312 9.857 ( -0.296 0.097 0.000) 0.312 9.964 ( 1.558 -0.652 0.000) 1.689 9.964 ( 1.558 0.652 0.000) 1.689 10.057 ( -5.706 -6.629 0.000) 8.746 10.057 ( -5.706 6.629 0.000) 8.746 10.225 ( 1.141 -9.755 0.000) 9.821 10.225 ( 1.141 9.755 0.000) 9.821 10.264 ( -2.953 -0.783 0.000) 3.055 10.264 ( -2.953 0.783 0.000) 3.055 10.611 ( 4.821 -5.046 0.000) 6.979 10.611 ( 4.821 5.046 0.000) 6.979 11.083 ( 1.283 -4.726 0.000) 4.897 11.083 ( 1.283 4.726 0.000) 4.897 11.106 ( -0.965 -6.551 0.000) 6.622 11.106 ( -0.965 6.551 0.000) 6.622 11.359 ( -1.284 -2.357 0.000) 2.684 11.359 ( -1.284 2.357 0.000) 2.684 11.443 ( 6.059 -0.011 0.000) 6.059 11.443 ( 6.059 0.011 0.000) 6.059 11.993 ( -2.722 -1.629 0.000) 3.172 11.993 ( -2.722 1.629 0.000) 3.172 13.059 ( 2.484 -0.504 0.000) 2.535 13.059 ( 2.484 0.504 0.000) 2.535 13.250 ( -3.991 -0.045 0.000) 3.991 13.250 ( -3.991 0.045 0.000) 3.991 13.558 ( 3.141 -3.462 0.000) 4.675 13.558 ( 3.141 3.462 0.000) 4.675 13.714 ( -3.068 -2.250 0.000) 3.804 13.714 ( -3.068 2.250 0.000) 3.804 13.801 ( -0.187 -3.161 0.000) 3.166 13.801 ( -0.187 3.161 0.000) 3.166 13.910 ( 2.730 -4.491 0.000) 5.255 13.910 ( 2.730 4.491 0.000) 5.255 14.142 ( -1.340 -3.109 0.000) 3.386 14.142 ( -1.340 3.109 0.000) 3.386 14.385 ( 1.388 -3.956 0.000) 4.193 14.385 ( 1.388 3.956 0.000) 4.193 15.234 ( -1.656 -3.387 0.000) 3.770 15.234 ( -1.656 3.387 0.000) 3.770 15.422 ( -3.062 -0.860 0.000) 3.180 15.422 ( -3.062 0.860 0.000) 3.180 15.453 ( 2.287 -0.023 0.000) 2.287 15.453 ( 2.287 0.023 0.000) 2.287 15.957 ( -3.040 -3.706 0.000) 4.793 15.957 ( -3.040 3.706 0.000) 4.793 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.001 ( -0.000 0.000 0.000) 0.000 2.001 ( -0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.518 ( -0.000 -0.000 0.000) 0.000 2.518 ( -0.000 0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.177 ( -0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.605 ( -0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.900 ( -0.000 -0.000 0.000) 0.000 3.900 ( -0.000 0.000 0.000) 0.000 4.075 ( 0.000 -0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.298 ( -0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 5.052 ( -0.000 -0.000 0.000) 0.000 5.052 ( -0.000 -0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.718 ( -0.000 -0.000 0.000) 0.000 5.718 ( -0.000 -0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 -0.000 0.000) 0.000 5.972 ( 0.000 -0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.886 ( -0.000 -0.000 0.000) 0.000 9.886 ( -0.000 -0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 -0.000 0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.234 ( 0.000 -0.000 0.000) 0.000 10.234 ( 0.000 0.000 0.000) 0.000 10.238 ( -0.000 -0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 0.000 0.000) 0.000 13.115 ( -0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 -0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.644 ( -0.000 -0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 14.124 ( 0.000 0.000 0.000) 0.000 14.124 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.326 ( -0.000 -0.000 0.000) 0.000 15.326 ( -0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.523 ( -0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 0.000 27.910) 27.910 0.761 ( 0.000 0.000 37.696) 37.696 1.249 ( 0.000 0.000 61.282) 61.282 2.153 ( 0.000 0.000 -2.744) 2.744 2.246 ( 0.000 0.000 21.640) 21.640 2.438 ( 0.000 0.000 1.961) 1.961 2.442 ( 0.000 0.000 7.187) 7.187 2.663 ( 0.000 0.000 13.268) 13.268 2.712 ( 0.000 0.000 13.092) 13.092 2.765 ( 0.000 0.000 0.271) 0.271 2.920 ( 0.000 0.000 -0.607) 0.607 2.979 ( 0.000 0.000 -4.996) 4.996 3.230 ( 0.000 0.000 -2.007) 2.007 3.234 ( 0.000 0.000 6.512) 6.512 3.367 ( 0.000 0.000 5.131) 5.131 3.381 ( 0.000 0.000 0.695) 0.695 3.619 ( 0.000 0.000 -7.363) 7.363 3.663 ( 0.000 0.000 1.681) 1.681 3.742 ( 0.000 0.000 -0.366) 0.366 3.786 ( 0.000 0.000 2.708) 2.708 3.882 ( 0.000 0.000 3.757) 3.757 3.905 ( 0.000 0.000 -0.015) 0.015 4.056 ( 0.000 0.000 8.009) 8.009 4.126 ( 0.000 0.000 -2.478) 2.478 4.335 ( 0.000 0.000 2.165) 2.165 4.410 ( 0.000 0.000 -7.276) 7.276 4.415 ( 0.000 0.000 2.775) 2.775 4.416 ( 0.000 0.000 2.238) 2.238 4.569 ( 0.000 0.000 0.389) 0.389 4.629 ( 0.000 0.000 4.311) 4.311 4.697 ( 0.000 0.000 -0.521) 0.521 4.718 ( 0.000 0.000 -4.928) 4.928 4.856 ( 0.000 0.000 -5.214) 5.214 4.916 ( 0.000 0.000 1.172) 1.172 5.000 ( 0.000 0.000 -1.390) 1.390 5.056 ( 0.000 0.000 -1.225) 1.225 5.104 ( 0.000 0.000 0.787) 0.787 5.134 ( 0.000 0.000 2.771) 2.771 5.200 ( 0.000 0.000 -6.541) 6.541 5.247 ( 0.000 0.000 -3.322) 3.322 5.337 ( 0.000 0.000 0.900) 0.900 5.375 ( 0.000 0.000 -2.038) 2.038 5.441 ( 0.000 0.000 8.166) 8.166 5.458 ( 0.000 0.000 -1.270) 1.270 5.596 ( 0.000 0.000 1.973) 1.973 5.643 ( 0.000 0.000 -0.765) 0.765 5.649 ( 0.000 0.000 -3.249) 3.249 5.852 ( 0.000 0.000 2.598) 2.598 5.897 ( 0.000 0.000 -4.238) 4.238 5.981 ( 0.000 0.000 -8.805) 8.805 6.023 ( 0.000 0.000 0.657) 0.657 6.070 ( 0.000 0.000 -1.626) 1.626 6.204 ( 0.000 0.000 -2.826) 2.826 6.276 ( 0.000 0.000 -1.757) 1.757 6.575 ( 0.000 0.000 -5.339) 5.339 6.625 ( 0.000 0.000 -4.817) 4.817 6.943 ( 0.000 0.000 14.011) 14.011 6.997 ( 0.000 0.000 -0.200) 0.200 7.025 ( 0.000 0.000 -5.373) 5.373 7.383 ( 0.000 0.000 -5.918) 5.918 7.564 ( 0.000 0.000 -5.469) 5.469 7.666 ( 0.000 0.000 0.536) 0.536 7.984 ( 0.000 0.000 -3.025) 3.025 8.043 ( 0.000 0.000 -6.212) 6.212 8.170 ( 0.000 0.000 0.578) 0.578 8.242 ( 0.000 0.000 -0.750) 0.750 8.326 ( 0.000 0.000 -1.315) 1.315 8.392 ( 0.000 0.000 0.828) 0.828 8.414 ( 0.000 0.000 4.793) 4.793 8.537 ( 0.000 0.000 4.785) 4.785 8.676 ( 0.000 0.000 -5.085) 5.085 8.967 ( 0.000 0.000 4.121) 4.121 9.075 ( 0.000 0.000 1.088) 1.088 9.106 ( 0.000 0.000 0.203) 0.203 9.688 ( 0.000 0.000 -1.971) 1.971 9.813 ( 0.000 0.000 -6.324) 6.324 9.937 ( 0.000 0.000 -2.177) 2.177 9.955 ( 0.000 0.000 2.852) 2.852 10.054 ( 0.000 0.000 7.732) 7.732 10.104 ( 0.000 0.000 2.663) 2.663 10.204 ( 0.000 0.000 -1.438) 1.438 10.406 ( 0.000 0.000 7.381) 7.381 10.573 ( 0.000 0.000 -3.524) 3.524 10.765 ( 0.000 0.000 -2.242) 2.242 10.790 ( 0.000 0.000 1.811) 1.811 10.820 ( 0.000 0.000 4.895) 4.895 10.867 ( 0.000 0.000 2.883) 2.883 10.915 ( 0.000 0.000 3.320) 3.320 11.010 ( 0.000 0.000 1.977) 1.977 11.129 ( 0.000 0.000 -2.107) 2.107 11.317 ( 0.000 0.000 -3.048) 3.048 11.476 ( 0.000 0.000 2.315) 2.315 11.647 ( 0.000 0.000 -1.554) 1.554 11.663 ( 0.000 0.000 -4.143) 4.143 11.785 ( 0.000 0.000 0.205) 0.205 11.835 ( 0.000 0.000 -1.981) 1.981 13.051 ( 0.000 0.000 -0.758) 0.758 13.097 ( 0.000 0.000 1.206) 1.206 13.238 ( 0.000 0.000 -0.965) 0.965 13.266 ( 0.000 0.000 -0.242) 0.242 13.304 ( 0.000 0.000 1.564) 1.564 13.362 ( 0.000 0.000 2.399) 2.399 13.478 ( 0.000 0.000 -0.310) 0.310 13.574 ( 0.000 0.000 -0.218) 0.218 13.778 ( 0.000 0.000 4.524) 4.524 13.852 ( 0.000 0.000 -1.255) 1.255 13.952 ( 0.000 0.000 0.974) 0.974 13.971 ( 0.000 0.000 4.646) 4.646 14.213 ( 0.000 0.000 1.081) 1.081 14.379 ( 0.000 0.000 3.100) 3.100 14.401 ( 0.000 0.000 5.362) 5.362 14.456 ( 0.000 0.000 1.558) 1.558 14.985 ( 0.000 0.000 -10.439) 10.439 14.989 ( 0.000 0.000 -2.350) 2.350 15.181 ( 0.000 0.000 0.143) 0.143 15.254 ( 0.000 0.000 -1.151) 1.151 15.434 ( 0.000 0.000 -2.655) 2.655 15.669 ( 0.000 0.000 -3.505) 3.505 15.681 ( 0.000 0.000 -4.585) 4.585 15.984 ( 0.000 0.000 -5.548) 5.548 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 25.245 0.000 23.773) 34.677 1.112 ( 25.524 0.000 25.010) 35.735 1.686 ( 37.326 0.000 35.668) 51.628 2.041 ( -16.832 0.000 18.788) 25.226 2.176 ( -10.905 0.000 3.789) 11.544 2.243 ( 1.488 0.000 1.149) 1.880 2.553 ( -0.235 0.000 4.993) 4.998 2.610 ( -0.064 0.000 14.830) 14.830 2.759 ( 1.135 0.000 13.233) 13.282 2.876 ( -2.838 0.000 -1.074) 3.035 2.928 ( -1.370 0.000 0.215) 1.387 2.959 ( 6.797 0.000 1.907) 7.059 3.169 ( 7.700 0.000 -5.899) 9.700 3.221 ( -0.532 0.000 -1.807) 1.884 3.239 ( -5.204 0.000 0.523) 5.230 3.554 ( -8.120 0.000 -2.798) 8.588 3.671 ( 5.225 0.000 0.724) 5.275 3.733 ( -1.566 0.000 2.234) 2.728 3.783 ( -0.861 0.000 3.731) 3.829 3.799 ( 2.301 0.000 -0.646) 2.390 3.842 ( -23.559 0.000 6.692) 24.491 3.848 ( 3.327 0.000 1.372) 3.598 4.016 ( -2.759 0.000 8.419) 8.859 4.054 ( 4.151 0.000 -5.415) 6.823 4.107 ( 0.713 0.000 -1.453) 1.618 4.352 ( -4.976 0.000 0.067) 4.977 4.364 ( 1.771 0.000 3.962) 4.340 4.411 ( -0.334 0.000 0.339) 0.476 4.485 ( -10.677 0.000 1.499) 10.782 4.543 ( -2.674 0.000 -1.947) 3.308 4.662 ( -3.811 0.000 -7.084) 8.044 4.694 ( -2.921 0.000 -2.009) 3.545 4.894 ( 1.967 0.000 -4.043) 4.496 4.992 ( 2.615 0.000 -4.627) 5.315 5.070 ( -5.838 0.000 -4.370) 7.292 5.090 ( -0.803 0.000 -1.423) 1.634 5.128 ( 0.207 0.000 3.040) 3.047 5.214 ( 1.690 0.000 0.706) 1.831 5.295 ( 2.332 0.000 -3.012) 3.809 5.319 ( 5.895 0.000 0.840) 5.954 5.336 ( 12.377 0.000 -3.131) 12.766 5.377 ( 2.822 0.000 -2.654) 3.874 5.448 ( 2.415 0.000 -2.974) 3.830 5.482 ( 0.276 0.000 3.529) 3.540 5.684 ( 1.445 0.000 3.962) 4.217 5.723 ( 7.658 0.000 -3.460) 8.403 5.724 ( 7.978 0.000 -0.093) 7.979 5.850 ( -4.746 0.000 -4.084) 6.261 5.923 ( 4.413 0.000 -5.450) 7.013 5.986 ( -2.793 0.000 0.281) 2.807 5.996 ( 0.818 0.000 -10.920) 10.950 6.098 ( 2.215 0.000 -1.392) 2.616 6.185 ( -7.615 0.000 -2.143) 7.911 6.193 ( -1.022 0.000 -2.369) 2.580 6.578 ( 0.319 0.000 -5.371) 5.380 6.616 ( -0.821 0.000 -4.791) 4.860 6.980 ( 3.586 0.000 14.263) 14.707 6.996 ( 0.023 0.000 -1.109) 1.109 7.017 ( -0.646 0.000 -4.597) 4.642 7.268 ( -7.396 0.000 6.390) 9.774 7.647 ( 6.004 0.000 -5.368) 8.054 7.712 ( 3.955 0.000 -0.640) 4.007 7.925 ( -4.573 0.000 -3.356) 5.673 7.972 ( -5.579 0.000 -5.233) 7.650 8.230 ( 3.856 0.000 -2.329) 4.504 8.252 ( 0.917 0.000 -0.964) 1.331 8.326 ( -0.181 0.000 -0.160) 0.242 8.334 ( -2.640 0.000 0.837) 2.770 8.474 ( 2.855 0.000 4.428) 5.269 8.543 ( 0.123 0.000 4.839) 4.840 8.637 ( -2.806 0.000 -1.032) 2.990 8.736 ( -10.419 0.000 14.418) 17.789 9.091 ( 1.202 0.000 1.144) 1.660 9.115 ( 0.493 0.000 0.615) 0.788 9.593 ( 0.233 0.000 -7.322) 7.325 9.757 ( -4.520 0.000 -6.591) 7.992 9.972 ( 2.679 0.000 5.931) 6.508 10.045 ( -0.564 0.000 7.965) 7.985 10.097 ( 5.782 0.000 0.694) 5.823 10.108 ( 0.643 0.000 1.912) 2.018 10.185 ( -1.646 0.000 -0.579) 1.745 10.356 ( -4.517 0.000 1.896) 4.899 10.584 ( 1.143 0.000 -1.390) 1.799 10.729 ( -4.481 0.000 2.732) 5.248 10.786 ( 2.295 0.000 -1.065) 2.530 10.871 ( -0.560 0.000 -0.571) 0.800 10.881 ( 4.845 0.000 1.096) 4.967 10.957 ( 2.351 0.000 4.342) 4.938 11.040 ( 0.432 0.000 3.537) 3.563 11.099 ( -2.797 0.000 -1.903) 3.383 11.353 ( 3.424 0.000 -2.188) 4.063 11.557 ( 5.147 0.000 0.848) 5.216 11.596 ( -3.525 0.000 -1.171) 3.715 11.676 ( 1.100 0.000 -3.624) 3.787 11.753 ( -1.948 0.000 -0.634) 2.048 11.802 ( -3.006 0.000 -1.536) 3.376 13.059 ( 1.926 0.000 0.892) 2.123 13.117 ( 1.726 0.000 0.951) 1.971 13.217 ( -1.782 0.000 -0.576) 1.873 13.224 ( -3.483 0.000 0.411) 3.507 13.319 ( 0.942 0.000 1.037) 1.401 13.355 ( -0.583 0.000 2.145) 2.223 13.486 ( 0.770 0.000 -0.270) 0.816 13.550 ( -1.725 0.000 -0.130) 1.730 13.787 ( 1.068 0.000 6.751) 6.835 13.874 ( -3.135 0.000 8.607) 9.160 13.876 ( 1.771 0.000 -1.614) 2.395 13.945 ( -0.716 0.000 0.138) 0.729 14.208 ( 0.027 0.000 2.058) 2.058 14.300 ( -3.882 0.000 5.350) 6.610 14.611 ( 9.316 0.000 -10.940) 14.369 14.642 ( 10.753 0.000 1.371) 10.840 14.876 ( -4.842 0.000 -8.621) 9.888 15.098 ( -6.958 0.000 0.251) 6.962 15.100 ( 4.771 0.000 -3.798) 6.098 15.240 ( -1.276 0.000 -1.253) 1.789 15.471 ( 3.031 0.000 -2.770) 4.105 15.636 ( -2.826 0.000 -3.328) 4.366 15.718 ( 3.278 0.000 -4.480) 5.551 15.936 ( -4.137 0.000 -5.139) 6.597 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -22.035 0.000 23.629) 32.309 1.585 ( 22.035 0.000 23.629) 32.309 1.716 ( -25.824 0.000 13.970) 29.360 1.716 ( 25.824 0.000 13.970) 29.360 2.400 ( -8.961 0.000 0.775) 8.994 2.400 ( 8.961 0.000 0.775) 8.994 2.575 ( -23.621 0.000 8.232) 25.014 2.575 ( 23.621 0.000 8.232) 25.014 2.770 ( -16.023 0.000 14.353) 21.511 2.770 ( 16.023 0.000 14.353) 21.511 2.869 ( -3.168 0.000 0.082) 3.169 2.869 ( 3.168 0.000 0.082) 3.169 3.284 ( -6.244 0.000 -0.420) 6.258 3.284 ( 6.244 0.000 -0.420) 6.258 3.349 ( -19.685 0.000 0.195) 19.686 3.349 ( 19.685 0.000 0.195) 19.686 3.442 ( -11.463 0.000 1.281) 11.534 3.442 ( 11.463 0.000 1.281) 11.534 3.806 ( -3.256 0.000 1.724) 3.684 3.806 ( 3.256 0.000 1.724) 3.684 3.957 ( -7.045 0.000 -2.699) 7.544 3.957 ( 7.045 0.000 -2.699) 7.544 3.959 ( -4.192 0.000 5.379) 6.820 3.959 ( 4.192 0.000 5.379) 6.820 4.312 ( -3.881 0.000 1.709) 4.240 4.312 ( 3.881 0.000 1.709) 4.240 4.319 ( -9.400 0.000 -0.562) 9.417 4.319 ( 9.400 0.000 -0.562) 9.417 4.464 ( -4.298 0.000 0.059) 4.299 4.464 ( 4.298 0.000 0.059) 4.299 4.595 ( -3.045 0.000 -2.936) 4.230 4.595 ( 3.045 0.000 -2.936) 4.230 4.954 ( -3.798 0.000 -3.926) 5.462 4.954 ( 3.798 0.000 -3.926) 5.462 5.054 ( -2.474 0.000 -3.655) 4.413 5.054 ( 2.474 0.000 -3.655) 4.413 5.166 ( -3.075 0.000 2.160) 3.758 5.166 ( 3.075 0.000 2.160) 3.758 5.350 ( -2.547 0.000 -1.385) 2.899 5.350 ( 2.547 0.000 -1.385) 2.899 5.383 ( -3.882 0.000 -1.109) 4.037 5.383 ( 3.882 0.000 -1.109) 4.037 5.643 ( -5.917 0.000 2.327) 6.358 5.643 ( 5.917 0.000 2.327) 6.358 5.661 ( -10.590 0.000 -5.175) 11.787 5.661 ( 10.590 0.000 -5.175) 11.787 5.894 ( -5.719 0.000 0.072) 5.719 5.894 ( 5.719 0.000 0.072) 5.719 5.941 ( -9.307 0.000 -0.932) 9.354 5.941 ( 9.307 0.000 -0.932) 9.354 6.006 ( -2.762 0.000 -11.005) 11.346 6.006 ( 2.762 0.000 -11.005) 11.346 6.154 ( -2.383 0.000 -1.618) 2.881 6.154 ( 2.383 0.000 -1.618) 2.881 6.593 ( -1.009 0.000 -5.103) 5.202 6.593 ( 1.009 0.000 -5.103) 5.202 7.002 ( -0.524 0.000 -2.933) 2.979 7.002 ( 0.524 0.000 -2.933) 2.979 7.102 ( -6.917 0.000 13.244) 14.942 7.102 ( 6.917 0.000 13.244) 14.942 7.796 ( -6.626 0.000 -4.959) 8.277 7.796 ( 6.626 0.000 -4.959) 8.277 7.831 ( -6.289 0.000 -3.055) 6.992 7.831 ( 6.289 0.000 -3.055) 6.992 8.283 ( -1.841 0.000 -0.573) 1.929 8.283 ( 1.841 0.000 -0.573) 1.929 8.303 ( -2.174 0.000 -0.801) 2.317 8.303 ( 2.174 0.000 -0.801) 2.317 8.527 ( -1.661 0.000 4.918) 5.191 8.527 ( 1.661 0.000 4.918) 5.191 8.610 ( -1.614 0.000 5.811) 6.031 8.610 ( 1.614 0.000 5.811) 6.031 9.115 ( -0.616 0.000 1.126) 1.284 9.115 ( 0.616 0.000 1.126) 1.284 9.655 ( -4.177 0.000 -8.681) 9.633 9.655 ( 4.177 0.000 -8.681) 9.633 10.021 ( -1.613 0.000 7.785) 7.950 10.021 ( 1.613 0.000 7.785) 7.950 10.139 ( -2.038 0.000 0.699) 2.155 10.139 ( 2.038 0.000 0.699) 2.155 10.230 ( -6.104 0.000 1.859) 6.380 10.230 ( 6.104 0.000 1.859) 6.380 10.634 ( -3.406 0.000 1.295) 3.644 10.634 ( 3.406 0.000 1.295) 3.644 10.841 ( -2.100 0.000 -1.528) 2.597 10.841 ( 2.100 0.000 -1.528) 2.597 11.004 ( -5.390 0.000 -1.333) 5.552 11.004 ( 5.390 0.000 -1.333) 5.552 11.012 ( -2.343 0.000 4.904) 5.435 11.012 ( 2.343 0.000 4.904) 5.435 11.465 ( -5.997 0.000 -1.488) 6.179 11.465 ( 5.997 0.000 -1.488) 6.179 11.702 ( -5.684 0.000 -0.374) 5.697 11.702 ( 5.684 0.000 -0.374) 5.697 11.710 ( -1.803 0.000 -2.204) 2.847 11.710 ( 1.803 0.000 -2.204) 2.847 13.133 ( -4.150 0.000 0.678) 4.205 13.133 ( 4.150 0.000 0.678) 4.205 13.167 ( -2.462 0.000 0.257) 2.475 13.167 ( 2.462 0.000 0.257) 2.475 13.338 ( -0.823 0.000 1.544) 1.750 13.338 ( 0.823 0.000 1.544) 1.750 13.512 ( -1.483 0.000 -0.167) 1.492 13.512 ( 1.483 0.000 -0.167) 1.492 13.823 ( -1.913 0.000 7.539) 7.778 13.823 ( 1.913 0.000 7.539) 7.778 13.917 ( -1.674 0.000 -1.349) 2.150 13.917 ( 1.674 0.000 -1.349) 2.150 14.233 ( -2.192 0.000 4.404) 4.920 14.233 ( 2.192 0.000 4.404) 4.920 14.763 ( -5.401 0.000 -9.933) 11.307 14.763 ( 5.401 0.000 -9.933) 11.307 14.892 ( -10.817 0.000 0.587) 10.833 14.892 ( 10.817 0.000 0.587) 10.833 15.191 ( -3.174 0.000 -2.319) 3.930 15.191 ( 3.174 0.000 -2.319) 3.930 15.555 ( -4.042 0.000 -3.009) 5.039 15.555 ( 4.042 0.000 -3.009) 5.039 15.821 ( -5.438 0.000 -4.545) 7.088 15.821 ( 5.438 0.000 -4.545) 7.088 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 22.718 18.178) 29.096 1.051 ( 0.000 25.058 27.096) 36.907 1.660 ( 0.000 37.829 42.292) 56.742 2.140 ( 0.000 -0.666 3.182) 3.251 2.274 ( 0.000 2.466 10.173) 10.468 2.319 ( 0.000 -11.833 8.266) 14.434 2.499 ( 0.000 6.001 5.412) 8.081 2.593 ( 0.000 -4.397 15.177) 15.801 2.739 ( 0.000 7.707 12.247) 14.470 2.765 ( 0.000 -0.426 0.498) 0.655 2.901 ( 0.000 -12.465 -9.477) 15.659 2.970 ( 0.000 -4.571 -4.776) 6.611 3.100 ( 0.000 -10.524 4.391) 11.403 3.130 ( 0.000 -10.085 4.148) 10.905 3.373 ( 0.000 -20.702 1.105) 20.731 3.389 ( 0.000 6.207 -6.374) 8.897 3.544 ( 0.000 -5.148 -4.046) 6.548 3.745 ( 0.000 1.677 -4.472) 4.776 3.765 ( 0.000 3.373 -7.892) 8.583 3.818 ( 0.000 6.232 -1.476) 6.405 3.861 ( 0.000 -1.474 2.640) 3.024 3.883 ( 0.000 -4.399 4.104) 6.016 4.006 ( 0.000 1.750 6.497) 6.729 4.126 ( 0.000 -0.022 -5.291) 5.291 4.331 ( 0.000 2.113 0.579) 2.191 4.429 ( 0.000 2.943 5.196) 5.971 4.469 ( 0.000 3.745 -4.784) 6.076 4.643 ( 0.000 10.531 -0.138) 10.532 4.648 ( 0.000 -3.867 2.278) 4.489 4.693 ( 0.000 17.514 -0.996) 17.543 4.699 ( 0.000 2.128 -2.023) 2.936 4.788 ( 0.000 8.715 -0.260) 8.719 4.831 ( 0.000 -2.779 -4.161) 5.004 4.902 ( 0.000 -1.029 0.348) 1.086 4.951 ( 0.000 -2.029 0.522) 2.095 5.082 ( 0.000 -2.623 0.664) 2.706 5.119 ( 0.000 -0.907 -0.744) 1.173 5.141 ( 0.000 -3.038 -5.815) 6.561 5.165 ( 0.000 5.478 -1.724) 5.743 5.286 ( 0.000 2.981 -2.290) 3.759 5.347 ( 0.000 2.090 0.935) 2.290 5.404 ( 0.000 -3.925 -2.888) 4.873 5.444 ( 0.000 6.901 -1.439) 7.050 5.458 ( 0.000 0.915 2.699) 2.850 5.598 ( 0.000 3.001 3.859) 4.889 5.671 ( 0.000 3.131 -0.125) 3.133 5.680 ( 0.000 -0.522 -2.997) 3.043 5.831 ( 0.000 -1.424 1.841) 2.328 5.854 ( 0.000 -4.667 -4.225) 6.295 5.899 ( 0.000 -6.318 -5.687) 8.501 6.042 ( 0.000 -0.203 -0.107) 0.229 6.061 ( 0.000 -0.994 -1.935) 2.176 6.180 ( 0.000 -2.567 -2.674) 3.707 6.237 ( 0.000 -3.900 -1.430) 4.154 6.583 ( 0.000 0.640 -5.099) 5.139 6.625 ( 0.000 -0.055 -5.106) 5.106 6.935 ( 0.000 -0.575 13.081) 13.094 6.997 ( 0.000 -0.001 -0.299) 0.299 7.018 ( 0.000 -0.735 -4.801) 4.857 7.219 ( 0.000 -12.229 8.962) 15.161 7.585 ( 0.000 2.686 -4.412) 5.165 7.745 ( 0.000 7.186 -1.907) 7.435 7.913 ( 0.000 -4.395 -3.469) 5.599 8.090 ( 0.000 1.332 -8.416) 8.521 8.178 ( 0.000 0.795 2.883) 2.990 8.258 ( 0.000 1.302 -1.805) 2.225 8.310 ( 0.000 -1.198 -1.145) 1.658 8.375 ( 0.000 -3.530 6.748) 7.616 8.414 ( 0.000 2.225 -1.611) 2.747 8.574 ( 0.000 3.598 5.355) 6.451 8.675 ( 0.000 -0.456 -4.702) 4.725 8.849 ( 0.000 -7.729 12.528) 14.721 9.076 ( 0.000 -0.754 2.039) 2.174 9.093 ( 0.000 -1.257 1.018) 1.617 9.713 ( 0.000 2.200 -4.313) 4.842 9.743 ( 0.000 -4.440 -6.450) 7.831 9.949 ( 0.000 -0.480 1.914) 1.974 9.961 ( 0.000 3.597 2.915) 4.630 10.049 ( 0.000 -4.924 8.961) 10.225 10.065 ( 0.000 2.292 9.932) 10.193 10.266 ( 0.000 4.897 -1.781) 5.211 10.310 ( 0.000 -1.045 7.783) 7.852 10.509 ( 0.000 -7.056 8.233) 10.843 10.632 ( 0.000 -7.755 4.264) 8.850 10.687 ( 0.000 -6.781 3.875) 7.810 10.785 ( 0.000 -6.982 1.064) 7.062 10.834 ( 0.000 1.327 -1.222) 1.804 10.924 ( 0.000 1.766 -5.000) 5.302 11.073 ( 0.000 8.127 2.656) 8.550 11.151 ( 0.000 2.837 2.485) 3.771 11.248 ( 0.000 -5.400 -2.433) 5.923 11.454 ( 0.000 -3.092 1.210) 3.320 11.622 ( 0.000 -2.708 -1.228) 2.974 11.632 ( 0.000 -9.994 1.388) 10.089 11.761 ( 0.000 7.975 -5.042) 9.435 11.930 ( 0.000 4.649 -2.775) 5.414 13.012 ( 0.000 -0.573 0.344) 0.669 13.083 ( 0.000 -1.251 1.114) 1.675 13.249 ( 0.000 0.987 -0.853) 1.305 13.283 ( 0.000 1.432 -0.343) 1.472 13.336 ( 0.000 3.776 1.352) 4.011 13.413 ( 0.000 5.456 2.016) 5.816 13.599 ( 0.000 2.435 0.197) 2.443 13.672 ( 0.000 6.586 -1.940) 6.865 13.769 ( 0.000 -0.468 4.269) 4.295 13.843 ( 0.000 -0.711 -1.355) 1.530 13.941 ( 0.000 -2.305 2.935) 3.732 13.996 ( 0.000 3.494 2.014) 4.033 14.177 ( 0.000 -3.774 1.198) 3.959 14.362 ( 0.000 -3.848 3.663) 5.313 14.400 ( 0.000 -4.685 1.748) 5.000 14.807 ( 0.000 -5.571 -6.893) 8.863 14.875 ( 0.000 20.055 -21.117) 29.123 15.055 ( 0.000 6.017 -2.601) 6.555 15.190 ( 0.000 2.048 -6.352) 6.674 15.338 ( 0.000 4.343 -0.780) 4.413 15.413 ( 0.000 -2.164 -2.583) 3.369 15.622 ( 0.000 -4.503 -4.224) 6.174 15.725 ( 0.000 4.696 -4.524) 6.521 15.998 ( 0.000 0.976 -5.326) 5.415 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 24.438 15.654 16.218) 33.246 1.272 ( 19.050 16.646 21.679) 33.316 1.925 ( 18.961 18.818 24.616) 36.326 2.073 ( -13.654 4.104 15.488) 21.051 2.235 ( -5.178 5.602 8.051) 11.091 2.291 ( 8.740 6.158 2.235) 10.922 2.459 ( -2.490 -5.304 6.958) 9.096 2.557 ( -8.251 -9.660 7.175) 14.590 2.678 ( -7.918 -8.065 2.686) 11.617 2.778 ( 1.089 -3.600 8.525) 9.318 2.869 ( 3.967 1.594 10.480) 11.319 2.950 ( 9.857 -0.131 -0.991) 9.908 3.129 ( -1.759 -10.322 -0.968) 10.515 3.197 ( 1.232 -3.460 -1.438) 3.944 3.292 ( 2.610 -3.624 -4.801) 6.557 3.507 ( 1.287 -12.799 -4.902) 13.766 3.582 ( 6.518 -9.224 5.304) 12.478 3.635 ( -5.951 -4.595 1.013) 7.587 3.695 ( -6.459 -5.940 2.540) 9.135 3.727 ( -4.370 6.223 2.513) 8.009 3.831 ( -3.789 -9.772 3.152) 10.944 3.951 ( -31.418 9.670 7.466) 33.710 4.057 ( 5.831 5.950 -2.233) 8.625 4.093 ( 6.353 3.678 0.342) 7.349 4.111 ( 0.744 0.936 -4.227) 4.393 4.306 ( -3.035 0.647 1.108) 3.295 4.444 ( 0.454 5.569 3.269) 6.474 4.477 ( -7.224 2.844 -0.724) 7.797 4.606 ( -2.668 4.740 -4.160) 6.848 4.622 ( -3.509 0.610 -1.928) 4.050 4.723 ( -1.014 11.514 -1.339) 11.635 4.752 ( -1.896 8.925 -1.721) 9.285 4.881 ( 2.407 -0.911 -2.575) 3.641 5.006 ( -0.612 -1.380 -1.406) 2.063 5.049 ( 0.607 -1.865 -0.373) 1.996 5.080 ( -3.237 -3.205 -5.622) 7.236 5.156 ( -1.249 4.365 -1.020) 4.653 5.176 ( 1.042 -1.043 0.338) 1.513 5.296 ( 4.485 0.934 -3.473) 5.748 5.320 ( 14.605 0.356 -2.130) 14.764 5.377 ( 2.203 3.256 -1.933) 4.381 5.415 ( 0.067 3.088 0.224) 3.097 5.427 ( 5.071 -0.409 -3.581) 6.221 5.531 ( 0.650 4.307 2.326) 4.938 5.611 ( 3.538 -3.527 0.977) 5.090 5.692 ( 0.521 -1.410 3.378) 3.698 5.770 ( 4.866 -1.975 -8.094) 9.648 5.804 ( -0.818 -2.281 -2.939) 3.809 5.909 ( 3.312 -2.980 -5.545) 7.113 5.926 ( 1.850 -2.258 -0.066) 2.920 6.018 ( -2.222 -0.535 -4.269) 4.842 6.088 ( 2.167 -0.999 -2.276) 3.298 6.164 ( -5.863 -2.042 -0.920) 6.276 6.176 ( -0.665 -1.858 -2.140) 2.911 6.579 ( -0.052 0.126 -5.241) 5.243 6.614 ( -0.945 -0.181 -4.862) 4.956 6.958 ( 2.247 -1.713 12.552) 12.866 6.999 ( 0.201 -0.068 -0.229) 0.313 7.011 ( -0.422 -0.668 -3.664) 3.748 7.171 ( -4.010 -8.056 11.382) 14.510 7.641 ( 4.355 0.958 -4.631) 6.429 7.797 ( 4.111 6.508 -3.252) 8.356 7.866 ( -3.585 -2.873 -4.313) 6.301 8.041 ( -4.110 3.260 -6.877) 8.649 8.225 ( 3.064 0.016 -0.406) 3.091 8.260 ( 0.649 0.184 -0.159) 0.693 8.314 ( -0.558 -0.615 1.254) 1.504 8.330 ( -1.749 -0.898 -0.493) 2.027 8.467 ( 2.856 -0.049 4.086) 4.985 8.563 ( -1.260 1.774 4.807) 5.277 8.655 ( -1.294 1.495 -1.566) 2.522 8.731 ( -6.640 -0.215 12.625) 14.267 9.083 ( 1.031 -0.848 1.581) 2.069 9.105 ( 0.523 -1.051 1.086) 1.599 9.618 ( -0.457 2.433 -7.715) 8.102 9.738 ( -3.102 -1.506 -7.761) 8.492 9.983 ( 1.489 0.729 3.485) 3.859 10.036 ( -0.944 -1.416 7.858) 8.040 10.070 ( 4.313 -0.817 4.860) 6.549 10.111 ( 3.768 -0.517 3.940) 5.476 10.227 ( -2.300 3.018 -0.414) 3.817 10.319 ( -2.269 -0.906 1.850) 3.065 10.523 ( 2.132 -6.379 6.482) 9.341 10.648 ( 1.336 -7.938 3.974) 8.977 10.665 ( -2.324 -5.302 3.911) 6.987 10.764 ( -1.816 -8.866 0.312) 9.055 10.901 ( 4.625 -0.324 -0.159) 4.640 11.005 ( 4.165 1.933 -3.788) 5.953 11.044 ( -0.236 6.698 2.635) 7.202 11.170 ( 0.515 4.800 0.677) 4.875 11.296 ( 4.195 -5.259 -1.495) 6.891 11.525 ( 4.724 -3.500 0.322) 5.888 11.554 ( -4.854 -4.752 -0.578) 6.817 11.635 ( -0.337 -5.891 0.900) 5.969 11.759 ( 0.341 6.619 -4.435) 7.975 11.894 ( -3.086 4.568 -2.825) 6.194 13.045 ( 2.809 -0.377 0.355) 2.857 13.106 ( 1.912 -1.078 0.916) 2.378 13.218 ( -2.782 0.306 -0.564) 2.855 13.235 ( -3.173 1.223 0.263) 3.411 13.359 ( 1.249 4.124 0.955) 4.413 13.405 ( -0.672 5.386 1.782) 5.713 13.585 ( -0.774 3.230 0.259) 3.331 13.632 ( -2.814 7.799 -1.816) 8.488 13.782 ( 1.185 -0.332 4.893) 5.046 13.866 ( -1.299 -0.089 2.479) 2.800 13.893 ( 0.614 0.661 2.138) 2.320 13.984 ( -1.128 3.034 1.466) 3.553 14.184 ( 0.426 -2.539 2.596) 3.656 14.266 ( -3.584 -3.182 4.477) 6.559 14.546 ( 7.636 -6.689 -0.638) 10.171 14.785 ( -1.865 -9.982 -5.112) 11.369 14.840 ( -0.922 15.269 -13.883) 20.657 15.000 ( -4.135 1.890 -2.434) 5.157 15.225 ( 2.685 5.036 -4.150) 7.056 15.329 ( -1.016 6.222 -1.350) 6.448 15.441 ( 2.330 -2.685 -2.644) 4.431 15.589 ( -2.840 -4.481 -3.719) 6.478 15.749 ( 2.448 3.115 -4.423) 5.938 15.950 ( -4.070 1.000 -4.960) 6.494 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -18.805 10.245 19.186) 28.752 1.680 ( 18.805 10.245 19.186) 28.752 1.847 ( -23.955 11.840 12.022) 29.301 1.847 ( 23.955 11.840 12.022) 29.301 2.246 ( -10.869 -8.547 3.229) 14.199 2.246 ( 10.869 -8.547 3.229) 14.199 2.539 ( -3.846 -12.060 6.065) 14.037 2.539 ( 3.846 -12.060 6.065) 14.037 2.748 ( -14.465 6.823 4.684) 16.666 2.748 ( 14.465 6.823 4.684) 16.666 3.002 ( -10.087 2.083 5.933) 11.886 3.002 ( 10.087 2.083 5.933) 11.886 3.229 ( -17.289 2.479 4.985) 18.164 3.229 ( 17.289 2.479 4.985) 18.164 3.345 ( -14.361 -2.376 2.198) 14.722 3.345 ( 14.361 -2.376 2.198) 14.722 3.451 ( -7.994 -5.392 -2.328) 9.919 3.451 ( 7.994 -5.392 -2.328) 9.919 3.672 ( -1.284 -12.511 4.230) 13.269 3.672 ( 1.284 -12.511 4.230) 13.269 3.738 ( -4.179 -5.103 4.151) 7.793 3.738 ( 4.179 -5.103 4.151) 7.793 4.111 ( -1.091 5.588 -1.912) 6.006 4.111 ( 1.091 5.588 -1.912) 6.006 4.240 ( -2.312 -0.117 -0.236) 2.327 4.240 ( 2.312 -0.117 -0.236) 2.327 4.440 ( -8.383 4.734 -1.542) 9.750 4.440 ( 8.383 4.734 -1.542) 9.750 4.547 ( -3.802 1.722 0.612) 4.219 4.547 ( 3.802 1.722 0.612) 4.219 4.703 ( -0.440 13.025 -1.209) 13.088 4.703 ( 0.440 13.025 -1.209) 13.088 4.964 ( -4.521 1.106 -3.090) 5.586 4.964 ( 4.521 1.106 -3.090) 5.586 5.056 ( -2.340 -2.947 -2.999) 4.812 5.056 ( 2.340 -2.947 -2.999) 4.812 5.133 ( -1.743 0.583 1.020) 2.102 5.133 ( 1.743 0.583 1.020) 2.102 5.345 ( -2.449 1.115 -2.404) 3.608 5.345 ( 2.449 1.115 -2.404) 3.608 5.467 ( -2.483 6.245 -1.008) 6.796 5.467 ( 2.483 6.245 -1.008) 6.796 5.578 ( -2.144 -4.768 -1.417) 5.416 5.578 ( 2.144 -4.768 -1.417) 5.416 5.667 ( -2.784 -0.835 -3.152) 4.288 5.667 ( 2.784 -0.835 -3.152) 4.288 5.811 ( -5.888 -5.394 0.225) 7.988 5.811 ( 5.888 -5.394 0.225) 7.988 5.965 ( -2.591 -2.386 -9.630) 10.254 5.965 ( 2.591 -2.386 -9.630) 10.254 6.009 ( -6.192 2.020 0.887) 6.574 6.009 ( 6.192 2.020 0.887) 6.574 6.145 ( -2.213 -1.038 -1.922) 3.110 6.145 ( 2.213 -1.038 -1.922) 3.110 6.590 ( -0.985 -0.315 -5.019) 5.124 6.590 ( 0.985 -0.315 -5.019) 5.124 6.994 ( -0.572 -0.952 -1.198) 1.633 6.994 ( 0.572 -0.952 -1.198) 1.633 7.062 ( -4.934 -3.447 12.312) 13.705 7.062 ( 4.934 -3.447 12.312) 13.705 7.755 ( -5.270 -1.394 -5.284) 7.592 7.755 ( 5.270 -1.394 -5.284) 7.592 7.923 ( -5.866 5.872 -4.753) 9.565 7.923 ( 5.866 5.872 -4.753) 9.565 8.274 ( -1.653 -0.928 -0.183) 1.904 8.274 ( 1.653 -0.928 -0.183) 1.904 8.302 ( -1.888 0.027 -0.240) 1.903 8.302 ( 1.888 0.027 -0.240) 1.903 8.522 ( -2.067 -0.055 5.747) 6.108 8.522 ( 2.067 -0.055 5.747) 6.108 8.645 ( -1.051 3.037 4.167) 5.263 8.645 ( 1.051 3.037 4.167) 5.263 9.105 ( -0.603 -0.954 1.427) 1.819 9.105 ( 0.603 -0.954 1.427) 1.819 9.661 ( -3.263 0.588 -9.377) 9.946 9.661 ( 3.263 0.588 -9.377) 9.946 10.012 ( -1.148 -0.619 6.318) 6.451 10.012 ( 1.148 -0.619 6.318) 6.451 10.146 ( -2.582 -0.466 4.317) 5.051 10.146 ( 2.582 -0.466 4.317) 5.051 10.228 ( -4.291 0.569 0.879) 4.417 10.228 ( 4.291 0.569 0.879) 4.417 10.588 ( -3.343 -4.358 3.226) 6.370 10.588 ( 3.343 -4.358 3.226) 6.370 10.707 ( -2.955 -9.377 1.993) 10.032 10.707 ( 2.955 -9.377 1.993) 10.032 10.984 ( -2.620 1.855 1.580) 3.578 10.984 ( 2.620 1.855 1.580) 3.578 11.135 ( -3.780 5.524 -2.136) 7.026 11.135 ( 3.780 5.524 -2.136) 7.026 11.421 ( -6.349 -4.666 -0.774) 7.918 11.421 ( 6.349 -4.666 -0.774) 7.918 11.610 ( -2.324 -3.984 0.403) 4.630 11.610 ( 2.324 -3.984 0.403) 4.630 11.808 ( -3.869 4.761 -3.181) 6.911 11.808 ( 3.869 4.761 -3.181) 6.911 13.126 ( -3.690 -0.470 0.402) 3.741 13.126 ( 3.690 -0.470 0.402) 3.741 13.168 ( -2.398 0.227 0.211) 2.418 13.168 ( 2.398 0.227 0.211) 2.418 13.385 ( -1.058 4.900 1.276) 5.173 13.385 ( 1.058 4.900 1.276) 5.173 13.585 ( -1.002 5.830 -0.275) 5.922 13.585 ( 1.002 5.830 -0.275) 5.922 13.817 ( -1.890 -0.248 5.262) 5.597 13.817 ( 1.890 -0.248 5.262) 5.597 13.945 ( -2.306 2.231 0.290) 3.222 13.945 ( 2.306 2.231 0.290) 3.222 14.207 ( -1.821 -2.392 4.377) 5.310 14.207 ( 1.821 -2.392 4.377) 5.310 14.698 ( -5.519 -9.089 -4.681) 11.618 14.698 ( 5.519 -9.089 -4.681) 11.618 14.893 ( -4.684 4.631 -4.895) 8.206 14.893 ( 4.684 4.631 -4.895) 8.206 15.288 ( -2.560 7.380 -2.864) 8.320 15.288 ( 2.560 7.380 -2.864) 8.320 15.511 ( -3.683 -4.085 -2.884) 6.210 15.511 ( 3.683 -4.085 -2.884) 6.210 15.838 ( -5.147 1.446 -4.454) 6.958 15.838 ( 5.147 1.446 -4.454) 6.958 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 22.708 9.726) 24.703 1.551 ( 0.000 25.342 17.113) 30.579 2.040 ( 0.000 -10.079 4.790) 11.159 2.153 ( 0.000 2.490 5.640) 6.166 2.309 ( 0.000 0.309 -0.224) 0.381 2.413 ( 0.000 17.332 19.309) 25.947 2.475 ( 0.000 0.057 9.253) 9.253 2.596 ( 0.000 -0.421 11.609) 11.617 2.692 ( 0.000 -2.532 -6.082) 6.588 2.725 ( 0.000 -2.650 -0.494) 2.696 2.855 ( 0.000 0.436 3.677) 3.702 2.887 ( 0.000 2.640 8.621) 9.016 3.010 ( 0.000 -13.074 0.895) 13.104 3.016 ( 0.000 8.934 11.648) 14.679 3.168 ( 0.000 7.829 0.911) 7.882 3.251 ( 0.000 -16.692 4.852) 17.383 3.339 ( 0.000 -10.408 -2.485) 10.701 3.590 ( 0.000 -16.951 5.261) 17.749 3.600 ( 0.000 -11.634 2.742) 11.953 3.783 ( 0.000 -8.240 -2.317) 8.560 3.885 ( 0.000 5.177 -0.156) 5.180 4.036 ( 0.000 -1.555 6.491) 6.675 4.096 ( 0.000 9.457 -8.841) 12.946 4.177 ( 0.000 8.741 -3.632) 9.465 4.392 ( 0.000 3.634 0.315) 3.648 4.421 ( 0.000 -12.626 2.200) 12.816 4.505 ( 0.000 6.666 1.181) 6.770 4.519 ( 0.000 -4.595 -0.882) 4.679 4.636 ( 0.000 -7.922 -4.481) 9.101 4.795 ( 0.000 5.023 -2.391) 5.563 4.803 ( 0.000 0.097 -3.097) 3.098 4.876 ( 0.000 -0.446 1.005) 1.099 4.927 ( 0.000 -12.064 -0.612) 12.080 4.997 ( 0.000 -4.049 0.179) 4.052 5.010 ( 0.000 16.197 -0.989) 16.227 5.068 ( 0.000 17.400 -1.784) 17.491 5.076 ( 0.000 6.845 -4.367) 8.119 5.210 ( 0.000 7.843 -0.359) 7.851 5.221 ( 0.000 -0.302 -4.104) 4.115 5.356 ( 0.000 5.077 -3.197) 6.000 5.383 ( 0.000 0.863 -4.851) 4.927 5.431 ( 0.000 5.710 -0.350) 5.720 5.475 ( 0.000 0.824 -1.995) 2.159 5.577 ( 0.000 -9.143 -1.731) 9.305 5.592 ( 0.000 7.457 0.083) 7.458 5.645 ( 0.000 -1.787 2.246) 2.870 5.722 ( 0.000 -8.824 -3.770) 9.595 5.756 ( 0.000 5.207 -0.514) 5.232 5.759 ( 0.000 -5.974 -3.710) 7.032 5.866 ( 0.000 4.198 -0.583) 4.239 6.001 ( 0.000 -4.089 2.159) 4.624 6.041 ( 0.000 -0.714 -0.012) 0.714 6.109 ( 0.000 -4.917 -1.972) 5.298 6.148 ( 0.000 -5.097 -0.098) 5.098 6.595 ( 0.000 0.634 -4.700) 4.742 6.620 ( 0.000 -0.551 -5.134) 5.163 6.931 ( 0.000 0.320 11.850) 11.854 6.994 ( 0.000 -2.105 1.019) 2.338 6.999 ( 0.000 0.246 -0.909) 0.942 7.053 ( 0.000 -4.983 9.371) 10.613 7.657 ( 0.000 4.623 -4.254) 6.283 7.831 ( 0.000 -4.470 -4.392) 6.266 7.891 ( 0.000 7.693 -5.307) 9.346 8.080 ( 0.000 -2.191 -8.702) 8.973 8.200 ( 0.000 1.589 6.926) 7.106 8.274 ( 0.000 -0.002 -0.972) 0.972 8.293 ( 0.000 -0.586 -1.226) 1.359 8.308 ( 0.000 -3.060 7.582) 8.176 8.473 ( 0.000 4.044 -5.010) 6.439 8.638 ( 0.000 -3.600 -5.640) 6.691 8.651 ( 0.000 4.203 6.574) 7.803 8.762 ( 0.000 -2.338 11.742) 11.972 9.057 ( 0.000 -0.907 2.724) 2.871 9.068 ( 0.000 -1.276 2.404) 2.722 9.722 ( 0.000 1.266 -9.121) 9.208 9.746 ( 0.000 0.961 -7.954) 8.012 9.950 ( 0.000 0.470 1.727) 1.790 9.971 ( 0.000 -2.452 6.298) 6.759 10.080 ( 0.000 8.187 5.608) 9.924 10.147 ( 0.000 6.088 10.927) 12.509 10.321 ( 0.000 0.382 -0.140) 0.407 10.344 ( 0.000 -1.037 3.302) 3.461 10.412 ( 0.000 0.668 7.212) 7.243 10.491 ( 0.000 -8.487 6.906) 10.942 10.551 ( 0.000 -7.869 6.168) 9.998 10.641 ( 0.000 -6.207 1.023) 6.291 10.906 ( 0.000 5.281 -4.009) 6.630 10.947 ( 0.000 2.440 -5.620) 6.127 11.143 ( 0.000 -4.996 -3.838) 6.300 11.227 ( 0.000 5.495 -1.449) 5.683 11.246 ( 0.000 5.919 5.250) 7.912 11.344 ( 0.000 -6.687 0.186) 6.690 11.474 ( 0.000 -6.293 4.557) 7.770 11.547 ( 0.000 -5.364 -0.344) 5.375 11.898 ( 0.000 6.053 -5.510) 8.185 11.986 ( 0.000 1.267 -4.038) 4.232 13.017 ( 0.000 0.737 0.216) 0.768 13.058 ( 0.000 -1.349 0.911) 1.628 13.272 ( 0.000 1.393 -0.832) 1.623 13.302 ( 0.000 0.367 -0.630) 0.729 13.433 ( 0.000 6.235 1.863) 6.507 13.544 ( 0.000 6.420 1.840) 6.679 13.650 ( 0.000 3.618 0.360) 3.636 13.746 ( 0.000 2.428 1.350) 2.778 13.779 ( 0.000 1.929 4.264) 4.680 13.827 ( 0.000 -0.954 -0.922) 1.326 13.882 ( 0.000 -3.452 0.938) 3.577 14.064 ( 0.000 -8.461 1.442) 8.583 14.078 ( 0.000 4.927 1.692) 5.210 14.271 ( 0.000 -5.449 1.174) 5.574 14.335 ( 0.000 -1.154 2.163) 2.452 14.567 ( 0.000 -12.460 0.393) 12.467 15.155 ( 0.000 6.366 -10.296) 12.105 15.172 ( 0.000 5.632 -3.637) 6.704 15.279 ( 0.000 7.246 -12.642) 14.571 15.362 ( 0.000 -2.952 -2.118) 3.633 15.369 ( 0.000 -0.611 -1.644) 1.754 15.523 ( 0.000 -5.844 -6.118) 8.460 15.839 ( 0.000 6.680 -4.686) 8.160 15.999 ( 0.000 -1.193 -5.093) 5.231 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 19.428 15.626 7.425) 26.014 1.668 ( 9.755 21.838 14.918) 28.189 2.090 ( 3.609 -2.854 2.436) 5.206 2.132 ( -4.448 3.170 10.431) 11.774 2.227 ( -1.544 -2.986 3.204) 4.644 2.411 ( -9.080 3.046 9.019) 13.155 2.478 ( -9.555 -4.462 -3.248) 11.034 2.555 ( -1.107 5.148 9.973) 11.278 2.575 ( 1.705 4.519 6.197) 7.857 2.753 ( 6.165 2.979 9.308) 11.555 2.866 ( -1.858 -6.339 7.464) 9.967 2.945 ( 0.077 -7.136 0.577) 7.159 3.020 ( 8.566 11.813 6.016) 15.783 3.065 ( 5.744 -3.408 4.135) 7.855 3.203 ( -1.289 -11.175 0.320) 11.254 3.279 ( 0.818 -0.017 -0.666) 1.055 3.311 ( 2.097 -14.482 6.713) 16.099 3.463 ( -7.099 -15.374 5.026) 17.664 3.597 ( -5.168 -5.870 3.218) 8.457 3.696 ( 1.024 -3.208 -0.063) 3.368 3.862 ( -7.926 4.019 6.251) 10.865 4.058 ( 9.561 -5.057 1.403) 10.907 4.135 ( -15.054 5.856 0.735) 16.170 4.161 ( -6.431 5.406 -0.281) 8.406 4.247 ( 2.962 10.190 -3.058) 11.043 4.332 ( -3.064 1.165 0.938) 3.410 4.475 ( -4.434 -2.573 0.211) 5.130 4.535 ( -1.049 1.898 1.621) 2.707 4.574 ( -3.877 1.276 -3.160) 5.162 4.643 ( -2.631 1.201 -0.672) 2.969 4.823 ( 0.277 -6.132 -2.230) 6.531 4.874 ( -3.070 -6.829 0.707) 7.521 4.904 ( 1.363 -7.352 -1.669) 7.661 4.934 ( -0.036 3.770 -0.637) 3.824 5.037 ( -2.619 13.367 -3.548) 14.076 5.112 ( 2.858 7.175 -2.271) 8.051 5.216 ( 3.377 2.463 -6.621) 7.830 5.264 ( 0.151 6.092 -3.003) 6.794 5.329 ( 6.264 4.584 -4.028) 8.745 5.378 ( 5.227 3.947 -2.394) 6.973 5.417 ( 2.291 0.559 -6.071) 6.513 5.441 ( 3.179 1.502 0.272) 3.526 5.485 ( -2.421 3.422 1.188) 4.357 5.555 ( 3.020 -5.384 -2.651) 6.718 5.599 ( -0.302 1.770 -2.164) 2.812 5.656 ( -0.312 0.424 -4.296) 4.328 5.715 ( 1.073 -3.268 -1.145) 3.625 5.750 ( 0.824 -3.769 -1.327) 4.080 5.832 ( 2.955 -2.824 -2.232) 4.657 5.926 ( 3.578 0.499 0.541) 3.652 5.970 ( -1.885 -3.212 -0.153) 3.728 6.057 ( 0.437 -2.301 -1.811) 2.960 6.117 ( -0.369 -3.506 -0.695) 3.593 6.136 ( -0.041 -1.376 0.779) 1.582 6.582 ( -0.678 0.139 -4.932) 4.981 6.609 ( -0.991 -0.325 -4.813) 4.924 6.932 ( 0.665 -0.866 12.365) 12.413 6.989 ( -0.612 -1.423 2.555) 2.988 6.998 ( 0.089 -0.191 -1.619) 1.633 7.047 ( -1.004 -4.275 9.077) 10.083 7.683 ( 2.151 3.020 -5.181) 6.371 7.802 ( -2.103 -3.032 -5.742) 6.825 7.934 ( 3.168 6.363 -5.396) 8.925 8.067 ( -1.354 -0.388 -7.945) 8.069 8.236 ( 1.915 1.022 2.357) 3.204 8.252 ( 0.200 -0.700 1.596) 1.754 8.293 ( -1.179 -1.779 4.312) 4.811 8.320 ( 0.757 0.117 -1.336) 1.540 8.487 ( 1.326 2.038 0.823) 2.567 8.583 ( -2.691 -0.187 2.104) 3.421 8.685 ( 0.984 1.942 0.632) 2.267 8.733 ( -1.999 0.138 8.724) 8.951 9.066 ( 0.953 -0.720 2.429) 2.707 9.081 ( 0.699 -1.251 2.157) 2.590 9.672 ( -1.690 2.859 -8.802) 9.408 9.724 ( -2.122 0.076 -10.289) 10.506 9.975 ( 1.489 -1.171 0.867) 2.084 9.988 ( 0.652 -2.300 7.108) 7.499 10.114 ( 1.426 5.366 7.543) 9.367 10.149 ( 1.239 4.770 8.417) 9.754 10.253 ( -3.549 -0.468 2.247) 4.227 10.308 ( -3.616 -2.280 2.041) 4.737 10.422 ( 0.575 -5.759 7.520) 9.489 10.509 ( -2.192 -11.140 4.945) 12.383 10.547 ( 4.106 -0.192 4.375) 6.003 10.675 ( 0.404 -0.163 1.827) 1.878 10.946 ( 3.813 4.033 -2.446) 6.066 11.018 ( 4.389 0.572 -3.588) 5.698 11.157 ( -0.055 -0.126 0.202) 0.245 11.216 ( 1.806 2.023 -1.245) 2.984 11.224 ( -1.468 -1.829 -1.125) 2.601 11.419 ( 1.271 -3.515 1.803) 4.150 11.477 ( 1.814 -3.951 0.108) 4.349 11.554 ( 1.512 -3.809 1.994) 4.558 11.876 ( -1.497 5.213 -5.134) 7.468 11.949 ( -3.034 1.355 -4.025) 5.219 13.048 ( 2.595 0.437 0.136) 2.635 13.085 ( 2.327 -0.995 0.915) 2.691 13.224 ( -3.541 0.278 -0.864) 3.655 13.259 ( -3.521 1.003 0.416) 3.685 13.461 ( 2.022 6.369 0.961) 6.751 13.544 ( -0.544 8.576 1.090) 8.662 13.640 ( -0.041 2.088 1.215) 2.416 13.720 ( -1.973 2.616 0.742) 3.360 13.784 ( 0.958 0.474 2.566) 2.779 13.854 ( -1.931 -2.467 1.592) 3.514 13.893 ( 3.990 0.639 0.540) 4.077 14.024 ( -1.887 -0.933 0.610) 2.192 14.127 ( 2.228 -1.509 3.705) 4.579 14.210 ( -2.712 -2.303 3.394) 4.917 14.421 ( 4.719 -5.419 0.295) 7.192 14.554 ( -1.167 -11.595 -0.134) 11.654 15.049 ( -4.035 4.492 -7.456) 9.594 15.124 ( -7.181 10.092 -12.627) 17.688 15.312 ( 3.533 2.933 -3.121) 5.552 15.360 ( 1.922 -0.898 -1.767) 2.761 15.430 ( 2.498 0.885 -3.152) 4.118 15.492 ( -2.482 -5.366 -4.307) 7.315 15.826 ( -0.404 4.802 -4.485) 6.583 15.954 ( -3.755 -0.902 -4.738) 6.113 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -12.241 11.414 9.500) 19.245 1.919 ( 12.241 11.414 9.500) 19.245 2.005 ( -17.538 4.007 4.739) 18.604 2.005 ( 17.538 4.007 4.739) 18.604 2.254 ( -5.911 6.429 5.095) 10.111 2.254 ( 5.911 6.429 5.095) 10.111 2.365 ( -6.059 0.465 9.410) 11.201 2.365 ( 6.059 0.465 9.410) 11.201 2.765 ( -7.117 -7.391 3.732) 10.918 2.765 ( 7.117 -7.391 3.732) 10.918 2.883 ( -3.129 -8.388 -1.238) 9.038 2.883 ( 3.129 -8.388 -1.238) 9.038 3.186 ( -3.957 -12.443 3.506) 13.519 3.186 ( 3.957 -12.443 3.506) 13.519 3.281 ( -7.052 -9.090 3.935) 12.159 3.281 ( 7.052 -9.090 3.935) 12.159 3.394 ( -4.182 -2.530 4.393) 6.572 3.394 ( 4.182 -2.530 4.393) 6.572 3.530 ( -14.520 10.680 10.716) 20.969 3.530 ( 14.520 10.680 10.716) 20.969 3.789 ( -3.905 6.708 4.593) 9.019 3.789 ( 3.905 6.708 4.593) 9.019 4.221 ( -4.255 5.846 -3.414) 7.996 4.221 ( 4.255 5.846 -3.414) 7.996 4.269 ( -3.950 -0.108 -1.569) 4.252 4.269 ( 3.950 -0.108 -1.569) 4.252 4.419 ( -5.719 -3.401 3.245) 7.403 4.419 ( 5.719 -3.401 3.245) 7.403 4.560 ( -1.717 0.315 -0.869) 1.950 4.560 ( 1.717 0.315 -0.869) 1.950 4.855 ( -1.801 -10.887 -0.257) 11.038 4.855 ( 1.801 -10.887 -0.257) 11.038 4.943 ( -2.415 7.753 -1.452) 8.249 4.943 ( 2.415 7.753 -1.452) 8.249 5.074 ( -6.343 7.006 -2.408) 9.753 5.074 ( 6.343 7.006 -2.408) 9.753 5.223 ( -1.013 6.550 -3.190) 7.355 5.223 ( 1.013 6.550 -3.190) 7.355 5.374 ( -2.477 0.427 -3.625) 4.411 5.374 ( 2.477 0.427 -3.625) 4.411 5.504 ( -2.248 -1.505 -4.533) 5.279 5.504 ( 2.248 -1.505 -4.533) 5.279 5.561 ( -1.523 1.768 -6.586) 6.987 5.561 ( 1.523 1.768 -6.586) 6.987 5.645 ( -4.843 -0.726 -1.965) 5.277 5.645 ( 4.843 -0.726 -1.965) 5.277 5.730 ( -2.859 -2.223 1.818) 4.052 5.730 ( 2.859 -2.223 1.818) 4.052 5.887 ( -2.773 -5.136 -4.085) 7.124 5.887 ( 2.773 -5.136 -4.085) 7.124 6.035 ( -3.309 0.496 2.035) 3.917 6.035 ( 3.309 0.496 2.035) 3.917 6.120 ( -1.303 -1.268 -1.417) 2.305 6.120 ( 1.303 -1.268 -1.417) 2.305 6.584 ( -0.906 -0.280 -4.762) 4.855 6.584 ( 0.906 -0.280 -4.762) 4.855 6.964 ( -1.652 -1.992 9.434) 9.783 6.964 ( 1.652 -1.992 9.434) 9.783 7.013 ( -1.396 -1.444 2.214) 2.990 7.013 ( 1.396 -1.444 2.214) 2.990 7.744 ( -2.935 -0.127 -6.282) 6.935 7.744 ( 2.935 -0.127 -6.282) 6.935 8.013 ( -3.349 3.382 -6.557) 8.102 8.013 ( 3.349 3.382 -6.557) 8.102 8.255 ( -1.147 -0.895 0.615) 1.579 8.255 ( 1.147 -0.895 0.615) 1.579 8.306 ( -1.894 0.293 0.690) 2.037 8.306 ( 1.894 0.293 0.690) 2.037 8.529 ( -2.201 0.609 5.700) 6.141 8.529 ( 2.201 0.609 5.700) 6.141 8.699 ( -0.773 2.394 2.248) 3.374 8.699 ( 0.773 2.394 2.248) 3.374 9.086 ( -0.425 -0.956 2.171) 2.410 9.086 ( 0.425 -0.956 2.171) 2.410 9.676 ( -1.654 0.916 -10.843) 11.006 9.676 ( 1.654 0.916 -10.843) 11.006 9.994 ( -0.122 -1.470 4.465) 4.702 9.994 ( 0.122 -1.470 4.465) 4.702 10.151 ( -2.142 2.168 8.306) 8.847 10.151 ( 2.142 2.168 8.306) 8.847 10.229 ( -2.487 -0.624 2.695) 3.720 10.229 ( 2.487 -0.624 2.695) 3.720 10.458 ( -2.270 -9.640 4.845) 11.026 10.458 ( 2.270 -9.640 4.845) 11.026 10.635 ( -3.344 2.330 2.727) 4.903 10.635 ( 3.344 2.330 2.727) 4.903 11.043 ( -3.425 3.162 0.126) 4.663 11.043 ( 3.425 3.162 0.126) 4.663 11.167 ( -2.903 -1.902 -2.333) 4.182 11.167 ( 2.903 -1.902 -2.333) 4.182 11.331 ( -6.050 -3.610 -0.632) 7.074 11.331 ( 6.050 -3.610 -0.632) 7.074 11.563 ( -2.404 -1.213 0.939) 2.852 11.563 ( 2.404 -1.213 0.939) 2.852 11.876 ( -2.343 2.506 -4.287) 5.491 11.876 ( 2.343 2.506 -4.287) 5.491 13.119 ( -2.644 -0.289 0.217) 2.669 13.119 ( 2.644 -0.289 0.217) 2.669 13.175 ( -2.631 0.365 0.279) 2.671 13.175 ( 2.631 0.365 0.279) 2.671 13.510 ( -2.146 7.906 0.649) 8.218 13.510 ( 2.146 7.906 0.649) 8.218 13.669 ( -2.237 2.580 0.894) 3.530 13.669 ( 2.237 2.580 0.894) 3.530 13.813 ( -1.570 -0.616 2.266) 2.825 13.813 ( 1.570 -0.616 2.266) 2.825 13.973 ( -2.912 0.405 0.588) 2.998 13.973 ( 2.912 0.405 0.588) 2.998 14.166 ( -1.496 -1.292 4.812) 5.202 14.166 ( 1.496 -1.292 4.812) 5.202 14.510 ( -2.951 -9.213 -0.677) 9.698 14.510 ( 2.951 -9.213 -0.677) 9.698 15.014 ( -1.583 6.644 -9.170) 11.434 15.014 ( 1.583 6.644 -9.170) 11.434 15.376 ( -2.501 -0.940 -2.918) 3.956 15.376 ( 2.501 -0.940 -2.918) 3.956 15.456 ( -1.567 1.161 -2.737) 3.360 15.456 ( 1.567 1.161 -2.737) 3.360 15.860 ( -3.619 0.729 -4.332) 5.692 15.860 ( 3.619 0.729 -4.332) 5.692 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 -14.534 6.689) 16.000 1.638 ( 0.000 14.534 6.689) 16.000 2.147 ( 0.000 -14.850 4.026) 15.386 2.147 ( 0.000 14.850 4.026) 15.386 2.291 ( 0.000 -4.977 13.371) 14.268 2.291 ( 0.000 4.977 13.371) 14.268 2.451 ( 0.000 -0.118 -3.941) 3.943 2.451 ( 0.000 0.118 -3.941) 3.943 2.795 ( 0.000 -4.154 3.254) 5.277 2.795 ( 0.000 4.154 3.254) 5.277 2.957 ( 0.000 -7.855 3.775) 8.715 2.957 ( 0.000 7.855 3.775) 8.715 2.992 ( 0.000 -4.681 1.615) 4.952 2.992 ( 0.000 4.681 1.615) 4.952 3.247 ( 0.000 -14.780 9.157) 17.387 3.247 ( 0.000 14.780 9.157) 17.387 3.362 ( 0.000 -6.801 3.559) 7.676 3.362 ( 0.000 6.801 3.559) 7.676 3.458 ( 0.000 -20.711 9.933) 22.970 3.458 ( 0.000 20.711 9.933) 22.970 3.972 ( 0.000 -3.265 2.669) 4.217 3.972 ( 0.000 3.265 2.669) 4.217 4.211 ( 0.000 -7.318 -2.023) 7.593 4.211 ( 0.000 7.318 -2.023) 7.593 4.401 ( 0.000 -9.711 -4.551) 10.725 4.401 ( 0.000 9.711 -4.551) 10.725 4.485 ( 0.000 -6.890 -1.807) 7.123 4.485 ( 0.000 6.890 -1.807) 7.123 4.674 ( 0.000 -11.319 0.104) 11.319 4.674 ( 0.000 11.319 0.104) 11.319 4.840 ( 0.000 -0.703 -2.601) 2.694 4.840 ( 0.000 0.703 -2.601) 2.694 4.898 ( 0.000 -4.662 0.307) 4.672 4.898 ( 0.000 4.662 0.307) 4.672 5.166 ( 0.000 -1.719 -5.727) 5.979 5.166 ( 0.000 1.719 -5.727) 5.979 5.303 ( 0.000 -7.215 -2.249) 7.558 5.303 ( 0.000 7.215 -2.249) 7.558 5.335 ( 0.000 -11.915 -1.662) 12.030 5.335 ( 0.000 11.915 -1.662) 12.030 5.428 ( 0.000 -0.879 -3.253) 3.370 5.428 ( 0.000 0.879 -3.253) 3.370 5.506 ( 0.000 -4.717 3.186) 5.692 5.506 ( 0.000 4.717 3.186) 5.692 5.552 ( 0.000 -1.938 -7.121) 7.380 5.552 ( 0.000 1.938 -7.121) 7.380 5.692 ( 0.000 -2.682 -0.414) 2.713 5.692 ( 0.000 2.682 -0.414) 2.713 5.877 ( 0.000 -6.591 -0.576) 6.616 5.877 ( 0.000 6.591 -0.576) 6.616 5.991 ( 0.000 -5.639 0.817) 5.698 5.991 ( 0.000 5.639 0.817) 5.698 6.070 ( 0.000 -2.370 1.148) 2.633 6.070 ( 0.000 2.370 1.148) 2.633 6.607 ( 0.000 -0.659 -4.713) 4.759 6.607 ( 0.000 0.659 -4.713) 4.759 6.950 ( 0.000 -1.707 10.654) 10.790 6.950 ( 0.000 1.707 10.654) 10.790 7.009 ( 0.000 -0.961 -0.424) 1.050 7.009 ( 0.000 0.961 -0.424) 1.050 7.746 ( 0.000 -4.720 -4.460) 6.494 7.746 ( 0.000 4.720 -4.460) 6.494 8.012 ( 0.000 -5.083 -7.893) 9.388 8.012 ( 0.000 5.083 -7.893) 9.388 8.239 ( 0.000 -2.603 8.217) 8.619 8.239 ( 0.000 2.603 8.217) 8.619 8.288 ( 0.000 -0.000 -0.743) 0.743 8.288 ( 0.000 0.000 -0.743) 0.743 8.557 ( 0.000 -4.694 -6.179) 7.759 8.557 ( 0.000 4.694 -6.179) 7.759 8.719 ( 0.000 -2.874 8.514) 8.986 8.719 ( 0.000 2.874 8.514) 8.986 9.051 ( 0.000 -0.346 2.995) 3.015 9.051 ( 0.000 0.346 2.995) 3.015 9.748 ( 0.000 -0.750 -9.886) 9.914 9.748 ( 0.000 0.750 -9.886) 9.914 9.952 ( 0.000 -0.015 3.498) 3.498 9.952 ( 0.000 0.015 3.498) 3.498 10.237 ( 0.000 -2.933 5.568) 6.293 10.237 ( 0.000 2.933 5.568) 6.293 10.284 ( 0.000 -0.972 6.807) 6.876 10.284 ( 0.000 0.972 6.807) 6.876 10.397 ( 0.000 -3.558 6.677) 7.565 10.397 ( 0.000 3.558 6.677) 7.565 10.533 ( 0.000 -5.961 2.014) 6.292 10.533 ( 0.000 5.961 2.014) 6.292 10.997 ( 0.000 -2.485 -3.875) 4.603 10.997 ( 0.000 2.485 -3.875) 4.603 11.117 ( 0.000 -6.901 -4.283) 8.122 11.117 ( 0.000 6.901 -4.283) 8.122 11.355 ( 0.000 -4.745 4.440) 6.499 11.355 ( 0.000 4.745 4.440) 6.499 11.429 ( 0.000 -6.309 1.268) 6.435 11.429 ( 0.000 6.309 1.268) 6.435 11.976 ( 0.000 -2.332 -5.024) 5.539 11.976 ( 0.000 2.332 -5.024) 5.539 13.035 ( 0.000 -1.088 0.579) 1.233 13.035 ( 0.000 1.088 0.579) 1.233 13.296 ( 0.000 -0.767 -0.806) 1.113 13.296 ( 0.000 0.767 -0.806) 1.113 13.545 ( 0.000 -4.626 2.828) 5.422 13.545 ( 0.000 4.626 2.828) 5.422 13.751 ( 0.000 -3.152 0.264) 3.163 13.751 ( 0.000 3.152 0.264) 3.163 13.819 ( 0.000 -0.093 -0.455) 0.464 13.819 ( 0.000 0.093 -0.455) 0.464 13.887 ( 0.000 -8.166 2.800) 8.632 13.887 ( 0.000 8.166 2.800) 8.632 14.172 ( 0.000 -5.126 1.017) 5.226 14.172 ( 0.000 5.126 1.017) 5.226 14.384 ( 0.000 -6.574 2.053) 6.887 14.384 ( 0.000 6.574 2.053) 6.887 15.222 ( 0.000 -0.371 -5.922) 5.934 15.222 ( 0.000 0.371 -5.922) 5.934 15.337 ( 0.000 -0.658 -0.903) 1.117 15.337 ( 0.000 0.658 -0.903) 1.117 15.411 ( 0.000 -6.009 -9.570) 11.300 15.411 ( 0.000 6.009 -9.570) 11.300 15.946 ( 0.000 -4.492 -4.929) 6.669 15.946 ( 0.000 4.492 -4.929) 6.669 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 10.161 0.000 5.309) 11.464 1.790 ( 11.761 -0.000 4.539) 12.606 2.120 ( 0.117 0.000 0.568) 0.580 2.176 ( -7.114 0.000 5.377) 8.918 2.291 ( 6.777 0.000 9.579) 11.734 2.309 ( 0.633 -0.000 15.498) 15.511 2.396 ( 1.266 0.000 -3.281) 3.517 2.546 ( 2.916 -0.000 -3.091) 4.250 2.665 ( -5.606 -0.000 4.186) 6.997 2.739 ( -10.140 0.000 3.946) 10.881 2.869 ( -2.344 0.000 7.308) 7.675 2.891 ( -5.747 -0.000 3.476) 6.716 3.001 ( -1.890 0.000 4.538) 4.916 3.040 ( 1.071 0.000 6.251) 6.342 3.172 ( -6.635 -0.000 5.848) 8.844 3.231 ( 1.550 0.000 9.227) 9.356 3.358 ( -6.016 0.000 -3.466) 6.943 3.404 ( 5.602 -0.000 5.461) 7.823 3.409 ( 8.311 0.000 3.656) 9.080 3.686 ( 8.918 0.000 10.560) 13.822 3.864 ( 0.377 0.000 7.048) 7.058 3.927 ( -5.656 0.000 8.377) 10.108 4.220 ( -6.075 0.000 -6.514) 8.907 4.244 ( 1.124 -0.000 0.039) 1.125 4.247 ( -0.267 0.000 -0.200) 0.334 4.411 ( -4.739 0.000 -0.804) 4.806 4.505 ( -1.736 0.000 -1.633) 2.384 4.582 ( 2.536 -0.000 1.357) 2.876 4.615 ( -0.143 -0.000 -0.653) 0.668 4.625 ( -6.174 0.000 4.090) 7.406 4.683 ( -7.056 -0.000 -3.585) 7.914 4.717 ( -9.923 0.000 -1.167) 9.991 4.907 ( 3.882 0.000 -2.832) 4.805 4.941 ( 6.291 -0.000 -0.889) 6.353 5.186 ( -2.541 0.000 -6.098) 6.606 5.240 ( 3.639 -0.000 -7.877) 8.677 5.249 ( -1.798 0.000 -2.715) 3.257 5.345 ( -1.188 0.000 -1.854) 2.202 5.364 ( 0.239 0.000 -2.776) 2.786 5.371 ( 1.634 -0.000 -5.343) 5.587 5.444 ( 2.638 -0.000 -0.450) 2.676 5.464 ( 6.126 0.000 -0.370) 6.137 5.490 ( -0.407 0.000 -9.875) 9.883 5.555 ( 1.678 0.000 -7.020) 7.218 5.563 ( 4.476 -0.000 -1.624) 4.761 5.633 ( -0.073 0.000 0.292) 0.301 5.691 ( 2.693 0.000 -1.963) 3.333 5.727 ( 1.362 0.000 1.335) 1.908 5.830 ( -1.756 -0.000 1.220) 2.139 5.872 ( -1.753 0.000 -1.140) 2.091 5.983 ( 1.705 -0.000 1.213) 2.092 6.042 ( 0.980 0.000 -1.095) 1.469 6.050 ( 1.185 0.000 0.752) 1.403 6.126 ( 1.729 0.000 2.313) 2.887 6.583 ( -1.011 0.000 -4.789) 4.894 6.605 ( -0.851 0.000 -4.649) 4.726 6.926 ( -0.305 0.000 11.534) 11.538 6.967 ( -0.194 0.000 12.016) 12.018 6.998 ( -0.400 0.000 -0.779) 0.876 7.012 ( -0.267 -0.000 -0.814) 0.856 7.739 ( -0.015 0.000 -5.760) 5.760 7.746 ( -0.159 -0.000 -5.484) 5.486 8.021 ( 1.125 0.000 -7.857) 7.937 8.037 ( 1.078 -0.000 -7.121) 7.202 8.244 ( -0.503 0.000 0.607) 0.788 8.258 ( 0.478 0.000 5.821) 5.841 8.265 ( 1.345 -0.000 4.242) 4.450 8.322 ( 0.809 0.000 -0.629) 1.025 8.519 ( -0.907 0.000 -0.241) 0.939 8.568 ( -0.663 0.000 -1.004) 1.203 8.718 ( 0.039 -0.000 4.601) 4.601 8.725 ( 0.271 0.000 5.215) 5.222 9.060 ( 0.905 0.000 2.895) 3.033 9.067 ( 0.832 0.000 2.673) 2.799 9.702 ( -2.378 0.000 -9.189) 9.492 9.728 ( -1.841 0.000 -12.097) 12.237 9.960 ( 1.221 0.000 2.150) 2.473 9.970 ( 0.280 0.000 5.533) 5.541 10.222 ( -2.259 -0.000 7.879) 8.196 10.225 ( -2.902 0.000 8.559) 9.037 10.251 ( 0.809 0.000 3.546) 3.637 10.270 ( -1.405 -0.000 2.191) 2.602 10.324 ( -2.643 0.000 6.783) 7.280 10.340 ( -1.910 -0.000 8.617) 8.826 10.601 ( 4.633 0.000 1.350) 4.825 10.658 ( 4.670 -0.000 2.825) 5.458 11.029 ( 4.312 0.000 -2.582) 5.026 11.038 ( -1.576 -0.000 -2.972) 3.364 11.105 ( 5.820 0.000 -1.567) 6.027 11.126 ( -2.223 -0.000 -1.186) 2.519 11.307 ( -3.368 0.000 -0.972) 3.505 11.383 ( -2.350 -0.000 -0.376) 2.380 11.454 ( 5.770 0.000 2.920) 6.466 11.497 ( 4.284 -0.000 2.437) 4.929 11.941 ( -2.616 0.000 -4.909) 5.563 11.945 ( -2.562 -0.000 -4.821) 5.459 13.054 ( 2.096 0.000 0.126) 2.099 13.074 ( 2.876 0.000 0.981) 3.038 13.227 ( -3.963 0.000 -1.006) 4.089 13.268 ( -3.526 0.000 0.541) 3.567 13.550 ( 2.183 0.000 0.822) 2.333 13.608 ( 3.192 -0.000 3.269) 4.569 13.702 ( -3.287 0.000 0.004) 3.287 13.745 ( -2.375 0.000 1.678) 2.908 13.784 ( 0.056 -0.000 -0.379) 0.383 13.804 ( -0.757 0.000 -0.353) 0.835 13.931 ( 2.940 0.000 2.196) 3.670 13.946 ( 2.403 -0.000 1.791) 2.997 14.156 ( -0.466 0.000 1.795) 1.854 14.173 ( -0.230 -0.000 3.346) 3.354 14.395 ( 0.935 -0.000 1.109) 1.451 14.404 ( 0.996 0.000 1.732) 1.998 15.096 ( -3.628 0.000 -8.467) 9.211 15.228 ( -7.195 0.000 -9.948) 12.277 15.311 ( -0.749 0.000 -2.193) 2.318 15.401 ( 5.995 -0.000 -3.607) 6.996 15.404 ( -1.304 0.000 -4.774) 4.949 15.435 ( 2.835 0.000 -2.888) 4.047 15.901 ( -2.844 0.000 -5.060) 5.805 15.919 ( -2.687 -0.000 -4.183) 4.972 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -7.729 0.000 1.548) 7.882 1.992 ( 7.729 -0.000 1.548) 7.882 2.057 ( -7.608 -0.000 3.640) 8.434 2.057 ( 7.608 0.000 3.640) 8.434 2.323 ( -0.614 0.000 8.301) 8.324 2.323 ( 0.614 0.000 8.301) 8.324 2.569 ( -0.053 0.000 3.853) 3.853 2.569 ( 0.053 -0.000 3.853) 3.853 2.586 ( -6.433 0.000 5.070) 8.191 2.586 ( 6.433 -0.000 5.070) 8.191 2.752 ( -0.751 0.000 5.101) 5.156 2.752 ( 0.751 0.000 5.101) 5.156 3.014 ( -2.518 0.000 5.873) 6.390 3.014 ( 2.518 0.000 5.873) 6.390 3.185 ( -6.311 0.000 0.135) 6.313 3.185 ( 6.311 0.000 0.135) 6.313 3.370 ( -7.494 0.000 6.664) 10.029 3.370 ( 7.494 0.000 6.664) 10.029 3.652 ( -9.222 0.000 5.351) 10.662 3.652 ( 9.222 0.000 5.351) 10.662 3.951 ( -4.729 0.000 6.196) 7.794 3.951 ( 4.729 0.000 6.196) 7.794 4.148 ( -11.522 0.000 5.752) 12.878 4.148 ( 11.522 0.000 5.752) 12.878 4.299 ( -1.381 0.000 0.425) 1.445 4.299 ( 1.381 0.000 0.425) 1.445 4.432 ( -0.635 0.000 -2.034) 2.130 4.432 ( 0.635 0.000 -2.034) 2.130 4.611 ( -1.386 0.000 0.882) 1.643 4.611 ( 1.386 0.000 0.882) 1.643 4.656 ( -0.071 0.000 -1.336) 1.337 4.656 ( 0.071 -0.000 -1.336) 1.337 5.013 ( -3.203 0.000 -3.555) 4.785 5.013 ( 3.203 0.000 -3.555) 4.785 5.170 ( -3.895 0.000 -2.248) 4.497 5.170 ( 3.895 0.000 -2.248) 4.497 5.314 ( -0.723 0.000 -3.643) 3.714 5.314 ( 0.723 -0.000 -3.643) 3.714 5.347 ( -2.038 0.000 -7.029) 7.319 5.347 ( 2.038 -0.000 -7.029) 7.319 5.505 ( -1.114 0.000 -6.758) 6.849 5.505 ( 1.114 0.000 -6.758) 6.849 5.556 ( -4.546 0.000 -4.061) 6.095 5.556 ( 4.546 -0.000 -4.061) 6.095 5.641 ( -0.300 0.000 -3.222) 3.236 5.641 ( 0.300 0.000 -3.222) 3.236 5.728 ( -1.192 -0.000 -0.587) 1.329 5.728 ( 1.192 0.000 -0.587) 1.329 5.821 ( -1.576 0.000 1.279) 2.030 5.821 ( 1.576 0.000 1.279) 2.030 6.036 ( -2.042 0.000 2.132) 2.952 6.036 ( 2.042 0.000 2.132) 2.952 6.108 ( -3.227 0.000 -0.320) 3.243 6.108 ( 3.227 0.000 -0.320) 3.243 6.581 ( -0.849 0.000 -4.586) 4.664 6.581 ( 0.849 0.000 -4.586) 4.664 6.942 ( -1.488 0.000 13.555) 13.636 6.942 ( 1.488 0.000 13.555) 13.636 7.001 ( -0.567 0.000 -1.964) 2.044 7.001 ( 0.567 0.000 -1.964) 2.044 7.743 ( -0.167 0.000 -6.599) 6.601 7.743 ( 0.167 0.000 -6.599) 6.601 8.044 ( -0.537 0.000 -7.188) 7.208 8.044 ( 0.537 0.000 -7.188) 7.208 8.246 ( -0.829 0.000 0.932) 1.247 8.246 ( 0.829 0.000 0.932) 1.247 8.309 ( -1.848 0.000 1.097) 2.149 8.309 ( 1.848 0.000 1.097) 2.149 8.536 ( -1.813 0.000 5.404) 5.700 8.536 ( 1.813 0.000 5.404) 5.700 8.723 ( -0.354 0.000 1.407) 1.451 8.723 ( 0.354 0.000 1.407) 1.451 9.076 ( -0.208 0.000 2.622) 2.631 9.076 ( 0.208 0.000 2.622) 2.631 9.686 ( -1.131 0.000 -11.706) 11.761 9.686 ( 1.131 0.000 -11.706) 11.761 9.975 ( -0.117 0.000 4.769) 4.771 9.975 ( 0.117 0.000 4.769) 4.771 10.180 ( -0.285 -0.000 7.857) 7.862 10.180 ( 0.285 0.000 7.857) 7.862 10.265 ( -0.085 0.000 2.903) 2.904 10.265 ( 0.085 -0.000 2.903) 2.904 10.306 ( -0.894 0.000 7.741) 7.792 10.306 ( 0.894 -0.000 7.741) 7.792 10.683 ( -2.094 0.000 1.752) 2.731 10.683 ( 2.094 0.000 1.752) 2.731 11.056 ( -2.765 0.000 -0.569) 2.823 11.056 ( 2.765 0.000 -0.569) 2.823 11.148 ( -4.385 0.000 -0.484) 4.412 11.148 ( 4.385 0.000 -0.484) 4.412 11.295 ( -4.297 0.000 -1.687) 4.616 11.295 ( 4.297 0.000 -1.687) 4.616 11.554 ( -0.986 0.000 0.959) 1.376 11.554 ( 0.986 0.000 0.959) 1.376 11.900 ( -0.171 0.000 -4.660) 4.663 11.900 ( 0.171 0.000 -4.660) 4.663 13.116 ( -2.326 0.000 0.175) 2.333 13.116 ( 2.326 0.000 0.175) 2.333 13.179 ( -2.962 0.000 0.384) 2.986 13.179 ( 2.962 0.000 0.384) 2.986 13.619 ( -3.531 0.000 0.035) 3.531 13.619 ( 3.531 0.000 0.035) 3.531 13.681 ( -2.946 0.000 2.524) 3.880 13.681 ( 2.946 0.000 2.524) 3.880 13.794 ( -0.403 0.000 -0.414) 0.578 13.794 ( 0.403 0.000 -0.414) 0.578 13.971 ( -0.313 0.000 1.553) 1.585 13.971 ( 0.313 0.000 1.553) 1.585 14.162 ( -0.741 0.000 4.327) 4.390 14.162 ( 0.741 0.000 4.327) 4.390 14.412 ( -0.340 0.000 0.860) 0.925 14.412 ( 0.340 0.000 0.860) 0.925 15.089 ( -3.422 0.000 -11.154) 11.667 15.089 ( 3.422 0.000 -11.154) 11.667 15.337 ( -2.768 0.000 -1.169) 3.005 15.337 ( 2.768 0.000 -1.169) 3.005 15.488 ( -0.361 0.000 -3.385) 3.404 15.488 ( 0.361 0.000 -3.385) 3.404 15.866 ( -0.729 0.000 -4.273) 4.335 15.866 ( 0.729 0.000 -4.273) 4.335 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 0.000 23.075) 23.075 1.493 ( 0.000 0.000 35.505) 35.505 2.055 ( 0.000 0.000 -7.076) 7.076 2.410 ( 0.000 0.000 53.930) 53.930 2.482 ( 0.000 0.000 2.152) 2.152 2.627 ( 0.000 0.000 10.348) 10.348 2.675 ( 0.000 0.000 10.206) 10.206 2.775 ( 0.000 0.000 0.723) 0.723 2.919 ( 0.000 0.000 1.055) 1.055 2.931 ( 0.000 0.000 7.907) 7.907 2.961 ( 0.000 0.000 11.902) 11.902 3.016 ( 0.000 0.000 18.191) 18.191 3.190 ( 0.000 0.000 -1.358) 1.358 3.412 ( 0.000 0.000 10.866) 10.866 3.419 ( 0.000 0.000 -10.215) 10.215 3.422 ( 0.000 0.000 3.771) 3.771 3.521 ( 0.000 0.000 9.161) 9.161 3.705 ( 0.000 0.000 2.434) 2.434 3.748 ( 0.000 0.000 0.988) 0.988 3.888 ( 0.000 0.000 7.062) 7.062 3.937 ( 0.000 0.000 1.881) 1.881 3.964 ( 0.000 0.000 4.118) 4.118 4.077 ( 0.000 0.000 0.607) 0.607 4.251 ( 0.000 0.000 10.823) 10.823 4.261 ( 0.000 0.000 -6.192) 6.192 4.291 ( 0.000 0.000 -4.445) 4.445 4.462 ( 0.000 0.000 1.283) 1.283 4.541 ( 0.000 0.000 2.833) 2.833 4.590 ( 0.000 0.000 5.980) 5.980 4.684 ( 0.000 0.000 -0.230) 0.230 4.686 ( 0.000 0.000 2.853) 2.853 4.707 ( 0.000 0.000 -8.923) 8.923 4.721 ( 0.000 0.000 2.779) 2.779 4.970 ( 0.000 0.000 3.950) 3.950 4.984 ( 0.000 0.000 -5.867) 5.867 5.005 ( 0.000 0.000 2.162) 2.162 5.116 ( 0.000 0.000 1.102) 1.102 5.128 ( 0.000 0.000 -1.124) 1.124 5.153 ( 0.000 0.000 -6.009) 6.009 5.208 ( 0.000 0.000 4.195) 4.195 5.322 ( 0.000 0.000 -2.785) 2.785 5.388 ( 0.000 0.000 4.510) 4.510 5.392 ( 0.000 0.000 -2.325) 2.325 5.524 ( 0.000 0.000 -1.860) 1.860 5.605 ( 0.000 0.000 -0.697) 0.697 5.618 ( 0.000 0.000 -1.813) 1.813 5.656 ( 0.000 0.000 2.424) 2.424 5.787 ( 0.000 0.000 -6.847) 6.847 5.813 ( 0.000 0.000 -5.464) 5.464 5.879 ( 0.000 0.000 -1.479) 1.479 6.000 ( 0.000 0.000 -5.674) 5.674 6.037 ( 0.000 0.000 0.704) 0.704 6.121 ( 0.000 0.000 -5.562) 5.562 6.223 ( 0.000 0.000 -3.005) 3.005 6.403 ( 0.000 0.000 -11.269) 11.269 6.475 ( 0.000 0.000 -10.472) 10.472 6.905 ( 0.000 0.000 -5.303) 5.303 7.015 ( 0.000 0.000 1.423) 1.423 7.187 ( 0.000 0.000 7.027) 7.027 7.254 ( 0.000 0.000 -6.086) 6.086 7.455 ( 0.000 0.000 -3.908) 3.908 7.650 ( 0.000 0.000 -2.278) 2.278 7.861 ( 0.000 0.000 -9.436) 9.436 7.886 ( 0.000 0.000 -9.310) 9.310 8.103 ( 0.000 0.000 -2.506) 2.506 8.236 ( 0.000 0.000 0.130) 0.130 8.419 ( 0.000 0.000 1.431) 1.431 8.452 ( 0.000 0.000 10.759) 10.759 8.515 ( 0.000 0.000 5.441) 5.441 8.576 ( 0.000 0.000 -5.037) 5.037 8.641 ( 0.000 0.000 5.032) 5.032 9.041 ( 0.000 0.000 3.299) 3.299 9.106 ( 0.000 0.000 1.827) 1.827 9.134 ( 0.000 0.000 2.992) 2.992 9.569 ( 0.000 0.000 -13.960) 13.960 9.596 ( 0.000 0.000 -6.783) 6.783 10.020 ( 0.000 0.000 3.524) 3.524 10.033 ( 0.000 0.000 7.625) 7.625 10.172 ( 0.000 0.000 -1.639) 1.639 10.182 ( 0.000 0.000 5.050) 5.050 10.258 ( 0.000 0.000 11.237) 11.237 10.512 ( 0.000 0.000 -2.557) 2.557 10.532 ( 0.000 0.000 5.083) 5.083 10.749 ( 0.000 0.000 0.675) 0.675 10.816 ( 0.000 0.000 0.226) 0.226 10.907 ( 0.000 0.000 0.858) 0.858 10.909 ( 0.000 0.000 3.704) 3.704 10.961 ( 0.000 0.000 1.187) 1.187 11.081 ( 0.000 0.000 -2.426) 2.426 11.086 ( 0.000 0.000 5.379) 5.379 11.231 ( 0.000 0.000 -5.456) 5.456 11.532 ( 0.000 0.000 2.729) 2.729 11.567 ( 0.000 0.000 -4.872) 4.872 11.603 ( 0.000 0.000 -2.801) 2.801 11.785 ( 0.000 0.000 -2.690) 2.690 11.790 ( 0.000 0.000 0.274) 0.274 13.042 ( 0.000 0.000 -0.011) 0.011 13.133 ( 0.000 0.000 2.403) 2.403 13.209 ( 0.000 0.000 -1.893) 1.893 13.271 ( 0.000 0.000 0.615) 0.615 13.339 ( 0.000 0.000 1.787) 1.787 13.409 ( 0.000 0.000 2.235) 2.235 13.469 ( 0.000 0.000 -0.622) 0.622 13.563 ( 0.000 0.000 -0.869) 0.869 13.833 ( 0.000 0.000 -0.306) 0.306 13.888 ( 0.000 0.000 5.958) 5.958 13.977 ( 0.000 0.000 1.433) 1.433 14.103 ( 0.000 0.000 8.300) 8.300 14.258 ( 0.000 0.000 3.547) 3.547 14.446 ( 0.000 0.000 1.918) 1.918 14.500 ( 0.000 0.000 2.714) 2.714 14.541 ( 0.000 0.000 8.332) 8.332 14.762 ( 0.000 0.000 -9.793) 9.793 14.937 ( 0.000 0.000 -2.329) 2.329 15.176 ( 0.000 0.000 -6.593) 6.593 15.176 ( 0.000 0.000 -0.856) 0.856 15.358 ( 0.000 0.000 -4.828) 4.828 15.554 ( 0.000 0.000 -7.924) 7.924 15.575 ( 0.000 0.000 -5.657) 5.657 15.833 ( 0.000 0.000 -9.063) 9.063 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 27.024 0.000 17.949) 32.442 1.671 ( 14.467 0.000 28.569) 32.023 2.164 ( 8.305 0.000 -2.473) 8.666 2.345 ( -9.033 0.000 6.148) 10.927 2.484 ( -13.993 0.000 21.372) 25.546 2.519 ( 8.763 0.000 39.478) 40.439 2.677 ( -0.642 0.000 6.597) 6.628 2.850 ( -2.402 0.000 5.396) 5.906 2.884 ( 0.166 0.000 2.569) 2.575 2.935 ( 6.308 0.000 0.630) 6.339 3.037 ( -8.557 0.000 6.788) 10.923 3.038 ( 3.053 0.000 11.665) 12.058 3.087 ( -1.991 0.000 0.854) 2.166 3.182 ( -1.898 0.000 -3.107) 3.641 3.339 ( 7.797 0.000 12.619) 14.833 3.549 ( -3.388 0.000 5.177) 6.188 3.681 ( -0.471 0.000 0.199) 0.512 3.798 ( 3.442 0.000 3.437) 4.864 3.815 ( 1.240 0.000 3.021) 3.265 3.838 ( -6.690 0.000 2.573) 7.168 3.925 ( 0.750 0.000 -5.225) 5.279 3.958 ( 6.942 0.000 8.302) 10.822 4.031 ( -16.526 0.000 10.037) 19.335 4.125 ( 5.674 0.000 1.670) 5.915 4.219 ( -2.910 0.000 11.195) 11.567 4.329 ( 1.808 0.000 -3.529) 3.965 4.340 ( -5.144 0.000 -1.015) 5.243 4.420 ( -3.402 0.000 0.145) 3.405 4.542 ( -7.424 0.000 3.917) 8.394 4.546 ( -3.572 0.000 0.836) 3.668 4.649 ( -4.955 0.000 4.159) 6.469 4.709 ( -0.973 0.000 3.718) 3.843 4.787 ( 2.558 0.000 -5.881) 6.413 4.932 ( 2.034 0.000 -0.122) 2.038 4.970 ( -5.547 0.000 -4.643) 7.233 5.073 ( -2.873 0.000 -0.279) 2.887 5.192 ( 6.035 0.000 -4.633) 7.608 5.205 ( 0.585 0.000 3.641) 3.688 5.254 ( 5.838 0.000 -8.048) 9.942 5.278 ( 1.278 0.000 2.708) 2.994 5.288 ( 10.118 0.000 -0.785) 10.148 5.347 ( -0.517 0.000 0.902) 1.040 5.399 ( -1.754 0.000 -1.924) 2.603 5.539 ( 0.906 0.000 0.964) 1.323 5.607 ( 5.806 0.000 -5.327) 7.879 5.693 ( -0.499 0.000 -4.076) 4.106 5.756 ( 4.273 0.000 -5.111) 6.662 5.767 ( 0.918 0.000 -3.662) 3.776 5.781 ( -1.815 0.000 -1.660) 2.459 5.907 ( 2.197 0.000 -0.844) 2.353 5.966 ( -2.983 0.000 -3.683) 4.739 6.051 ( 1.529 0.000 -2.385) 2.833 6.117 ( -0.509 0.000 -5.249) 5.273 6.143 ( -6.426 0.000 -2.097) 6.759 6.413 ( 1.036 0.000 -10.680) 10.730 6.472 ( -0.534 0.000 -9.965) 9.980 6.916 ( 1.020 0.000 -4.120) 4.245 6.994 ( -1.705 0.000 0.779) 1.874 7.197 ( 1.633 0.000 4.761) 5.033 7.278 ( 0.440 0.000 -1.323) 1.394 7.528 ( 6.015 0.000 -5.882) 8.413 7.673 ( 2.062 0.000 -3.339) 3.924 7.812 ( -4.147 0.000 -8.607) 9.554 7.835 ( -3.957 0.000 -8.303) 9.198 8.155 ( 4.184 0.000 -2.029) 4.649 8.245 ( 0.952 0.000 0.226) 0.979 8.359 ( -3.651 0.000 1.623) 3.996 8.386 ( -4.684 0.000 3.408) 5.793 8.568 ( 3.076 0.000 4.646) 5.572 8.641 ( 4.832 0.000 3.486) 5.958 8.643 ( -0.064 0.000 4.595) 4.596 8.970 ( -6.825 0.000 8.387) 10.813 9.127 ( 1.545 0.000 2.293) 2.765 9.148 ( 0.903 0.000 2.980) 3.114 9.439 ( -3.932 0.000 -8.830) 9.666 9.557 ( -4.615 0.000 -11.272) 12.180 10.063 ( 4.164 0.000 4.108) 5.849 10.149 ( -0.303 0.000 1.069) 1.111 10.162 ( 7.223 0.000 5.106) 8.846 10.194 ( -0.445 0.000 2.747) 2.783 10.235 ( -2.028 0.000 9.714) 9.924 10.450 ( -5.657 0.000 5.962) 8.219 10.553 ( 3.479 0.000 -1.691) 3.869 10.774 ( 1.761 0.000 -0.016) 1.761 10.787 ( -4.792 0.000 2.588) 5.446 10.864 ( -2.021 0.000 -0.376) 2.056 10.886 ( 1.642 0.000 -1.042) 1.944 11.039 ( 3.773 0.000 2.954) 4.792 11.052 ( -2.907 0.000 -2.568) 3.879 11.111 ( 1.324 0.000 4.284) 4.484 11.293 ( 4.999 0.000 -3.568) 6.142 11.550 ( -4.367 0.000 -2.455) 5.010 11.591 ( 4.337 0.000 1.282) 4.523 11.592 ( 2.267 0.000 -4.228) 4.797 11.745 ( -3.397 0.000 -0.182) 3.402 11.762 ( -2.056 0.000 -2.136) 2.965 13.071 ( 2.617 0.000 0.592) 2.683 13.146 ( 1.032 0.000 1.855) 2.123 13.200 ( -0.854 0.000 -1.172) 1.450 13.238 ( -3.030 0.000 0.886) 3.157 13.346 ( 0.839 0.000 1.588) 1.796 13.398 ( -0.918 0.000 2.087) 2.280 13.477 ( 0.800 0.000 -0.647) 1.029 13.542 ( -1.621 0.000 -0.742) 1.783 13.852 ( 1.578 0.000 -0.442) 1.639 13.930 ( 3.133 0.000 6.997) 7.666 13.950 ( -2.107 0.000 0.560) 2.180 14.070 ( -2.475 0.000 10.189) 10.486 14.281 ( 2.209 0.000 5.211) 5.660 14.431 ( -3.456 0.000 7.536) 8.291 14.488 ( 3.208 0.000 -3.136) 4.486 14.678 ( 8.883 0.000 2.102) 9.129 14.682 ( -5.039 0.000 -8.976) 10.293 15.015 ( 4.735 0.000 -4.184) 6.319 15.096 ( -6.730 0.000 -0.733) 6.770 15.160 ( -1.459 0.000 -6.410) 6.574 15.394 ( 2.907 0.000 -4.822) 5.630 15.546 ( -2.444 0.000 -5.319) 5.854 15.593 ( 3.368 0.000 -7.819) 8.514 15.793 ( -3.468 0.000 -8.706) 9.371 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -15.843 0.000 15.526) 22.182 2.040 ( 15.843 0.000 15.526) 22.182 2.062 ( -23.150 0.000 21.320) 31.471 2.062 ( 23.150 0.000 21.320) 31.471 2.444 ( -13.965 0.000 5.076) 14.859 2.444 ( 13.965 0.000 5.076) 14.859 2.746 ( -8.540 0.000 3.925) 9.399 2.746 ( 8.540 0.000 3.925) 9.399 2.894 ( -2.853 0.000 2.979) 4.125 2.894 ( 2.853 0.000 2.979) 4.125 3.053 ( -2.982 0.000 10.762) 11.168 3.053 ( 2.982 0.000 10.762) 11.168 3.309 ( -13.878 0.000 9.242) 16.674 3.309 ( 13.878 0.000 9.242) 16.674 3.344 ( -19.822 0.000 -0.971) 19.846 3.344 ( 19.822 0.000 -0.971) 19.846 3.603 ( -12.904 0.000 13.420) 18.618 3.603 ( 12.904 0.000 13.420) 18.618 3.838 ( -0.519 0.000 1.347) 1.443 3.838 ( 0.519 0.000 1.347) 1.443 3.912 ( -1.826 0.000 0.331) 1.856 3.912 ( 1.826 0.000 0.331) 1.856 4.117 ( -5.743 0.000 9.832) 11.387 4.117 ( 5.743 0.000 9.832) 11.387 4.336 ( -8.785 0.000 2.345) 9.092 4.336 ( 8.785 0.000 2.345) 9.092 4.369 ( -6.739 0.000 3.855) 7.764 4.369 ( 6.739 0.000 3.855) 7.764 4.391 ( -5.264 0.000 -5.395) 7.537 4.391 ( 5.264 0.000 -5.395) 7.537 4.639 ( -3.627 0.000 5.218) 6.355 4.639 ( 3.627 0.000 5.218) 6.355 4.854 ( -3.992 0.000 -5.372) 6.692 4.854 ( 3.992 0.000 -5.372) 6.692 5.001 ( -3.413 0.000 -0.917) 3.534 5.001 ( 3.413 0.000 -0.917) 3.534 5.216 ( -1.191 0.000 2.057) 2.377 5.216 ( 1.191 0.000 2.057) 2.377 5.317 ( -4.245 0.000 -1.598) 4.536 5.317 ( 4.245 0.000 -1.598) 4.536 5.353 ( -1.836 0.000 -1.900) 2.643 5.353 ( 1.836 0.000 -1.900) 2.643 5.529 ( -11.135 0.000 -7.287) 13.307 5.529 ( 11.135 0.000 -7.287) 13.307 5.664 ( -5.560 0.000 -2.674) 6.170 5.664 ( 5.560 0.000 -2.674) 6.170 5.768 ( -4.892 0.000 -6.045) 7.777 5.768 ( 4.892 0.000 -6.045) 7.777 5.873 ( -5.244 0.000 -3.069) 6.076 5.873 ( 5.244 0.000 -3.069) 6.076 5.990 ( -5.684 0.000 0.691) 5.726 5.990 ( 5.684 0.000 0.691) 5.726 6.092 ( -1.700 0.000 -4.319) 4.641 6.092 ( 1.700 0.000 -4.319) 4.641 6.446 ( -1.642 0.000 -9.775) 9.912 6.446 ( 1.642 0.000 -9.775) 9.912 6.950 ( -1.939 0.000 -1.409) 2.397 6.950 ( 1.939 0.000 -1.409) 2.397 7.251 ( -2.483 0.000 2.469) 3.501 7.251 ( 2.483 0.000 2.469) 3.501 7.684 ( -6.922 0.000 -7.230) 10.009 7.684 ( 6.922 0.000 -7.230) 10.009 7.741 ( -3.888 0.000 -5.861) 7.033 7.741 ( 3.888 0.000 -5.861) 7.033 8.268 ( -5.467 0.000 -0.538) 5.493 8.268 ( 5.467 0.000 -0.538) 5.493 8.285 ( -2.664 0.000 0.749) 2.767 8.285 ( 2.664 0.000 0.749) 2.767 8.624 ( -1.721 0.000 4.377) 4.703 8.624 ( 1.721 0.000 4.377) 4.703 8.785 ( -7.966 0.000 9.761) 12.599 8.785 ( 7.966 0.000 9.761) 12.599 9.155 ( -0.564 0.000 2.828) 2.883 9.155 ( 0.564 0.000 2.828) 2.883 9.452 ( -3.771 0.000 -11.014) 11.642 9.452 ( 3.771 0.000 -11.014) 11.642 10.162 ( -4.093 0.000 6.147) 7.385 10.162 ( 4.093 0.000 6.147) 7.385 10.166 ( -1.528 0.000 2.026) 2.537 10.166 ( 1.528 0.000 2.026) 2.537 10.315 ( -6.246 0.000 5.936) 8.617 10.315 ( 6.246 0.000 5.936) 8.617 10.657 ( -5.608 0.000 0.763) 5.659 10.657 ( 5.608 0.000 0.763) 5.659 10.818 ( -2.058 0.000 -0.669) 2.164 10.818 ( 2.058 0.000 -0.669) 2.164 10.965 ( -4.327 0.000 -2.524) 5.010 10.965 ( 4.327 0.000 -2.524) 5.010 11.105 ( -1.927 0.000 4.124) 4.552 11.105 ( 1.927 0.000 4.124) 4.552 11.425 ( -6.224 0.000 -2.459) 6.692 11.425 ( 6.224 0.000 -2.459) 6.692 11.662 ( -3.699 0.000 -2.251) 4.330 11.662 ( 3.699 0.000 -2.251) 4.330 11.692 ( -4.105 0.000 -0.645) 4.155 11.692 ( 4.105 0.000 -0.645) 4.155 13.151 ( -4.157 0.000 1.066) 4.292 13.151 ( 4.157 0.000 1.066) 4.292 13.174 ( -1.330 0.000 0.432) 1.398 13.174 ( 1.330 0.000 0.432) 1.398 13.372 ( -1.286 0.000 1.721) 2.148 13.372 ( 1.286 0.000 1.721) 2.148 13.504 ( -1.532 0.000 -0.673) 1.674 13.504 ( 1.532 0.000 -0.673) 1.674 13.897 ( -2.327 0.000 -0.282) 2.344 13.897 ( 2.327 0.000 -0.282) 2.344 14.005 ( -3.229 0.000 9.607) 10.135 14.005 ( 3.229 0.000 9.607) 10.135 14.350 ( -3.621 0.000 7.202) 8.061 14.350 ( 3.621 0.000 7.202) 8.061 14.574 ( -4.373 0.000 -7.862) 8.996 14.574 ( 4.373 0.000 -7.862) 8.996 14.900 ( -10.068 0.000 -0.106) 10.069 14.900 ( 10.068 0.000 -0.106) 10.069 15.107 ( -3.250 0.000 -5.651) 6.519 15.107 ( 3.250 0.000 -5.651) 6.519 15.473 ( -3.767 0.000 -4.884) 6.168 15.473 ( 3.767 0.000 -4.884) 6.168 15.692 ( -5.006 0.000 -7.996) 9.434 15.692 ( 5.006 0.000 -7.996) 9.434 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 12.927 18.850) 22.856 1.636 ( 0.000 14.063 30.371) 33.469 2.047 ( 0.000 -0.715 -8.395) 8.426 2.429 ( 0.000 -10.380 16.449) 19.450 2.448 ( 0.000 -2.650 4.442) 5.172 2.643 ( 0.000 9.709 32.565) 33.982 2.689 ( 0.000 1.146 1.732) 2.077 2.764 ( 0.000 -11.061 2.472) 11.334 2.863 ( 0.000 7.970 4.050) 8.940 2.875 ( 0.000 -7.222 12.001) 14.006 2.913 ( 0.000 -1.227 10.095) 10.169 3.059 ( 0.000 1.461 15.082) 15.152 3.195 ( 0.000 3.387 2.723) 4.346 3.237 ( 0.000 -7.010 7.429) 10.214 3.347 ( 0.000 -0.490 9.948) 9.960 3.377 ( 0.000 -16.005 -0.996) 16.036 3.629 ( 0.000 -4.604 6.881) 8.279 3.634 ( 0.000 0.601 -1.316) 1.447 3.756 ( 0.000 -2.705 3.788) 4.655 3.832 ( 0.000 0.739 -1.377) 1.562 3.980 ( 0.000 2.679 10.605) 10.938 4.007 ( 0.000 3.407 6.769) 7.579 4.034 ( 0.000 -1.780 -3.119) 3.591 4.131 ( 0.000 -5.000 4.994) 7.067 4.323 ( 0.000 3.030 -1.973) 3.615 4.398 ( 0.000 7.905 -1.483) 8.043 4.546 ( 0.000 0.270 3.685) 3.695 4.611 ( 0.000 5.944 -1.342) 6.093 4.618 ( 0.000 -6.921 0.434) 6.935 4.673 ( 0.000 -1.849 -8.490) 8.689 4.700 ( 0.000 15.043 1.411) 15.109 4.769 ( 0.000 8.768 -0.837) 8.807 4.798 ( 0.000 4.859 4.052) 6.327 4.924 ( 0.000 -2.423 1.642) 2.927 4.927 ( 0.000 -4.410 -2.745) 5.194 5.047 ( 0.000 1.830 -2.724) 3.281 5.081 ( 0.000 -5.656 0.648) 5.693 5.121 ( 0.000 3.287 -3.053) 4.486 5.176 ( 0.000 -2.071 4.314) 4.785 5.259 ( 0.000 5.038 0.023) 5.038 5.344 ( 0.000 -3.672 -1.430) 3.941 5.374 ( 0.000 -0.397 1.933) 1.974 5.402 ( 0.000 7.817 -2.315) 8.152 5.505 ( 0.000 -4.669 1.116) 4.800 5.558 ( 0.000 1.453 -4.844) 5.058 5.655 ( 0.000 3.670 -1.271) 3.883 5.706 ( 0.000 1.005 1.020) 1.431 5.773 ( 0.000 -1.827 -4.477) 4.836 5.776 ( 0.000 -3.273 -3.162) 4.551 5.855 ( 0.000 -2.051 -1.610) 2.607 5.989 ( 0.000 -0.787 -5.342) 5.399 6.038 ( 0.000 -0.261 -0.232) 0.349 6.103 ( 0.000 -1.932 -5.292) 5.634 6.189 ( 0.000 -3.297 -2.837) 4.350 6.409 ( 0.000 0.501 -11.462) 11.473 6.466 ( 0.000 -0.900 -10.988) 11.024 6.913 ( 0.000 0.888 -4.371) 4.461 7.009 ( 0.000 -0.515 1.169) 1.277 7.177 ( 0.000 -1.112 7.966) 8.044 7.227 ( 0.000 -2.483 -3.404) 4.213 7.487 ( 0.000 3.349 -4.400) 5.530 7.685 ( 0.000 3.405 -4.032) 5.277 7.809 ( 0.000 -3.704 -7.801) 8.636 7.904 ( 0.000 0.183 -10.176) 10.178 8.143 ( 0.000 4.125 -2.215) 4.682 8.246 ( 0.000 0.964 0.117) 0.971 8.392 ( 0.000 -2.310 3.264) 3.999 8.449 ( 0.000 -0.193 7.902) 7.905 8.501 ( 0.000 -1.264 5.734) 5.872 8.567 ( 0.000 -1.390 -5.173) 5.356 8.690 ( 0.000 4.528 5.673) 7.259 9.009 ( 0.000 -2.559 5.529) 6.093 9.115 ( 0.000 0.196 1.824) 1.834 9.133 ( 0.000 -0.145 3.240) 3.244 9.532 ( 0.000 -2.770 -12.534) 12.836 9.591 ( 0.000 -0.532 -7.613) 7.632 10.009 ( 0.000 -0.294 3.892) 3.903 10.072 ( 0.000 4.155 7.304) 8.403 10.187 ( 0.000 0.046 6.027) 6.027 10.231 ( 0.000 5.074 -0.150) 5.076 10.290 ( 0.000 3.406 10.122) 10.680 10.459 ( 0.000 -2.970 5.826) 6.539 10.583 ( 0.000 2.570 -0.051) 2.570 10.721 ( 0.000 -2.121 4.231) 4.733 10.798 ( 0.000 -9.711 6.009) 11.420 10.821 ( 0.000 -7.484 2.425) 7.867 10.825 ( 0.000 -2.470 -4.565) 5.190 10.860 ( 0.000 -3.385 2.844) 4.421 11.125 ( 0.000 4.418 2.663) 5.158 11.131 ( 0.000 -1.686 -4.392) 4.704 11.226 ( 0.000 3.417 0.001) 3.417 11.480 ( 0.000 -5.560 1.371) 5.727 11.585 ( 0.000 -1.950 -2.461) 3.140 11.636 ( 0.000 6.117 -6.771) 9.125 11.670 ( 0.000 -6.462 2.206) 6.828 11.858 ( 0.000 2.380 -4.080) 4.723 13.023 ( 0.000 -0.561 0.870) 1.035 13.118 ( 0.000 -1.425 2.331) 2.732 13.223 ( 0.000 1.173 -1.754) 2.110 13.283 ( 0.000 0.864 0.215) 0.890 13.370 ( 0.000 4.001 1.914) 4.435 13.454 ( 0.000 4.829 1.996) 5.225 13.597 ( 0.000 3.377 -0.482) 3.411 13.622 ( 0.000 10.724 -2.860) 11.099 13.824 ( 0.000 -0.815 -0.158) 0.830 13.871 ( 0.000 -0.983 5.336) 5.426 13.994 ( 0.000 -0.710 2.019) 2.140 14.084 ( 0.000 -0.206 6.882) 6.885 14.221 ( 0.000 -4.016 3.341) 5.224 14.426 ( 0.000 -7.432 0.341) 7.440 14.451 ( 0.000 -4.079 3.171) 5.167 14.626 ( 0.000 14.026 -2.603) 14.266 14.734 ( 0.000 -4.874 -2.702) 5.573 14.995 ( 0.000 5.143 -2.924) 5.916 15.082 ( 0.000 -1.383 -4.964) 5.153 15.283 ( 0.000 3.428 -4.608) 5.743 15.339 ( 0.000 -1.997 -4.760) 5.162 15.512 ( 0.000 -5.915 -6.273) 8.621 15.601 ( 0.000 4.892 -7.653) 9.083 15.854 ( 0.000 1.399 -8.725) 8.837 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 24.090 7.482 15.002) 29.350 1.764 ( 10.722 9.571 24.355) 28.280 2.128 ( 5.628 -2.781 -1.325) 6.416 2.330 ( -7.653 -0.708 7.876) 11.004 2.492 ( 0.702 -7.576 11.679) 13.939 2.558 ( -5.788 -0.292 10.338) 11.851 2.614 ( -8.182 -5.710 10.500) 14.485 2.756 ( -6.930 -1.446 11.708) 13.682 2.836 ( 0.442 -2.201 17.259) 17.405 2.908 ( 8.174 3.195 5.131) 10.166 2.975 ( 6.010 -1.735 6.829) 9.261 3.090 ( -3.757 -1.344 -0.023) 3.990 3.135 ( -2.543 0.431 1.097) 2.803 3.198 ( 0.743 3.184 4.632) 5.670 3.320 ( 8.621 -2.418 16.640) 18.896 3.467 ( 4.820 -10.198 3.327) 11.760 3.675 ( -1.495 -2.116 3.752) 4.560 3.698 ( -3.649 -10.322 3.202) 11.407 3.752 ( 0.339 -1.695 4.388) 4.716 3.842 ( 0.602 6.041 7.928) 9.985 3.886 ( -4.799 -6.101 3.902) 8.688 4.026 ( -0.461 -1.830 -2.811) 3.386 4.051 ( 1.655 3.245 2.494) 4.415 4.136 ( -6.792 7.812 7.008) 12.501 4.180 ( -4.568 -0.602 8.413) 9.592 4.314 ( -3.761 3.281 0.604) 5.027 4.418 ( -5.765 2.384 -3.029) 6.936 4.537 ( -0.153 6.650 3.592) 7.560 4.578 ( -2.101 1.036 1.165) 2.616 4.633 ( -2.971 -0.712 2.922) 4.227 4.718 ( -1.810 10.829 -0.000) 10.980 4.737 ( -2.659 6.976 0.052) 7.465 4.802 ( 3.241 2.092 -3.686) 5.336 4.916 ( 1.001 0.102 -5.357) 5.451 5.017 ( -4.682 2.204 0.581) 5.207 5.048 ( -3.109 -3.548 -1.966) 5.110 5.130 ( 2.828 -2.455 -3.066) 4.840 5.167 ( 5.906 -3.544 -0.654) 6.919 5.257 ( 0.479 -2.738 0.991) 2.951 5.266 ( 3.197 1.248 -5.707) 6.660 5.332 ( 8.870 2.772 0.908) 9.338 5.393 ( 1.426 2.287 -0.742) 2.796 5.404 ( -0.460 2.567 -0.898) 2.758 5.560 ( 0.354 0.827 -0.343) 0.963 5.597 ( 2.104 0.059 -3.831) 4.371 5.648 ( -3.979 -3.505 -2.602) 5.907 5.702 ( 6.040 -2.948 -3.098) 7.400 5.748 ( -1.831 -2.419 -4.730) 5.620 5.805 ( 3.083 0.836 -0.979) 3.341 5.925 ( 1.907 1.136 -2.089) 3.048 5.956 ( -3.172 -0.857 -3.674) 4.929 6.038 ( 1.515 -1.331 -2.111) 2.919 6.100 ( -0.638 -1.755 -5.292) 5.612 6.136 ( -4.086 -0.698 -1.793) 4.517 6.413 ( 0.665 -0.005 -10.897) 10.917 6.463 ( -0.496 -0.883 -10.433) 10.482 6.922 ( 0.919 0.688 -3.302) 3.496 6.994 ( -1.350 0.009 0.805) 1.572 7.183 ( 1.387 -1.454 5.612) 5.961 7.252 ( 0.548 -2.455 0.546) 2.574 7.535 ( 4.041 1.181 -5.585) 6.994 7.703 ( 0.810 1.513 -6.083) 6.321 7.769 ( -2.378 -1.153 -6.338) 6.867 7.874 ( -2.538 1.721 -9.394) 9.882 8.182 ( 3.199 2.741 -1.606) 4.508 8.252 ( 0.737 0.660 0.148) 1.000 8.355 ( -2.901 -0.457 1.536) 3.314 8.373 ( -4.198 -1.156 3.428) 5.542 8.564 ( 3.404 -0.431 4.921) 5.999 8.634 ( 5.121 -0.896 2.251) 5.665 8.677 ( -1.151 3.335 5.102) 6.203 8.950 ( -5.969 -1.977 8.486) 10.562 9.127 ( 1.243 -0.083 2.516) 2.807 9.146 ( 0.872 -0.192 3.295) 3.414 9.450 ( -3.208 1.124 -9.596) 10.181 9.539 ( -4.124 -1.524 -10.490) 11.374 10.051 ( 3.488 -0.584 4.206) 5.495 10.164 ( 3.726 0.473 6.215) 7.262 10.175 ( 1.080 1.123 4.768) 5.016 10.220 ( -0.593 3.620 1.547) 3.981 10.274 ( -1.432 3.289 7.920) 8.695 10.413 ( -4.066 -2.450 6.505) 8.053 10.585 ( 1.161 1.482 0.170) 1.890 10.730 ( 0.272 -3.724 3.664) 5.231 10.738 ( -3.954 -4.223 2.618) 6.350 10.777 ( -1.113 -7.110 1.412) 7.334 10.912 ( 4.091 1.061 -1.809) 4.597 10.940 ( 5.075 -4.759 0.136) 6.958 11.118 ( -0.308 3.365 4.157) 5.357 11.156 ( -0.875 3.748 -1.756) 4.231 11.255 ( 4.774 -3.500 -2.156) 6.300 11.522 ( -2.437 -4.245 -1.693) 5.179 11.543 ( 1.659 -2.881 0.467) 3.357 11.647 ( 1.083 4.109 -6.135) 7.463 11.663 ( -0.348 -3.901 1.649) 4.249 11.821 ( -3.174 2.317 -4.194) 5.747 13.058 ( 2.900 -0.565 0.932) 3.098 13.134 ( 1.357 -1.105 1.849) 2.546 13.205 ( -1.610 0.383 -0.848) 1.860 13.243 ( -3.152 0.777 0.493) 3.283 13.384 ( 1.096 4.084 1.551) 4.504 13.442 ( -1.006 4.738 1.818) 5.174 13.585 ( -0.788 4.161 -0.396) 4.253 13.598 ( -1.485 9.146 -1.770) 9.434 13.838 ( 1.344 -1.185 0.502) 1.861 13.904 ( 1.035 -0.867 3.276) 3.543 13.977 ( 0.108 -0.036 3.900) 3.902 14.072 ( -1.178 0.112 7.383) 7.477 14.263 ( 2.871 -2.311 4.828) 6.074 14.370 ( -2.483 -4.834 5.406) 7.666 14.501 ( 2.081 -2.003 -4.002) 4.936 14.667 ( -2.793 -1.169 -4.079) 5.080 14.690 ( 3.560 3.284 -1.950) 5.221 14.950 ( -3.643 -3.693 -2.743) 5.868 15.127 ( 3.017 4.905 -5.210) 7.766 15.260 ( -2.067 5.348 -5.203) 7.743 15.369 ( 2.418 -2.174 -4.365) 5.443 15.491 ( -1.862 -5.144 -5.638) 7.856 15.625 ( 2.493 3.225 -7.683) 8.697 15.813 ( -3.489 1.401 -8.383) 9.187 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -10.640 1.325 12.662) 16.592 2.037 ( 10.640 1.325 12.662) 16.592 2.133 ( -19.515 2.279 14.517) 24.430 2.133 ( 19.515 2.279 14.517) 24.430 2.367 ( -7.389 -0.993 10.313) 12.725 2.367 ( 7.389 -0.993 10.313) 12.725 2.630 ( -4.458 -10.698 3.330) 12.059 2.630 ( 4.458 -10.698 3.330) 12.059 2.900 ( -4.145 0.535 5.227) 6.693 2.900 ( 4.145 0.535 5.227) 6.693 3.059 ( -2.186 -5.394 2.893) 6.500 3.059 ( 2.186 -5.394 2.893) 6.500 3.349 ( -16.731 3.676 5.653) 18.039 3.349 ( 16.731 3.676 5.653) 18.039 3.402 ( -9.610 2.180 1.907) 10.037 3.402 ( 9.610 2.180 1.907) 10.037 3.566 ( -9.006 -0.086 15.868) 18.246 3.566 ( 9.006 -0.086 15.868) 18.246 3.780 ( -3.025 -2.752 7.023) 8.127 3.780 ( 3.025 -2.752 7.023) 8.127 3.860 ( -3.111 -3.568 8.272) 9.531 3.860 ( 3.111 -3.568 8.272) 9.531 4.105 ( -2.009 -3.669 1.018) 4.305 4.105 ( 2.009 -3.669 1.018) 4.305 4.239 ( -3.596 3.595 2.157) 5.523 4.239 ( 3.596 3.595 2.157) 5.523 4.431 ( -6.392 4.320 0.518) 7.733 4.431 ( 6.392 4.320 0.518) 7.733 4.590 ( -1.771 0.547 2.681) 3.259 4.590 ( 1.771 0.547 2.681) 3.259 4.686 ( -1.171 12.000 -0.277) 12.061 4.686 ( 1.171 12.000 -0.277) 12.061 4.893 ( -3.981 4.029 -3.165) 6.489 4.893 ( 3.981 4.029 -3.165) 6.489 4.979 ( -2.824 -2.138 -3.441) 4.938 4.979 ( 2.824 -2.138 -3.441) 4.938 5.165 ( -2.922 -3.035 1.422) 4.447 5.165 ( 2.922 -3.035 1.422) 4.447 5.308 ( -3.467 0.251 -1.379) 3.740 5.308 ( 3.467 0.251 -1.379) 3.740 5.418 ( -3.380 1.569 -4.379) 5.750 5.418 ( 3.380 1.569 -4.379) 5.750 5.497 ( -5.268 -2.287 -4.205) 7.118 5.497 ( 5.268 -2.287 -4.205) 7.118 5.635 ( -1.315 -2.280 -1.925) 3.261 5.635 ( 1.315 -2.280 -1.925) 3.261 5.768 ( -6.846 0.199 -5.063) 8.517 5.768 ( 6.846 0.199 -5.063) 8.517 5.835 ( -2.538 -2.402 -2.084) 4.069 5.835 ( 2.538 -2.402 -2.084) 4.069 6.018 ( -4.717 1.200 -2.138) 5.317 6.018 ( 4.717 1.200 -2.138) 5.317 6.084 ( -1.783 -0.478 -3.074) 3.585 6.084 ( 1.783 -0.478 -3.074) 3.585 6.440 ( -1.447 -0.609 -10.063) 10.185 6.440 ( 1.447 -0.609 -10.063) 10.185 6.955 ( -1.867 0.514 -0.898) 2.134 6.955 ( 1.867 0.514 -0.898) 2.134 7.230 ( -2.166 -2.087 3.640) 4.722 7.230 ( 2.166 -2.087 3.640) 4.722 7.641 ( -4.791 -2.269 -6.634) 8.492 7.641 ( 4.791 -2.269 -6.634) 8.492 7.800 ( -3.605 3.903 -7.272) 9.006 7.800 ( 3.605 3.903 -7.272) 9.006 8.267 ( -3.220 -0.005 0.312) 3.235 8.267 ( 3.220 -0.005 0.312) 3.235 8.295 ( -1.642 0.771 0.264) 1.833 8.295 ( 1.642 0.771 0.264) 1.833 8.635 ( -2.659 1.113 4.391) 5.253 8.635 ( 2.659 1.113 4.391) 5.253 8.780 ( -7.722 -0.625 8.544) 11.534 8.780 ( 7.722 -0.625 8.544) 11.534 9.153 ( -0.555 -0.142 3.257) 3.307 9.153 ( 0.555 -0.142 3.257) 3.307 9.452 ( -2.769 0.076 -10.946) 11.291 9.452 ( 2.769 0.076 -10.946) 11.291 10.129 ( -2.922 -0.999 5.664) 6.451 10.129 ( 2.922 -0.999 5.664) 6.451 10.229 ( -1.869 3.627 3.107) 5.128 10.229 ( 1.869 3.627 3.107) 5.128 10.301 ( -5.375 -0.897 6.200) 8.255 10.301 ( 5.375 -0.897 6.200) 8.255 10.641 ( -3.647 -2.135 1.783) 4.586 10.641 ( 3.647 -2.135 1.783) 4.586 10.753 ( -1.094 -4.807 2.432) 5.497 10.753 ( 1.094 -4.807 2.432) 5.497 10.990 ( -1.561 1.603 -2.372) 3.261 10.990 ( 1.561 1.603 -2.372) 3.261 11.120 ( -1.200 1.665 1.908) 2.802 11.120 ( 1.200 1.665 1.908) 2.802 11.396 ( -6.600 -3.391 -1.692) 7.611 11.396 ( 6.600 -3.391 -1.692) 7.611 11.614 ( -2.706 -2.846 -0.127) 3.929 11.614 ( 2.706 -2.846 -0.127) 3.929 11.730 ( -4.442 2.194 -4.118) 6.442 11.730 ( 4.442 2.194 -4.118) 6.442 13.140 ( -3.875 -0.769 0.949) 4.063 13.140 ( 3.875 -0.769 0.949) 4.063 13.176 ( -2.141 0.248 0.542) 2.222 13.176 ( 2.141 0.248 0.542) 2.222 13.413 ( -1.395 4.410 1.512) 4.866 13.413 ( 1.395 4.410 1.512) 4.866 13.577 ( -0.257 6.354 -0.673) 6.395 13.577 ( 0.257 6.354 -0.673) 6.395 13.878 ( -2.039 -1.368 0.969) 2.639 13.878 ( 2.039 -1.368 0.969) 2.639 14.027 ( -2.782 0.914 7.170) 7.745 14.027 ( 2.782 0.914 7.170) 7.745 14.321 ( -2.152 -2.311 6.526) 7.250 14.321 ( 2.152 -2.311 6.526) 7.250 14.566 ( -4.084 -1.945 -6.398) 7.836 14.566 ( 4.084 -1.945 -6.398) 7.836 14.833 ( -6.599 -3.435 -1.961) 7.693 14.833 ( 6.599 -3.435 -1.961) 7.693 15.198 ( -3.165 6.588 -5.820) 9.344 15.198 ( 3.165 6.588 -5.820) 9.344 15.433 ( -3.025 -3.488 -4.525) 6.465 15.433 ( 3.025 -3.488 -4.525) 6.465 15.713 ( -4.829 1.676 -7.805) 9.330 15.713 ( 4.829 1.676 -7.805) 9.330 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 15.415 11.160) 19.031 1.922 ( 0.000 9.787 17.795) 20.308 2.042 ( 0.000 1.060 -10.280) 10.335 2.168 ( 0.000 -9.084 7.738) 11.933 2.416 ( 0.000 -0.210 6.766) 6.769 2.450 ( 0.000 -13.360 -3.402) 13.786 2.660 ( 0.000 -11.759 5.734) 13.083 2.715 ( 0.000 1.746 -0.204) 1.758 2.907 ( 0.000 0.908 0.831) 1.231 2.969 ( 0.000 9.077 18.479) 20.589 3.015 ( 0.000 -13.707 17.381) 22.135 3.055 ( 0.000 6.823 10.183) 12.258 3.117 ( 0.000 0.196 11.730) 11.732 3.218 ( 0.000 3.957 6.232) 7.382 3.327 ( 0.000 12.415 21.244) 24.606 3.362 ( 0.000 -8.429 7.721) 11.431 3.423 ( 0.000 -0.639 12.849) 12.865 3.625 ( 0.000 -8.036 0.518) 8.053 3.629 ( 0.000 -2.272 0.044) 2.272 3.862 ( 0.000 2.906 1.590) 3.313 3.869 ( 0.000 -11.415 10.707) 15.651 4.085 ( 0.000 7.129 -2.642) 7.603 4.165 ( 0.000 1.832 4.031) 4.428 4.165 ( 0.000 11.259 8.885) 14.343 4.387 ( 0.000 3.501 -0.545) 3.543 4.435 ( 0.000 -7.455 -5.419) 9.216 4.474 ( 0.000 -6.197 4.204) 7.489 4.543 ( 0.000 2.718 2.497) 3.691 4.675 ( 0.000 -11.813 4.011) 12.476 4.688 ( 0.000 0.169 -5.378) 5.381 4.699 ( 0.000 3.286 -7.165) 7.883 4.854 ( 0.000 0.773 -3.504) 3.588 4.865 ( 0.000 -7.497 -4.427) 8.706 4.982 ( 0.000 -4.552 -0.882) 4.636 5.001 ( 0.000 13.041 -0.505) 13.051 5.022 ( 0.000 -0.815 -1.575) 1.773 5.048 ( 0.000 14.484 0.294) 14.487 5.163 ( 0.000 0.281 -1.651) 1.675 5.228 ( 0.000 7.596 0.717) 7.629 5.303 ( 0.000 -0.804 -1.352) 1.573 5.308 ( 0.000 3.101 -1.994) 3.687 5.418 ( 0.000 3.680 -0.710) 3.748 5.462 ( 0.000 -0.426 -0.000) 0.426 5.532 ( 0.000 -5.342 -2.686) 5.979 5.565 ( 0.000 8.264 -1.847) 8.467 5.639 ( 0.000 -6.765 -1.654) 6.964 5.695 ( 0.000 -5.687 -0.301) 5.695 5.736 ( 0.000 -2.215 -0.336) 2.241 5.743 ( 0.000 4.539 -0.760) 4.602 5.841 ( 0.000 1.367 -2.308) 2.683 5.994 ( 0.000 1.677 -4.292) 4.608 6.014 ( 0.000 -2.394 -0.368) 2.422 6.052 ( 0.000 -3.410 -4.041) 5.288 6.117 ( 0.000 -4.081 -2.572) 4.824 6.417 ( 0.000 0.415 -12.016) 12.023 6.446 ( 0.000 -1.168 -11.938) 11.995 6.938 ( 0.000 1.764 -2.101) 2.743 6.997 ( 0.000 -0.888 0.740) 1.156 7.154 ( 0.000 -0.983 7.860) 7.922 7.180 ( 0.000 -2.284 1.399) 2.679 7.568 ( 0.000 4.885 -4.731) 6.801 7.737 ( 0.000 -4.060 -6.220) 7.428 7.759 ( 0.000 4.194 -7.118) 8.262 7.886 ( 0.000 -2.056 -10.114) 10.321 8.239 ( 0.000 5.207 -1.639) 5.459 8.266 ( 0.000 1.077 0.438) 1.163 8.357 ( 0.000 -0.695 2.867) 2.950 8.448 ( 0.000 0.165 6.230) 6.232 8.475 ( 0.000 -1.473 7.472) 7.616 8.513 ( 0.000 -4.425 -5.625) 7.156 8.785 ( 0.000 5.357 6.436) 8.374 8.956 ( 0.000 -3.341 7.836) 8.519 9.109 ( 0.000 -0.316 2.335) 2.356 9.127 ( 0.000 -0.512 3.499) 3.537 9.509 ( 0.000 0.550 -11.465) 11.478 9.573 ( 0.000 -1.481 -9.305) 9.423 10.026 ( 0.000 2.141 5.836) 6.217 10.150 ( 0.000 -1.967 10.294) 10.481 10.191 ( 0.000 6.215 5.123) 8.055 10.318 ( 0.000 3.777 3.306) 5.019 10.370 ( 0.000 4.164 6.960) 8.110 10.430 ( 0.000 -0.774 5.552) 5.606 10.575 ( 0.000 -2.057 7.249) 7.535 10.624 ( 0.000 -9.084 4.313) 10.056 10.667 ( 0.000 -5.032 4.614) 6.827 10.682 ( 0.000 -3.457 4.438) 5.625 10.838 ( 0.000 2.349 -1.851) 2.991 10.859 ( 0.000 4.784 -2.721) 5.504 11.044 ( 0.000 -5.731 -5.706) 8.087 11.175 ( 0.000 -2.746 -2.945) 4.027 11.330 ( 0.000 6.228 2.881) 6.862 11.378 ( 0.000 -1.629 2.436) 2.931 11.529 ( 0.000 -3.975 -1.458) 4.234 11.558 ( 0.000 -5.780 3.632) 6.827 11.753 ( 0.000 5.839 -8.393) 10.225 11.876 ( 0.000 -0.492 -6.560) 6.578 13.031 ( 0.000 1.094 1.226) 1.643 13.088 ( 0.000 -1.686 2.105) 2.697 13.249 ( 0.000 1.520 -1.514) 2.146 13.290 ( 0.000 -0.222 -0.597) 0.637 13.480 ( 0.000 7.407 2.728) 7.893 13.582 ( 0.000 8.165 1.819) 8.365 13.665 ( 0.000 3.124 0.745) 3.212 13.770 ( 0.000 4.639 0.350) 4.652 13.808 ( 0.000 -0.691 -0.509) 0.858 13.868 ( 0.000 -0.131 4.111) 4.113 13.910 ( 0.000 -5.309 1.928) 5.648 14.092 ( 0.000 -9.654 0.913) 9.697 14.135 ( 0.000 4.230 4.158) 5.932 14.294 ( 0.000 -5.557 0.974) 5.641 14.393 ( 0.000 -1.225 3.324) 3.542 14.586 ( 0.000 -9.396 1.464) 9.509 14.904 ( 0.000 13.463 -10.411) 17.019 15.085 ( 0.000 3.529 -4.606) 5.803 15.118 ( 0.000 4.199 -4.985) 6.517 15.294 ( 0.000 -2.313 -4.613) 5.161 15.304 ( 0.000 -0.619 -5.030) 5.068 15.379 ( 0.000 -7.987 -7.108) 10.692 15.713 ( 0.000 6.338 -7.693) 9.967 15.861 ( 0.000 -0.929 -8.420) 8.472 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 15.769 8.988 8.316) 19.965 1.973 ( 4.763 9.730 11.109) 15.516 2.059 ( 2.247 -5.893 -1.183) 6.417 2.303 ( 8.634 -3.405 5.981) 11.041 2.350 ( -5.517 0.728 7.205) 9.104 2.410 ( -2.005 -10.018 -0.460) 10.227 2.530 ( -8.069 -3.475 5.143) 10.180 2.766 ( -0.897 -3.625 4.946) 6.197 2.865 ( -0.182 -0.204 4.004) 4.013 2.905 ( -7.123 10.136 19.580) 23.170 2.956 ( -4.643 -8.569 4.866) 10.893 3.122 ( -4.879 -6.099 11.493) 13.895 3.144 ( 6.812 0.676 4.454) 8.167 3.203 ( 2.088 3.992 3.967) 6.003 3.239 ( -0.185 2.267 8.836) 9.124 3.400 ( 2.757 -9.964 14.452) 17.769 3.503 ( 7.433 -1.535 14.124) 16.034 3.583 ( -5.868 -11.350 7.225) 14.678 3.687 ( -0.984 2.406 7.149) 7.607 3.763 ( 5.677 0.066 7.229) 9.192 4.017 ( -4.946 5.612 9.161) 11.827 4.076 ( 3.443 5.310 1.296) 6.460 4.106 ( 2.409 5.410 -1.769) 6.181 4.231 ( -2.023 0.528 7.125) 7.426 4.286 ( -4.291 7.190 3.411) 9.041 4.389 ( -4.691 3.684 4.612) 7.540 4.440 ( -5.678 -0.464 -3.595) 6.736 4.499 ( -0.840 -2.337 -2.127) 3.270 4.592 ( -1.626 1.090 2.995) 3.578 4.646 ( -3.594 0.342 1.491) 3.906 4.789 ( 2.804 -1.783 -3.570) 4.877 4.836 ( 1.106 -9.248 -1.205) 9.392 4.869 ( -0.108 -2.681 -2.691) 3.800 4.935 ( -0.809 -0.382 -0.882) 1.256 4.965 ( -1.684 8.099 -3.306) 8.908 5.041 ( 1.686 2.831 -2.204) 3.964 5.124 ( 3.312 2.408 -2.110) 4.606 5.191 ( -2.596 4.426 -3.413) 6.162 5.247 ( 1.961 3.856 -3.491) 5.559 5.288 ( 0.687 1.496 -4.578) 4.865 5.364 ( 7.932 1.287 -2.040) 8.290 5.439 ( -0.527 2.248 -0.759) 2.431 5.451 ( -3.594 -6.623 -2.408) 7.910 5.514 ( -5.378 -0.232 -0.682) 5.426 5.542 ( -0.743 -1.284 -3.077) 3.416 5.644 ( 7.139 -1.992 -0.167) 7.413 5.674 ( -0.485 1.442 -2.192) 2.669 5.740 ( 1.015 0.434 -0.525) 1.222 5.808 ( 1.655 0.941 -1.020) 2.160 5.911 ( 2.901 -2.442 -2.612) 4.605 5.946 ( -3.639 -0.308 -3.804) 5.274 6.012 ( 1.529 -1.212 -1.350) 2.373 6.057 ( -0.051 -2.615 -4.752) 5.425 6.124 ( -0.179 -0.361 -1.509) 1.562 6.413 ( 0.076 0.056 -11.382) 11.383 6.444 ( -0.351 -0.996 -11.339) 11.389 6.942 ( 0.619 1.445 -1.375) 2.089 6.993 ( -0.559 -0.335 0.631) 0.907 7.152 ( 0.796 -1.495 6.370) 6.591 7.203 ( 0.467 -2.374 3.944) 4.627 7.574 ( 0.927 2.728 -5.759) 6.440 7.680 ( -3.069 -2.608 -7.150) 8.206 7.806 ( 2.457 3.343 -6.693) 7.874 7.887 ( -0.286 -0.389 -9.415) 9.428 8.240 ( 0.364 2.439 0.154) 2.471 8.270 ( 0.634 1.739 -0.847) 2.035 8.340 ( -1.338 -1.049 1.221) 2.093 8.356 ( -4.219 -0.483 2.992) 5.195 8.554 ( 4.722 -0.521 4.729) 6.703 8.605 ( 6.037 -1.946 2.479) 6.810 8.753 ( -2.748 4.478 5.175) 7.374 8.903 ( -4.870 -3.057 7.717) 9.623 9.125 ( 1.358 0.073 3.053) 3.342 9.141 ( 0.976 -0.373 3.851) 3.990 9.475 ( -2.096 1.318 -10.966) 11.242 9.517 ( -3.792 -0.725 -9.718) 10.457 10.054 ( 2.621 0.941 6.117) 6.721 10.149 ( -0.570 -2.016 8.831) 9.076 10.229 ( 2.808 4.795 5.039) 7.501 10.287 ( -1.793 2.855 2.211) 4.032 10.333 ( -2.154 2.731 7.171) 7.970 10.382 ( -3.710 -1.351 5.562) 6.821 10.559 ( -0.732 -4.625 4.572) 6.544 10.606 ( -2.640 -6.857 4.755) 8.752 10.664 ( 2.430 -2.132 6.089) 6.894 10.733 ( 0.565 0.915 3.793) 3.942 10.914 ( 5.921 2.016 -0.612) 6.284 10.936 ( 5.858 2.271 -4.011) 7.454 11.123 ( 5.777 -5.562 -3.109) 8.601 11.167 ( -0.872 -2.453 -2.838) 3.852 11.246 ( -3.980 3.515 2.995) 6.097 11.441 ( -1.987 -2.685 0.151) 3.344 11.490 ( 2.211 -2.247 0.624) 3.213 11.589 ( 1.192 -3.757 1.481) 4.211 11.740 ( -0.700 4.709 -7.880) 9.206 11.840 ( -3.036 -0.269 -6.572) 7.245 13.060 ( 2.444 0.566 1.115) 2.745 13.112 ( 2.108 -1.067 1.771) 2.953 13.210 ( -2.929 0.196 -0.544) 2.986 13.260 ( -2.757 0.814 -0.277) 2.888 13.491 ( 1.126 6.925 2.034) 7.305 13.569 ( -1.292 8.528 1.329) 8.727 13.664 ( 0.290 3.301 0.905) 3.435 13.733 ( -2.361 4.653 0.159) 5.220 13.817 ( 1.138 -1.148 0.903) 1.851 13.889 ( -1.561 -3.994 1.896) 4.688 13.931 ( 3.804 -0.775 2.760) 4.763 14.051 ( -1.849 -4.267 1.921) 5.031 14.211 ( 4.294 -0.983 4.043) 5.979 14.305 ( 1.107 -2.343 5.770) 6.325 14.427 ( 2.249 -3.189 0.481) 3.932 14.562 ( -2.238 -7.711 1.232) 8.123 14.844 ( -3.513 8.788 -10.013) 13.778 14.938 ( -6.887 1.582 -6.584) 9.659 15.223 ( 3.640 4.473 -5.473) 7.950 15.295 ( 0.320 -1.315 -5.136) 5.311 15.345 ( 2.392 -0.807 -4.433) 5.101 15.389 ( 0.704 -4.472 -5.279) 6.954 15.702 ( -0.269 4.525 -7.746) 8.974 15.824 ( -3.193 -0.539 -8.007) 8.636 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -7.288 -2.390 2.417) 8.042 2.026 ( 7.288 -2.390 2.417) 8.042 2.163 ( -10.493 3.212 7.416) 13.245 2.163 ( 10.493 3.212 7.416) 13.245 2.372 ( -1.681 -6.105 6.491) 9.068 2.372 ( 1.681 -6.105 6.491) 9.068 2.577 ( -12.465 9.723 9.651) 18.522 2.577 ( 12.465 9.723 9.651) 18.522 2.830 ( -4.400 -5.359 3.340) 7.696 2.830 ( 4.400 -5.359 3.340) 7.696 2.966 ( -5.029 -3.710 8.372) 10.447 2.966 ( 5.029 -3.710 8.372) 10.447 3.257 ( -1.251 -7.560 5.329) 9.333 3.257 ( 1.251 -7.560 5.329) 9.333 3.413 ( -7.866 -5.130 7.384) 11.947 3.413 ( 7.866 -5.130 7.384) 11.947 3.468 ( -7.190 -8.732 5.434) 12.549 3.468 ( 7.190 -8.732 5.434) 12.549 3.837 ( -9.783 3.019 16.250) 19.207 3.837 ( 9.783 3.019 16.250) 19.207 3.957 ( -11.472 16.048 14.106) 24.251 3.957 ( 11.472 16.048 14.106) 24.251 4.147 ( -3.147 6.990 -3.579) 8.460 4.147 ( 3.147 6.990 -3.579) 8.460 4.311 ( -2.840 2.187 5.664) 6.703 4.311 ( 2.840 2.187 5.664) 6.703 4.449 ( -7.287 -1.519 -0.711) 7.477 4.449 ( 7.287 -1.519 -0.711) 7.477 4.543 ( -2.053 -1.918 -0.050) 2.810 4.543 ( 2.053 -1.918 -0.050) 2.810 4.862 ( -0.789 -8.261 -0.225) 8.302 4.862 ( 0.789 -8.261 -0.225) 8.302 4.895 ( -4.089 5.796 -2.697) 7.588 4.895 ( 4.089 5.796 -2.697) 7.588 5.026 ( -6.564 7.349 -1.195) 9.925 5.026 ( 6.564 7.349 -1.195) 9.925 5.149 ( -2.611 1.105 -3.308) 4.357 5.149 ( 2.611 1.105 -3.308) 4.357 5.293 ( -2.870 -4.020 -4.934) 6.982 5.293 ( 2.870 -4.020 -4.934) 6.982 5.364 ( -2.395 -2.203 -6.033) 6.854 5.364 ( 2.395 -2.203 -6.033) 6.854 5.486 ( -2.836 1.093 -2.785) 4.122 5.486 ( 2.836 1.093 -2.785) 4.122 5.621 ( -6.092 -0.565 -0.704) 6.159 5.621 ( 6.092 -0.565 -0.704) 6.159 5.765 ( -1.175 -1.863 1.123) 2.472 5.765 ( 1.175 -1.863 1.123) 2.472 5.819 ( -3.039 2.040 -3.805) 5.280 5.819 ( 3.039 2.040 -3.805) 5.280 6.001 ( -3.048 -2.618 -5.939) 7.171 6.001 ( 3.048 -2.618 -5.939) 7.171 6.091 ( -2.537 0.918 -0.462) 2.737 6.091 ( 2.537 0.918 -0.462) 2.737 6.428 ( -0.989 -0.580 -10.697) 10.759 6.428 ( 0.989 -0.580 -10.697) 10.759 6.968 ( -1.447 0.834 -0.016) 1.670 6.968 ( 1.447 0.834 -0.016) 1.670 7.185 ( -1.694 -2.339 5.598) 6.299 7.185 ( 1.694 -2.339 5.598) 6.299 7.615 ( -2.529 -0.718 -6.926) 7.408 7.615 ( 2.529 -0.718 -6.926) 7.408 7.860 ( -2.047 2.346 -7.994) 8.579 7.860 ( 2.047 2.346 -7.994) 8.579 8.267 ( -2.002 -0.040 1.263) 2.367 8.267 ( 2.002 -0.040 1.263) 2.367 8.308 ( -1.214 0.612 -0.162) 1.369 8.308 ( 1.214 0.612 -0.162) 1.369 8.666 ( -4.626 2.133 5.272) 7.332 8.666 ( 4.626 2.133 5.272) 7.332 8.758 ( -7.106 -1.674 5.330) 9.039 8.758 ( 7.106 -1.674 5.330) 9.039 9.151 ( -0.448 -0.031 4.096) 4.121 9.151 ( 0.448 -0.031 4.096) 4.121 9.456 ( -0.974 0.327 -10.873) 10.921 9.456 ( 0.974 0.327 -10.873) 10.921 10.118 ( -2.341 -0.396 7.468) 7.837 10.118 ( 2.341 -0.396 7.468) 7.837 10.279 ( -0.617 1.580 3.965) 4.312 10.279 ( 0.617 1.580 3.965) 4.312 10.303 ( -2.241 1.129 5.219) 5.791 10.303 ( 2.241 1.129 5.219) 5.791 10.563 ( -1.111 -5.855 4.935) 7.737 10.563 ( 1.111 -5.855 4.935) 7.737 10.712 ( -1.812 1.266 4.397) 4.922 10.712 ( 1.812 1.266 4.397) 4.922 11.024 ( -1.584 1.385 -3.003) 3.667 11.024 ( 1.584 1.385 -3.003) 3.667 11.139 ( -1.736 0.207 0.908) 1.970 11.139 ( 1.736 0.207 0.908) 1.970 11.315 ( -7.168 -4.256 -0.777) 8.373 11.315 ( 7.168 -4.256 -0.777) 8.373 11.575 ( -2.904 -1.306 -0.024) 3.184 11.575 ( 2.904 -1.306 -0.024) 3.184 11.762 ( -3.019 1.181 -6.713) 7.455 11.762 ( 3.019 1.181 -6.713) 7.455 13.129 ( -3.289 -0.401 0.821) 3.413 13.129 ( 3.289 -0.401 0.821) 3.413 13.184 ( -3.331 0.471 0.567) 3.412 13.184 ( 3.331 0.471 0.567) 3.412 13.529 ( -2.016 7.484 1.241) 7.850 13.529 ( 2.016 7.484 1.241) 7.850 13.686 ( -1.622 4.410 0.549) 4.731 13.686 ( 1.622 4.410 0.549) 4.731 13.851 ( -1.722 -2.275 1.441) 3.196 13.851 ( 1.722 -2.275 1.441) 3.196 14.005 ( -2.587 -2.516 2.237) 4.246 14.005 ( 2.587 -2.516 2.237) 4.246 14.297 ( -2.729 -0.175 7.772) 8.239 14.297 ( 2.729 -0.175 7.772) 8.239 14.490 ( -3.613 -4.921 -0.883) 6.168 14.490 ( 3.613 -4.921 -0.883) 6.168 14.826 ( -2.468 1.710 -8.664) 9.170 14.826 ( 2.468 1.710 -8.664) 9.170 15.281 ( -1.727 0.976 -6.344) 6.646 15.281 ( 1.727 0.976 -6.344) 6.646 15.388 ( -1.322 0.020 -3.639) 3.871 15.388 ( 1.322 0.020 -3.639) 3.871 15.738 ( -3.551 0.893 -7.581) 8.419 15.738 ( 3.551 0.893 -7.581) 8.419 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 -13.924 5.458) 14.956 1.775 ( 0.000 13.924 5.458) 14.956 2.122 ( 0.000 -6.974 -5.138) 8.662 2.122 ( 0.000 6.974 -5.138) 8.662 2.435 ( 0.000 -2.073 7.811) 8.081 2.435 ( 0.000 2.073 7.811) 8.081 2.555 ( 0.000 -9.803 6.519) 11.773 2.555 ( 0.000 9.803 6.519) 11.773 2.957 ( 0.000 -10.775 7.489) 13.122 2.957 ( 0.000 10.775 7.489) 13.122 3.015 ( 0.000 -4.499 2.210) 5.012 3.015 ( 0.000 4.499 2.210) 5.012 3.173 ( 0.000 -5.340 20.292) 20.983 3.173 ( 0.000 5.340 20.292) 20.983 3.376 ( 0.000 -9.245 1.693) 9.399 3.376 ( 0.000 9.245 1.693) 9.399 3.537 ( 0.000 -5.890 13.582) 14.804 3.537 ( 0.000 5.890 13.582) 14.804 3.672 ( 0.000 -9.151 10.548) 13.964 3.672 ( 0.000 9.151 10.548) 13.964 4.047 ( 0.000 -14.689 7.888) 16.673 4.047 ( 0.000 14.689 7.888) 16.673 4.256 ( 0.000 -10.525 -2.786) 10.888 4.256 ( 0.000 10.525 -2.786) 10.888 4.314 ( 0.000 -5.998 4.442) 7.463 4.314 ( 0.000 5.998 4.442) 7.463 4.477 ( 0.000 -5.970 1.550) 6.168 4.477 ( 0.000 5.970 1.550) 6.168 4.674 ( 0.000 -10.311 -0.732) 10.336 4.674 ( 0.000 10.311 -0.732) 10.336 4.735 ( 0.000 -0.039 -7.051) 7.052 4.735 ( 0.000 0.039 -7.051) 7.052 4.887 ( 0.000 -3.559 -1.546) 3.880 4.887 ( 0.000 3.559 -1.546) 3.880 5.057 ( 0.000 -1.386 -4.893) 5.086 5.057 ( 0.000 1.386 -4.893) 5.086 5.253 ( 0.000 -6.135 -3.338) 6.984 5.253 ( 0.000 6.135 -3.338) 6.984 5.294 ( 0.000 -6.784 -1.739) 7.004 5.294 ( 0.000 6.784 -1.739) 7.004 5.384 ( 0.000 -6.123 -1.153) 6.230 5.384 ( 0.000 6.123 -1.153) 6.230 5.478 ( 0.000 -1.084 -1.230) 1.640 5.478 ( 0.000 1.084 -1.230) 1.640 5.566 ( 0.000 -3.143 2.829) 4.229 5.566 ( 0.000 3.143 2.829) 4.229 5.677 ( 0.000 -3.842 -1.265) 4.045 5.677 ( 0.000 3.842 -1.265) 4.045 5.840 ( 0.000 -3.776 -2.708) 4.647 5.840 ( 0.000 3.776 -2.708) 4.647 5.990 ( 0.000 -1.557 -1.326) 2.045 5.990 ( 0.000 1.557 -1.326) 2.045 6.047 ( 0.000 -2.827 -2.833) 4.003 6.047 ( 0.000 2.827 -2.833) 4.003 6.427 ( 0.000 -0.692 -12.352) 12.371 6.427 ( 0.000 0.692 -12.352) 12.371 6.972 ( 0.000 -1.723 -0.065) 1.724 6.972 ( 0.000 1.723 -0.065) 1.724 7.151 ( 0.000 -0.508 5.335) 5.359 7.151 ( 0.000 0.508 5.335) 5.359 7.657 ( 0.000 -4.562 -5.134) 6.868 7.657 ( 0.000 4.562 -5.134) 6.868 7.833 ( 0.000 -3.512 -9.248) 9.892 7.833 ( 0.000 3.512 -9.248) 9.892 8.282 ( 0.000 -0.132 0.727) 0.739 8.282 ( 0.000 0.132 0.727) 0.739 8.408 ( 0.000 -5.006 0.325) 5.016 8.408 ( 0.000 5.006 0.325) 5.016 8.457 ( 0.000 -0.318 4.019) 4.032 8.457 ( 0.000 0.318 4.019) 4.032 8.880 ( 0.000 -4.731 7.365) 8.753 8.880 ( 0.000 4.731 7.365) 8.753 9.114 ( 0.000 -0.707 3.114) 3.193 9.114 ( 0.000 0.707 3.114) 3.193 9.538 ( 0.000 -2.048 -10.726) 10.920 9.538 ( 0.000 2.048 -10.726) 10.920 10.083 ( 0.000 -3.638 9.009) 9.715 10.083 ( 0.000 3.638 9.009) 9.715 10.333 ( 0.000 -6.252 4.102) 7.477 10.333 ( 0.000 6.252 4.102) 7.477 10.393 ( 0.000 -1.958 4.811) 5.195 10.393 ( 0.000 1.958 4.811) 5.195 10.569 ( 0.000 -3.783 6.997) 7.954 10.569 ( 0.000 3.783 6.997) 7.954 10.603 ( 0.000 -4.140 6.154) 7.417 10.603 ( 0.000 4.140 6.154) 7.417 10.921 ( 0.000 -4.867 -3.706) 6.118 10.921 ( 0.000 4.867 -3.706) 6.118 11.024 ( 0.000 -9.353 -4.289) 10.290 11.024 ( 0.000 9.353 -4.289) 10.290 11.430 ( 0.000 -0.638 2.330) 2.416 11.430 ( 0.000 0.638 2.330) 2.416 11.456 ( 0.000 -1.674 1.620) 2.330 11.456 ( 0.000 1.674 1.620) 2.330 11.840 ( 0.000 -3.373 -8.149) 8.820 11.840 ( 0.000 3.373 -8.149) 8.820 13.057 ( 0.000 -1.556 1.684) 2.293 13.057 ( 0.000 1.556 1.684) 2.293 13.276 ( 0.000 -1.015 -1.192) 1.566 13.276 ( 0.000 1.015 -1.192) 1.566 13.616 ( 0.000 -5.468 4.115) 6.844 13.616 ( 0.000 5.468 4.115) 6.844 13.765 ( 0.000 -5.721 1.005) 5.809 13.765 ( 0.000 5.721 1.005) 5.809 13.810 ( 0.000 -1.272 -0.553) 1.387 13.810 ( 0.000 1.272 -0.553) 1.387 13.932 ( 0.000 -5.088 1.317) 5.256 13.932 ( 0.000 5.088 1.317) 5.256 14.211 ( 0.000 -3.791 3.092) 4.891 14.211 ( 0.000 3.791 3.092) 4.891 14.434 ( 0.000 -5.846 2.474) 6.348 14.434 ( 0.000 5.846 2.474) 6.348 15.082 ( 0.000 -4.436 -8.127) 9.259 15.082 ( 0.000 4.436 -8.127) 9.259 15.227 ( 0.000 -7.428 -6.648) 9.969 15.227 ( 0.000 7.428 -6.648) 9.969 15.282 ( 0.000 -0.596 -4.444) 4.484 15.282 ( 0.000 0.596 -4.444) 4.484 15.814 ( 0.000 -4.124 -8.106) 9.095 15.814 ( 0.000 4.124 -8.106) 9.095 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 7.843 0.000 1.190) 7.933 1.898 ( 7.666 -0.000 5.848) 9.641 2.124 ( 2.505 0.000 -1.315) 2.829 2.176 ( 0.754 -0.000 -2.197) 2.323 2.416 ( -3.891 0.000 0.777) 3.968 2.428 ( -5.958 -0.000 2.621) 6.510 2.450 ( 6.332 0.000 8.237) 10.390 2.683 ( 3.266 -0.000 13.306) 13.701 2.852 ( -3.103 0.000 5.057) 5.933 2.898 ( -5.264 -0.000 10.256) 11.528 3.026 ( 0.514 -0.000 14.536) 14.545 3.056 ( -0.889 0.000 -0.581) 1.062 3.147 ( -1.113 0.000 19.382) 19.414 3.198 ( 0.804 0.000 10.283) 10.314 3.273 ( -5.491 0.000 -0.804) 5.550 3.309 ( -10.245 -0.000 8.238) 13.146 3.393 ( -5.634 0.000 8.284) 10.018 3.530 ( 2.688 -0.000 5.002) 5.679 3.654 ( 7.567 0.000 17.375) 18.951 3.921 ( 10.542 -0.000 12.493) 16.347 4.098 ( 4.272 0.000 15.198) 15.787 4.118 ( -8.496 -0.000 7.622) 11.414 4.168 ( 2.895 0.000 3.922) 4.874 4.249 ( -0.762 -0.000 -1.568) 1.744 4.265 ( 1.978 0.000 3.297) 3.844 4.396 ( 0.775 0.000 2.877) 2.980 4.432 ( -0.575 0.000 -5.282) 5.314 4.587 ( -3.406 0.000 -3.616) 4.968 4.591 ( 2.266 -0.000 -0.460) 2.313 4.651 ( -0.875 0.000 3.223) 3.340 4.680 ( -10.182 0.000 -2.674) 10.527 4.705 ( -1.272 0.000 2.011) 2.380 4.847 ( 1.040 0.000 -3.037) 3.211 4.933 ( 6.007 0.000 -1.344) 6.155 5.022 ( 4.468 0.000 -8.255) 9.387 5.149 ( -9.402 -0.000 0.545) 9.418 5.192 ( -0.037 0.000 -3.216) 3.216 5.227 ( -1.977 0.000 -5.412) 5.762 5.274 ( 0.645 0.000 -6.444) 6.477 5.299 ( -4.163 0.000 -3.494) 5.435 5.317 ( -1.967 0.000 -5.633) 5.967 5.417 ( 4.567 0.000 -4.456) 6.381 5.468 ( 0.320 0.000 1.079) 1.126 5.501 ( 2.612 -0.000 0.948) 2.779 5.534 ( 2.867 0.000 -1.294) 3.145 5.620 ( -2.780 0.000 -2.460) 3.712 5.687 ( -0.016 0.000 0.199) 0.200 5.746 ( 2.789 0.000 0.308) 2.806 5.841 ( 2.879 0.000 0.313) 2.896 5.860 ( 0.165 -0.000 -1.012) 1.025 5.948 ( -1.930 0.000 -6.592) 6.868 6.004 ( -0.935 -0.000 -4.847) 4.936 6.019 ( 2.755 0.000 0.741) 2.853 6.122 ( 1.523 0.000 -1.850) 2.396 6.414 ( -0.214 0.000 -11.634) 11.636 6.433 ( -0.184 0.000 -11.790) 11.791 6.966 ( 0.211 -0.000 0.075) 0.224 6.981 ( 0.176 0.000 0.196) 0.263 7.138 ( 0.379 0.000 5.924) 5.936 7.178 ( 0.302 0.000 5.886) 5.894 7.623 ( -1.618 0.000 -7.605) 7.775 7.633 ( -1.620 -0.000 -4.950) 5.209 7.855 ( 1.701 0.000 -7.630) 7.818 7.867 ( 1.669 -0.000 -9.320) 9.468 8.257 ( -0.574 0.000 1.479) 1.586 8.302 ( -0.050 -0.000 -0.332) 0.336 8.326 ( -1.974 0.000 -0.644) 2.076 8.352 ( -3.790 0.000 2.679) 4.641 8.548 ( 7.131 0.000 3.390) 7.896 8.582 ( 5.782 0.000 4.281) 7.194 8.828 ( -3.985 -0.000 6.004) 7.206 8.842 ( -3.818 0.000 6.198) 7.280 9.132 ( 1.342 0.000 3.779) 4.010 9.132 ( 1.226 0.000 3.710) 3.908 9.490 ( -2.590 0.000 -11.504) 11.792 9.510 ( -2.878 -0.000 -9.784) 10.198 10.073 ( 1.289 0.000 8.168) 8.269 10.117 ( 0.842 0.000 8.878) 8.918 10.319 ( -2.800 0.000 2.921) 4.046 10.331 ( -0.237 0.000 4.282) 4.289 10.335 ( -0.898 -0.000 4.078) 4.176 10.351 ( -3.271 -0.000 5.541) 6.434 10.508 ( -2.416 -0.000 8.855) 9.179 10.510 ( -1.533 0.000 6.889) 7.058 10.687 ( 3.582 0.000 6.703) 7.600 10.717 ( 4.236 -0.000 2.702) 5.025 10.989 ( -0.097 0.000 -2.185) 2.187 10.995 ( 5.965 -0.000 -1.043) 6.056 11.038 ( 8.808 0.000 -3.783) 9.586 11.060 ( 0.239 -0.000 -4.401) 4.407 11.323 ( -5.761 0.000 2.142) 6.146 11.385 ( -3.606 -0.000 0.386) 3.627 11.506 ( 3.196 0.000 1.801) 3.669 11.528 ( 3.091 -0.000 0.447) 3.123 11.810 ( -2.300 0.000 -7.828) 8.159 11.813 ( -2.235 -0.000 -8.038) 8.343 13.068 ( 1.678 0.000 1.292) 2.118 13.100 ( 2.958 0.000 1.637) 3.381 13.212 ( -3.530 0.000 -0.466) 3.561 13.268 ( -2.419 0.000 -0.584) 2.488 13.589 ( 0.524 0.000 3.039) 3.084 13.677 ( 2.537 -0.000 3.313) 4.173 13.711 ( -3.425 0.000 0.778) 3.512 13.773 ( -1.647 0.000 1.085) 1.972 13.786 ( 0.203 0.000 0.410) 0.458 13.801 ( -0.330 0.000 0.238) 0.407 13.963 ( 1.800 0.000 0.666) 1.919 13.963 ( 1.511 -0.000 -0.019) 1.511 14.218 ( 2.419 0.000 4.275) 4.912 14.277 ( 3.603 0.000 6.529) 7.457 14.424 ( -0.425 0.000 1.747) 1.798 14.450 ( 0.553 0.000 2.678) 2.735 14.923 ( -6.729 -0.000 -8.105) 10.534 14.978 ( -8.473 0.000 -12.272) 14.912 15.261 ( 0.168 -0.000 -3.934) 3.937 15.272 ( 0.878 0.000 -7.212) 7.265 15.327 ( 6.211 0.000 -3.343) 7.053 15.354 ( 3.378 0.000 -4.879) 5.934 15.764 ( -2.555 0.000 -8.395) 8.775 15.801 ( -2.133 0.000 -7.354) 7.657 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -1.140 -0.000 -0.354) 1.194 2.006 ( 1.140 0.000 -0.354) 1.194 2.181 ( -0.518 0.000 8.360) 8.376 2.181 ( 0.518 0.000 8.360) 8.376 2.320 ( -0.025 -0.000 -5.003) 5.003 2.320 ( 0.025 0.000 -5.003) 5.003 2.668 ( -7.683 0.000 6.490) 10.058 2.668 ( 7.683 0.000 6.490) 10.058 2.834 ( -1.086 0.000 6.971) 7.055 2.834 ( 1.086 0.000 6.971) 7.055 2.940 ( -3.849 0.000 19.028) 19.414 2.940 ( 3.849 -0.000 19.028) 19.414 3.186 ( -0.733 0.000 2.907) 2.998 3.186 ( 0.733 0.000 2.907) 2.998 3.206 ( -1.607 0.000 11.673) 11.783 3.206 ( 1.607 -0.000 11.673) 11.783 3.463 ( -7.053 0.000 2.515) 7.488 3.463 ( 7.053 0.000 2.515) 7.488 3.865 ( -10.282 0.000 15.417) 18.531 3.865 ( 10.282 0.000 15.417) 18.531 4.164 ( -0.466 0.000 13.909) 13.917 4.164 ( 0.466 -0.000 13.909) 13.917 4.206 ( -4.518 0.000 -1.092) 4.648 4.206 ( 4.518 -0.000 -1.092) 4.648 4.359 ( -4.671 0.000 6.486) 7.993 4.359 ( 4.671 0.000 6.486) 7.993 4.413 ( -5.427 0.000 -1.243) 5.568 4.413 ( 5.427 0.000 -1.243) 5.568 4.589 ( -0.602 0.000 -2.509) 2.580 4.589 ( 0.602 -0.000 -2.509) 2.580 4.678 ( -2.775 0.000 4.539) 5.320 4.678 ( 2.775 0.000 4.539) 5.320 4.942 ( -6.509 0.000 -2.616) 7.015 4.942 ( 6.509 0.000 -2.616) 7.015 5.112 ( -6.783 0.000 -3.371) 7.575 5.112 ( 6.783 0.000 -3.371) 7.575 5.150 ( -4.884 0.000 -8.402) 9.719 5.150 ( 4.884 0.000 -8.402) 9.719 5.258 ( -0.997 0.000 -4.496) 4.605 5.258 ( 0.997 0.000 -4.496) 4.605 5.347 ( -4.496 0.000 -6.707) 8.074 5.347 ( 4.496 0.000 -6.707) 8.074 5.517 ( -3.486 0.000 -1.979) 4.008 5.517 ( 3.486 -0.000 -1.979) 4.008 5.604 ( -2.356 0.000 -0.928) 2.532 5.604 ( 2.356 0.000 -0.928) 2.532 5.731 ( -5.240 0.000 1.112) 5.356 5.731 ( 5.240 0.000 1.112) 5.356 5.863 ( -0.732 -0.000 1.169) 1.379 5.863 ( 0.732 -0.000 1.169) 1.379 5.960 ( -2.189 0.000 -8.909) 9.174 5.960 ( 2.189 0.000 -8.909) 9.174 6.102 ( -3.105 0.000 -0.177) 3.110 6.102 ( 3.105 0.000 -0.177) 3.110 6.422 ( -0.675 0.000 -11.040) 11.061 6.422 ( 0.675 0.000 -11.040) 11.061 6.978 ( -0.540 0.000 0.265) 0.601 6.978 ( 0.540 0.000 0.265) 0.601 7.160 ( -1.394 0.000 6.528) 6.675 7.160 ( 1.394 0.000 6.528) 6.675 7.609 ( -0.322 0.000 -7.063) 7.070 7.609 ( 0.322 0.000 -7.063) 7.070 7.883 ( -0.426 0.000 -8.131) 8.143 7.883 ( 0.426 0.000 -8.131) 8.143 8.266 ( -1.683 0.000 1.689) 2.384 8.266 ( 1.683 0.000 1.689) 2.384 8.314 ( -0.403 0.000 -0.405) 0.571 8.314 ( 0.403 0.000 -0.405) 0.571 8.700 ( -0.661 -0.000 10.105) 10.126 8.700 ( 0.661 -0.000 10.105) 10.126 8.729 ( -0.684 0.000 -0.596) 0.908 8.729 ( 0.684 0.000 -0.596) 0.908 9.151 ( -0.034 0.000 4.479) 4.479 9.151 ( 0.034 0.000 4.479) 4.479 9.460 ( -0.545 0.000 -10.881) 10.895 9.460 ( 0.545 0.000 -10.881) 10.895 10.114 ( -1.297 0.000 8.441) 8.540 10.114 ( 1.297 0.000 8.441) 8.540 10.289 ( -1.093 0.000 4.599) 4.727 10.289 ( 1.093 0.000 4.599) 4.727 10.329 ( -0.008 0.000 3.346) 3.346 10.329 ( 0.008 0.000 3.346) 3.346 10.488 ( -0.317 0.000 8.127) 8.133 10.488 ( 0.317 -0.000 8.127) 8.133 10.745 ( -1.253 0.000 3.881) 4.078 10.745 ( 1.253 0.000 3.881) 4.078 11.024 ( -2.446 -0.000 -2.619) 3.584 11.024 ( 2.446 0.000 -2.619) 3.584 11.147 ( -5.493 0.000 0.288) 5.501 11.147 ( 5.493 0.000 0.288) 5.501 11.269 ( -6.040 0.000 -0.298) 6.047 11.269 ( 6.040 0.000 -0.298) 6.047 11.564 ( -0.835 0.000 -0.362) 0.910 11.564 ( 0.835 0.000 -0.362) 0.910 11.773 ( -0.152 0.000 -7.603) 7.604 11.773 ( 0.152 0.000 -7.603) 7.604 13.125 ( -3.068 0.000 0.778) 3.165 13.125 ( 3.068 0.000 0.778) 3.165 13.189 ( -3.826 0.000 0.573) 3.869 13.189 ( 3.826 0.000 0.573) 3.869 13.634 ( -3.044 0.000 1.423) 3.360 13.634 ( 3.044 0.000 1.423) 3.360 13.728 ( -2.099 -0.000 1.958) 2.871 13.728 ( 2.099 0.000 1.958) 2.871 13.796 ( -0.332 0.000 0.609) 0.693 13.796 ( 0.332 0.000 0.609) 0.693 13.982 ( -0.101 0.000 -0.253) 0.272 13.982 ( 0.101 0.000 -0.253) 0.272 14.297 ( -2.938 0.000 8.435) 8.932 14.297 ( 2.938 0.000 8.435) 8.932 14.437 ( -1.699 0.000 1.836) 2.502 14.437 ( 1.699 0.000 1.836) 2.502 14.849 ( -1.340 0.000 -11.993) 12.067 14.849 ( 1.340 0.000 -11.993) 12.067 15.272 ( -0.582 0.000 -4.949) 4.983 15.272 ( 0.582 0.000 -4.949) 4.983 15.403 ( -0.083 0.000 -4.474) 4.474 15.403 ( 0.083 0.000 -4.474) 4.474 15.746 ( -1.566 0.000 -7.479) 7.642 15.746 ( 1.566 0.000 -7.479) 7.642 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 0.000 14.727) 14.727 1.896 ( 0.000 0.000 -7.890) 7.890 2.165 ( 0.000 0.000 31.620) 31.620 2.521 ( 0.000 0.000 1.916) 1.916 2.643 ( 0.000 0.000 -4.242) 4.242 2.790 ( 0.000 0.000 0.587) 0.587 2.807 ( 0.000 0.000 6.813) 6.813 2.993 ( 0.000 0.000 6.887) 6.887 3.007 ( 0.000 0.000 -8.309) 8.309 3.056 ( 0.000 0.000 1.793) 1.793 3.098 ( 0.000 0.000 2.804) 2.804 3.367 ( 0.000 0.000 13.628) 13.628 3.478 ( 0.000 0.000 13.048) 13.048 3.490 ( 0.000 0.000 37.094) 37.094 3.518 ( 0.000 0.000 4.914) 4.914 3.637 ( 0.000 0.000 10.566) 10.566 3.638 ( 0.000 0.000 3.954) 3.954 3.781 ( 0.000 0.000 2.372) 2.372 3.784 ( 0.000 0.000 7.744) 7.744 3.880 ( 0.000 0.000 -3.692) 3.692 4.026 ( 0.000 0.000 5.646) 5.646 4.034 ( 0.000 0.000 2.752) 2.752 4.177 ( 0.000 0.000 -2.878) 2.878 4.191 ( 0.000 0.000 -0.665) 0.665 4.313 ( 0.000 0.000 12.421) 12.421 4.418 ( 0.000 0.000 -5.916) 5.916 4.449 ( 0.000 0.000 4.821) 4.821 4.533 ( 0.000 0.000 3.292) 3.292 4.565 ( 0.000 0.000 -0.343) 0.343 4.677 ( 0.000 0.000 -3.645) 3.645 4.721 ( 0.000 0.000 3.874) 3.874 4.794 ( 0.000 0.000 11.273) 11.273 4.831 ( 0.000 0.000 -9.229) 9.229 4.868 ( 0.000 0.000 12.121) 12.121 5.002 ( 0.000 0.000 -0.816) 0.816 5.008 ( 0.000 0.000 -8.497) 8.497 5.077 ( 0.000 0.000 3.601) 3.601 5.140 ( 0.000 0.000 2.517) 2.517 5.223 ( 0.000 0.000 9.452) 9.452 5.282 ( 0.000 0.000 -1.167) 1.167 5.291 ( 0.000 0.000 4.232) 4.232 5.410 ( 0.000 0.000 3.640) 3.640 5.423 ( 0.000 0.000 -7.279) 7.279 5.510 ( 0.000 0.000 7.120) 7.120 5.539 ( 0.000 0.000 -4.394) 4.394 5.576 ( 0.000 0.000 -1.754) 1.754 5.613 ( 0.000 0.000 -11.047) 11.047 5.671 ( 0.000 0.000 -1.094) 1.094 5.768 ( 0.000 0.000 -1.315) 1.315 5.818 ( 0.000 0.000 -3.801) 3.801 5.829 ( 0.000 0.000 -12.000) 12.000 5.982 ( 0.000 0.000 -8.168) 8.168 6.050 ( 0.000 0.000 0.196) 0.196 6.150 ( 0.000 0.000 -13.241) 13.241 6.167 ( 0.000 0.000 -2.525) 2.525 6.206 ( 0.000 0.000 -15.940) 15.940 6.870 ( 0.000 0.000 2.634) 2.634 7.040 ( 0.000 0.000 1.129) 1.129 7.172 ( 0.000 0.000 -1.680) 1.680 7.188 ( 0.000 0.000 -3.862) 3.862 7.431 ( 0.000 0.000 0.046) 0.046 7.583 ( 0.000 0.000 -4.133) 4.133 7.626 ( 0.000 0.000 -13.400) 13.400 7.679 ( 0.000 0.000 -11.267) 11.267 8.139 ( 0.000 0.000 5.089) 5.089 8.249 ( 0.000 0.000 1.267) 1.267 8.422 ( 0.000 0.000 -1.602) 1.602 8.470 ( 0.000 0.000 -5.516) 5.516 8.640 ( 0.000 0.000 7.337) 7.337 8.685 ( 0.000 0.000 11.561) 11.561 8.738 ( 0.000 0.000 5.143) 5.143 9.096 ( 0.000 0.000 1.885) 1.885 9.141 ( 0.000 0.000 1.540) 1.540 9.219 ( 0.000 0.000 4.707) 4.707 9.299 ( 0.000 0.000 -12.630) 12.630 9.445 ( 0.000 0.000 -7.562) 7.562 10.086 ( 0.000 0.000 2.836) 2.836 10.142 ( 0.000 0.000 -1.198) 1.198 10.190 ( 0.000 0.000 7.598) 7.598 10.298 ( 0.000 0.000 6.388) 6.388 10.461 ( 0.000 0.000 8.609) 8.609 10.467 ( 0.000 0.000 -2.054) 2.054 10.595 ( 0.000 0.000 0.719) 0.719 10.786 ( 0.000 0.000 -3.128) 3.128 10.788 ( 0.000 0.000 3.112) 3.112 10.921 ( 0.000 0.000 1.171) 1.171 10.963 ( 0.000 0.000 1.696) 1.696 10.968 ( 0.000 0.000 -0.057) 0.057 11.040 ( 0.000 0.000 -1.885) 1.885 11.110 ( 0.000 0.000 -6.349) 6.349 11.201 ( 0.000 0.000 5.890) 5.890 11.490 ( 0.000 0.000 -2.545) 2.545 11.543 ( 0.000 0.000 -3.050) 3.050 11.543 ( 0.000 0.000 -2.513) 2.513 11.758 ( 0.000 0.000 0.605) 0.605 11.797 ( 0.000 0.000 0.386) 0.386 13.053 ( 0.000 0.000 1.111) 1.111 13.166 ( 0.000 0.000 -2.296) 2.296 13.188 ( 0.000 0.000 2.956) 2.956 13.282 ( 0.000 0.000 0.317) 0.317 13.372 ( 0.000 0.000 1.550) 1.550 13.450 ( 0.000 0.000 1.859) 1.859 13.452 ( 0.000 0.000 -1.001) 1.001 13.541 ( 0.000 0.000 -1.313) 1.313 13.853 ( 0.000 0.000 2.554) 2.554 13.991 ( 0.000 0.000 3.871) 3.871 14.005 ( 0.000 0.000 1.349) 1.349 14.284 ( 0.000 0.000 9.364) 9.364 14.346 ( 0.000 0.000 -10.988) 10.988 14.359 ( 0.000 0.000 6.658) 6.658 14.551 ( 0.000 0.000 1.892) 1.892 14.710 ( 0.000 0.000 3.227) 3.227 14.724 ( 0.000 0.000 9.822) 9.822 14.918 ( 0.000 0.000 0.930) 0.930 15.012 ( 0.000 0.000 -8.808) 8.808 15.139 ( 0.000 0.000 -2.889) 2.889 15.246 ( 0.000 0.000 -6.395) 6.395 15.375 ( 0.000 0.000 -9.781) 9.781 15.464 ( 0.000 0.000 -4.798) 4.798 15.644 ( 0.000 0.000 -9.395) 9.395 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 23.355 0.000 11.354) 25.969 1.992 ( 8.304 0.000 -0.912) 8.354 2.335 ( 12.645 0.000 23.866) 27.009 2.440 ( -6.447 0.000 3.970) 7.571 2.657 ( 1.555 0.000 -2.026) 2.554 2.783 ( 0.566 0.000 3.805) 3.847 2.868 ( -9.106 0.000 -3.773) 9.856 2.948 ( 8.846 0.000 0.672) 8.871 2.976 ( -21.255 0.000 10.353) 23.643 2.990 ( 0.920 0.000 7.648) 7.703 3.103 ( 1.143 0.000 3.199) 3.397 3.135 ( 1.419 0.000 0.147) 1.427 3.240 ( -14.307 0.000 12.532) 19.020 3.526 ( 3.867 0.000 18.170) 18.577 3.604 ( 7.378 0.000 16.418) 18.000 3.668 ( -7.701 0.000 -1.941) 7.942 3.744 ( -2.318 0.000 8.257) 8.577 3.829 ( 0.237 0.000 0.275) 0.363 3.873 ( 10.635 0.000 8.198) 13.428 3.909 ( -5.170 0.000 3.385) 6.180 3.946 ( 0.783 0.000 5.727) 5.780 4.051 ( -4.376 0.000 -3.796) 5.794 4.121 ( 8.356 0.000 6.899) 10.836 4.215 ( 3.637 0.000 5.132) 6.290 4.297 ( -0.165 0.000 -1.407) 1.416 4.406 ( 2.560 0.000 12.788) 13.041 4.452 ( -4.828 0.000 0.810) 4.896 4.467 ( -1.157 0.000 11.723) 11.780 4.603 ( -7.640 0.000 0.020) 7.640 4.647 ( -4.873 0.000 10.172) 11.278 4.664 ( -4.091 0.000 0.826) 4.173 4.698 ( 3.539 0.000 -1.258) 3.756 4.847 ( -4.071 0.000 8.123) 9.086 4.915 ( -1.908 0.000 -1.469) 2.408 5.011 ( 1.088 0.000 6.596) 6.685 5.024 ( 6.481 0.000 -9.716) 11.679 5.081 ( -0.956 0.000 1.349) 1.653 5.122 ( 4.054 0.000 -4.091) 5.760 5.292 ( -0.175 0.000 3.345) 3.349 5.312 ( 3.790 0.000 2.240) 4.402 5.341 ( -5.301 0.000 -0.738) 5.352 5.341 ( 1.206 0.000 2.366) 2.656 5.379 ( -2.153 0.000 0.675) 2.256 5.457 ( 2.484 0.000 -6.446) 6.908 5.553 ( -0.030 0.000 -4.379) 4.379 5.567 ( -4.580 0.000 -7.969) 9.191 5.633 ( 2.196 0.000 -0.172) 2.203 5.672 ( 1.277 0.000 -6.952) 7.069 5.805 ( -2.230 0.000 -11.953) 12.160 5.807 ( 1.098 0.000 -0.082) 1.101 5.871 ( 4.563 0.000 -2.436) 5.173 5.997 ( 0.721 0.000 -6.060) 6.102 6.026 ( -1.097 0.000 -1.344) 1.734 6.104 ( -4.966 0.000 -1.707) 5.251 6.161 ( 1.527 0.000 -14.267) 14.348 6.222 ( 0.296 0.000 -14.030) 14.033 6.901 ( 2.533 0.000 3.161) 4.051 7.021 ( -1.644 0.000 1.959) 2.558 7.210 ( 2.897 0.000 0.026) 2.897 7.245 ( 3.761 0.000 -3.207) 4.942 7.433 ( 0.690 0.000 -3.218) 3.291 7.587 ( 0.438 0.000 -4.982) 5.001 7.592 ( -3.023 0.000 -12.701) 13.056 7.650 ( -2.104 0.000 -9.974) 10.193 8.183 ( 3.752 0.000 3.842) 5.370 8.259 ( 1.136 0.000 1.182) 1.639 8.383 ( -3.161 0.000 0.227) 3.169 8.409 ( -4.595 0.000 -1.008) 4.704 8.662 ( 1.762 0.000 5.169) 5.461 8.729 ( -0.773 0.000 4.522) 4.588 8.768 ( 6.478 0.000 7.604) 9.989 9.092 ( -1.984 0.000 4.424) 4.849 9.171 ( 2.155 0.000 1.841) 2.834 9.226 ( 0.255 0.000 3.972) 3.980 9.228 ( -3.661 0.000 -11.808) 12.362 9.371 ( -5.457 0.000 -6.969) 8.852 10.141 ( 4.578 0.000 3.310) 5.650 10.157 ( 1.638 0.000 0.383) 1.682 10.275 ( 6.272 0.000 5.791) 8.537 10.284 ( -1.861 0.000 5.470) 5.778 10.397 ( -4.909 0.000 6.112) 7.840 10.515 ( 4.498 0.000 -2.160) 4.990 10.554 ( -4.037 0.000 4.074) 5.735 10.787 ( 0.563 0.000 1.201) 1.327 10.818 ( 0.605 0.000 -0.557) 0.822 10.837 ( -5.565 0.000 -2.736) 6.201 10.860 ( -2.313 0.000 0.321) 2.335 11.000 ( -3.453 0.000 -2.652) 4.354 11.076 ( 5.466 0.000 1.328) 5.625 11.209 ( 0.022 0.000 5.121) 5.121 11.221 ( 6.714 0.000 -3.525) 7.584 11.487 ( -3.962 0.000 -3.717) 5.433 11.527 ( 3.365 0.000 -2.047) 3.938 11.597 ( 3.411 0.000 -1.318) 3.657 11.737 ( -1.848 0.000 0.060) 1.849 11.746 ( -4.154 0.000 0.291) 4.164 13.088 ( 2.938 0.000 1.081) 3.131 13.171 ( 0.430 0.000 -1.401) 1.465 13.189 ( -0.052 0.000 2.155) 2.156 13.253 ( -2.675 0.000 0.513) 2.723 13.378 ( 0.714 0.000 1.536) 1.694 13.436 ( -1.142 0.000 1.722) 2.066 13.460 ( 0.712 0.000 -1.084) 1.297 13.521 ( -1.515 0.000 -1.248) 1.963 13.870 ( 1.485 0.000 2.437) 2.854 13.973 ( -2.418 0.000 1.752) 2.986 14.037 ( 3.815 0.000 3.230) 4.999 14.241 ( -3.464 0.000 3.013) 4.591 14.389 ( 3.584 0.000 -3.039) 4.699 14.409 ( 3.960 0.000 7.460) 8.445 14.580 ( 0.150 0.000 6.224) 6.226 14.631 ( -5.726 0.000 3.577) 6.751 14.725 ( 2.564 0.000 3.121) 4.039 14.949 ( 1.879 0.000 -2.567) 3.181 15.006 ( -0.581 0.000 -8.108) 8.129 15.058 ( -6.675 0.000 -3.285) 7.440 15.290 ( 3.466 0.000 -5.193) 6.243 15.420 ( 3.712 0.000 -9.094) 9.823 15.443 ( -1.956 0.000 -4.461) 4.871 15.610 ( -2.938 0.000 -9.086) 9.549 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -10.963 0.000 3.798) 11.602 2.224 ( 10.963 0.000 3.798) 11.602 2.374 ( -27.842 0.000 7.980) 28.963 2.374 ( 27.842 0.000 7.980) 28.963 2.659 ( -12.666 0.000 14.206) 19.033 2.659 ( 12.666 0.000 14.206) 19.033 2.731 ( -5.149 0.000 0.305) 5.158 2.731 ( 5.149 0.000 0.305) 5.158 3.010 ( -4.265 0.000 9.346) 10.273 3.010 ( 4.265 0.000 9.346) 10.273 3.142 ( -1.004 0.000 0.763) 1.262 3.142 ( 1.004 0.000 0.763) 1.262 3.301 ( -18.338 0.000 -3.513) 18.671 3.301 ( 18.338 0.000 -3.513) 18.671 3.638 ( -5.223 0.000 8.659) 10.112 3.638 ( 5.223 0.000 8.659) 10.112 3.804 ( -8.384 0.000 12.821) 15.319 3.804 ( 8.384 0.000 12.821) 15.319 3.859 ( -2.111 0.000 0.833) 2.269 3.859 ( 2.111 0.000 0.833) 2.269 4.028 ( -2.863 0.000 3.926) 4.859 4.028 ( 2.863 0.000 3.926) 4.859 4.305 ( -4.501 0.000 7.254) 8.536 4.305 ( 4.501 0.000 7.254) 8.536 4.349 ( -5.901 0.000 9.188) 10.920 4.349 ( 5.901 0.000 9.188) 10.920 4.447 ( -3.297 0.000 3.264) 4.639 4.447 ( 3.297 0.000 3.264) 4.639 4.466 ( -6.762 0.000 8.888) 11.168 4.466 ( 6.762 0.000 8.888) 11.168 4.719 ( -5.717 0.000 3.195) 6.549 4.719 ( 5.717 0.000 3.195) 6.549 4.784 ( -5.396 0.000 -0.081) 5.397 4.784 ( 5.396 0.000 -0.081) 5.397 5.044 ( -1.751 0.000 4.748) 5.061 5.044 ( 1.751 0.000 4.748) 5.061 5.210 ( -4.129 0.000 -3.438) 5.373 5.210 ( 4.129 0.000 -3.438) 5.373 5.279 ( -4.574 0.000 -3.226) 5.597 5.279 ( 4.574 0.000 -3.226) 5.597 5.311 ( -1.451 0.000 -2.084) 2.539 5.311 ( 1.451 0.000 -2.084) 2.539 5.423 ( -6.368 0.000 -1.652) 6.579 5.423 ( 6.368 0.000 -1.652) 6.579 5.525 ( -2.972 0.000 -7.646) 8.203 5.525 ( 2.972 0.000 -7.646) 8.203 5.736 ( -3.585 0.000 -10.933) 11.506 5.736 ( 3.585 0.000 -10.933) 11.506 5.748 ( -6.096 0.000 0.584) 6.124 5.748 ( 6.096 0.000 0.584) 6.124 5.984 ( -5.159 0.000 -0.976) 5.250 5.984 ( 5.159 0.000 -0.976) 5.250 6.011 ( -0.679 0.000 -3.677) 3.739 6.011 ( 0.679 0.000 -3.677) 3.739 6.204 ( -1.745 0.000 -13.791) 13.901 6.204 ( 1.745 0.000 -13.791) 13.901 6.968 ( -2.991 0.000 3.250) 4.416 6.968 ( 2.991 0.000 3.250) 4.416 7.272 ( -1.723 0.000 0.857) 1.925 7.272 ( 1.723 0.000 0.857) 1.925 7.498 ( -4.698 0.000 -10.517) 11.518 7.498 ( 4.698 0.000 -10.517) 11.518 7.607 ( -1.436 0.000 -7.298) 7.438 7.607 ( 1.436 0.000 -7.298) 7.438 8.291 ( -5.452 0.000 1.943) 5.788 8.291 ( 5.452 0.000 1.943) 5.788 8.307 ( -3.042 0.000 1.180) 3.263 8.307 ( 3.042 0.000 1.180) 3.263 8.703 ( -1.606 0.000 3.932) 4.248 8.703 ( 1.606 0.000 3.932) 4.248 8.946 ( -8.718 0.000 5.097) 10.099 8.946 ( 8.718 0.000 5.097) 10.099 9.215 ( -1.373 0.000 2.616) 2.955 9.215 ( 1.373 0.000 2.616) 2.955 9.251 ( -4.360 0.000 -7.739) 8.882 9.251 ( 4.360 0.000 -7.739) 8.882 10.218 ( -3.439 0.000 3.061) 4.604 10.218 ( 3.439 0.000 3.061) 4.604 10.267 ( -6.162 0.000 4.154) 7.431 10.267 ( 6.162 0.000 4.154) 7.431 10.427 ( -6.684 0.000 4.968) 8.328 10.427 ( 6.684 0.000 4.968) 8.328 10.655 ( -7.445 0.000 -1.137) 7.531 10.655 ( 7.445 0.000 -1.137) 7.531 10.816 ( -1.719 0.000 0.405) 1.766 10.816 ( 1.719 0.000 0.405) 1.766 10.908 ( -4.340 0.000 -2.957) 5.251 10.908 ( 4.340 0.000 -2.957) 5.251 11.176 ( -3.138 0.000 3.114) 4.421 11.176 ( 3.138 0.000 3.114) 4.421 11.369 ( -6.221 0.000 -3.150) 6.973 11.369 ( 6.221 0.000 -3.150) 6.973 11.632 ( -5.485 0.000 -0.611) 5.519 11.632 ( 5.485 0.000 -0.611) 5.519 11.677 ( -3.355 0.000 -0.811) 3.452 11.677 ( 3.355 0.000 -0.811) 3.452 13.172 ( -4.138 0.000 0.919) 4.239 13.172 ( 4.138 0.000 0.919) 4.239 13.183 ( -0.466 0.000 0.421) 0.628 13.183 ( 0.466 0.000 0.421) 0.628 13.405 ( -1.491 0.000 1.521) 2.130 13.405 ( 1.491 0.000 1.521) 2.130 13.485 ( -1.478 0.000 -1.182) 1.893 13.485 ( 1.478 0.000 -1.182) 1.893 13.915 ( -2.440 0.000 2.209) 3.291 13.915 ( 2.440 0.000 2.209) 3.291 14.142 ( -5.007 0.000 2.123) 5.439 14.142 ( 5.007 0.000 2.123) 5.439 14.497 ( -5.730 0.000 1.571) 5.941 14.497 ( 5.730 0.000 1.571) 5.941 14.512 ( -4.702 0.000 8.829) 10.003 14.512 ( 4.702 0.000 8.829) 10.003 14.874 ( -8.781 0.000 -2.782) 9.211 14.874 ( 8.781 0.000 -2.782) 9.211 14.985 ( -1.289 0.000 -6.335) 6.465 14.985 ( 1.289 0.000 -6.335) 6.465 15.377 ( -3.759 0.000 -4.286) 5.701 15.377 ( 3.759 0.000 -4.286) 5.701 15.521 ( -4.691 0.000 -8.641) 9.832 15.521 ( 4.691 0.000 -8.641) 9.832 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 6.268 11.730) 13.299 1.874 ( 0.000 -1.881 -7.828) 8.050 2.227 ( 0.000 5.975 28.263) 28.887 2.520 ( 0.000 0.088 3.132) 3.134 2.601 ( 0.000 -19.068 5.602) 19.874 2.650 ( 0.000 1.353 -2.396) 2.752 2.790 ( 0.000 -17.274 3.887) 17.706 2.842 ( 0.000 4.165 -1.217) 4.339 2.975 ( 0.000 -11.043 3.519) 11.590 2.984 ( 0.000 -0.407 -6.446) 6.459 3.068 ( 0.000 -0.530 0.826) 0.981 3.441 ( 0.000 -7.997 6.958) 10.600 3.443 ( 0.000 6.107 13.302) 14.637 3.527 ( 0.000 -1.047 16.856) 16.888 3.528 ( 0.000 5.072 14.612) 15.468 3.603 ( 0.000 6.231 20.691) 21.609 3.700 ( 0.000 -0.811 2.165) 2.312 3.743 ( 0.000 -2.729 12.794) 13.082 3.801 ( 0.000 -1.149 4.581) 4.723 3.900 ( 0.000 3.842 11.592) 12.212 4.004 ( 0.000 -3.445 0.388) 3.467 4.064 ( 0.000 2.794 -0.650) 2.869 4.210 ( 0.000 -1.157 1.793) 2.134 4.214 ( 0.000 8.032 -2.147) 8.314 4.321 ( 0.000 2.310 12.551) 12.762 4.411 ( 0.000 -1.241 -0.340) 1.286 4.471 ( 0.000 3.809 -7.254) 8.193 4.533 ( 0.000 -2.992 0.947) 3.138 4.624 ( 0.000 5.571 1.637) 5.806 4.660 ( 0.000 -2.034 -0.678) 2.144 4.768 ( 0.000 -3.459 3.198) 4.710 4.805 ( 0.000 8.207 5.118) 9.673 4.832 ( 0.000 -0.609 -6.590) 6.618 4.894 ( 0.000 1.215 8.044) 8.135 4.949 ( 0.000 0.258 1.233) 1.260 5.026 ( 0.000 -3.090 0.644) 3.157 5.057 ( 0.000 4.861 -2.883) 5.651 5.127 ( 0.000 -4.693 3.197) 5.679 5.284 ( 0.000 1.229 5.824) 5.952 5.289 ( 0.000 3.082 2.068) 3.711 5.350 ( 0.000 -6.192 0.637) 6.225 5.366 ( 0.000 7.952 -0.949) 8.008 5.414 ( 0.000 -5.677 1.294) 5.822 5.438 ( 0.000 0.819 -4.130) 4.211 5.518 ( 0.000 -0.968 -1.530) 1.811 5.625 ( 0.000 4.671 -1.698) 4.970 5.665 ( 0.000 -1.364 -2.226) 2.611 5.672 ( 0.000 3.083 -5.197) 6.043 5.757 ( 0.000 -1.546 -1.758) 2.341 5.787 ( 0.000 -2.567 -4.682) 5.340 5.847 ( 0.000 1.808 -8.738) 8.924 5.968 ( 0.000 -1.376 -7.833) 7.953 6.039 ( 0.000 -1.300 0.205) 1.316 6.127 ( 0.000 -2.356 -5.878) 6.333 6.164 ( 0.000 -0.477 -9.943) 9.955 6.191 ( 0.000 -1.475 -15.964) 16.032 6.895 ( 0.000 2.589 3.291) 4.188 7.032 ( 0.000 -0.524 1.311) 1.412 7.175 ( 0.000 0.358 -0.836) 0.909 7.214 ( 0.000 2.111 -2.532) 3.297 7.432 ( 0.000 0.320 -1.274) 1.313 7.598 ( 0.000 1.477 -4.645) 4.874 7.604 ( 0.000 -1.977 -12.169) 12.328 7.683 ( 0.000 0.216 -11.793) 11.795 8.167 ( 0.000 2.872 3.954) 4.887 8.257 ( 0.000 0.866 1.078) 1.383 8.402 ( 0.000 -1.886 -1.259) 2.268 8.454 ( 0.000 -1.756 -5.139) 5.431 8.640 ( 0.000 -0.010 7.530) 7.530 8.656 ( 0.000 -1.545 10.374) 10.488 8.803 ( 0.000 5.103 5.928) 7.822 9.096 ( 0.000 0.048 3.004) 3.004 9.147 ( 0.000 0.051 1.166) 1.167 9.214 ( 0.000 -0.566 4.202) 4.240 9.283 ( 0.000 -1.071 -11.830) 11.879 9.431 ( 0.000 -1.441 -7.723) 7.856 10.091 ( 0.000 1.775 4.001) 4.376 10.218 ( 0.000 2.923 6.933) 7.524 10.220 ( 0.000 6.700 -0.644) 6.731 10.315 ( 0.000 1.625 6.800) 6.991 10.477 ( 0.000 1.589 7.805) 7.965 10.499 ( 0.000 2.775 -1.420) 3.117 10.597 ( 0.000 0.486 1.026) 1.135 10.750 ( 0.000 -4.065 -2.788) 4.929 10.792 ( 0.000 0.559 2.685) 2.743 10.866 ( 0.000 -5.575 1.350) 5.736 10.874 ( 0.000 -4.026 2.498) 4.738 10.928 ( 0.000 -4.861 3.084) 5.757 11.040 ( 0.000 -3.360 -3.431) 4.802 11.183 ( 0.000 -1.194 3.473) 3.673 11.195 ( 0.000 7.897 -3.471) 8.626 11.488 ( 0.000 -5.082 -1.522) 5.305 11.520 ( 0.000 1.891 -4.009) 4.432 11.533 ( 0.000 -0.009 -2.767) 2.767 11.712 ( 0.000 -4.273 1.934) 4.691 11.789 ( 0.000 -1.225 -2.325) 2.628 13.049 ( 0.000 0.141 1.706) 1.712 13.173 ( 0.000 -1.471 3.036) 3.374 13.182 ( 0.000 1.396 -2.295) 2.686 13.285 ( 0.000 0.032 -0.131) 0.135 13.411 ( 0.000 4.676 2.188) 5.162 13.491 ( 0.000 4.457 1.738) 4.784 13.564 ( 0.000 9.657 -2.868) 10.074 13.580 ( 0.000 4.017 -1.169) 4.184 13.846 ( 0.000 -0.750 2.503) 2.613 13.962 ( 0.000 -1.395 3.559) 3.823 14.026 ( 0.000 -0.451 1.122) 1.209 14.246 ( 0.000 -2.828 8.736) 9.182 14.273 ( 0.000 -8.112 -4.940) 9.498 14.351 ( 0.000 -0.907 1.249) 1.543 14.513 ( 0.000 -3.475 2.408) 4.228 14.683 ( 0.000 2.565 5.617) 6.175 14.744 ( 0.000 -4.168 1.566) 4.452 14.956 ( 0.000 3.213 -0.583) 3.265 14.996 ( 0.000 1.868 -2.456) 3.086 15.170 ( 0.000 1.458 -6.227) 6.395 15.228 ( 0.000 -1.837 -6.263) 6.527 15.402 ( 0.000 -5.587 -3.915) 6.822 15.431 ( 0.000 5.364 -9.110) 10.572 15.667 ( 0.000 1.548 -9.522) 9.647 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 19.763 1.739 8.550) 21.603 1.969 ( 8.208 -1.985 -2.338) 8.763 2.342 ( 7.005 -0.214 21.014) 22.152 2.438 ( -6.132 -0.527 3.910) 7.292 2.596 ( -0.322 -11.348 2.339) 11.591 2.656 ( 0.578 -6.132 2.834) 6.780 2.788 ( -3.416 -10.212 7.197) 12.952 2.853 ( 0.730 -1.123 -1.985) 2.395 2.958 ( -3.466 -10.005 1.631) 10.714 3.016 ( 4.750 2.579 -0.802) 5.464 3.075 ( -2.198 -1.345 0.471) 2.619 3.115 ( -10.216 6.184 11.575) 16.631 3.286 ( -9.393 -0.017 9.496) 13.357 3.536 ( 3.424 -1.306 12.144) 12.685 3.619 ( -1.156 -1.578 13.515) 13.656 3.654 ( 0.754 -3.630 -1.178) 3.890 3.747 ( -5.355 -2.184 6.848) 8.964 3.812 ( 2.380 6.129 15.570) 16.902 3.823 ( 2.986 3.949 2.944) 5.760 3.957 ( 5.751 5.035 8.646) 11.540 4.002 ( 2.504 -7.627 4.267) 9.091 4.085 ( -4.703 3.269 3.302) 6.611 4.124 ( -0.263 -0.470 9.546) 9.561 4.185 ( 4.052 5.950 0.066) 7.199 4.327 ( 0.139 0.965 -0.405) 1.056 4.390 ( -0.121 -1.503 7.581) 7.729 4.450 ( -0.086 3.312 12.105) 12.551 4.572 ( -2.235 7.500 -0.742) 7.861 4.647 ( -1.161 -0.753 -3.935) 4.171 4.671 ( -2.750 2.472 5.067) 6.273 4.691 ( -2.911 5.175 2.760) 6.548 4.747 ( -2.009 3.142 3.204) 4.917 4.824 ( -1.060 -4.377 2.354) 5.081 4.922 ( -0.238 2.540 7.859) 8.263 4.979 ( 7.834 -5.293 -7.523) 12.082 5.012 ( -1.102 0.923 -1.921) 2.399 5.077 ( -3.608 3.660 3.962) 6.489 5.167 ( 0.824 1.969 -3.457) 4.063 5.186 ( -1.471 -5.373 0.858) 5.637 5.301 ( -1.618 -3.125 1.587) 3.860 5.332 ( 2.912 -2.917 -3.225) 5.233 5.378 ( 1.832 0.320 0.745) 2.003 5.409 ( -1.490 5.299 1.178) 5.629 5.485 ( 1.288 0.040 -3.827) 4.038 5.541 ( -2.930 0.394 -6.605) 7.236 5.578 ( 0.561 2.327 -3.191) 3.989 5.609 ( -2.146 -3.446 -2.636) 4.840 5.694 ( 2.848 2.615 -2.761) 4.751 5.783 ( 0.762 -2.631 -2.450) 3.675 5.819 ( -2.280 1.147 -8.882) 9.241 5.861 ( 3.446 -0.465 -3.955) 5.267 5.982 ( 0.604 -1.648 -5.645) 5.912 6.016 ( -0.881 -0.950 -1.057) 1.672 6.097 ( -2.989 -0.672 -1.979) 3.647 6.162 ( 1.157 0.004 -13.709) 13.758 6.207 ( 0.486 -1.439 -14.217) 14.298 6.920 ( 2.119 1.978 3.554) 4.587 7.021 ( -1.161 -0.025 1.832) 2.169 7.209 ( 2.692 -0.274 0.703) 2.796 7.258 ( 2.625 1.056 -1.576) 3.238 7.428 ( 0.156 -0.371 -4.302) 4.321 7.547 ( -3.126 -2.211 -10.167) 10.864 7.625 ( 0.736 1.975 -7.053) 7.362 7.673 ( -0.950 1.735 -10.564) 10.748 8.203 ( 3.155 2.046 3.083) 4.862 8.265 ( 0.982 0.566 1.047) 1.543 8.372 ( -2.540 -1.056 -0.030) 2.751 8.405 ( -3.968 -0.463 -0.299) 4.006 8.657 ( 2.109 -0.529 5.006) 5.458 8.714 ( 2.360 -0.938 5.286) 5.864 8.805 ( 1.853 3.156 6.850) 7.767 9.080 ( -3.235 -1.449 4.901) 6.049 9.166 ( 1.817 -0.419 0.026) 1.865 9.211 ( -0.301 -0.304 -0.563) 0.707 9.249 ( -1.054 1.186 -5.695) 5.911 9.364 ( -5.080 -0.720 -6.761) 8.488 10.138 ( 3.924 1.243 4.138) 5.837 10.221 ( 1.199 4.923 1.053) 5.175 10.287 ( 4.131 1.560 5.206) 6.826 10.302 ( -0.897 1.632 6.446) 6.710 10.413 ( -4.781 1.505 5.327) 7.315 10.529 ( -0.828 -0.251 3.641) 3.742 10.565 ( 0.338 2.424 -0.900) 2.608 10.755 ( -1.081 -4.864 0.408) 4.999 10.777 ( -0.828 -0.619 0.927) 1.389 10.836 ( -2.435 -3.425 3.325) 5.359 10.845 ( 0.539 0.854 -3.560) 3.701 10.951 ( 1.490 -3.405 -0.622) 3.769 11.119 ( 2.611 1.162 -1.362) 3.166 11.201 ( 2.075 -1.457 3.883) 4.638 11.223 ( 3.339 2.215 -1.003) 4.131 11.471 ( -3.447 -1.863 -3.178) 5.045 11.532 ( 2.411 -1.406 -3.972) 4.854 11.556 ( 2.530 -1.202 -0.619) 2.868 11.694 ( -1.534 -3.705 1.194) 4.184 11.744 ( -3.655 -1.012 -2.794) 4.711 13.083 ( 2.825 -0.088 1.539) 3.218 13.174 ( 0.249 -0.632 1.359) 1.519 13.184 ( 0.049 0.402 -0.387) 0.560 13.252 ( -2.852 -0.054 0.268) 2.865 13.419 ( 0.746 4.498 1.896) 4.938 13.476 ( -1.225 4.396 1.608) 4.838 13.557 ( -0.440 8.502 -2.324) 8.825 13.569 ( -0.830 4.702 -1.222) 4.929 13.863 ( 1.478 -0.726 2.475) 2.973 13.957 ( -1.580 -1.082 2.370) 3.047 14.044 ( 2.814 -0.832 2.028) 3.568 14.207 ( -2.659 -4.372 1.680) 5.386 14.326 ( 3.628 -4.815 1.281) 6.164 14.409 ( 4.701 -0.804 2.868) 5.565 14.518 ( -1.186 -2.358 6.243) 6.778 14.684 ( 0.654 0.482 0.552) 0.983 14.690 ( -3.479 -2.067 4.482) 6.039 14.884 ( -3.957 -4.522 -3.625) 7.018 15.030 ( 1.371 4.372 -4.261) 6.257 15.137 ( -2.814 3.677 -6.851) 8.269 15.280 ( 3.413 -0.645 -4.116) 5.386 15.389 ( -0.861 -4.361 -3.929) 5.932 15.457 ( 2.442 3.255 -8.668) 9.575 15.633 ( -2.962 1.619 -9.155) 9.757 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -6.264 -5.176 3.070) 8.686 2.166 ( 6.264 -5.176 3.070) 8.686 2.334 ( -12.457 -6.145 3.247) 14.265 2.334 ( 12.457 -6.145 3.247) 14.265 2.636 ( -3.943 2.181 14.156) 14.856 2.636 ( 3.943 2.181 14.156) 14.856 2.703 ( -2.528 -5.296 4.999) 7.709 2.703 ( 2.528 -5.296 4.999) 7.709 2.974 ( -3.180 -3.649 5.353) 7.216 2.974 ( 3.180 -3.649 5.353) 7.216 3.107 ( -2.506 -2.267 2.946) 4.483 3.107 ( 2.506 -2.267 2.946) 4.483 3.330 ( -15.620 1.990 -3.468) 16.124 3.330 ( 15.620 1.990 -3.468) 16.124 3.636 ( -4.310 -1.704 9.076) 10.191 3.636 ( 4.310 -1.704 9.076) 10.191 3.764 ( -4.203 -2.644 4.901) 6.977 3.764 ( 4.203 -2.644 4.901) 6.977 3.907 ( -5.876 5.481 3.547) 8.783 3.907 ( 5.876 5.481 3.547) 8.783 4.073 ( -3.130 3.409 9.585) 10.644 4.073 ( 3.130 3.409 9.585) 10.644 4.227 ( -8.275 -4.541 14.438) 17.250 4.227 ( 8.275 -4.541 14.438) 17.250 4.355 ( -3.161 3.209 8.117) 9.284 4.355 ( 3.161 3.209 8.117) 9.284 4.487 ( -8.089 1.954 6.761) 10.722 4.487 ( 8.089 1.954 6.761) 10.722 4.584 ( -1.748 7.733 -3.066) 8.500 4.584 ( 1.748 7.733 -3.066) 8.500 4.714 ( -1.525 1.088 3.273) 3.771 4.714 ( 1.525 1.088 3.273) 3.771 4.861 ( -3.468 3.283 0.165) 4.779 4.861 ( 3.468 3.283 0.165) 4.779 4.986 ( -2.023 -1.368 5.039) 5.600 4.986 ( 2.023 -1.368 5.039) 5.600 5.157 ( -3.437 -3.718 -2.973) 5.872 5.157 ( 3.437 -3.718 -2.973) 5.872 5.274 ( -6.872 -2.629 -3.662) 8.219 5.274 ( 6.872 -2.629 -3.662) 8.219 5.311 ( -4.093 0.125 -3.748) 5.551 5.311 ( 4.093 0.125 -3.748) 5.551 5.451 ( -1.186 0.309 -1.601) 2.016 5.451 ( 1.186 0.309 -1.601) 2.016 5.545 ( -2.002 2.836 -5.802) 6.761 5.545 ( 2.002 2.836 -5.802) 6.761 5.699 ( -6.596 -2.177 -3.702) 7.871 5.699 ( 6.596 -2.177 -3.702) 7.871 5.767 ( -2.883 0.922 -4.865) 5.730 5.767 ( 2.883 0.922 -4.865) 5.730 5.943 ( -3.760 -2.707 -2.991) 5.515 5.943 ( 3.760 -2.707 -2.991) 5.515 6.038 ( -2.138 1.314 -2.485) 3.532 6.038 ( 2.138 1.314 -2.485) 3.532 6.197 ( -1.324 -0.695 -13.560) 13.642 6.197 ( 1.324 -0.695 -13.560) 13.642 6.977 ( -2.558 0.979 3.217) 4.225 6.977 ( 2.558 0.979 3.217) 4.225 7.269 ( -1.853 -0.496 1.670) 2.544 7.269 ( 1.853 -0.496 1.670) 2.544 7.470 ( -3.339 -1.991 -10.064) 10.789 7.470 ( 3.339 -1.991 -10.064) 10.789 7.646 ( -1.220 3.127 -8.074) 8.743 7.646 ( 1.220 3.127 -8.074) 8.743 8.294 ( -3.939 0.318 1.726) 4.312 8.294 ( 3.939 0.318 1.726) 4.312 8.313 ( -2.808 0.486 1.304) 3.135 8.313 ( 2.808 0.486 1.304) 3.135 8.706 ( -1.885 0.367 3.521) 4.010 8.706 ( 1.885 0.367 3.521) 4.010 8.934 ( -7.875 -1.193 5.423) 9.636 8.934 ( 7.875 -1.193 5.423) 9.636 9.217 ( -0.858 0.170 2.027) 2.208 9.217 ( 0.858 0.170 2.027) 2.208 9.256 ( -3.071 0.468 -7.066) 7.719 9.256 ( 3.071 0.468 -7.066) 7.719 10.232 ( -3.633 1.439 4.517) 5.972 10.232 ( 3.633 1.439 4.517) 5.972 10.294 ( -4.895 2.543 3.194) 6.374 10.294 ( 4.895 2.543 3.194) 6.374 10.419 ( -6.025 -0.665 5.349) 8.084 10.419 ( 6.025 -0.665 5.349) 8.084 10.660 ( -5.274 0.233 -0.030) 5.279 10.660 ( 5.274 0.233 -0.030) 5.279 10.794 ( -1.370 -2.016 1.419) 2.820 10.794 ( 1.370 -2.016 1.419) 2.820 10.915 ( -3.553 0.700 -3.964) 5.369 10.915 ( 3.553 0.700 -3.964) 5.369 11.181 ( -2.574 0.745 3.251) 4.213 11.181 ( 2.574 0.745 3.251) 4.213 11.357 ( -6.156 -1.591 -2.141) 6.709 11.357 ( 6.156 -1.591 -2.141) 6.709 11.600 ( -1.182 -2.742 -1.013) 3.153 11.600 ( 1.182 -2.742 -1.013) 3.153 11.663 ( -0.970 -1.458 -2.343) 2.925 11.663 ( 0.970 -1.458 -2.343) 2.925 13.161 ( -3.352 -0.707 1.103) 3.599 13.161 ( 3.352 -0.707 1.103) 3.599 13.187 ( -1.027 0.306 0.487) 1.178 13.187 ( 1.027 0.306 0.487) 1.178 13.444 ( -1.417 4.299 1.588) 4.797 13.444 ( 1.417 4.299 1.588) 4.797 13.554 ( -0.286 6.437 -1.594) 6.638 13.554 ( 0.286 6.437 -1.594) 6.638 13.907 ( -2.324 -0.776 2.375) 3.412 13.907 ( 2.324 -0.776 2.375) 3.412 14.130 ( -4.065 -2.422 1.117) 4.862 14.130 ( 4.065 -2.422 1.117) 4.862 14.424 ( -4.602 -3.086 3.810) 6.725 14.424 ( 4.602 -3.086 3.810) 6.725 14.554 ( -6.330 0.860 6.543) 9.144 14.554 ( 6.330 0.860 6.543) 9.144 14.783 ( -5.215 -6.259 -3.466) 8.854 14.783 ( 5.215 -6.259 -3.466) 8.854 15.069 ( -2.507 5.359 -6.911) 9.097 15.069 ( 2.507 5.359 -6.911) 9.097 15.350 ( -2.624 -2.015 -3.278) 4.657 15.350 ( 2.624 -2.015 -3.278) 4.657 15.544 ( -4.601 1.852 -8.653) 9.974 15.544 ( 4.601 1.852 -8.653) 9.974 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 6.792 4.578) 8.191 1.878 ( 0.000 4.495 -5.162) 6.845 2.147 ( 0.000 -19.798 5.808) 20.632 2.379 ( 0.000 -10.276 8.592) 13.394 2.489 ( 0.000 -0.868 8.661) 8.705 2.530 ( 0.000 1.410 4.562) 4.775 2.716 ( 0.000 4.269 -0.169) 4.272 2.753 ( 0.000 -11.071 4.521) 11.958 2.878 ( 0.000 1.740 -1.354) 2.205 3.069 ( 0.000 7.539 -0.164) 7.541 3.074 ( 0.000 1.013 2.160) 2.386 3.279 ( 0.000 -6.411 8.228) 10.431 3.352 ( 0.000 -14.130 6.313) 15.476 3.577 ( 0.000 2.605 7.660) 8.091 3.595 ( 0.000 -9.649 1.120) 9.714 3.644 ( 0.000 5.288 22.930) 23.531 3.706 ( 0.000 -0.033 9.519) 9.519 3.715 ( 0.000 5.951 12.810) 14.125 3.820 ( 0.000 0.765 14.935) 14.954 3.978 ( 0.000 13.365 12.368) 18.209 4.091 ( 0.000 -8.036 5.808) 9.915 4.093 ( 0.000 6.191 9.076) 10.986 4.096 ( 0.000 -1.596 -3.904) 4.217 4.370 ( 0.000 6.333 0.098) 6.334 4.427 ( 0.000 -0.469 -11.296) 11.305 4.440 ( 0.000 9.427 15.721) 18.331 4.463 ( 0.000 -3.521 7.986) 8.728 4.521 ( 0.000 3.122 -9.506) 10.006 4.610 ( 0.000 -2.997 3.446) 4.566 4.641 ( 0.000 0.874 2.165) 2.335 4.770 ( 0.000 3.900 -2.956) 4.894 4.771 ( 0.000 -6.685 1.980) 6.972 4.839 ( 0.000 -8.120 3.063) 8.679 4.968 ( 0.000 -3.875 -2.075) 4.396 4.980 ( 0.000 5.299 -1.487) 5.504 5.000 ( 0.000 -6.959 2.184) 7.294 5.038 ( 0.000 7.514 -1.481) 7.658 5.158 ( 0.000 5.354 -0.208) 5.358 5.218 ( 0.000 -4.839 -1.161) 4.976 5.276 ( 0.000 0.973 -0.158) 0.986 5.328 ( 0.000 0.652 2.733) 2.809 5.404 ( 0.000 2.719 -1.788) 3.254 5.471 ( 0.000 3.103 0.726) 3.186 5.486 ( 0.000 -3.801 -1.618) 4.131 5.528 ( 0.000 7.748 -1.903) 7.978 5.623 ( 0.000 -2.576 0.300) 2.593 5.680 ( 0.000 -0.467 -1.875) 1.932 5.685 ( 0.000 -4.472 -5.228) 6.879 5.731 ( 0.000 3.857 -0.076) 3.857 5.771 ( 0.000 0.120 -4.433) 4.435 5.890 ( 0.000 3.091 -5.799) 6.571 5.940 ( 0.000 -1.207 -6.624) 6.733 6.000 ( 0.000 -2.869 -0.712) 2.956 6.065 ( 0.000 -4.275 -2.472) 4.938 6.153 ( 0.000 -0.521 -13.742) 13.752 6.163 ( 0.000 -1.238 -15.542) 15.591 6.956 ( 0.000 3.457 4.237) 5.469 7.024 ( 0.000 -0.450 2.155) 2.201 7.187 ( 0.000 1.080 1.070) 1.521 7.238 ( 0.000 -0.074 1.521) 1.523 7.453 ( 0.000 2.102 -6.158) 6.507 7.560 ( 0.000 -2.749 -11.081) 11.417 7.631 ( 0.000 1.896 -6.031) 6.322 7.680 ( 0.000 -0.563 -10.709) 10.724 8.237 ( 0.000 4.322 1.535) 4.587 8.279 ( 0.000 1.429 0.786) 1.631 8.362 ( 0.000 -2.191 -0.819) 2.339 8.406 ( 0.000 -3.305 -4.089) 5.258 8.638 ( 0.000 -0.505 10.034) 10.047 8.638 ( 0.000 -0.223 8.315) 8.318 8.905 ( 0.000 5.599 5.206) 7.645 9.083 ( 0.000 -2.567 4.833) 5.473 9.138 ( 0.000 0.267 -0.219) 0.346 9.196 ( 0.000 -1.400 2.965) 3.279 9.290 ( 0.000 1.976 -9.416) 9.621 9.394 ( 0.000 -2.558 -7.998) 8.397 10.162 ( 0.000 5.548 7.139) 9.042 10.290 ( 0.000 3.893 5.084) 6.403 10.343 ( 0.000 1.249 8.720) 8.809 10.355 ( 0.000 6.987 1.066) 7.068 10.497 ( 0.000 -0.669 4.917) 4.962 10.527 ( 0.000 -0.689 2.591) 2.681 10.634 ( 0.000 3.541 -0.727) 3.615 10.665 ( 0.000 -3.129 1.586) 3.508 10.769 ( 0.000 -6.896 6.095) 9.203 10.777 ( 0.000 -3.677 2.300) 4.337 10.830 ( 0.000 2.680 -2.020) 3.356 10.838 ( 0.000 -2.691 0.911) 2.841 10.963 ( 0.000 -3.814 0.261) 3.822 11.133 ( 0.000 -5.605 -0.603) 5.638 11.343 ( 0.000 7.610 -2.488) 8.006 11.412 ( 0.000 -1.429 -0.143) 1.436 11.492 ( 0.000 -2.348 -1.799) 2.958 11.599 ( 0.000 4.442 -6.008) 7.472 11.613 ( 0.000 -6.124 1.950) 6.427 11.749 ( 0.000 -2.997 -5.328) 6.113 13.066 ( 0.000 1.548 2.240) 2.723 13.140 ( 0.000 -1.990 2.977) 3.581 13.213 ( 0.000 1.866 -2.069) 2.786 13.276 ( 0.000 -1.090 -0.946) 1.443 13.540 ( 0.000 8.730 3.225) 9.307 13.614 ( 0.000 8.536 1.405) 8.650 13.671 ( 0.000 4.940 -0.198) 4.944 13.741 ( 0.000 7.914 -2.696) 8.360 13.825 ( 0.000 -1.325 1.954) 2.361 13.933 ( 0.000 -6.133 2.414) 6.592 13.951 ( 0.000 -2.914 1.825) 3.438 14.077 ( 0.000 -11.641 -2.975) 12.015 14.240 ( 0.000 2.283 6.053) 6.469 14.325 ( 0.000 -1.689 2.936) 3.387 14.450 ( 0.000 -2.442 1.831) 3.053 14.602 ( 0.000 -8.989 -0.853) 9.029 14.795 ( 0.000 8.090 -0.716) 8.122 15.000 ( 0.000 0.373 -3.584) 3.604 15.072 ( 0.000 4.852 0.228) 4.857 15.182 ( 0.000 0.128 -6.232) 6.233 15.184 ( 0.000 -2.416 -6.224) 6.677 15.288 ( 0.000 -6.103 -1.151) 6.211 15.542 ( 0.000 5.911 -9.156) 10.898 15.677 ( 0.000 -0.789 -9.732) 9.764 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 11.329 1.032 2.049) 11.559 1.967 ( 7.384 3.346 -1.788) 8.302 2.175 ( 1.646 -16.021 4.361) 16.685 2.374 ( -5.084 -10.044 -0.828) 11.288 2.472 ( 1.339 -3.997 8.172) 9.195 2.524 ( 1.540 0.049 8.220) 8.363 2.669 ( -3.769 -6.316 8.672) 11.371 2.822 ( 0.785 3.888 3.942) 5.592 2.876 ( 5.012 1.528 -3.655) 6.389 3.045 ( -3.963 -1.989 3.413) 5.595 3.094 ( 1.641 2.607 2.537) 3.991 3.216 ( -3.610 -3.820 5.746) 7.787 3.278 ( -12.746 9.571 10.807) 19.258 3.429 ( 3.170 -8.795 10.822) 14.301 3.548 ( -3.926 -5.090 7.787) 10.097 3.618 ( 0.862 -0.468 7.275) 7.341 3.681 ( -1.363 -3.989 10.881) 11.669 3.781 ( -6.096 -10.140 9.787) 15.354 3.919 ( 1.574 4.697 3.191) 5.892 3.998 ( 4.043 0.882 9.060) 9.960 4.072 ( 4.598 5.678 2.211) 7.633 4.131 ( 5.335 12.686 14.005) 19.635 4.185 ( 1.709 2.792 4.357) 5.450 4.308 ( -0.601 4.058 -3.697) 5.522 4.392 ( -1.796 7.227 8.356) 11.193 4.419 ( 0.974 4.819 8.086) 9.463 4.512 ( 0.245 0.934 8.894) 8.946 4.579 ( -0.490 -3.746 4.296) 5.721 4.614 ( -2.049 -2.112 0.603) 3.004 4.702 ( 3.238 1.856 -0.290) 3.744 4.726 ( -3.116 -3.033 1.832) 4.718 4.791 ( 0.968 -1.959 0.096) 2.187 4.821 ( 2.052 0.656 -4.160) 4.685 4.881 ( -0.511 -3.044 0.284) 3.100 4.922 ( -0.121 -0.571 -0.888) 1.063 5.066 ( -0.657 2.714 0.910) 2.937 5.112 ( 2.323 0.833 -0.126) 2.471 5.179 ( -2.179 0.740 -3.218) 3.956 5.194 ( -2.972 3.773 3.957) 6.223 5.214 ( -0.660 -4.715 -2.692) 5.470 5.307 ( 1.362 1.826 -1.815) 2.913 5.400 ( -2.746 0.385 -3.261) 4.280 5.435 ( -3.493 -1.918 -0.225) 3.991 5.487 ( -1.352 -0.189 -2.954) 3.255 5.503 ( -1.009 -3.069 -1.137) 3.425 5.592 ( 2.376 2.884 -2.368) 4.424 5.648 ( -0.431 3.440 -2.759) 4.430 5.705 ( 1.800 -3.369 -3.449) 5.146 5.762 ( -0.387 2.519 -4.496) 5.168 5.820 ( 0.756 -1.190 -4.857) 5.058 5.871 ( -0.512 1.194 -3.262) 3.511 5.940 ( -0.754 -2.500 -4.942) 5.590 5.996 ( 1.385 -0.991 -1.663) 2.380 6.080 ( 0.118 -1.219 -2.723) 2.986 6.160 ( 1.086 -0.121 -12.957) 13.003 6.180 ( 0.799 -1.223 -14.250) 14.325 6.966 ( 1.056 2.537 3.884) 4.758 7.021 ( -0.516 0.034 2.271) 2.329 7.204 ( 1.881 -0.009 1.843) 2.634 7.265 ( 1.043 -0.523 2.472) 2.733 7.425 ( -1.088 0.067 -8.850) 8.917 7.518 ( -3.339 -0.795 -8.877) 9.518 7.658 ( 2.125 1.419 -8.701) 9.069 7.701 ( 0.889 1.170 -9.023) 9.142 8.252 ( 1.532 2.901 1.285) 3.524 8.278 ( 0.564 0.696 0.829) 1.220 8.347 ( -1.195 -1.608 0.236) 2.017 8.392 ( -2.524 -0.873 0.372) 2.697 8.644 ( 3.102 -0.679 5.122) 6.026 8.701 ( 2.850 -0.471 6.052) 6.706 8.874 ( -1.788 4.132 5.873) 7.400 9.033 ( -4.504 -3.456 4.818) 7.446 9.168 ( 2.410 0.742 -0.169) 2.527 9.206 ( 0.873 -0.546 1.626) 1.925 9.273 ( -1.214 1.282 -7.085) 7.302 9.348 ( -3.638 -0.883 -6.517) 7.516 10.187 ( 2.552 3.681 6.639) 8.009 10.300 ( 0.044 2.214 4.653) 5.153 10.329 ( -1.339 2.120 4.783) 5.401 10.348 ( 1.373 4.124 5.289) 6.846 10.438 ( -4.145 0.612 3.960) 5.766 10.501 ( -3.569 -2.445 5.333) 6.868 10.618 ( 0.624 1.746 1.047) 2.130 10.677 ( -0.097 -2.805 2.644) 3.857 10.745 ( -0.526 -3.154 1.250) 3.433 10.788 ( -0.371 -0.455 1.102) 1.248 10.872 ( 3.406 2.680 -2.061) 4.800 10.905 ( 4.590 -0.691 -0.999) 4.748 11.079 ( 7.270 -4.415 -0.278) 8.510 11.146 ( 1.865 -4.567 1.463) 5.146 11.307 ( -2.404 4.857 1.973) 5.767 11.433 ( -2.574 -0.830 -0.854) 2.836 11.471 ( 1.832 -2.676 -3.050) 4.452 11.594 ( -0.310 2.838 -4.836) 5.616 11.608 ( -0.399 -5.079 -0.507) 5.120 11.710 ( -3.152 -2.528 -5.530) 6.849 13.091 ( 2.148 0.906 1.993) 3.067 13.153 ( 1.205 -1.269 2.244) 2.846 13.198 ( -1.346 0.714 -0.801) 1.721 13.249 ( -2.190 -0.223 -0.744) 2.324 13.540 ( 0.257 8.084 2.812) 8.563 13.596 ( -1.486 8.218 1.353) 8.460 13.669 ( 0.096 5.264 -0.402) 5.280 13.715 ( -1.734 7.067 -1.903) 7.521 13.844 ( 1.465 -1.437 2.054) 2.903 13.928 ( -1.676 -4.221 1.954) 4.944 13.975 ( 2.795 -3.930 1.416) 5.026 14.064 ( -0.970 -9.648 -1.652) 9.837 14.292 ( 4.420 1.118 4.699) 6.547 14.390 ( 4.774 -0.871 2.243) 5.346 14.478 ( 1.966 -2.191 4.278) 5.193 14.595 ( -0.680 -7.473 0.804) 7.547 14.718 ( -5.357 4.358 -1.847) 7.148 14.850 ( -8.738 -0.803 -1.554) 8.911 15.105 ( 1.206 2.972 -6.253) 7.028 15.166 ( -0.769 -0.160 -7.245) 7.288 15.278 ( 4.564 0.314 -2.350) 5.142 15.310 ( 1.469 -3.397 -1.641) 4.049 15.530 ( -0.190 4.092 -8.995) 9.884 15.649 ( -2.545 -0.187 -9.198) 9.545 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -6.392 -5.714 1.362) 8.681 2.058 ( 6.392 -5.714 1.362) 8.681 2.219 ( -6.082 -3.805 -1.293) 7.290 2.219 ( 6.082 -3.805 -1.293) 7.290 2.509 ( -3.815 -11.585 7.080) 14.103 2.509 ( 3.815 -11.585 7.080) 14.103 2.730 ( -9.025 3.696 5.374) 11.135 2.730 ( 9.025 3.696 5.374) 11.135 2.979 ( -6.534 4.344 9.955) 12.676 2.979 ( 6.534 4.344 9.955) 12.676 3.068 ( -3.003 -0.348 5.196) 6.011 3.068 ( 3.003 -0.348 5.196) 6.011 3.349 ( -9.343 -0.287 0.058) 9.348 3.349 ( 9.343 -0.287 0.058) 9.348 3.578 ( -5.582 -4.173 11.635) 13.563 3.578 ( 5.582 -4.173 11.635) 13.563 3.667 ( -3.026 -8.307 10.339) 13.603 3.667 ( 3.026 -8.307 10.339) 13.603 3.956 ( -3.642 2.558 -6.010) 7.478 3.956 ( 3.642 2.558 -6.010) 7.478 4.200 ( -4.976 6.202 10.724) 13.350 4.200 ( 4.976 6.202 10.724) 13.350 4.307 ( -7.938 11.558 13.392) 19.389 4.307 ( 7.938 11.558 13.392) 19.389 4.397 ( -6.018 0.859 1.674) 6.306 4.397 ( 6.018 0.859 1.674) 6.306 4.485 ( -6.412 0.843 9.247) 11.284 4.485 ( 6.412 0.843 9.247) 11.284 4.618 ( -2.524 -4.772 8.789) 10.315 4.618 ( 2.524 -4.772 8.789) 10.315 4.801 ( -2.997 5.625 -2.560) 6.869 4.801 ( 2.997 5.625 -2.560) 6.869 4.845 ( -3.928 0.346 -3.685) 5.397 4.845 ( 3.928 0.346 -3.685) 5.397 5.043 ( -6.027 -1.363 -0.114) 6.180 5.043 ( 6.027 -1.363 -0.114) 6.180 5.124 ( -2.577 3.121 1.233) 4.231 5.124 ( 2.577 3.121 1.233) 4.231 5.195 ( -6.608 -4.436 -4.107) 8.956 5.195 ( 6.608 -4.436 -4.107) 8.956 5.281 ( -5.273 -4.391 -1.714) 7.073 5.281 ( 5.273 -4.391 -1.714) 7.073 5.432 ( -2.158 0.733 -2.672) 3.512 5.432 ( 2.158 0.733 -2.672) 3.512 5.602 ( -2.121 1.218 -1.847) 3.065 5.602 ( 2.121 1.218 -1.847) 3.065 5.686 ( -3.463 0.942 -9.592) 10.241 5.686 ( 3.463 0.942 -9.592) 10.241 5.771 ( -1.452 -0.328 -1.109) 1.857 5.771 ( 1.452 -0.328 -1.109) 1.857 5.901 ( -2.442 -1.812 -2.763) 4.109 5.901 ( 2.442 -1.812 -2.763) 4.109 6.054 ( -2.410 0.584 -3.218) 4.062 6.054 ( 2.410 0.584 -3.218) 4.062 6.184 ( -0.541 -0.591 -12.757) 12.782 6.184 ( 0.541 -0.591 -12.757) 12.782 6.998 ( -1.469 1.041 2.974) 3.476 6.998 ( 1.469 1.041 2.974) 3.476 7.253 ( -1.837 -0.986 3.089) 3.727 7.253 ( 1.837 -0.986 3.089) 3.727 7.444 ( -2.607 -0.757 -10.050) 10.411 7.444 ( 2.607 -0.757 -10.050) 10.411 7.699 ( -1.113 2.270 -8.478) 8.847 7.699 ( 1.113 2.270 -8.478) 8.847 8.302 ( -2.250 0.486 1.357) 2.673 8.302 ( 2.250 0.486 1.357) 2.673 8.320 ( -2.721 0.191 1.653) 3.190 8.320 ( 2.721 0.191 1.653) 3.190 8.717 ( -2.157 0.790 2.273) 3.231 8.717 ( 2.157 0.790 2.273) 3.231 8.907 ( -5.320 -1.492 6.563) 8.579 8.907 ( 5.320 -1.492 6.563) 8.579 9.220 ( -1.148 0.128 0.879) 1.452 9.220 ( 1.148 0.128 0.879) 1.452 9.267 ( -2.387 0.588 -5.971) 6.458 9.267 ( 2.387 0.588 -5.971) 6.458 10.263 ( -3.238 1.559 6.504) 7.431 10.263 ( 3.238 1.559 6.504) 7.431 10.343 ( -3.116 2.162 2.681) 4.645 10.343 ( 3.116 2.162 2.681) 4.645 10.412 ( -3.757 0.032 5.659) 6.793 10.412 ( 3.757 0.032 5.659) 6.793 10.649 ( -1.735 -1.665 3.684) 4.399 10.649 ( 1.735 -1.665 3.684) 4.399 10.765 ( -1.439 -0.252 0.122) 1.466 10.765 ( 1.439 -0.252 0.122) 1.466 10.940 ( -1.693 1.958 -4.296) 5.016 10.940 ( 1.693 1.958 -4.296) 5.016 11.187 ( -3.133 -1.077 2.664) 4.251 11.187 ( 3.133 -1.077 2.664) 4.251 11.318 ( -5.848 -1.515 1.418) 6.206 11.318 ( 5.848 -1.515 1.418) 6.206 11.548 ( -3.573 -2.615 -2.973) 5.334 11.548 ( 3.573 -2.615 -2.973) 5.334 11.636 ( -2.699 -1.153 -5.078) 5.866 11.636 ( 2.699 -1.153 -5.078) 5.866 13.151 ( -2.693 -0.410 1.273) 3.007 13.151 ( 2.693 -0.410 1.273) 3.007 13.194 ( -2.291 0.358 0.347) 2.345 13.194 ( 2.291 0.358 0.347) 2.345 13.559 ( -1.453 7.676 1.845) 8.027 13.559 ( 1.453 7.676 1.845) 8.027 13.682 ( -1.064 6.197 -1.034) 6.372 13.682 ( 1.064 6.197 -1.034) 6.372 13.884 ( -2.022 -2.242 2.156) 3.710 13.884 ( 2.022 -2.242 2.156) 3.710 14.032 ( -2.003 -6.663 -0.123) 6.959 14.032 ( 2.003 -6.663 -0.123) 6.959 14.412 ( -4.684 0.775 2.497) 5.364 14.412 ( 4.684 0.775 2.497) 5.364 14.546 ( -4.224 -0.901 7.793) 8.909 14.546 ( 4.224 -0.901 7.793) 8.909 14.684 ( -4.401 -4.093 -5.470) 8.127 14.684 ( 4.401 -4.093 -5.470) 8.127 15.137 ( -1.634 1.695 -7.888) 8.232 15.137 ( 1.634 1.695 -7.888) 8.232 15.329 ( -0.434 0.016 -1.815) 1.866 15.329 ( 0.434 0.016 -1.815) 1.866 15.573 ( -3.599 1.059 -8.608) 9.389 15.573 ( 3.599 1.059 -8.608) 9.389 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 -12.314 1.377) 12.390 1.828 ( 0.000 12.314 1.377) 12.390 2.070 ( 0.000 -15.169 -1.115) 15.210 2.070 ( 0.000 15.169 -1.115) 15.210 2.594 ( 0.000 -5.816 5.347) 7.901 2.594 ( 0.000 5.816 5.347) 7.901 2.656 ( 0.000 -8.706 5.273) 10.178 2.656 ( 0.000 8.706 5.273) 10.178 3.055 ( 0.000 -15.169 4.706) 15.882 3.055 ( 0.000 15.169 4.706) 15.882 3.102 ( 0.000 -1.694 7.341) 7.534 3.102 ( 0.000 1.694 7.341) 7.534 3.357 ( 0.000 -11.279 -2.528) 11.558 3.357 ( 0.000 11.279 -2.528) 11.558 3.638 ( 0.000 -2.147 18.777) 18.899 3.638 ( 0.000 2.147 18.777) 18.899 3.779 ( 0.000 -1.209 10.639) 10.708 3.779 ( 0.000 1.209 10.639) 10.708 3.904 ( 0.000 -7.932 12.330) 14.661 3.904 ( 0.000 7.932 12.330) 14.661 4.085 ( 0.000 -0.033 -6.452) 6.452 4.085 ( 0.000 0.033 -6.452) 6.452 4.289 ( 0.000 -11.506 10.604) 15.647 4.289 ( 0.000 11.506 10.604) 15.647 4.469 ( 0.000 -0.011 -3.313) 3.313 4.469 ( 0.000 0.011 -3.313) 3.313 4.562 ( 0.000 -12.213 12.616) 17.559 4.562 ( 0.000 12.213 12.616) 17.559 4.628 ( 0.000 -4.176 -0.636) 4.224 4.628 ( 0.000 4.176 -0.636) 4.224 4.681 ( 0.000 -7.733 3.656) 8.554 4.681 ( 0.000 7.733 3.656) 8.554 4.855 ( 0.000 -5.680 -0.345) 5.690 4.855 ( 0.000 5.680 -0.345) 5.690 4.958 ( 0.000 -0.749 -5.415) 5.467 4.958 ( 0.000 0.749 -5.415) 5.467 5.161 ( 0.000 -3.549 -5.294) 6.374 5.161 ( 0.000 3.549 -5.294) 6.374 5.275 ( 0.000 -5.835 -0.393) 5.848 5.275 ( 0.000 5.835 -0.393) 5.848 5.373 ( 0.000 -7.023 0.003) 7.023 5.373 ( 0.000 7.023 0.003) 7.023 5.476 ( 0.000 -4.149 0.198) 4.153 5.476 ( 0.000 4.149 0.198) 4.153 5.609 ( 0.000 -0.138 -2.365) 2.369 5.609 ( 0.000 0.138 -2.365) 2.369 5.644 ( 0.000 -0.296 0.887) 0.936 5.644 ( 0.000 0.296 0.887) 0.936 5.772 ( 0.000 -0.458 -3.922) 3.949 5.772 ( 0.000 0.458 -3.922) 3.949 5.945 ( 0.000 -2.267 -2.876) 3.662 5.945 ( 0.000 2.267 -2.876) 3.662 5.973 ( 0.000 -4.748 -3.967) 6.187 5.973 ( 0.000 4.748 -3.967) 6.187 6.149 ( 0.000 -0.146 -14.554) 14.555 6.149 ( 0.000 0.146 -14.554) 14.555 7.006 ( 0.000 -1.676 3.578) 3.951 7.006 ( 0.000 1.676 3.578) 3.951 7.216 ( 0.000 -1.592 2.927) 3.331 7.216 ( 0.000 1.592 2.927) 3.331 7.504 ( 0.000 -2.613 -9.872) 10.212 7.504 ( 0.000 2.613 -9.872) 10.212 7.662 ( 0.000 -1.089 -8.252) 8.324 7.662 ( 0.000 1.089 -8.252) 8.324 8.301 ( 0.000 -0.318 0.857) 0.914 8.301 ( 0.000 0.318 0.857) 0.914 8.343 ( 0.000 -1.555 -2.445) 2.898 8.343 ( 0.000 1.555 -2.445) 2.898 8.634 ( 0.000 -0.005 9.343) 9.343 8.634 ( 0.000 0.005 9.343) 9.343 9.005 ( 0.000 -5.064 4.431) 6.729 9.005 ( 0.000 5.064 4.431) 6.729 9.164 ( 0.000 -1.875 1.564) 2.442 9.164 ( 0.000 1.875 1.564) 2.442 9.340 ( 0.000 -2.933 -8.277) 8.781 9.340 ( 0.000 2.933 -8.277) 8.781 10.272 ( 0.000 -5.031 9.021) 10.329 10.272 ( 0.000 5.031 9.021) 10.329 10.412 ( 0.000 -4.294 4.243) 6.037 10.412 ( 0.000 4.294 4.243) 6.037 10.479 ( 0.000 -3.064 3.372) 4.556 10.479 ( 0.000 3.064 3.372) 4.556 10.669 ( 0.000 -1.969 4.153) 4.596 10.669 ( 0.000 1.969 4.153) 4.596 10.709 ( 0.000 -2.594 1.815) 3.166 10.709 ( 0.000 2.594 1.815) 3.166 10.837 ( 0.000 -1.825 -4.308) 4.678 10.837 ( 0.000 1.825 -4.308) 4.678 10.993 ( 0.000 -7.345 2.056) 7.627 10.993 ( 0.000 7.345 2.056) 7.627 11.429 ( 0.000 -1.317 -3.046) 3.318 11.429 ( 0.000 1.317 -3.046) 3.318 11.494 ( 0.000 -5.856 2.008) 6.191 11.494 ( 0.000 5.856 2.008) 6.191 11.681 ( 0.000 -4.189 -6.749) 7.944 11.681 ( 0.000 4.189 -6.749) 7.944 13.101 ( 0.000 -2.048 2.658) 3.355 13.101 ( 0.000 2.048 2.658) 3.355 13.248 ( 0.000 -1.722 -1.623) 2.366 13.248 ( 0.000 1.722 -1.623) 2.366 13.701 ( 0.000 -5.353 4.212) 6.811 13.701 ( 0.000 5.353 4.212) 6.811 13.784 ( 0.000 -6.010 0.706) 6.051 13.784 ( 0.000 6.010 0.706) 6.051 13.800 ( 0.000 -0.702 -0.189) 0.727 13.800 ( 0.000 0.702 -0.189) 0.727 13.931 ( 0.000 -0.476 -1.396) 1.475 13.931 ( 0.000 0.476 -1.396) 1.475 14.290 ( 0.000 -2.038 4.486) 4.928 14.290 ( 0.000 2.038 4.486) 4.928 14.463 ( 0.000 -4.665 0.086) 4.666 14.463 ( 0.000 4.665 0.086) 4.666 14.940 ( 0.000 -6.494 -4.712) 8.024 14.940 ( 0.000 6.494 -4.712) 8.024 15.149 ( 0.000 -2.161 -4.950) 5.402 15.149 ( 0.000 2.161 -4.950) 5.402 15.197 ( 0.000 -2.580 -0.367) 2.606 15.197 ( 0.000 2.580 -0.367) 2.606 15.635 ( 0.000 -3.663 -9.592) 10.268 15.635 ( 0.000 3.663 -9.592) 10.268 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 5.171 0.000 0.116) 5.172 1.964 ( 7.264 -0.000 1.435) 7.404 2.105 ( 2.444 0.000 -0.189) 2.452 2.132 ( 4.732 -0.000 -3.746) 6.035 2.484 ( -6.407 0.000 4.553) 7.860 2.500 ( -6.399 -0.000 6.181) 8.897 2.623 ( 1.988 0.000 7.285) 7.552 2.884 ( 7.656 0.000 -1.066) 7.729 2.955 ( 0.725 0.000 5.435) 5.483 3.013 ( -6.658 0.000 8.419) 10.734 3.065 ( -2.227 0.000 9.620) 9.874 3.236 ( 6.513 -0.000 6.295) 9.058 3.242 ( 0.094 0.000 -1.895) 1.897 3.461 ( -10.150 0.000 11.125) 15.059 3.506 ( -2.278 0.000 3.362) 4.061 3.582 ( -8.256 -0.000 17.418) 19.275 3.640 ( -1.013 0.000 14.069) 14.105 3.641 ( -3.098 0.000 15.619) 15.923 3.954 ( 3.431 0.000 4.891) 5.975 4.011 ( -2.683 0.000 -8.132) 8.563 4.160 ( 5.911 -0.000 4.160) 7.228 4.160 ( 7.312 0.000 2.344) 7.679 4.309 ( 3.034 0.000 1.017) 3.200 4.405 ( 4.585 -0.000 12.530) 13.343 4.455 ( 5.909 0.000 13.020) 14.298 4.499 ( -2.859 0.000 15.241) 15.507 4.525 ( -3.426 0.000 4.789) 5.888 4.570 ( -7.271 0.000 -0.653) 7.300 4.573 ( -3.719 0.000 0.745) 3.793 4.641 ( -2.762 0.000 3.210) 4.235 4.689 ( 8.714 0.000 -2.763) 9.141 4.711 ( 4.326 0.000 2.135) 4.825 4.828 ( 1.009 0.000 3.375) 3.522 4.857 ( 4.494 -0.000 -2.235) 5.019 4.924 ( 1.254 0.000 -2.099) 2.445 5.096 ( -1.590 0.000 -4.985) 5.232 5.131 ( 0.271 0.000 -7.096) 7.101 5.164 ( -1.130 0.000 -3.352) 3.538 5.212 ( -2.757 0.000 -3.208) 4.230 5.281 ( -5.442 0.000 2.807) 6.124 5.290 ( -10.097 -0.000 8.975) 13.509 5.321 ( 0.848 0.000 -4.094) 4.181 5.455 ( -1.260 0.000 -3.712) 3.920 5.484 ( 2.634 0.000 -4.003) 4.792 5.549 ( -0.980 -0.000 -5.591) 5.676 5.550 ( 1.887 0.000 3.944) 4.373 5.676 ( -3.376 0.000 -1.107) 3.553 5.703 ( 2.797 -0.000 -6.278) 6.873 5.789 ( 0.082 -0.000 -3.757) 3.758 5.797 ( 1.111 0.000 -6.299) 6.396 5.882 ( -0.586 0.000 -0.871) 1.049 5.913 ( -3.238 0.000 -2.438) 4.053 5.989 ( 3.385 0.000 -3.283) 4.716 6.062 ( 2.041 0.000 -3.941) 4.438 6.160 ( 1.180 0.000 -12.285) 12.342 6.168 ( 0.846 -0.000 -14.051) 14.076 6.995 ( 0.249 0.000 2.572) 2.584 7.021 ( -0.131 0.000 4.086) 4.088 7.207 ( 1.188 0.000 2.758) 3.003 7.253 ( 0.711 0.000 3.596) 3.665 7.426 ( -1.851 0.000 -11.316) 11.466 7.512 ( -3.147 0.000 -7.639) 8.262 7.672 ( 2.808 0.000 -10.187) 10.567 7.712 ( 1.645 0.000 -7.619) 7.795 8.285 ( 0.033 0.000 0.063) 0.072 8.295 ( -0.316 0.000 -0.352) 0.473 8.319 ( 0.333 0.000 1.795) 1.826 8.381 ( -1.389 0.000 0.553) 1.495 8.637 ( 3.662 0.000 5.477) 6.589 8.697 ( 2.629 0.000 6.395) 6.914 8.941 ( -4.023 -0.000 4.147) 5.778 8.973 ( -3.501 0.000 5.963) 6.915 9.188 ( 1.378 0.000 0.778) 1.583 9.189 ( 2.412 -0.000 1.267) 2.725 9.288 ( -2.624 0.000 -7.620) 8.059 9.337 ( -1.935 0.000 -6.282) 6.573 10.242 ( 0.183 0.000 7.888) 7.890 10.298 ( 0.209 0.000 8.618) 8.620 10.370 ( -2.060 -0.000 2.372) 3.142 10.413 ( -0.793 0.000 3.991) 4.068 10.420 ( -1.149 -0.000 4.671) 4.810 10.463 ( -3.498 0.000 5.182) 6.253 10.632 ( -0.648 -0.000 5.896) 5.932 10.641 ( -1.934 0.000 4.843) 5.215 10.729 ( 2.013 0.000 -2.216) 2.994 10.776 ( 1.436 0.000 -0.093) 1.439 10.914 ( 5.373 0.000 -4.584) 7.063 10.930 ( 3.821 0.000 -4.382) 5.814 11.037 ( 5.851 -0.000 3.582) 6.860 11.046 ( 4.565 0.000 3.171) 5.558 11.381 ( -5.006 0.000 3.151) 5.914 11.393 ( -1.951 -0.000 0.086) 1.953 11.499 ( 1.841 0.000 -3.734) 4.163 11.513 ( -0.223 -0.000 -1.369) 1.387 11.653 ( -1.785 0.000 -6.754) 6.986 11.658 ( -1.993 -0.000 -6.434) 6.735 13.105 ( 1.105 0.000 2.346) 2.593 13.137 ( 2.315 0.000 1.972) 3.041 13.206 ( -2.475 0.000 -0.264) 2.489 13.246 ( -1.263 0.000 -1.544) 1.995 13.663 ( -0.966 0.000 4.078) 4.191 13.718 ( -1.201 0.000 0.904) 1.503 13.742 ( -0.943 0.000 1.837) 2.065 13.781 ( -1.212 0.000 -0.112) 1.217 13.802 ( 0.650 0.000 1.056) 1.240 13.816 ( 0.680 -0.000 1.368) 1.528 13.947 ( 1.228 0.000 -1.677) 2.079 13.957 ( 1.105 0.000 -1.226) 1.650 14.310 ( 3.871 0.000 4.564) 5.984 14.391 ( 5.944 0.000 3.696) 6.999 14.465 ( 0.506 0.000 2.036) 2.098 14.489 ( 2.028 0.000 0.424) 2.072 14.804 ( -9.530 -0.000 -3.661) 10.209 14.810 ( -8.695 0.000 -2.299) 8.994 15.132 ( 0.427 0.000 -7.278) 7.290 15.159 ( -0.317 0.000 -6.140) 6.148 15.278 ( 3.667 0.000 -1.458) 3.946 15.282 ( 5.318 0.000 -0.870) 5.389 15.581 ( -2.221 0.000 -9.517) 9.773 15.637 ( -1.535 0.000 -8.863) 8.995 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -5.188 0.000 -0.054) 5.189 1.996 ( 5.188 0.000 -0.054) 5.189 2.200 ( -3.240 0.000 -5.615) 6.482 2.200 ( 3.240 0.000 -5.615) 6.482 2.371 ( -1.406 0.000 9.471) 9.575 2.371 ( 1.406 0.000 9.471) 9.575 2.766 ( -9.801 0.000 1.110) 9.863 2.766 ( 9.801 0.000 1.110) 9.863 2.997 ( -3.652 0.000 11.463) 12.031 2.997 ( 3.652 0.000 11.463) 12.031 3.142 ( -10.767 0.000 4.245) 11.573 3.142 ( 10.767 0.000 4.245) 11.573 3.344 ( -4.240 0.000 5.155) 6.675 3.344 ( 4.240 0.000 5.155) 6.675 3.456 ( -1.170 0.000 12.746) 12.800 3.456 ( 1.170 0.000 12.746) 12.800 3.614 ( -0.539 0.000 15.264) 15.273 3.614 ( 0.539 0.000 15.264) 15.273 3.991 ( -0.324 0.000 -8.887) 8.893 3.991 ( 0.324 0.000 -8.887) 8.893 4.285 ( -2.157 0.000 7.506) 7.810 4.285 ( 2.157 0.000 7.506) 7.810 4.325 ( -0.778 -0.000 2.972) 3.073 4.325 ( 0.778 -0.000 2.972) 3.073 4.496 ( -2.221 -0.000 13.272) 13.456 4.496 ( 2.221 0.000 13.272) 13.456 4.540 ( -1.396 0.000 0.726) 1.574 4.540 ( 1.396 0.000 0.726) 1.574 4.548 ( -4.609 -0.000 10.065) 11.070 4.548 ( 4.609 0.000 10.065) 11.070 4.789 ( -1.731 0.000 4.890) 5.188 4.789 ( 1.731 0.000 4.890) 5.188 4.918 ( -4.716 0.000 -0.459) 4.739 4.918 ( 4.716 0.000 -0.459) 4.739 4.973 ( -6.950 0.000 -6.316) 9.391 4.973 ( 6.950 0.000 -6.316) 9.391 5.136 ( -1.644 0.000 -1.814) 2.449 5.136 ( 1.644 0.000 -1.814) 2.449 5.176 ( -0.930 0.000 2.250) 2.435 5.176 ( 0.930 0.000 2.250) 2.435 5.233 ( -5.856 -0.000 -3.313) 6.728 5.233 ( 5.856 0.000 -3.313) 6.728 5.457 ( -1.468 0.000 -4.452) 4.688 5.457 ( 1.468 0.000 -4.452) 4.688 5.599 ( -2.391 0.000 0.466) 2.436 5.599 ( 2.391 0.000 0.466) 2.436 5.701 ( -6.695 0.000 -12.142) 13.865 5.701 ( 6.695 0.000 -12.142) 13.865 5.771 ( -0.106 -0.000 -1.195) 1.199 5.771 ( 0.106 0.000 -1.195) 1.199 5.879 ( -0.457 0.000 -1.072) 1.165 5.879 ( 0.457 0.000 -1.072) 1.165 6.061 ( -1.990 0.000 -3.560) 4.079 6.061 ( 1.990 0.000 -3.560) 4.079 6.178 ( -0.122 0.000 -12.272) 12.272 6.178 ( 0.122 0.000 -12.272) 12.272 7.009 ( -0.707 0.000 2.724) 2.814 7.009 ( 0.707 0.000 2.724) 2.814 7.242 ( -1.343 0.000 3.705) 3.941 7.242 ( 1.343 0.000 3.705) 3.941 7.438 ( -2.485 0.000 -10.009) 10.313 7.438 ( 2.485 0.000 -10.009) 10.313 7.721 ( -1.001 0.000 -8.559) 8.617 7.721 ( 1.001 0.000 -8.559) 8.617 8.308 ( -1.181 0.000 1.006) 1.551 8.308 ( 1.181 0.000 1.006) 1.551 8.320 ( -2.663 0.000 2.075) 3.376 8.320 ( 2.663 0.000 2.075) 3.376 8.727 ( -1.468 0.000 1.234) 1.918 8.727 ( 1.468 0.000 1.234) 1.918 8.891 ( -1.496 0.000 7.569) 7.715 8.891 ( 1.496 0.000 7.569) 7.715 9.221 ( -1.340 0.000 0.413) 1.402 9.221 ( 1.340 0.000 0.413) 1.402 9.273 ( -2.859 0.000 -5.630) 6.314 9.273 ( 2.859 0.000 -5.630) 6.314 10.279 ( -1.955 0.000 7.439) 7.692 10.279 ( 1.955 0.000 7.439) 7.692 10.364 ( -2.036 0.000 2.716) 3.395 10.364 ( 2.036 0.000 2.716) 3.395 10.415 ( -0.530 0.000 5.520) 5.546 10.415 ( 0.530 0.000 5.520) 5.546 10.623 ( -0.055 0.000 6.154) 6.154 10.623 ( 0.055 0.000 6.154) 6.154 10.772 ( -1.436 0.000 -2.341) 2.746 10.772 ( 1.436 0.000 -2.341) 2.746 10.966 ( -0.354 0.000 -3.206) 3.225 10.966 ( 0.354 0.000 -3.206) 3.225 11.159 ( -1.876 0.000 1.502) 2.403 11.159 ( 1.876 0.000 1.502) 2.403 11.312 ( -3.057 0.000 4.676) 5.587 11.312 ( 3.057 0.000 4.676) 5.587 11.519 ( -0.533 0.000 -4.981) 5.009 11.519 ( 0.533 -0.000 -4.981) 5.009 11.625 ( -0.067 0.000 -6.125) 6.126 11.625 ( 0.067 0.000 -6.125) 6.126 13.147 ( -2.434 0.000 1.311) 2.765 13.147 ( 2.434 0.000 1.311) 2.765 13.198 ( -2.738 0.000 0.220) 2.747 13.198 ( 2.738 0.000 0.220) 2.747 13.671 ( -1.609 0.000 2.158) 2.692 13.671 ( 1.609 0.000 2.158) 2.692 13.753 ( -1.071 -0.000 0.501) 1.183 13.753 ( 1.071 0.000 0.501) 1.183 13.817 ( -0.479 0.000 1.626) 1.695 13.817 ( 0.479 -0.000 1.626) 1.695 13.966 ( -0.298 -0.000 -1.407) 1.438 13.966 ( 0.298 0.000 -1.407) 1.438 14.416 ( -3.557 0.000 2.261) 4.215 14.416 ( 3.557 0.000 2.261) 4.215 14.544 ( -0.594 -0.000 9.796) 9.814 14.544 ( 0.594 0.000 9.796) 9.814 14.640 ( -1.303 0.000 -8.494) 8.593 14.640 ( 1.303 0.000 -8.494) 8.593 15.148 ( -0.756 0.000 -7.456) 7.494 15.148 ( 0.756 0.000 -7.456) 7.494 15.335 ( -0.863 0.000 -1.936) 2.119 15.335 ( 0.863 0.000 -1.936) 2.119 15.582 ( -2.374 0.000 -8.535) 8.859 15.582 ( 2.374 0.000 -8.535) 8.859 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 0.000 5.943) 5.943 1.768 ( 0.000 0.000 -4.908) 4.908 2.561 ( 0.000 0.000 1.956) 1.956 2.591 ( 0.000 0.000 -1.294) 1.294 2.731 ( 0.000 0.000 23.984) 23.984 2.798 ( 0.000 0.000 0.532) 0.532 2.848 ( 0.000 0.000 -5.455) 5.455 2.920 ( 0.000 0.000 5.708) 5.708 2.993 ( 0.000 0.000 -5.234) 5.234 3.090 ( 0.000 0.000 -6.117) 6.117 3.154 ( 0.000 0.000 8.113) 8.113 3.341 ( 0.000 0.000 -11.393) 11.393 3.587 ( 0.000 0.000 1.799) 1.799 3.596 ( 0.000 0.000 0.972) 0.972 3.742 ( 0.000 0.000 8.684) 8.684 3.777 ( 0.000 0.000 3.374) 3.374 3.841 ( 0.000 0.000 1.878) 1.878 3.841 ( 0.000 0.000 -0.587) 0.587 4.010 ( 0.000 0.000 9.417) 9.417 4.086 ( 0.000 0.000 6.405) 6.405 4.088 ( 0.000 0.000 0.286) 0.286 4.089 ( 0.000 0.000 3.333) 3.333 4.189 ( 0.000 0.000 4.854) 4.854 4.247 ( 0.000 0.000 6.767) 6.767 4.265 ( 0.000 0.000 -7.732) 7.732 4.387 ( 0.000 0.000 -5.186) 5.186 4.441 ( 0.000 0.000 14.371) 14.371 4.597 ( 0.000 0.000 -2.979) 2.979 4.633 ( 0.000 0.000 -6.863) 6.863 4.761 ( 0.000 0.000 -8.103) 8.103 4.776 ( 0.000 0.000 12.452) 12.452 4.839 ( 0.000 0.000 15.105) 15.105 4.848 ( 0.000 0.000 -0.911) 0.911 4.937 ( 0.000 0.000 5.116) 5.116 5.006 ( 0.000 0.000 -7.219) 7.219 5.087 ( 0.000 0.000 12.400) 12.400 5.196 ( 0.000 0.000 13.163) 13.163 5.211 ( 0.000 0.000 3.874) 3.874 5.242 ( 0.000 0.000 -6.975) 6.975 5.297 ( 0.000 0.000 -3.417) 3.417 5.335 ( 0.000 0.000 -15.123) 15.123 5.361 ( 0.000 0.000 0.842) 0.842 5.403 ( 0.000 0.000 5.695) 5.695 5.500 ( 0.000 0.000 0.837) 0.837 5.509 ( 0.000 0.000 5.598) 5.598 5.547 ( 0.000 0.000 -13.266) 13.266 5.578 ( 0.000 0.000 6.333) 6.333 5.604 ( 0.000 0.000 -5.431) 5.431 5.668 ( 0.000 0.000 -7.318) 7.318 5.686 ( 0.000 0.000 9.176) 9.176 5.787 ( 0.000 0.000 0.240) 0.240 5.793 ( 0.000 0.000 -11.387) 11.387 5.875 ( 0.000 0.000 -10.174) 10.174 5.897 ( 0.000 0.000 -13.188) 13.188 6.085 ( 0.000 0.000 1.479) 1.479 6.122 ( 0.000 0.000 -2.079) 2.079 7.004 ( 0.000 0.000 9.884) 9.884 7.068 ( 0.000 0.000 1.836) 1.836 7.115 ( 0.000 0.000 -3.009) 3.009 7.167 ( 0.000 0.000 -2.090) 2.090 7.387 ( 0.000 0.000 -6.639) 6.639 7.444 ( 0.000 0.000 1.610) 1.610 7.460 ( 0.000 0.000 -9.712) 9.712 7.500 ( 0.000 0.000 -3.818) 3.818 8.254 ( 0.000 0.000 5.744) 5.744 8.290 ( 0.000 0.000 2.918) 2.918 8.357 ( 0.000 0.000 -4.506) 4.506 8.366 ( 0.000 0.000 -4.678) 4.678 8.811 ( 0.000 0.000 9.768) 9.768 8.840 ( 0.000 0.000 4.320) 4.320 8.856 ( 0.000 0.000 4.090) 4.090 9.021 ( 0.000 0.000 -10.554) 10.554 9.161 ( 0.000 0.000 -0.135) 0.135 9.162 ( 0.000 0.000 0.432) 0.432 9.287 ( 0.000 0.000 1.880) 1.880 9.327 ( 0.000 0.000 -3.580) 3.580 10.123 ( 0.000 0.000 0.762) 0.762 10.128 ( 0.000 0.000 -0.224) 0.224 10.322 ( 0.000 0.000 5.385) 5.385 10.395 ( 0.000 0.000 -0.600) 0.600 10.452 ( 0.000 0.000 3.950) 3.950 10.555 ( 0.000 0.000 -4.354) 4.354 10.600 ( 0.000 0.000 5.755) 5.755 10.704 ( 0.000 0.000 -4.814) 4.814 10.869 ( 0.000 0.000 4.857) 4.857 10.955 ( 0.000 0.000 1.805) 1.805 10.974 ( 0.000 0.000 -5.398) 5.398 10.976 ( 0.000 0.000 1.112) 1.112 10.977 ( 0.000 0.000 -0.233) 0.233 11.012 ( 0.000 0.000 -2.531) 2.531 11.321 ( 0.000 0.000 6.270) 6.270 11.448 ( 0.000 0.000 -6.141) 6.141 11.467 ( 0.000 0.000 0.145) 0.145 11.490 ( 0.000 0.000 -2.041) 2.041 11.787 ( 0.000 0.000 1.421) 1.421 11.801 ( 0.000 0.000 -0.084) 0.084 13.083 ( 0.000 0.000 1.780) 1.780 13.122 ( 0.000 0.000 -2.126) 2.126 13.243 ( 0.000 0.000 2.367) 2.367 13.277 ( 0.000 0.000 -0.950) 0.950 13.402 ( 0.000 0.000 1.417) 1.417 13.429 ( 0.000 0.000 -1.310) 1.310 13.484 ( 0.000 0.000 1.557) 1.557 13.513 ( 0.000 0.000 -1.427) 1.427 13.943 ( 0.000 0.000 6.665) 6.665 14.029 ( 0.000 0.000 0.952) 0.952 14.035 ( 0.000 0.000 0.652) 0.652 14.118 ( 0.000 0.000 -10.642) 10.642 14.454 ( 0.000 0.000 7.211) 7.211 14.520 ( 0.000 0.000 9.236) 9.236 14.552 ( 0.000 0.000 -2.307) 2.307 14.701 ( 0.000 0.000 -7.189) 7.189 14.916 ( 0.000 0.000 8.094) 8.094 14.927 ( 0.000 0.000 2.321) 2.321 14.981 ( 0.000 0.000 5.214) 5.214 15.071 ( 0.000 0.000 -2.580) 2.580 15.109 ( 0.000 0.000 -7.067) 7.067 15.174 ( 0.000 0.000 -9.946) 9.946 15.413 ( 0.000 0.000 0.313) 0.313 15.482 ( 0.000 0.000 -6.288) 6.288 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 18.667 0.000 2.985) 18.905 1.945 ( 13.976 0.000 -1.898) 14.104 2.507 ( -5.727 0.000 3.896) 6.926 2.593 ( -1.533 0.000 -4.177) 4.450 2.778 ( 2.766 0.000 9.022) 9.436 2.788 ( -3.272 0.000 -0.708) 3.347 2.853 ( 5.723 0.000 10.520) 11.976 2.977 ( 5.108 0.000 2.805) 5.827 3.043 ( 3.141 0.000 -3.186) 4.474 3.065 ( -3.602 0.000 -3.964) 5.356 3.161 ( 1.175 0.000 9.441) 9.514 3.297 ( -11.898 0.000 7.501) 14.064 3.424 ( 2.591 0.000 -9.506) 9.852 3.446 ( -10.034 0.000 3.394) 10.593 3.621 ( -14.868 0.000 0.786) 14.889 3.719 ( -5.241 0.000 -4.347) 6.809 3.840 ( 0.995 0.000 1.244) 1.593 3.886 ( 2.042 0.000 -2.761) 3.434 3.948 ( -4.962 0.000 0.744) 5.018 3.954 ( -1.954 0.000 0.590) 2.041 4.105 ( 0.822 0.000 5.397) 5.459 4.178 ( 5.577 0.000 -1.591) 5.800 4.260 ( 2.091 0.000 21.275) 21.378 4.320 ( 7.408 0.000 4.155) 8.494 4.390 ( 8.143 0.000 1.452) 8.272 4.461 ( 4.825 0.000 7.928) 9.281 4.519 ( -6.362 0.000 -5.733) 8.564 4.609 ( 2.717 0.000 5.030) 5.716 4.632 ( 3.311 0.000 -3.189) 4.597 4.697 ( 2.981 0.000 -2.720) 4.035 4.790 ( -3.847 0.000 14.325) 14.833 4.844 ( 5.838 0.000 3.970) 7.060 4.934 ( -3.764 0.000 12.894) 13.432 4.939 ( 2.657 0.000 -2.765) 3.834 4.965 ( -0.634 0.000 1.078) 1.251 5.102 ( 0.518 0.000 0.678) 0.853 5.106 ( -2.664 0.000 2.209) 3.461 5.175 ( -2.862 0.000 10.622) 11.001 5.243 ( -4.819 0.000 -13.031) 13.893 5.304 ( -0.640 0.000 2.725) 2.799 5.344 ( 2.293 0.000 -2.393) 3.314 5.359 ( -1.684 0.000 0.156) 1.692 5.378 ( -0.213 0.000 -0.910) 0.935 5.401 ( -4.637 0.000 0.260) 4.645 5.458 ( -6.230 0.000 -11.817) 13.359 5.490 ( -1.658 0.000 -0.950) 1.911 5.521 ( -4.348 0.000 2.222) 4.882 5.548 ( -2.985 0.000 -10.284) 10.708 5.667 ( 4.041 0.000 3.614) 5.421 5.789 ( 1.438 0.000 -0.377) 1.486 5.843 ( 2.051 0.000 -10.882) 11.073 5.852 ( 5.708 0.000 1.601) 5.928 5.884 ( 1.111 0.000 -11.239) 11.294 5.931 ( 2.780 0.000 -6.446) 7.020 6.065 ( -1.807 0.000 -0.713) 1.942 6.076 ( -3.779 0.000 -1.146) 3.949 7.028 ( 1.960 0.000 8.085) 8.319 7.082 ( 0.700 0.000 5.176) 5.223 7.143 ( 3.043 0.000 -4.988) 5.843 7.245 ( 5.283 0.000 -2.837) 5.997 7.342 ( -3.421 0.000 -4.128) 5.361 7.434 ( -1.420 0.000 0.747) 1.605 7.451 ( -0.247 0.000 -9.039) 9.042 7.493 ( -0.811 0.000 -4.443) 4.517 8.264 ( 1.412 0.000 3.453) 3.730 8.287 ( 0.533 0.000 1.155) 1.272 8.364 ( -0.519 0.000 -1.549) 1.633 8.370 ( -0.666 0.000 -2.135) 2.236 8.789 ( -0.793 0.000 7.174) 7.218 8.829 ( -1.118 0.000 5.648) 5.757 8.864 ( 1.303 0.000 0.577) 1.425 8.998 ( -2.212 0.000 -10.736) 10.961 9.164 ( 0.687 0.000 2.855) 2.937 9.192 ( 2.147 0.000 0.072) 2.148 9.275 ( -1.106 0.000 0.730) 1.325 9.285 ( -3.307 0.000 -1.669) 3.704 10.171 ( 3.693 0.000 0.928) 3.808 10.180 ( 4.720 0.000 0.485) 4.745 10.380 ( 4.570 0.000 4.654) 6.522 10.393 ( -4.048 0.000 4.867) 6.330 10.458 ( -5.541 0.000 -0.465) 5.560 10.462 ( 4.903 0.000 -3.203) 5.856 10.627 ( -1.422 0.000 4.189) 4.424 10.728 ( -0.076 0.000 -5.565) 5.566 10.813 ( -1.903 0.000 1.150) 2.223 10.829 ( -4.653 0.000 -0.371) 4.668 10.888 ( -2.548 0.000 2.405) 3.503 10.944 ( -3.364 0.000 -2.977) 4.492 11.108 ( 6.438 0.000 2.040) 6.753 11.157 ( 7.071 0.000 -2.848) 7.623 11.310 ( -1.674 0.000 4.963) 5.238 11.405 ( -3.320 0.000 -4.483) 5.578 11.514 ( 4.255 0.000 0.756) 4.321 11.550 ( 4.343 0.000 -2.601) 5.062 11.750 ( -3.092 0.000 0.658) 3.161 11.754 ( -4.035 0.000 0.269) 4.044 13.113 ( 2.556 0.000 1.386) 2.908 13.142 ( 1.676 0.000 -1.489) 2.242 13.230 ( -1.253 0.000 1.744) 2.148 13.253 ( -2.161 0.000 -0.577) 2.237 13.407 ( 0.652 0.000 1.437) 1.578 13.435 ( 0.635 0.000 -1.364) 1.504 13.467 ( -1.326 0.000 1.437) 1.955 13.495 ( -1.444 0.000 -1.356) 1.980 13.955 ( 1.037 0.000 6.145) 6.232 14.017 ( -1.051 0.000 2.479) 2.692 14.055 ( 1.577 0.000 -1.089) 1.917 14.112 ( -0.523 0.000 -9.090) 9.105 14.500 ( 3.967 0.000 7.738) 8.696 14.571 ( 4.276 0.000 8.498) 9.513 14.614 ( 5.326 0.000 -2.853) 6.042 14.702 ( -0.739 0.000 -1.095) 1.322 14.833 ( -5.816 0.000 6.659) 8.842 14.866 ( -3.754 0.000 -0.660) 3.812 14.926 ( -3.420 0.000 -2.266) 4.102 14.961 ( -7.024 0.000 -6.224) 9.385 15.213 ( 5.514 0.000 -1.658) 5.758 15.257 ( 5.448 0.000 -6.188) 8.244 15.394 ( -1.854 0.000 0.108) 1.857 15.455 ( -2.394 0.000 -5.858) 6.328 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -13.845 0.000 3.323) 14.238 2.283 ( 13.845 0.000 3.323) 14.238 2.368 ( -18.528 0.000 -4.652) 19.103 2.368 ( 18.528 0.000 -4.652) 19.103 2.848 ( -8.931 0.000 7.141) 11.435 2.848 ( 8.931 0.000 7.141) 11.435 2.869 ( -4.120 0.000 5.494) 6.867 2.869 ( 4.120 0.000 5.494) 6.867 3.139 ( -3.976 0.000 0.194) 3.981 3.139 ( 3.976 0.000 0.194) 3.981 3.201 ( -10.383 0.000 -4.864) 11.466 3.201 ( 10.383 0.000 -4.864) 11.466 3.279 ( -9.132 0.000 15.203) 17.734 3.279 ( 9.132 0.000 15.203) 17.734 3.562 ( -7.630 0.000 -10.887) 13.295 3.562 ( 7.630 0.000 -10.887) 13.295 3.877 ( -2.365 0.000 1.179) 2.642 3.877 ( 2.365 0.000 1.179) 2.642 3.917 ( -1.761 0.000 -2.864) 3.362 3.917 ( 1.761 0.000 -2.864) 3.362 4.180 ( -5.199 0.000 11.219) 12.365 4.180 ( 5.199 0.000 11.219) 12.365 4.333 ( -7.707 0.000 -4.174) 8.765 4.333 ( 7.707 0.000 -4.174) 8.765 4.516 ( -7.895 0.000 3.953) 8.829 4.516 ( 7.895 0.000 3.953) 8.829 4.567 ( -6.325 0.000 0.495) 6.344 4.567 ( 6.325 0.000 0.495) 6.344 4.674 ( -8.178 0.000 16.436) 18.358 4.674 ( 8.178 0.000 16.436) 18.358 4.853 ( -6.498 0.000 3.308) 7.292 4.853 ( 6.498 0.000 3.308) 7.292 4.910 ( -4.647 0.000 15.211) 15.905 4.910 ( 4.647 0.000 15.211) 15.905 5.061 ( -10.559 0.000 -9.094) 13.936 5.061 ( 10.559 0.000 -9.094) 13.936 5.102 ( -0.859 0.000 0.158) 0.873 5.102 ( 0.859 0.000 0.158) 0.873 5.216 ( -8.908 0.000 -4.302) 9.892 5.216 ( 8.908 0.000 -4.302) 9.892 5.308 ( -2.452 0.000 2.778) 3.706 5.308 ( 2.452 0.000 2.778) 3.706 5.421 ( -2.834 0.000 -1.920) 3.423 5.421 ( 2.834 0.000 -1.920) 3.423 5.424 ( -4.095 0.000 -1.504) 4.363 5.424 ( 4.095 0.000 -1.504) 4.363 5.472 ( -2.373 0.000 -12.156) 12.386 5.472 ( 2.373 0.000 -12.156) 12.386 5.766 ( -3.416 0.000 2.030) 3.974 5.766 ( 3.416 0.000 2.030) 3.974 5.883 ( -1.269 0.000 -9.608) 9.691 5.883 ( 1.269 0.000 -9.608) 9.691 5.973 ( -5.006 0.000 0.292) 5.014 5.973 ( 5.006 0.000 0.292) 5.014 6.006 ( -3.315 0.000 -3.744) 5.001 6.006 ( 3.315 0.000 -3.744) 5.001 7.074 ( -1.561 0.000 7.209) 7.377 7.074 ( 1.561 0.000 7.209) 7.377 7.238 ( -4.712 0.000 -7.717) 9.042 7.238 ( 4.712 0.000 -7.717) 9.042 7.368 ( -4.343 0.000 1.604) 4.629 7.368 ( 4.343 0.000 1.604) 4.629 7.465 ( -1.344 0.000 -6.547) 6.684 7.465 ( 1.344 0.000 -6.547) 6.684 8.321 ( -3.158 0.000 0.801) 3.257 8.321 ( 3.158 0.000 0.801) 3.257 8.324 ( -2.389 0.000 0.409) 2.423 8.324 ( 2.389 0.000 0.409) 2.423 8.798 ( -1.339 0.000 5.820) 5.972 8.798 ( 1.339 0.000 5.820) 5.972 8.925 ( -3.714 0.000 -6.004) 7.060 8.925 ( 3.714 0.000 -6.004) 7.060 9.207 ( -3.064 0.000 2.026) 3.673 9.207 ( 3.064 0.000 2.026) 3.673 9.240 ( -1.955 0.000 -0.361) 1.988 9.240 ( 1.955 0.000 -0.361) 1.988 10.279 ( -5.459 0.000 2.749) 6.113 10.279 ( 5.459 0.000 2.749) 6.113 10.311 ( -6.418 0.000 0.028) 6.418 10.311 ( 6.418 0.000 0.028) 6.418 10.521 ( -6.408 0.000 4.657) 7.922 10.521 ( 6.408 0.000 4.657) 7.922 10.607 ( -7.322 0.000 -3.636) 8.175 10.607 ( 7.322 0.000 -3.636) 8.175 10.831 ( -2.331 0.000 0.990) 2.532 10.831 ( 2.331 0.000 0.990) 2.532 10.858 ( -3.859 0.000 -1.891) 4.297 10.858 ( 3.859 0.000 -1.891) 4.297 11.236 ( -4.724 0.000 3.137) 5.671 11.236 ( 4.724 0.000 3.137) 5.671 11.302 ( -5.693 0.000 -3.427) 6.645 11.302 ( 5.693 0.000 -3.427) 6.645 11.636 ( -5.932 0.000 0.888) 5.998 11.636 ( 5.932 0.000 0.888) 5.998 11.658 ( -4.814 0.000 -1.119) 4.942 11.658 ( 4.814 0.000 -1.119) 4.942 13.186 ( -3.537 0.000 0.431) 3.563 13.186 ( 3.537 0.000 0.431) 3.563 13.189 ( -2.228 0.000 0.109) 2.231 13.189 ( 2.228 0.000 0.109) 2.231 13.433 ( -1.519 0.000 1.351) 2.033 13.433 ( 1.519 0.000 1.351) 2.033 13.460 ( -1.471 0.000 -1.329) 1.982 13.460 ( 1.471 0.000 -1.329) 1.982 13.986 ( -1.546 0.000 4.746) 4.992 13.986 ( 1.546 0.000 4.746) 4.992 14.091 ( -1.375 0.000 -5.216) 5.394 14.091 ( 1.375 0.000 -5.216) 5.394 14.618 ( -5.869 0.000 8.433) 10.274 14.618 ( 5.869 0.000 8.433) 10.274 14.690 ( -5.670 0.000 8.419) 10.150 14.690 ( 5.670 0.000 8.419) 10.150 14.781 ( -8.036 0.000 -6.331) 10.231 14.781 ( 8.036 0.000 -6.331) 10.231 14.854 ( -2.400 0.000 -7.102) 7.496 14.854 ( 2.400 0.000 -7.102) 7.496 15.325 ( -4.213 0.000 -0.328) 4.226 15.325 ( 4.213 0.000 -0.328) 4.226 15.375 ( -4.645 0.000 -5.291) 7.041 15.375 ( 4.645 0.000 -5.291) 7.041 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 1.379 4.099) 4.324 1.758 ( 0.000 -0.410 -3.988) 4.009 2.575 ( 0.000 1.277 2.650) 2.942 2.622 ( 0.000 2.989 -1.433) 3.315 2.700 ( 0.000 -20.475 7.269) 21.727 2.734 ( 0.000 -1.274 17.894) 17.940 2.798 ( 0.000 -18.509 -2.453) 18.670 2.822 ( 0.000 2.342 0.225) 2.353 2.869 ( 0.000 4.121 -4.057) 5.783 2.987 ( 0.000 -8.662 -4.181) 9.618 3.139 ( 0.000 -0.139 7.186) 7.188 3.358 ( 0.000 2.661 -13.343) 13.605 3.575 ( 0.000 -2.224 5.764) 6.178 3.644 ( 0.000 4.627 -0.229) 4.632 3.680 ( 0.000 -6.864 5.146) 8.579 3.747 ( 0.000 -4.210 -0.820) 4.289 3.862 ( 0.000 6.746 12.463) 14.172 4.000 ( 0.000 -2.299 5.883) 6.317 4.036 ( 0.000 1.377 0.676) 1.534 4.064 ( 0.000 0.196 -0.147) 0.245 4.074 ( 0.000 -0.090 5.691) 5.692 4.102 ( 0.000 10.687 -2.045) 10.881 4.245 ( 0.000 5.228 5.605) 7.665 4.248 ( 0.000 -0.533 6.860) 6.881 4.292 ( 0.000 2.973 -4.803) 5.649 4.363 ( 0.000 -2.904 -1.942) 3.493 4.501 ( 0.000 6.247 11.969) 13.501 4.584 ( 0.000 -1.184 -2.885) 3.118 4.632 ( 0.000 -0.099 -6.584) 6.585 4.742 ( 0.000 -2.755 -6.520) 7.079 4.765 ( 0.000 -0.873 10.533) 10.569 4.844 ( 0.000 3.102 12.955) 13.321 4.932 ( 0.000 6.797 7.385) 10.037 4.972 ( 0.000 -3.392 -6.808) 7.606 4.987 ( 0.000 4.623 0.554) 4.656 5.075 ( 0.000 -1.550 9.447) 9.574 5.158 ( 0.000 -4.079 13.799) 14.390 5.190 ( 0.000 -3.322 3.414) 4.764 5.226 ( 0.000 -2.418 -9.910) 10.201 5.273 ( 0.000 -3.091 -3.886) 4.966 5.326 ( 0.000 -0.546 -9.079) 9.096 5.357 ( 0.000 1.155 -3.590) 3.772 5.423 ( 0.000 2.870 3.438) 4.478 5.471 ( 0.000 -3.341 5.706) 6.612 5.504 ( 0.000 -0.489 0.972) 1.089 5.534 ( 0.000 1.635 -7.160) 7.344 5.621 ( 0.000 0.912 -3.326) 3.449 5.644 ( 0.000 4.547 2.608) 5.242 5.663 ( 0.000 0.115 -6.392) 6.393 5.717 ( 0.000 2.775 -2.437) 3.694 5.741 ( 0.000 -4.030 2.357) 4.669 5.822 ( 0.000 2.288 -4.906) 5.413 5.884 ( 0.000 0.378 -11.080) 11.086 5.899 ( 0.000 0.208 -10.947) 10.949 6.063 ( 0.000 -2.388 1.295) 2.717 6.097 ( 0.000 -2.644 -2.035) 3.336 7.036 ( 0.000 3.152 9.968) 10.454 7.072 ( 0.000 0.651 2.853) 2.926 7.142 ( 0.000 2.625 -3.938) 4.733 7.191 ( 0.000 2.445 -0.539) 2.504 7.375 ( 0.000 -1.323 -7.095) 7.217 7.437 ( 0.000 -0.823 1.946) 2.113 7.455 ( 0.000 -0.301 -10.230) 10.235 7.504 ( 0.000 0.377 -4.416) 4.432 8.261 ( 0.000 0.789 4.861) 4.924 8.293 ( 0.000 0.299 2.559) 2.576 8.349 ( 0.000 -0.805 -3.804) 3.888 8.360 ( 0.000 -0.671 -4.138) 4.192 8.813 ( 0.000 0.164 9.706) 9.707 8.827 ( 0.000 -0.521 6.559) 6.580 8.891 ( 0.000 2.659 1.113) 2.883 9.020 ( 0.000 -0.094 -10.645) 10.645 9.160 ( 0.000 0.009 1.162) 1.162 9.173 ( 0.000 1.092 -0.189) 1.108 9.274 ( 0.000 -1.379 1.774) 2.247 9.315 ( 0.000 -1.246 -3.425) 3.644 10.159 ( 0.000 4.709 2.759) 5.457 10.201 ( 0.000 6.624 -1.444) 6.779 10.343 ( 0.000 2.186 5.462) 5.884 10.421 ( 0.000 2.564 -0.260) 2.577 10.475 ( 0.000 2.240 2.984) 3.731 10.568 ( 0.000 1.339 -3.874) 4.099 10.603 ( 0.000 0.038 5.195) 5.195 10.694 ( 0.000 -1.071 -3.669) 3.822 10.831 ( 0.000 -3.610 1.794) 4.031 10.865 ( 0.000 -4.934 -1.104) 5.056 10.926 ( 0.000 -2.755 2.472) 3.702 10.956 ( 0.000 -2.972 -0.241) 2.982 11.029 ( 0.000 1.458 2.095) 2.552 11.103 ( 0.000 6.879 -4.894) 8.442 11.278 ( 0.000 -4.229 6.028) 7.364 11.406 ( 0.000 -3.959 -6.117) 7.287 11.476 ( 0.000 0.748 -0.522) 0.912 11.489 ( 0.000 0.282 -1.560) 1.585 11.747 ( 0.000 -4.074 1.445) 4.323 11.766 ( 0.000 -3.532 -0.589) 3.580 13.089 ( 0.000 0.837 2.201) 2.355 13.135 ( 0.000 1.310 -2.361) 2.700 13.231 ( 0.000 -1.235 2.639) 2.914 13.272 ( 0.000 -0.711 -1.349) 1.525 13.457 ( 0.000 5.928 2.460) 6.418 13.509 ( 0.000 7.635 -2.702) 8.099 13.524 ( 0.000 4.287 1.562) 4.562 13.554 ( 0.000 4.235 -1.454) 4.477 13.930 ( 0.000 -1.456 6.116) 6.287 14.013 ( 0.000 -1.262 1.751) 2.158 14.034 ( 0.000 -1.069 -0.347) 1.124 14.088 ( 0.000 -3.429 -9.478) 10.080 14.411 ( 0.000 -3.769 7.361) 8.270 14.483 ( 0.000 -3.477 8.503) 9.186 14.516 ( 0.000 -3.533 -2.638) 4.409 14.653 ( 0.000 -5.024 -7.553) 9.072 14.846 ( 0.000 -2.050 7.797) 8.062 14.986 ( 0.000 1.034 -4.206) 4.331 14.986 ( 0.000 0.199 3.779) 3.784 15.096 ( 0.000 -1.428 -6.620) 6.773 15.097 ( 0.000 4.279 3.605) 5.595 15.247 ( 0.000 5.945 -9.063) 10.839 15.386 ( 0.000 -2.358 2.545) 3.469 15.492 ( 0.000 0.522 -7.590) 7.608 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 15.353 -2.345 2.069) 15.668 1.922 ( 13.394 -1.723 -1.882) 13.635 2.491 ( -7.750 -2.714 2.660) 8.631 2.541 ( -6.832 -8.180 -1.397) 10.749 2.730 ( 2.509 -8.058 4.362) 9.500 2.756 ( 1.526 -3.957 6.744) 7.967 2.835 ( 1.841 -1.036 5.614) 5.998 2.892 ( 6.458 -8.466 1.949) 10.825 2.948 ( 4.422 -0.927 -2.954) 5.399 2.966 ( 0.743 -7.025 -2.245) 7.412 3.157 ( 2.281 0.724 9.007) 9.319 3.351 ( -11.353 4.953 5.334) 13.486 3.436 ( 0.115 2.429 -8.576) 8.914 3.457 ( -9.089 0.065 5.043) 10.394 3.623 ( -11.842 -1.877 0.224) 11.992 3.717 ( -4.801 -0.779 -6.085) 7.790 3.805 ( 1.302 -2.583 5.951) 6.617 3.886 ( -3.176 0.879 0.039) 3.296 3.992 ( -3.642 1.699 1.595) 4.324 4.011 ( -3.898 2.778 -1.389) 4.984 4.136 ( 3.417 2.258 1.870) 4.502 4.182 ( 4.958 3.083 0.201) 5.842 4.282 ( 5.848 0.471 11.545) 12.950 4.372 ( 7.927 5.510 13.272) 16.412 4.421 ( 8.900 3.221 2.740) 9.854 4.472 ( -0.178 1.185 3.029) 3.258 4.520 ( -5.044 0.148 -4.287) 6.621 4.570 ( 7.391 -1.036 1.391) 7.592 4.663 ( -2.212 1.951 4.773) 5.611 4.731 ( 8.011 1.843 -7.647) 11.228 4.814 ( -2.918 1.679 9.694) 10.263 4.845 ( 3.785 -1.087 4.877) 6.269 4.889 ( -2.553 0.898 8.309) 8.739 4.936 ( -2.618 -0.743 5.747) 6.359 5.011 ( 0.304 3.332 1.888) 3.842 5.096 ( 0.286 -1.998 -0.918) 2.218 5.148 ( -1.897 -2.175 4.180) 5.080 5.155 ( -1.428 -0.423 0.427) 1.549 5.194 ( -1.166 -0.959 2.951) 3.315 5.258 ( -3.122 -2.491 -0.122) 3.996 5.284 ( -3.703 -3.898 -2.393) 5.885 5.335 ( -0.047 -2.124 -6.668) 6.998 5.395 ( -4.387 0.688 -4.091) 6.038 5.428 ( -3.951 0.111 -1.030) 4.085 5.459 ( 0.922 1.969 -2.805) 3.549 5.497 ( -2.897 1.988 -3.764) 5.149 5.544 ( -2.475 2.544 -3.411) 4.923 5.601 ( -2.744 0.527 -6.539) 7.111 5.698 ( 1.846 3.702 2.838) 5.017 5.761 ( 1.156 -2.466 0.634) 2.796 5.794 ( 4.048 -1.689 -3.074) 5.356 5.885 ( 3.196 1.688 -8.193) 8.955 5.898 ( 1.384 -0.550 -6.000) 6.182 5.933 ( 2.689 0.910 -6.920) 7.480 6.045 ( -1.601 -2.000 -0.420) 2.596 6.062 ( -2.815 -1.333 -1.513) 3.462 7.051 ( 1.305 2.207 8.039) 8.438 7.072 ( 0.548 -0.458 3.642) 3.711 7.176 ( 2.317 2.465 -3.888) 5.154 7.259 ( 4.471 1.707 -1.266) 4.950 7.334 ( -3.118 -0.819 -4.975) 5.928 7.403 ( -1.613 -1.938 0.029) 2.522 7.473 ( 0.483 0.841 -7.340) 7.404 7.503 ( -0.358 1.184 -5.459) 5.597 8.269 ( 1.303 0.512 2.760) 3.095 8.287 ( 0.584 0.057 0.822) 1.010 8.360 ( -0.227 -0.237 -0.685) 0.759 8.375 ( -0.227 0.272 -2.051) 2.081 8.782 ( -0.704 -0.536 7.253) 7.307 8.831 ( -0.907 0.168 6.385) 6.451 8.879 ( 0.131 1.403 -0.772) 1.606 8.995 ( -2.338 -0.308 -10.104) 10.376 9.166 ( 0.831 0.313 3.156) 3.279 9.199 ( 1.918 0.726 -0.180) 2.059 9.261 ( -1.583 -1.274 0.596) 2.118 9.284 ( -2.049 -0.204 -1.622) 2.621 10.204 ( 3.761 3.741 2.393) 5.819 10.231 ( 2.940 4.903 -0.284) 5.724 10.389 ( 1.984 1.300 5.013) 5.546 10.420 ( -1.700 2.384 4.849) 5.665 10.466 ( -3.480 1.116 -0.832) 3.748 10.497 ( 2.683 3.147 -3.254) 5.262 10.621 ( -1.857 -0.828 4.103) 4.579 10.717 ( 0.090 -1.239 -4.997) 5.149 10.789 ( -2.274 -2.757 1.814) 4.008 10.815 ( -0.794 0.297 -0.403) 0.939 10.886 ( -3.022 -1.659 1.732) 3.858 10.920 ( -2.260 -1.887 -1.937) 3.525 11.123 ( 5.616 0.856 1.891) 5.987 11.177 ( 5.507 2.508 -2.886) 6.704 11.296 ( 0.031 -1.568 4.885) 5.131 11.393 ( -2.124 -1.343 -4.580) 5.224 11.493 ( 2.536 -2.128 0.212) 3.317 11.524 ( 3.466 -1.861 -2.341) 4.578 11.710 ( -3.233 -4.110 0.650) 5.269 11.721 ( -3.765 -3.331 -0.344) 5.038 13.116 ( 2.324 0.523 1.772) 2.969 13.151 ( 1.362 0.909 -1.654) 2.327 13.221 ( -0.938 -0.907 1.886) 2.293 13.248 ( -2.100 -0.607 -0.738) 2.307 13.460 ( 0.379 5.537 2.226) 5.980 13.503 ( -0.620 5.734 -0.463) 5.786 13.513 ( -0.571 5.656 -0.444) 5.702 13.540 ( -1.048 4.639 -1.562) 5.006 13.944 ( 1.151 -1.290 5.693) 5.950 14.006 ( -0.896 -1.118 2.507) 2.887 14.048 ( 1.244 -1.346 -1.315) 2.256 14.087 ( -0.194 -3.036 -8.191) 8.738 14.451 ( 3.464 -4.008 7.581) 9.249 14.522 ( 3.016 -4.711 6.223) 8.367 14.573 ( 4.555 -3.566 -1.790) 6.055 14.664 ( 0.743 -4.815 -4.999) 6.980 14.789 ( -4.051 -1.637 7.013) 8.263 14.888 ( -7.029 1.218 4.537) 8.455 14.943 ( -2.600 1.682 -5.601) 6.400 15.002 ( -4.202 2.162 -5.930) 7.582 15.228 ( 5.254 1.637 -0.324) 5.513 15.289 ( 3.788 3.067 -6.188) 7.877 15.375 ( -1.164 -1.454 1.735) 2.546 15.468 ( -2.241 0.782 -6.984) 7.377 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -9.639 -5.776 3.242) 11.695 2.223 ( 9.639 -5.776 3.242) 11.695 2.300 ( -11.089 -6.818 -4.093) 13.646 2.300 ( 11.089 -6.818 -4.093) 13.646 2.811 ( -1.316 -6.578 4.815) 8.257 2.811 ( 1.316 -6.578 4.815) 8.257 2.841 ( -4.596 -3.310 3.889) 6.870 2.841 ( 4.596 -3.310 3.889) 6.870 3.069 ( -9.211 -1.501 5.879) 11.030 3.069 ( 9.211 -1.501 5.879) 11.030 3.212 ( -12.491 1.709 -5.320) 13.684 3.212 ( 12.491 1.709 -5.320) 13.684 3.303 ( -11.125 1.451 12.127) 16.520 3.303 ( 11.125 1.451 12.127) 16.520 3.567 ( -7.002 1.248 -11.335) 13.382 3.567 ( 7.002 1.248 -11.335) 13.382 3.873 ( -1.623 0.070 4.736) 5.007 3.873 ( 1.623 0.070 4.736) 5.007 3.932 ( -1.187 -0.739 -0.870) 1.647 3.932 ( 1.187 -0.739 -0.870) 1.647 4.227 ( -3.160 4.210 6.436) 8.315 4.227 ( 3.160 4.210 6.436) 8.315 4.358 ( -5.910 0.330 -5.936) 8.383 4.358 ( 5.910 0.330 -5.936) 8.383 4.529 ( -4.779 2.798 9.130) 10.678 4.529 ( 4.779 2.798 9.130) 10.678 4.603 ( -4.125 2.940 3.330) 6.062 4.603 ( 4.125 2.940 3.330) 6.062 4.695 ( -4.858 2.967 9.776) 11.312 4.695 ( 4.858 2.967 9.776) 11.312 4.807 ( -3.945 -1.706 6.955) 8.176 4.807 ( 3.945 -1.706 6.955) 8.176 4.957 ( -2.249 0.244 7.207) 7.554 4.957 ( 2.249 0.244 7.207) 7.554 5.038 ( -7.389 -2.382 -6.523) 10.140 5.038 ( 7.389 -2.382 -6.523) 10.140 5.101 ( -1.944 2.770 3.125) 4.606 5.101 ( 1.944 2.770 3.125) 4.606 5.216 ( -1.947 -6.099 0.829) 6.455 5.216 ( 1.947 -6.099 0.829) 6.455 5.255 ( -4.720 1.484 -3.059) 5.818 5.255 ( 4.720 1.484 -3.059) 5.818 5.371 ( -1.921 -2.152 -6.590) 7.194 5.371 ( 1.921 -2.152 -6.590) 7.194 5.467 ( -0.711 2.980 -1.420) 3.377 5.467 ( 0.711 2.980 -1.420) 3.377 5.540 ( -2.326 2.713 -8.944) 9.632 5.540 ( 2.326 2.713 -8.944) 9.632 5.751 ( -2.111 -0.858 3.137) 3.878 5.751 ( 2.111 -0.858 3.137) 3.878 5.871 ( -2.451 -1.106 -6.950) 7.452 5.871 ( 2.451 -1.106 -6.950) 7.452 5.983 ( -2.997 0.545 -2.219) 3.768 5.983 ( 2.997 0.545 -2.219) 3.768 5.997 ( -1.714 -0.511 -3.142) 3.616 5.997 ( 1.714 -0.511 -3.142) 3.616 7.079 ( -0.657 0.442 6.826) 6.872 7.079 ( 0.657 0.442 6.826) 6.872 7.241 ( -3.678 0.184 -8.492) 9.256 7.241 ( 3.678 0.184 -8.492) 9.256 7.359 ( -2.936 -0.618 3.868) 4.895 7.359 ( 2.936 -0.618 3.868) 4.895 7.486 ( -0.930 1.859 -7.677) 7.953 7.486 ( 0.930 1.859 -7.677) 7.953 8.321 ( -2.716 0.159 0.984) 2.893 8.321 ( 2.716 0.159 0.984) 2.893 8.331 ( -2.880 0.557 0.184) 2.939 8.331 ( 2.880 0.557 0.184) 2.939 8.797 ( -1.580 -0.053 5.826) 6.037 8.797 ( 1.580 -0.053 5.826) 6.037 8.924 ( -3.396 -0.150 -5.741) 6.671 8.924 ( 3.396 -0.150 -5.741) 6.671 9.205 ( -2.548 -0.158 2.159) 3.344 9.205 ( 2.548 -0.158 2.159) 3.344 9.243 ( -1.862 0.336 -0.646) 1.999 9.243 ( 1.862 0.336 -0.646) 1.999 10.306 ( -4.839 2.647 2.771) 6.173 10.306 ( 4.839 2.647 2.771) 6.173 10.333 ( -5.643 2.201 0.316) 6.065 10.333 ( 5.643 2.201 0.316) 6.065 10.523 ( -5.598 0.241 5.225) 7.661 10.523 ( 5.598 0.241 5.225) 7.661 10.621 ( -6.154 1.311 -4.017) 7.465 10.621 ( 6.154 1.311 -4.017) 7.465 10.818 ( -2.374 -1.387 1.517) 3.140 10.818 ( 2.374 -1.387 1.517) 3.140 10.856 ( -2.627 -0.083 -2.172) 3.409 10.856 ( 2.627 -0.083 -2.172) 3.409 11.242 ( -4.309 0.541 3.042) 5.302 11.242 ( 4.309 0.541 3.042) 5.302 11.305 ( -5.172 0.272 -3.125) 6.049 11.305 ( 5.172 0.272 -3.125) 6.049 11.597 ( -4.784 -3.908 0.888) 6.241 11.597 ( 4.784 -3.908 0.888) 6.241 11.626 ( -3.646 -3.212 -1.711) 5.151 11.626 ( 3.646 -3.212 -1.711) 5.151 13.181 ( -2.293 -0.288 0.824) 2.454 13.181 ( 2.293 -0.288 0.824) 2.454 13.191 ( -1.008 0.141 -0.139) 1.028 13.191 ( 1.008 0.141 -0.139) 1.028 13.478 ( -1.179 4.794 1.845) 5.270 13.478 ( 1.179 4.794 1.845) 5.270 13.517 ( -0.782 5.722 -2.011) 6.115 13.517 ( 0.782 5.722 -2.011) 6.115 13.976 ( -1.574 -1.098 4.484) 4.877 13.976 ( 1.574 -1.098 4.484) 4.877 14.075 ( -0.911 -2.138 -4.915) 5.436 14.075 ( 0.911 -2.138 -4.915) 5.436 14.540 ( -2.988 -5.276 7.230) 9.436 14.540 ( 2.988 -5.276 7.230) 9.436 14.673 ( -1.263 -6.209 -4.339) 7.679 14.673 ( 1.263 -6.209 -4.339) 7.679 14.744 ( -3.264 1.546 7.831) 8.624 14.744 ( 3.264 1.546 7.831) 8.624 14.920 ( -1.581 3.691 -8.263) 9.187 14.920 ( 1.581 3.691 -8.263) 9.187 15.323 ( -3.196 0.021 0.912) 3.323 15.323 ( 3.196 0.021 0.912) 3.323 15.392 ( -4.264 1.444 -5.949) 7.460 15.392 ( 4.264 1.444 -5.949) 7.460 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 3.874 2.980) 4.888 1.802 ( 0.000 6.255 -3.894) 7.368 2.261 ( 0.000 -23.726 6.190) 24.520 2.378 ( 0.000 -22.799 -4.681) 23.274 2.606 ( 0.000 2.395 3.544) 4.278 2.677 ( 0.000 2.309 -3.346) 4.065 2.725 ( 0.000 -1.575 9.573) 9.702 2.821 ( 0.000 -8.166 0.171) 8.168 2.923 ( 0.000 9.689 5.062) 10.932 3.024 ( 0.000 11.749 -4.161) 12.464 3.188 ( 0.000 5.508 10.375) 11.747 3.400 ( 0.000 -4.328 -4.840) 6.493 3.483 ( 0.000 -7.323 11.897) 13.970 3.531 ( 0.000 -5.011 -2.912) 5.796 3.567 ( 0.000 -11.572 -3.259) 12.022 3.716 ( 0.000 0.476 -9.014) 9.026 3.945 ( 0.000 -0.681 8.560) 8.587 3.999 ( 0.000 7.383 14.034) 15.857 4.028 ( 0.000 -0.801 8.933) 8.968 4.122 ( 0.000 4.738 0.969) 4.836 4.130 ( 0.000 5.111 -2.440) 5.663 4.221 ( 0.000 -2.099 7.412) 7.703 4.266 ( 0.000 -1.375 -7.232) 7.361 4.277 ( 0.000 -5.820 3.407) 6.744 4.334 ( 0.000 11.012 0.515) 11.024 4.436 ( 0.000 9.623 -1.530) 9.744 4.563 ( 0.000 -1.000 -3.912) 4.038 4.611 ( 0.000 -2.917 -1.819) 3.438 4.648 ( 0.000 5.315 6.719) 8.567 4.696 ( 0.000 2.752 5.978) 6.581 4.752 ( 0.000 -0.716 3.175) 3.255 4.891 ( 0.000 -4.910 -5.940) 7.707 4.920 ( 0.000 1.770 9.056) 9.227 4.964 ( 0.000 -1.326 5.176) 5.343 5.051 ( 0.000 -6.268 12.559) 14.036 5.065 ( 0.000 -0.686 7.519) 7.551 5.107 ( 0.000 -5.408 9.040) 10.534 5.122 ( 0.000 9.306 -1.305) 9.397 5.169 ( 0.000 -7.353 -3.732) 8.246 5.235 ( 0.000 5.300 -8.804) 10.276 5.326 ( 0.000 2.054 -5.996) 6.338 5.377 ( 0.000 -1.567 -6.539) 6.724 5.423 ( 0.000 -1.058 -1.758) 2.051 5.454 ( 0.000 -4.236 -1.580) 4.522 5.498 ( 0.000 2.716 -0.378) 2.742 5.576 ( 0.000 3.057 -7.820) 8.397 5.608 ( 0.000 -4.012 1.472) 4.273 5.677 ( 0.000 -0.825 -4.045) 4.128 5.684 ( 0.000 1.777 5.990) 6.248 5.748 ( 0.000 5.059 1.281) 5.219 5.781 ( 0.000 4.646 -3.449) 5.786 5.847 ( 0.000 0.682 -1.598) 1.737 5.885 ( 0.000 -0.088 -12.390) 12.390 5.907 ( 0.000 0.577 -7.986) 8.007 5.999 ( 0.000 -4.400 0.744) 4.462 6.026 ( 0.000 -4.885 -1.824) 5.215 7.093 ( 0.000 1.380 4.816) 5.010 7.097 ( 0.000 2.537 9.372) 9.710 7.203 ( 0.000 3.704 -5.221) 6.401 7.252 ( 0.000 4.047 3.086) 5.090 7.337 ( 0.000 -2.770 -8.013) 8.478 7.406 ( 0.000 -2.683 2.632) 3.759 7.460 ( 0.000 1.067 -10.839) 10.891 7.506 ( 0.000 -0.352 -6.259) 6.269 8.282 ( 0.000 1.464 2.625) 3.006 8.301 ( 0.000 0.560 1.503) 1.604 8.331 ( 0.000 -0.994 -2.143) 2.362 8.341 ( 0.000 -1.307 -2.572) 2.885 8.816 ( 0.000 0.190 9.558) 9.559 8.822 ( 0.000 -0.158 8.257) 8.258 8.943 ( 0.000 2.717 -2.631) 3.783 9.013 ( 0.000 -0.843 -9.698) 9.734 9.167 ( 0.000 0.956 2.627) 2.795 9.202 ( 0.000 1.979 -1.233) 2.332 9.239 ( 0.000 -2.279 1.827) 2.921 9.284 ( 0.000 -2.014 -3.016) 3.626 10.288 ( 0.000 8.453 5.055) 9.849 10.353 ( 0.000 8.969 -1.533) 9.099 10.396 ( 0.000 3.217 5.455) 6.333 10.480 ( 0.000 3.357 1.361) 3.623 10.517 ( 0.000 1.451 1.012) 1.769 10.583 ( 0.000 -2.470 4.450) 5.090 10.599 ( 0.000 1.926 -3.168) 3.708 10.675 ( 0.000 -0.756 -3.099) 3.190 10.757 ( 0.000 -3.545 0.314) 3.559 10.795 ( 0.000 -2.600 -1.684) 3.098 10.856 ( 0.000 -7.218 1.551) 7.383 10.858 ( 0.000 -4.576 1.163) 4.721 11.059 ( 0.000 1.816 7.373) 7.594 11.185 ( 0.000 -5.181 6.157) 8.047 11.222 ( 0.000 5.448 -8.323) 9.948 11.335 ( 0.000 -2.917 -7.160) 7.731 11.486 ( 0.000 1.138 1.095) 1.579 11.522 ( 0.000 2.971 -2.430) 3.839 11.648 ( 0.000 -6.053 1.823) 6.322 11.684 ( 0.000 -4.952 -1.837) 5.281 13.116 ( 0.000 1.962 2.639) 3.288 13.167 ( 0.000 2.101 -2.474) 3.246 13.200 ( 0.000 -2.073 2.867) 3.538 13.248 ( 0.000 -1.780 -1.904) 2.606 13.607 ( 0.000 9.675 3.511) 10.292 13.639 ( 0.000 7.853 1.138) 7.935 13.659 ( 0.000 6.638 -0.859) 6.694 13.678 ( 0.000 9.597 -3.477) 10.207 13.885 ( 0.000 -3.541 4.081) 5.403 13.967 ( 0.000 -6.421 1.030) 6.503 13.974 ( 0.000 -3.625 0.377) 3.645 13.984 ( 0.000 -7.563 -5.492) 9.346 14.360 ( 0.000 -0.810 5.601) 5.659 14.417 ( 0.000 -3.052 5.849) 6.597 14.446 ( 0.000 -3.103 -2.494) 3.981 14.535 ( 0.000 -6.704 -5.354) 8.580 14.855 ( 0.000 2.535 5.861) 6.386 14.974 ( 0.000 -1.784 1.664) 2.439 14.996 ( 0.000 0.671 -7.514) 7.544 15.058 ( 0.000 -2.433 -5.973) 6.450 15.194 ( 0.000 5.183 6.673) 8.450 15.337 ( 0.000 -2.812 5.606) 6.272 15.358 ( 0.000 5.515 -9.114) 10.653 15.487 ( 0.000 -1.224 -8.943) 9.026 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 9.999 0.004 2.557) 10.320 1.918 ( 9.304 2.362 -3.516) 10.223 2.252 ( -1.967 -18.448 3.973) 18.973 2.328 ( -5.201 -15.479 -3.354) 16.670 2.597 ( 0.255 -2.757 5.536) 6.190 2.662 ( 0.131 -2.766 2.369) 3.645 2.777 ( -1.507 -6.890 -0.940) 7.115 2.790 ( -0.332 -4.281 -0.603) 4.336 2.943 ( 4.011 8.606 7.202) 11.918 3.063 ( 5.231 8.153 -4.070) 10.507 3.215 ( 2.465 5.247 12.718) 13.977 3.397 ( -4.475 -4.037 7.193) 9.384 3.432 ( -4.959 -1.404 5.595) 7.607 3.509 ( -4.422 2.436 -4.660) 6.870 3.557 ( -2.266 -2.190 -4.782) 5.727 3.675 ( 0.566 -2.071 0.388) 2.182 3.742 ( -4.143 -3.491 0.754) 5.470 3.918 ( -4.565 1.740 -3.015) 5.740 3.982 ( -6.929 -2.773 4.639) 8.787 4.015 ( -5.600 -0.697 1.400) 5.814 4.157 ( 1.328 0.285 6.181) 6.328 4.297 ( 6.353 6.463 5.006) 10.354 4.331 ( 5.659 5.163 3.923) 8.607 4.417 ( 2.616 0.807 3.558) 4.489 4.472 ( -2.562 0.244 -2.742) 3.761 4.501 ( 5.719 0.875 0.426) 5.801 4.527 ( 6.456 2.012 0.600) 6.788 4.626 ( 4.598 2.000 -2.692) 5.691 4.690 ( 4.447 1.880 3.409) 5.910 4.745 ( 0.042 1.658 6.685) 6.888 4.793 ( 4.445 -1.645 0.232) 4.745 4.850 ( 1.759 0.336 7.806) 8.009 4.931 ( -1.970 3.383 9.128) 9.932 4.976 ( -5.015 1.740 11.349) 12.529 5.005 ( -1.114 -4.869 -0.830) 5.063 5.033 ( -1.882 -2.203 6.607) 7.214 5.099 ( -0.297 1.817 -0.058) 1.842 5.125 ( 0.079 -3.641 -0.259) 3.651 5.160 ( -0.288 -5.118 -0.357) 5.139 5.250 ( -0.076 4.770 -6.745) 8.261 5.287 ( -3.641 0.071 3.323) 4.930 5.330 ( -2.022 0.904 -11.721) 11.928 5.394 ( -3.578 -1.038 -6.579) 7.560 5.408 ( -2.720 0.362 -0.837) 2.869 5.474 ( -0.968 -0.755 -4.185) 4.361 5.518 ( -2.489 -1.963 1.595) 3.548 5.591 ( -2.278 4.073 -1.314) 4.848 5.624 ( -2.957 1.713 -6.765) 7.579 5.694 ( 1.744 -2.003 4.333) 5.082 5.763 ( -0.484 0.091 -0.249) 0.551 5.809 ( 2.670 3.375 -3.641) 5.637 5.864 ( 0.331 -2.312 -6.419) 6.831 5.916 ( 2.773 1.501 -5.672) 6.490 5.948 ( 2.787 0.129 -5.831) 6.464 6.000 ( -0.292 -2.384 0.057) 2.402 6.033 ( 0.000 -1.659 -2.353) 2.879 7.066 ( 0.032 0.060 4.928) 4.928 7.107 ( -0.754 3.101 6.300) 7.062 7.209 ( 0.799 0.853 -4.920) 5.057 7.300 ( 2.143 0.512 5.470) 5.897 7.315 ( -1.655 0.617 -8.958) 9.131 7.376 ( -1.552 -0.874 2.607) 3.157 7.476 ( 1.924 -0.331 -8.142) 8.373 7.529 ( 0.734 1.209 -8.092) 8.214 8.279 ( 0.792 0.380 1.159) 1.454 8.290 ( 0.883 0.304 0.139) 0.944 8.356 ( 0.506 -0.108 0.756) 0.916 8.378 ( 0.578 0.094 -1.282) 1.410 8.773 ( -0.735 -0.366 7.559) 7.604 8.835 ( -0.815 0.208 7.285) 7.333 8.907 ( -1.662 1.366 -3.817) 4.381 8.988 ( -2.319 -0.414 -7.875) 8.220 9.176 ( 0.797 0.802 3.076) 3.277 9.214 ( 1.126 0.605 -0.401) 1.340 9.234 ( -0.996 -1.446 0.989) 2.015 9.277 ( -0.590 -0.470 -2.131) 2.260 10.297 ( 1.425 5.545 3.964) 6.964 10.338 ( 0.088 5.620 -0.161) 5.623 10.425 ( -0.010 2.142 5.107) 5.538 10.467 ( -1.684 2.120 4.527) 5.275 10.492 ( -2.598 1.678 1.110) 3.286 10.572 ( 2.606 4.665 -4.724) 7.132 10.588 ( -1.512 -2.660 4.188) 5.186 10.686 ( 0.089 -1.766 -4.817) 5.132 10.751 ( 0.103 -1.123 3.724) 3.891 10.809 ( 0.332 -3.122 -0.009) 3.140 10.844 ( -0.341 -0.249 -0.667) 0.789 10.872 ( 0.511 -3.418 -1.971) 3.979 11.132 ( 5.423 0.416 5.177) 7.509 11.210 ( 2.775 -1.749 2.739) 4.273 11.279 ( 3.207 2.054 -2.979) 4.834 11.355 ( 1.067 -2.346 -5.718) 6.272 11.461 ( -1.506 -0.280 1.934) 2.467 11.515 ( 0.134 0.942 -3.335) 3.468 11.611 ( -3.312 -5.959 1.067) 6.901 11.643 ( -3.289 -4.568 -1.920) 5.947 13.134 ( 1.573 1.330 2.173) 2.994 13.173 ( 0.458 1.367 -1.550) 2.117 13.198 ( -0.201 -1.485 1.910) 2.428 13.230 ( -1.541 -1.275 -1.249) 2.357 13.600 ( -0.386 8.960 3.157) 9.508 13.624 ( -1.130 7.723 1.430) 7.935 13.651 ( -0.486 6.836 -1.281) 6.972 13.664 ( -0.937 8.669 -2.972) 9.212 13.902 ( 1.387 -3.315 3.839) 5.259 13.964 ( -0.724 -4.491 1.464) 4.779 13.985 ( 1.018 -4.946 -0.394) 5.065 13.992 ( 0.516 -6.834 -4.628) 8.270 14.397 ( 3.210 -1.186 5.337) 6.340 14.444 ( 2.143 -2.819 3.058) 4.679 14.497 ( 3.809 -3.690 -1.858) 5.620 14.548 ( 0.891 -6.472 -4.485) 7.924 14.798 ( -3.991 2.090 7.989) 9.171 14.892 ( -6.352 -1.136 4.940) 8.127 14.967 ( -1.526 0.967 -7.705) 7.914 15.021 ( -2.328 0.060 -7.002) 7.379 15.268 ( 4.199 2.409 2.019) 5.245 15.336 ( 0.239 -0.155 2.416) 2.433 15.369 ( 0.905 2.388 -5.056) 5.664 15.472 ( -1.535 -0.421 -8.102) 8.256 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -7.089 -6.922 2.648) 10.256 2.096 ( 7.089 -6.922 2.648) 10.256 2.161 ( -5.743 -6.524 -3.605) 9.409 2.161 ( 5.743 -6.524 -3.605) 9.409 2.645 ( -3.059 -8.854 6.338) 11.310 2.645 ( 3.059 -8.854 6.338) 11.310 2.747 ( -2.241 -4.348 -3.234) 5.864 2.747 ( 2.241 -4.348 -3.234) 5.864 3.144 ( -12.327 6.674 7.774) 16.029 3.144 ( 12.327 6.674 7.774) 16.029 3.259 ( -8.291 2.107 1.817) 8.746 3.259 ( 8.291 2.107 1.817) 8.746 3.333 ( -6.336 2.068 8.357) 10.690 3.333 ( 6.336 2.068 8.357) 10.690 3.611 ( -4.607 2.944 -12.553) 13.692 3.611 ( 4.607 2.944 -12.553) 13.692 3.820 ( -7.239 -5.596 8.974) 12.816 3.820 ( 7.239 -5.596 8.974) 12.816 3.921 ( -2.998 0.114 0.528) 3.046 3.921 ( 2.998 0.114 0.528) 3.046 4.260 ( -7.143 -2.920 1.817) 7.928 4.260 ( 7.143 -2.920 1.817) 7.928 4.357 ( -2.855 2.694 -4.783) 6.187 4.357 ( 2.855 2.694 -4.783) 6.187 4.605 ( -4.238 3.280 10.556) 11.838 4.605 ( 4.238 3.280 10.556) 11.838 4.658 ( -5.002 2.659 4.187) 7.044 4.658 ( 5.002 2.659 4.187) 7.044 4.759 ( -4.478 2.890 0.796) 5.388 4.759 ( 4.478 2.890 0.796) 5.388 4.822 ( -3.632 2.397 4.849) 6.515 4.822 ( 3.632 2.397 4.849) 6.515 4.939 ( -2.065 0.147 9.631) 9.851 4.939 ( 2.065 0.147 9.631) 9.851 4.988 ( -4.125 -2.472 0.807) 4.876 4.988 ( 4.125 -2.472 0.807) 4.876 5.099 ( -1.177 -4.883 -2.625) 5.668 5.099 ( 1.177 -4.883 -2.625) 5.668 5.171 ( -3.034 1.143 2.432) 4.053 5.171 ( 3.034 1.143 2.432) 4.053 5.281 ( -3.434 1.954 -2.960) 4.937 5.281 ( 3.434 1.954 -2.960) 4.937 5.366 ( -1.780 1.456 -10.232) 10.487 5.366 ( 1.780 1.456 -10.232) 10.487 5.474 ( -1.264 -2.799 0.301) 3.086 5.474 ( 1.264 -2.799 0.301) 3.086 5.574 ( -0.953 2.265 -4.571) 5.190 5.574 ( 0.953 2.265 -4.571) 5.190 5.740 ( -1.727 -0.923 1.501) 2.467 5.740 ( 1.727 -0.923 1.501) 2.467 5.853 ( -1.204 -0.588 -5.941) 6.090 5.853 ( 1.204 -0.588 -5.941) 6.090 5.975 ( -1.988 -0.380 -1.965) 2.821 5.975 ( 1.988 -0.380 -1.965) 2.821 6.007 ( -2.184 0.747 -3.580) 4.260 6.007 ( 2.184 0.747 -3.580) 4.260 7.086 ( -1.238 0.288 5.991) 6.125 7.086 ( 1.238 0.288 5.991) 6.125 7.240 ( -3.008 -0.191 -9.283) 9.760 7.240 ( 3.008 -0.191 -9.283) 9.760 7.354 ( -1.732 0.035 6.890) 7.105 7.354 ( 1.732 0.035 6.890) 7.105 7.520 ( -1.494 1.577 -9.155) 9.409 7.520 ( 1.494 1.577 -9.155) 9.409 8.326 ( -2.710 0.270 1.164) 2.961 8.326 ( 2.710 0.270 1.164) 2.961 8.341 ( -2.970 0.472 -0.025) 3.007 8.341 ( 2.970 0.472 -0.025) 3.007 8.797 ( -2.039 0.036 5.768) 6.118 8.797 ( 2.039 0.036 5.768) 6.118 8.921 ( -2.789 -0.115 -5.155) 5.862 8.921 ( 2.789 -0.115 -5.155) 5.862 9.202 ( -1.412 -0.177 2.351) 2.748 9.202 ( 1.412 -0.177 2.351) 2.748 9.250 ( -1.725 0.270 -1.198) 2.117 9.250 ( 1.725 0.270 -1.198) 2.117 10.360 ( -3.558 2.622 2.962) 5.320 10.360 ( 3.558 2.622 2.962) 5.320 10.380 ( -3.602 2.327 0.766) 4.356 10.380 ( 3.602 2.327 0.766) 4.356 10.531 ( -3.033 0.551 6.226) 6.947 10.531 ( 3.033 0.551 6.226) 6.947 10.650 ( -3.017 1.688 -4.796) 5.912 10.650 ( 3.017 1.688 -4.796) 5.912 10.780 ( -1.971 -2.424 3.589) 4.759 10.780 ( 1.971 -2.424 3.589) 4.759 10.863 ( -1.113 0.900 -3.973) 4.223 10.863 ( 1.113 0.900 -3.973) 4.223 11.245 ( -3.089 -0.657 3.725) 4.884 11.245 ( 3.089 -0.657 3.725) 4.884 11.323 ( -3.317 2.249 -2.701) 4.833 11.323 ( 3.317 2.249 -2.701) 4.833 11.507 ( -5.212 -5.399 0.917) 7.561 11.507 ( 5.212 -5.399 0.917) 7.561 11.560 ( -3.549 -3.103 -3.278) 5.742 11.560 ( 3.549 -3.103 -3.278) 5.742 13.176 ( -1.367 -0.224 1.180) 1.819 13.176 ( 1.367 -0.224 1.180) 1.819 13.193 ( -0.539 0.076 -0.455) 0.709 13.193 ( 0.539 0.076 -0.455) 0.709 13.601 ( -0.610 7.933 2.327) 8.290 13.601 ( 0.610 7.933 2.327) 8.290 13.648 ( -0.315 7.538 -2.189) 7.856 13.648 ( 0.315 7.538 -2.189) 7.856 13.937 ( -1.535 -3.452 3.066) 4.866 13.937 ( 1.535 -3.452 3.066) 4.866 13.999 ( -0.087 -5.770 -2.799) 6.413 13.999 ( 0.087 -5.770 -2.799) 6.413 14.468 ( -1.446 -2.252 3.812) 4.657 14.468 ( 1.446 -2.252 3.812) 4.657 14.559 ( -0.552 -5.086 -4.945) 7.115 14.559 ( 0.552 -5.086 -4.945) 7.115 14.764 ( -3.038 0.410 10.522) 10.959 14.764 ( 3.038 0.410 10.522) 10.959 14.966 ( -1.651 1.348 -9.403) 9.642 14.966 ( 1.651 1.348 -9.403) 9.642 15.330 ( -1.284 0.616 2.140) 2.570 15.330 ( 1.284 0.616 2.140) 2.570 15.417 ( -3.058 1.035 -6.455) 7.218 15.417 ( 3.058 1.035 -6.455) 7.218 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 -14.589 5.165) 15.477 1.891 ( 0.000 14.589 5.165) 15.477 2.007 ( 0.000 -15.908 -5.354) 16.785 2.007 ( 0.000 15.908 -5.354) 16.785 2.672 ( 0.000 -4.199 3.464) 5.444 2.672 ( 0.000 4.199 3.464) 5.444 2.716 ( 0.000 -2.561 -0.146) 2.565 2.716 ( 0.000 2.561 -0.146) 2.565 3.163 ( 0.000 -14.317 5.993) 15.520 3.163 ( 0.000 14.317 5.993) 15.520 3.278 ( 0.000 -13.661 -4.948) 14.529 3.278 ( 0.000 13.661 -4.948) 14.529 3.331 ( 0.000 -7.598 14.547) 16.411 3.331 ( 0.000 7.598 14.547) 16.411 3.633 ( 0.000 -7.203 -13.788) 15.556 3.633 ( 0.000 7.203 -13.788) 15.556 3.993 ( 0.000 -2.139 11.197) 11.400 3.993 ( 0.000 2.139 11.197) 11.400 4.133 ( 0.000 -6.554 11.330) 13.089 4.133 ( 0.000 6.554 11.330) 13.089 4.186 ( 0.000 -0.972 2.993) 3.147 4.186 ( 0.000 0.972 2.993) 3.147 4.229 ( 0.000 -0.776 -6.033) 6.083 4.229 ( 0.000 0.776 -6.033) 6.083 4.506 ( 0.000 -7.356 0.900) 7.411 4.506 ( 0.000 7.356 0.900) 7.411 4.546 ( 0.000 -2.250 -4.296) 4.849 4.546 ( 0.000 2.250 -4.296) 4.849 4.707 ( 0.000 -4.720 4.158) 6.291 4.707 ( 0.000 4.720 4.158) 6.291 4.825 ( 0.000 -1.270 -6.050) 6.182 4.825 ( 0.000 1.270 -6.050) 6.182 4.920 ( 0.000 -6.801 9.897) 12.008 4.920 ( 0.000 6.801 9.897) 12.008 5.021 ( 0.000 -3.026 18.305) 18.553 5.021 ( 0.000 3.026 18.305) 18.553 5.063 ( 0.000 -2.795 -4.816) 5.568 5.063 ( 0.000 2.795 -4.816) 5.568 5.283 ( 0.000 -7.350 1.105) 7.433 5.283 ( 0.000 7.350 1.105) 7.433 5.355 ( 0.000 -5.628 -2.621) 6.209 5.355 ( 0.000 5.628 -2.621) 6.209 5.397 ( 0.000 -4.096 -13.367) 13.981 5.397 ( 0.000 4.096 -13.367) 13.981 5.531 ( 0.000 -2.084 2.643) 3.366 5.531 ( 0.000 2.084 2.643) 3.366 5.636 ( 0.000 -2.817 -5.469) 6.152 5.636 ( 0.000 2.817 -5.469) 6.152 5.750 ( 0.000 -3.035 3.965) 4.993 5.750 ( 0.000 3.035 3.965) 4.993 5.875 ( 0.000 -2.598 -7.424) 7.865 5.875 ( 0.000 2.598 -7.424) 7.865 5.908 ( 0.000 -4.698 -1.222) 4.855 5.908 ( 0.000 4.698 -1.222) 4.855 5.930 ( 0.000 -3.490 -3.646) 5.047 5.930 ( 0.000 3.490 -3.646) 5.047 7.114 ( 0.000 -0.168 7.153) 7.155 7.114 ( 0.000 0.168 7.153) 7.155 7.273 ( 0.000 -3.523 -4.937) 6.065 7.273 ( 0.000 3.523 -4.937) 6.065 7.337 ( 0.000 -4.458 1.854) 4.828 7.337 ( 0.000 4.458 1.854) 4.828 7.488 ( 0.000 -1.070 -9.017) 9.080 7.488 ( 0.000 1.070 -9.017) 9.080 8.311 ( 0.000 -0.424 0.219) 0.477 8.311 ( 0.000 0.424 0.219) 0.477 8.316 ( 0.000 -0.010 -0.540) 0.541 8.316 ( 0.000 0.010 -0.540) 0.541 8.819 ( 0.000 -0.020 9.188) 9.188 8.819 ( 0.000 0.020 9.188) 9.188 8.987 ( 0.000 -1.735 -6.550) 6.776 8.987 ( 0.000 1.735 -6.550) 6.776 9.196 ( 0.000 -2.061 2.428) 3.185 9.196 ( 0.000 2.061 2.428) 3.185 9.243 ( 0.000 -2.207 -2.322) 3.204 9.243 ( 0.000 2.207 -2.322) 3.204 10.420 ( 0.000 -2.894 5.777) 6.462 10.420 ( 0.000 2.894 5.777) 6.462 10.490 ( 0.000 -4.293 0.119) 4.294 10.490 ( 0.000 4.293 0.119) 4.294 10.530 ( 0.000 -2.414 4.530) 5.133 10.530 ( 0.000 2.414 4.530) 5.133 10.643 ( 0.000 -2.450 -5.607) 6.119 10.643 ( 0.000 2.450 -5.607) 6.119 10.745 ( 0.000 -3.057 2.329) 3.843 10.745 ( 0.000 3.057 2.329) 3.843 10.783 ( 0.000 -1.758 -1.769) 2.494 10.783 ( 0.000 1.758 -1.769) 2.494 11.104 ( 0.000 -3.315 8.442) 9.069 11.104 ( 0.000 3.315 8.442) 9.069 11.293 ( 0.000 -2.339 -9.480) 9.764 11.293 ( 0.000 2.339 -9.480) 9.764 11.541 ( 0.000 -4.839 2.602) 5.494 11.541 ( 0.000 4.839 2.602) 5.494 11.593 ( 0.000 -4.535 -2.793) 5.326 11.593 ( 0.000 4.535 -2.793) 5.326 13.157 ( 0.000 -2.365 2.838) 3.694 13.157 ( 0.000 2.365 2.838) 3.694 13.209 ( 0.000 -2.280 -2.288) 3.230 13.209 ( 0.000 2.280 -2.288) 3.230 13.770 ( 0.000 -1.304 1.998) 2.386 13.770 ( 0.000 1.304 1.998) 2.386 13.786 ( 0.000 -2.757 -0.257) 2.769 13.786 ( 0.000 2.757 -0.257) 2.769 13.819 ( 0.000 -2.748 2.419) 3.661 13.819 ( 0.000 2.748 2.419) 3.661 13.883 ( 0.000 -3.799 -3.241) 4.994 13.883 ( 0.000 3.799 -3.241) 4.994 14.375 ( 0.000 -1.507 3.775) 4.064 14.375 ( 0.000 1.507 3.775) 4.064 14.437 ( 0.000 -2.858 -2.403) 3.734 14.437 ( 0.000 2.858 -2.403) 3.734 14.919 ( 0.000 -3.774 2.499) 4.526 14.919 ( 0.000 3.774 2.499) 4.526 15.018 ( 0.000 -1.552 -6.612) 6.792 15.018 ( 0.000 1.552 -6.612) 6.792 15.277 ( 0.000 -3.743 6.884) 7.835 15.277 ( 0.000 3.743 6.884) 7.835 15.443 ( 0.000 -3.438 -9.309) 9.923 15.443 ( 0.000 3.438 -9.309) 9.923 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.116 0.000 4.540) 6.128 2.009 ( 5.308 -0.000 3.352) 6.278 2.019 ( 3.296 0.000 -6.691) 7.459 2.078 ( 2.376 -0.000 -2.821) 3.688 2.602 ( -3.351 0.000 6.150) 7.004 2.629 ( -4.177 -0.000 6.524) 7.747 2.686 ( -1.015 0.000 -1.216) 1.584 2.761 ( -0.121 0.000 -6.919) 6.920 3.069 ( 1.095 0.000 5.847) 5.949 3.175 ( 0.942 -0.000 -4.408) 4.508 3.307 ( -0.031 0.000 13.361) 13.361 3.317 ( -0.342 -0.000 17.142) 17.145 3.357 ( 3.736 -0.000 7.034) 7.965 3.451 ( 3.597 0.000 -4.295) 5.602 3.631 ( 0.086 -0.000 -14.341) 14.341 3.642 ( 0.342 0.000 -13.307) 13.312 3.715 ( -9.389 0.000 12.942) 15.990 3.909 ( -6.907 -0.000 12.607) 14.375 3.962 ( -7.629 0.000 -9.298) 12.027 4.007 ( -5.676 0.000 4.809) 7.439 4.156 ( -0.674 0.000 12.808) 12.826 4.371 ( 7.863 -0.000 4.363) 8.993 4.403 ( 6.483 -0.000 -3.957) 7.596 4.432 ( -5.163 0.000 -4.380) 6.771 4.472 ( -1.236 0.000 0.343) 1.283 4.492 ( 0.643 0.000 0.906) 1.111 4.570 ( 11.617 -0.000 -3.199) 12.049 4.582 ( 7.516 0.000 -1.170) 7.607 4.740 ( 1.046 -0.000 12.464) 12.508 4.749 ( 3.879 0.000 2.404) 4.563 4.779 ( 2.454 0.000 0.248) 2.466 4.916 ( 0.845 -0.000 11.994) 12.024 4.929 ( -1.404 0.000 6.428) 6.580 4.968 ( 1.537 -0.000 -7.852) 8.001 4.998 ( -1.173 0.000 14.192) 14.241 5.020 ( -1.501 0.000 7.244) 7.398 5.028 ( 0.215 0.000 7.212) 7.216 5.080 ( -0.119 0.000 -5.886) 5.887 5.179 ( -4.447 0.000 2.320) 5.016 5.263 ( -3.668 0.000 2.009) 4.182 5.330 ( -2.012 0.000 -8.241) 8.483 5.340 ( -0.644 0.000 -13.978) 13.993 5.366 ( -2.186 0.000 -7.615) 7.923 5.420 ( 0.355 -0.000 -10.846) 10.852 5.454 ( -2.344 0.000 11.109) 11.353 5.501 ( -4.448 0.000 0.936) 4.546 5.634 ( -0.266 -0.039 -7.966) 7.970 5.634 ( -2.506 0.039 -4.333) 5.006 5.688 ( -0.167 0.000 8.637) 8.638 5.754 ( -1.476 0.000 -0.033) 1.477 5.830 ( -0.522 0.000 -6.253) 6.275 5.864 ( -0.429 0.000 -6.813) 6.826 5.927 ( 2.779 0.000 -2.598) 3.804 5.945 ( 3.206 0.000 -4.108) 5.211 5.975 ( 1.585 0.000 -0.913) 1.829 6.013 ( 2.312 0.000 -3.254) 3.991 7.067 ( -0.544 0.000 5.057) 5.086 7.145 ( -1.653 0.000 8.096) 8.264 7.212 ( -1.436 0.000 -9.450) 9.558 7.285 ( 1.763 0.000 2.763) 3.278 7.345 ( -2.997 0.000 -5.826) 6.551 7.365 ( 0.913 0.000 7.698) 7.752 7.470 ( 3.069 0.000 -9.695) 10.170 7.541 ( 1.259 0.000 -9.254) 9.339 8.281 ( 0.543 0.000 0.460) 0.712 8.295 ( 0.928 0.000 -0.550) 1.079 8.355 ( 0.957 0.000 1.585) 1.852 8.379 ( 0.983 0.000 -0.722) 1.220 8.770 ( -0.778 0.000 7.715) 7.754 8.837 ( -0.785 0.000 7.652) 7.692 8.921 ( -2.650 0.000 -6.206) 6.748 8.983 ( -2.041 0.000 -5.697) 6.052 9.191 ( 0.385 0.000 1.441) 1.492 9.207 ( -0.039 -0.000 3.359) 3.359 9.226 ( 0.114 0.000 -1.293) 1.298 9.272 ( 0.409 0.000 -2.361) 2.396 10.365 ( -1.223 0.000 4.121) 4.299 10.402 ( -2.245 0.000 0.245) 2.258 10.443 ( -1.454 0.000 5.528) 5.716 10.483 ( -3.032 0.000 2.060) 3.666 10.532 ( 0.316 0.000 6.771) 6.778 10.537 ( -0.645 -0.000 2.885) 2.956 10.631 ( 1.827 0.000 -5.626) 5.915 10.680 ( 0.643 0.000 -7.454) 7.481 10.739 ( 0.131 -0.000 4.322) 4.324 10.748 ( 0.509 0.000 5.702) 5.725 10.827 ( 3.681 0.000 -4.333) 5.685 10.852 ( 2.491 0.000 -4.452) 5.102 11.155 ( 4.516 -0.000 7.841) 9.048 11.156 ( 3.977 0.000 7.466) 8.459 11.319 ( 2.636 -0.000 -7.772) 8.207 11.328 ( 2.242 0.000 -8.559) 8.848 11.489 ( -3.388 0.000 3.683) 5.004 11.509 ( -3.617 -0.000 2.286) 4.279 11.565 ( -2.312 0.000 -3.718) 4.378 11.566 ( -1.916 -0.000 -3.027) 3.583 13.157 ( 0.409 0.000 2.705) 2.735 13.174 ( 0.912 0.000 1.574) 1.819 13.197 ( -0.860 0.000 -0.744) 1.137 13.208 ( -0.354 0.000 -2.306) 2.333 13.736 ( -1.603 0.000 0.999) 1.889 13.736 ( -2.022 -0.000 2.798) 3.452 13.754 ( -1.249 0.000 -0.501) 1.345 13.772 ( -1.487 0.000 -0.980) 1.781 13.834 ( 1.587 0.000 2.515) 2.974 13.861 ( 1.250 -0.000 2.893) 3.151 13.896 ( 1.582 -0.000 -3.204) 3.574 13.917 ( 1.206 0.000 -2.573) 2.841 14.392 ( 2.664 0.000 3.653) 4.521 14.433 ( 2.660 0.000 1.511) 3.059 14.458 ( 2.144 0.000 -2.910) 3.614 14.466 ( 2.330 0.000 -1.594) 2.823 14.844 ( -4.938 -0.000 5.044) 7.059 14.856 ( -5.408 0.000 7.218) 9.019 14.978 ( -1.294 0.000 -7.769) 7.876 15.018 ( -1.491 0.000 -8.017) 8.154 15.303 ( 2.520 0.000 3.088) 3.986 15.319 ( 1.733 0.000 5.173) 5.456 15.407 ( -0.796 0.000 -7.344) 7.387 15.460 ( -0.435 0.000 -8.455) 8.466 ======================= Grid point 159 (60/60) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -4.549 0.000 2.613) 5.247 2.021 ( 4.549 0.000 2.613) 5.247 2.096 ( -1.477 0.000 -4.696) 4.923 2.096 ( 1.477 0.000 -4.696) 4.923 2.555 ( -0.533 0.000 8.704) 8.720 2.555 ( 0.533 0.000 8.704) 8.720 2.706 ( -2.887 0.000 -6.029) 6.684 2.706 ( 2.887 0.000 -6.029) 6.684 3.222 ( -9.984 0.000 6.327) 11.820 3.222 ( 9.984 0.000 6.327) 11.820 3.278 ( -4.762 0.000 6.918) 8.399 3.278 ( 4.762 0.000 6.918) 8.399 3.362 ( -5.941 0.000 5.303) 7.964 3.362 ( 5.941 0.000 5.303) 7.964 3.645 ( -0.066 0.000 -13.161) 13.162 3.645 ( 0.066 0.000 -13.161) 13.162 3.747 ( -7.675 0.000 12.153) 14.373 3.747 ( 7.675 0.000 12.153) 14.373 3.923 ( -1.834 0.000 -0.104) 1.837 3.923 ( 1.834 0.000 -0.104) 1.837 4.212 ( -7.147 0.000 3.104) 7.792 4.212 ( 7.147 0.000 3.104) 7.792 4.397 ( -0.050 0.000 -9.868) 9.869 4.397 ( 0.050 0.000 -9.868) 9.869 4.633 ( -5.017 0.000 12.138) 13.134 4.633 ( 5.017 0.000 12.138) 13.134 4.687 ( -6.457 0.000 3.872) 7.529 4.687 ( 6.457 0.000 3.872) 7.529 4.773 ( -3.155 0.000 3.974) 5.074 4.773 ( 3.155 0.000 3.974) 5.074 4.870 ( -7.846 0.000 -2.236) 8.159 4.870 ( 7.846 -0.000 -2.236) 8.159 4.929 ( -2.437 0.000 3.031) 3.890 4.929 ( 2.437 0.000 3.031) 3.890 4.996 ( -1.598 0.000 16.086) 16.165 4.996 ( 1.598 0.000 16.086) 16.165 5.026 ( -1.839 -0.000 -6.102) 6.373 5.026 ( 1.839 0.000 -6.102) 6.373 5.172 ( -3.629 0.000 3.116) 4.784 5.172 ( 3.629 0.000 3.116) 4.784 5.311 ( -1.182 -0.000 -7.332) 7.427 5.311 ( 1.182 0.000 -7.332) 7.427 5.386 ( -3.800 0.000 -17.563) 17.969 5.386 ( 3.800 0.000 -17.563) 17.969 5.434 ( -0.317 0.000 10.548) 10.553 5.434 ( 0.317 0.000 10.548) 10.553 5.602 ( -0.635 0.000 -3.186) 3.249 5.602 ( 0.635 0.000 -3.186) 3.249 5.723 ( -1.618 0.000 0.579) 1.719 5.723 ( 1.618 0.000 0.579) 1.719 5.848 ( -1.137 0.000 -6.308) 6.410 5.848 ( 1.137 0.000 -6.308) 6.410 5.975 ( -1.374 0.000 -1.629) 2.131 5.975 ( 1.374 0.000 -1.629) 2.131 6.014 ( -2.023 0.000 -3.516) 4.057 6.014 ( 2.023 0.000 -3.516) 4.057 7.089 ( -2.226 0.000 5.560) 5.989 7.089 ( 2.226 0.000 5.560) 5.989 7.238 ( -3.487 0.000 -9.245) 9.881 7.238 ( 3.487 0.000 -9.245) 9.881 7.356 ( -1.819 0.000 7.784) 7.993 7.356 ( 1.819 0.000 7.784) 7.993 7.536 ( -1.789 0.000 -9.711) 9.875 7.536 ( 1.789 0.000 -9.711) 9.875 8.329 ( -2.789 0.000 1.220) 3.045 8.329 ( 2.789 0.000 1.220) 3.045 8.346 ( -2.912 0.000 -0.069) 2.913 8.346 ( 2.912 0.000 -0.069) 2.913 8.798 ( -2.261 0.000 5.697) 6.129 8.798 ( 2.261 0.000 5.697) 6.129 8.920 ( -2.490 0.000 -4.826) 5.430 8.920 ( 2.490 0.000 -4.826) 5.430 9.200 ( -0.399 0.000 2.415) 2.448 9.200 ( 0.399 0.000 2.415) 2.448 9.252 ( -1.696 0.000 -1.471) 2.245 9.252 ( 1.696 0.000 -1.471) 2.245 10.387 ( -2.662 0.000 3.067) 4.061 10.387 ( 2.662 0.000 3.067) 4.061 10.404 ( -2.394 -0.000 1.040) 2.610 10.404 ( 2.394 0.000 1.040) 2.610 10.537 ( -0.018 0.000 6.587) 6.587 10.537 ( 0.018 0.000 6.587) 6.587 10.672 ( -1.322 0.000 -6.543) 6.675 10.672 ( 1.322 0.000 -6.543) 6.675 10.749 ( -0.388 0.000 6.466) 6.477 10.749 ( 0.388 0.000 6.466) 6.477 10.876 ( -0.498 0.000 -5.846) 5.867 10.876 ( 0.498 0.000 -5.846) 5.867 11.231 ( -0.579 0.000 5.767) 5.796 11.231 ( 0.579 0.000 5.767) 5.796 11.373 ( -0.644 0.000 -7.701) 7.728 11.373 ( 0.644 -0.000 -7.701) 7.728 11.427 ( -0.020 0.000 5.483) 5.483 11.427 ( 0.020 -0.000 5.483) 5.483 11.530 ( -0.356 0.000 -4.535) 4.549 11.530 ( 0.356 0.000 -4.535) 4.549 13.174 ( -1.027 0.000 1.305) 1.660 13.174 ( 1.027 0.000 1.305) 1.660 13.194 ( -0.823 0.000 -0.619) 1.030 13.194 ( 0.823 0.000 -0.619) 1.030 13.713 ( -0.105 0.000 1.971) 1.974 13.713 ( 0.105 0.000 1.971) 1.974 13.746 ( -0.526 0.000 -1.167) 1.281 13.746 ( 0.526 0.000 -1.167) 1.281 13.864 ( -0.815 0.000 2.968) 3.078 13.864 ( 0.815 -0.000 2.968) 3.078 13.924 ( -0.602 -0.000 -2.751) 2.816 13.924 ( 0.602 0.000 -2.751) 2.816 14.449 ( -1.251 0.000 1.840) 2.225 14.449 ( 1.251 0.000 1.840) 2.225 14.508 ( -0.672 0.000 -4.480) 4.530 14.508 ( 0.672 0.000 -4.480) 4.530 14.766 ( -0.089 0.000 11.252) 11.252 14.766 ( 0.089 0.000 11.252) 11.252 14.977 ( -1.322 0.000 -9.668) 9.758 14.977 ( 1.322 0.000 -9.668) 9.758 15.337 ( -0.177 0.000 2.327) 2.334 15.337 ( 0.177 0.000 2.327) 2.334 15.427 ( -2.059 0.000 -6.506) 6.824 15.427 ( 2.059 0.000 -6.506) 6.824 =================== 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 3/25920 10.0 1422.044 2340.762 2421.630 0.000 0.000 0.000 3/25920 20.0 340.834 265.551 422.236 0.000 0.000 0.000 3/25920 30.0 127.142 87.440 161.478 0.000 0.000 0.000 3/25920 40.0 66.697 46.135 86.354 0.000 0.000 0.000 3/25920 50.0 42.909 30.270 56.214 0.000 0.000 0.000 3/25920 60.0 31.015 22.237 40.976 0.000 0.000 0.000 3/25920 70.0 24.051 17.451 31.997 0.000 0.000 0.000 3/25920 80.0 19.528 14.292 26.133 0.000 0.000 0.000 3/25920 90.0 16.373 12.060 22.024 0.000 0.000 0.000 3/25920 100.0 14.059 10.406 18.995 0.000 0.000 0.000 3/25920 110.0 12.298 9.134 16.677 0.000 0.000 0.000 3/25920 120.0 10.917 8.131 14.851 0.000 0.000 0.000 3/25920 130.0 9.808 7.321 13.379 0.000 0.000 0.000 3/25920 140.0 8.901 6.655 12.170 0.000 0.000 0.000 3/25920 150.0 8.146 6.099 11.160 0.000 0.000 0.000 3/25920 160.0 7.508 5.629 10.305 0.000 0.000 0.000 3/25920 170.0 6.964 5.226 9.572 0.000 0.000 0.000 3/25920 180.0 6.494 4.877 8.938 0.000 0.000 0.000 3/25920 190.0 6.084 4.572 8.383 0.000 0.000 0.000 3/25920 200.0 5.724 4.304 7.895 0.000 0.000 0.000 3/25920 210.0 5.404 4.066 7.461 0.000 0.000 0.000 3/25920 220.0 5.119 3.854 7.074 0.000 0.000 0.000 3/25920 230.0 4.864 3.663 6.726 0.000 0.000 0.000 3/25920 240.0 4.633 3.491 6.411 0.000 0.000 0.000 3/25920 250.0 4.423 3.334 6.125 0.000 0.000 0.000 3/25920 260.0 4.233 3.192 5.864 0.000 0.000 0.000 3/25920 270.0 4.058 3.061 5.625 0.000 0.000 0.000 3/25920 280.0 3.898 2.941 5.406 0.000 0.000 0.000 3/25920 290.0 3.750 2.830 5.203 0.000 0.000 0.000 3/25920 300.0 3.613 2.727 5.015 0.000 0.000 0.000 3/25920 310.0 3.486 2.632 4.841 0.000 0.000 0.000 3/25920 320.0 3.368 2.544 4.678 0.000 0.000 0.000 3/25920 330.0 3.258 2.461 4.527 0.000 0.000 0.000 3/25920 340.0 3.155 2.384 4.385 0.000 0.000 0.000 3/25920 350.0 3.058 2.311 4.252 0.000 0.000 0.000 3/25920 360.0 2.968 2.243 4.127 0.000 0.000 0.000 3/25920 370.0 2.882 2.179 4.009 0.000 0.000 0.000 3/25920 380.0 2.802 2.118 3.898 0.000 0.000 0.000 3/25920 390.0 2.726 2.061 3.793 0.000 0.000 0.000 3/25920 400.0 2.654 2.007 3.694 0.000 0.000 0.000 3/25920 410.0 2.586 1.956 3.600 0.000 0.000 0.000 3/25920 420.0 2.521 1.907 3.510 0.000 0.000 0.000 3/25920 430.0 2.460 1.861 3.425 0.000 0.000 0.000 3/25920 440.0 2.401 1.817 3.344 0.000 0.000 0.000 3/25920 450.0 2.345 1.775 3.267 0.000 0.000 0.000 3/25920 460.0 2.292 1.735 3.194 0.000 0.000 0.000 3/25920 470.0 2.242 1.696 3.123 0.000 0.000 0.000 3/25920 480.0 2.193 1.660 3.056 0.000 0.000 0.000 3/25920 490.0 2.147 1.625 2.992 0.000 0.000 0.000 3/25920 500.0 2.102 1.591 2.930 0.000 0.000 0.000 3/25920 510.0 2.060 1.559 2.871 0.000 0.000 0.000 3/25920 520.0 2.019 1.528 2.814 0.000 0.000 0.000 3/25920 530.0 1.979 1.499 2.760 0.000 0.000 0.000 3/25920 540.0 1.942 1.470 2.707 0.000 0.000 0.000 3/25920 550.0 1.905 1.443 2.657 0.000 0.000 0.000 3/25920 560.0 1.870 1.416 2.608 0.000 0.000 0.000 3/25920 570.0 1.837 1.391 2.561 0.000 0.000 0.000 3/25920 580.0 1.804 1.366 2.516 0.000 0.000 0.000 3/25920 590.0 1.773 1.343 2.473 0.000 0.000 0.000 3/25920 600.0 1.742 1.320 2.431 0.000 0.000 0.000 3/25920 610.0 1.713 1.298 2.390 0.000 0.000 0.000 3/25920 620.0 1.685 1.276 2.351 0.000 0.000 0.000 3/25920 630.0 1.658 1.256 2.313 0.000 0.000 0.000 3/25920 640.0 1.631 1.236 2.276 0.000 0.000 0.000 3/25920 650.0 1.605 1.216 2.240 0.000 0.000 0.000 3/25920 660.0 1.581 1.198 2.206 0.000 0.000 0.000 3/25920 670.0 1.557 1.179 2.172 0.000 0.000 0.000 3/25920 680.0 1.533 1.162 2.140 0.000 0.000 0.000 3/25920 690.0 1.511 1.145 2.108 0.000 0.000 0.000 3/25920 700.0 1.489 1.128 2.078 0.000 0.000 0.000 3/25920 710.0 1.467 1.112 2.048 0.000 0.000 0.000 3/25920 720.0 1.447 1.096 2.019 0.000 0.000 0.000 3/25920 730.0 1.426 1.081 1.991 0.000 0.000 0.000 3/25920 740.0 1.407 1.066 1.964 0.000 0.000 0.000 3/25920 750.0 1.388 1.052 1.937 0.000 0.000 0.000 3/25920 760.0 1.369 1.038 1.912 0.000 0.000 0.000 3/25920 770.0 1.351 1.024 1.887 0.000 0.000 0.000 3/25920 780.0 1.334 1.011 1.862 0.000 0.000 0.000 3/25920 790.0 1.317 0.998 1.838 0.000 0.000 0.000 3/25920 800.0 1.300 0.985 1.815 0.000 0.000 0.000 3/25920 810.0 1.284 0.973 1.792 0.000 0.000 0.000 3/25920 820.0 1.268 0.961 1.770 0.000 0.000 0.000 3/25920 830.0 1.252 0.949 1.749 0.000 0.000 0.000 3/25920 840.0 1.237 0.938 1.728 0.000 0.000 0.000 3/25920 850.0 1.223 0.927 1.707 0.000 0.000 0.000 3/25920 860.0 1.208 0.916 1.687 0.000 0.000 0.000 3/25920 870.0 1.194 0.905 1.668 0.000 0.000 0.000 3/25920 880.0 1.180 0.895 1.648 0.000 0.000 0.000 3/25920 890.0 1.167 0.885 1.630 0.000 0.000 0.000 3/25920 900.0 1.154 0.875 1.612 0.000 0.000 0.000 3/25920 910.0 1.141 0.865 1.594 0.000 0.000 0.000 3/25920 920.0 1.129 0.855 1.576 0.000 0.000 0.000 3/25920 930.0 1.116 0.846 1.559 0.000 0.000 0.000 3/25920 940.0 1.104 0.837 1.542 0.000 0.000 0.000 3/25920 950.0 1.093 0.828 1.526 0.000 0.000 0.000 3/25920 960.0 1.081 0.820 1.510 0.000 0.000 0.000 3/25920 970.0 1.070 0.811 1.494 0.000 0.000 0.000 3/25920 980.0 1.059 0.803 1.479 0.000 0.000 0.000 3/25920 990.0 1.048 0.795 1.464 0.000 0.000 0.000 3/25920 1000.0 1.037 0.787 1.449 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m469.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:31:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|