----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.535999839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): *1 H 0.13348799757278 0.34000658975259 0.99509015282225 1.008 2 H 0.86651200242722 0.65999341024741 0.00490984717775 1.008 3 H 0.36651200242722 0.84000658975259 0.99509015282225 1.008 4 H 0.86651200242722 0.84000658975259 0.50490984717775 1.008 5 H 0.13348799757278 0.15999341024741 0.49509015282225 1.008 6 H 0.63348799757278 0.15999341024741 0.00490984717775 1.008 7 H 0.36651200242722 0.65999341024741 0.49509015282225 1.008 8 H 0.63348799757278 0.34000658975259 0.50490984717775 1.008 *9 I 0.00396437882237 0.16490530801954 0.65631911393965 126.904 10 I 0.49603562117763 0.83509469198047 0.15631911393965 126.904 11 I 0.50396437882237 0.33509469198046 0.34368088606035 126.904 12 I 0.99603562117763 0.83509469198047 0.34368088606035 126.904 13 I 0.00396437882237 0.33509469198046 0.15631911393965 126.904 14 I 0.99603562117763 0.66490530801953 0.84368088606035 126.904 15 I 0.50396437882237 0.16490530801954 0.84368088606035 126.904 16 I 0.49603562117763 0.66490530801953 0.65631911393965 126.904 *17 O 0.75574110934163 0.49381332403815 0.29086460678110 15.999 18 O 0.25574110934163 0.49381332403815 0.20913539321890 15.999 *19 O 0.15909140947509 0.23705812882997 0.05061698021525 15.999 *20 O 0.84587909801675 0.93020988825375 0.60241031858779 15.999 21 O 0.74425889065837 0.99381332403815 0.29086460678110 15.999 22 O 0.34587909801675 0.93020988825375 0.89758968141221 15.999 23 O 0.84090859052491 0.73705812882997 0.44938301978475 15.999 24 O 0.15412090198325 0.06979011174625 0.39758968141221 15.999 25 O 0.15412090198325 0.43020988825375 0.89758968141221 15.999 26 O 0.24425889065837 0.50618667596185 0.70913539321890 15.999 27 O 0.65412090198325 0.43020988825375 0.60241031858779 15.999 28 O 0.34090859052491 0.76294187117003 0.55061698021525 15.999 29 O 0.75574110934163 0.00618667596185 0.79086460678110 15.999 30 O 0.84090859052491 0.76294187117003 0.94938301978475 15.999 31 O 0.15909140947509 0.26294187117003 0.55061698021525 15.999 32 O 0.25574110934163 0.00618667596185 0.70913539321890 15.999 33 O 0.34090859052491 0.73705812882997 0.05061698021525 15.999 34 O 0.74425889065837 0.50618667596185 0.79086460678110 15.999 35 O 0.34587909801675 0.56979011174625 0.39758968141221 15.999 36 O 0.65909140947509 0.23705812882997 0.44938301978475 15.999 37 O 0.84587909801675 0.56979011174625 0.10241031858779 15.999 38 O 0.65412090198325 0.06979011174625 0.10241031858779 15.999 39 O 0.65909140947509 0.26294187117003 0.94938301978475 15.999 40 O 0.24425889065837 0.99381332403815 0.20913539321890 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.535999839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): *1 H 0.13348799757278 0.34000658975259 0.99509015282225 1.008 > 1 2 H 0.86651200242722 0.65999341024741 0.00490984717775 1.008 > 2 3 H 0.36651200242722 0.84000658975259 0.99509015282225 1.008 > 3 4 H 0.86651200242722 0.84000658975259 0.50490984717775 1.008 > 4 5 H 0.13348799757278 0.15999341024741 0.49509015282225 1.008 > 5 6 H 0.63348799757278 0.15999341024741 0.00490984717775 1.008 > 6 7 H 0.36651200242722 0.65999341024741 0.49509015282225 1.008 > 7 8 H 0.63348799757278 0.34000658975259 0.50490984717775 1.008 > 8 *9 I 0.00396437882237 0.16490530801954 0.65631911393965 126.904 > 9 10 I 0.49603562117763 0.83509469198047 0.15631911393965 126.904 > 10 11 I 0.50396437882237 0.33509469198046 0.34368088606035 126.904 > 11 12 I 0.99603562117763 0.83509469198047 0.34368088606035 126.904 > 12 13 I 0.00396437882237 0.33509469198046 0.15631911393965 126.904 > 13 14 I 0.99603562117763 0.66490530801953 0.84368088606035 126.904 > 14 15 I 0.50396437882237 0.16490530801954 0.84368088606035 126.904 > 15 16 I 0.49603562117763 0.66490530801953 0.65631911393965 126.904 > 16 *17 O 0.75574110934163 0.49381332403815 0.29086460678110 15.999 > 17 18 O 0.25574110934163 0.49381332403815 0.20913539321890 15.999 > 18 *19 O 0.15909140947509 0.23705812882997 0.05061698021525 15.999 > 19 *20 O 0.84587909801675 0.93020988825375 0.60241031858779 15.999 > 20 21 O 0.74425889065837 0.99381332403815 0.29086460678110 15.999 > 21 22 O 0.34587909801675 0.93020988825375 0.89758968141221 15.999 > 22 23 O 0.84090859052491 0.73705812882997 0.44938301978475 15.999 > 23 24 O 0.15412090198325 0.06979011174625 0.39758968141221 15.999 > 24 25 O 0.15412090198325 0.43020988825375 0.89758968141221 15.999 > 25 26 O 0.24425889065837 0.50618667596185 0.70913539321890 15.999 > 26 27 O 0.65412090198325 0.43020988825375 0.60241031858779 15.999 > 27 28 O 0.34090859052491 0.76294187117003 0.55061698021525 15.999 > 28 29 O 0.75574110934163 0.00618667596185 0.79086460678110 15.999 > 29 30 O 0.84090859052491 0.76294187117003 0.94938301978475 15.999 > 30 31 O 0.15909140947509 0.26294187117003 0.55061698021525 15.999 > 31 32 O 0.25574110934163 0.00618667596185 0.70913539321890 15.999 > 32 33 O 0.34090859052491 0.73705812882997 0.05061698021525 15.999 > 33 34 O 0.74425889065837 0.50618667596185 0.79086460678110 15.999 > 34 35 O 0.34587909801675 0.56979011174625 0.39758968141221 15.999 > 35 36 O 0.65909140947509 0.23705812882997 0.44938301978475 15.999 > 36 37 O 0.84587909801675 0.56979011174625 0.10241031858779 15.999 > 37 38 O 0.65412090198325 0.06979011174625 0.10241031858779 15.999 > 38 39 O 0.65909140947509 0.26294187117003 0.94938301978475 15.999 > 39 40 O 0.24425889065837 0.99381332403815 0.20913539321890 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.071999679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): *1 H 0.06674399878639 0.34000658975259 0.99509015282225 1.008 > 1 2 H 0.56674399878639 0.34000658975259 0.99509015282225 1.008 > 1 3 H 0.43325600121361 0.65999341024741 0.00490984717775 1.008 > 2 4 H 0.93325600121361 0.65999341024741 0.00490984717775 1.008 > 2 5 H 0.18325600121361 0.84000658975259 0.99509015282225 1.008 > 3 6 H 0.68325600121361 0.84000658975259 0.99509015282225 1.008 > 3 7 H 0.43325600121361 0.84000658975259 0.50490984717775 1.008 > 4 8 H 0.93325600121361 0.84000658975259 0.50490984717775 1.008 > 4 9 H 0.06674399878639 0.15999341024741 0.49509015282225 1.008 > 5 10 H 0.56674399878639 0.15999341024741 0.49509015282225 1.008 > 5 11 H 0.31674399878639 0.15999341024741 0.00490984717775 1.008 > 6 12 H 0.81674399878639 0.15999341024741 0.00490984717775 1.008 > 6 13 H 0.18325600121361 0.65999341024741 0.49509015282225 1.008 > 7 14 H 0.68325600121361 0.65999341024741 0.49509015282225 1.008 > 7 15 H 0.31674399878639 0.34000658975259 0.50490984717775 1.008 > 8 16 H 0.81674399878639 0.34000658975259 0.50490984717775 1.008 > 8 *17 I 0.00198218941119 0.16490530801954 0.65631911393965 126.904 > 9 18 I 0.50198218941119 0.16490530801954 0.65631911393965 126.904 > 9 19 I 0.24801781058881 0.83509469198047 0.15631911393965 126.904 > 10 20 I 0.74801781058881 0.83509469198047 0.15631911393965 126.904 > 10 21 I 0.25198218941119 0.33509469198046 0.34368088606035 126.904 > 11 22 I 0.75198218941119 0.33509469198046 0.34368088606035 126.904 > 11 23 I 0.49801781058881 0.83509469198047 0.34368088606035 126.904 > 12 24 I 0.99801781058881 0.83509469198047 0.34368088606035 126.904 > 12 25 I 0.00198218941119 0.33509469198046 0.15631911393965 126.904 > 13 26 I 0.50198218941119 0.33509469198046 0.15631911393965 126.904 > 13 27 I 0.49801781058881 0.66490530801953 0.84368088606035 126.904 > 14 28 I 0.99801781058881 0.66490530801953 0.84368088606035 126.904 > 14 29 I 0.25198218941119 0.16490530801954 0.84368088606035 126.904 > 15 30 I 0.75198218941119 0.16490530801954 0.84368088606035 126.904 > 15 31 I 0.24801781058881 0.66490530801953 0.65631911393965 126.904 > 16 32 I 0.74801781058881 0.66490530801953 0.65631911393965 126.904 > 16 *33 O 0.37787055467081 0.49381332403815 0.29086460678110 15.999 > 17 34 O 0.87787055467081 0.49381332403815 0.29086460678110 15.999 > 17 35 O 0.12787055467082 0.49381332403815 0.20913539321890 15.999 > 18 36 O 0.62787055467081 0.49381332403815 0.20913539321890 15.999 > 18 *37 O 0.07954570473755 0.23705812882997 0.05061698021525 15.999 > 19 38 O 0.57954570473755 0.23705812882997 0.05061698021525 15.999 > 19 *39 O 0.42293954900837 0.93020988825375 0.60241031858779 15.999 > 20 40 O 0.92293954900837 0.93020988825375 0.60241031858779 15.999 > 20 41 O 0.37212944532919 0.99381332403815 0.29086460678110 15.999 > 21 42 O 0.87212944532919 0.99381332403815 0.29086460678110 15.999 > 21 43 O 0.17293954900837 0.93020988825375 0.89758968141221 15.999 > 22 44 O 0.67293954900837 0.93020988825375 0.89758968141221 15.999 > 22 45 O 0.42045429526245 0.73705812882997 0.44938301978475 15.999 > 23 46 O 0.92045429526245 0.73705812882997 0.44938301978475 15.999 > 23 47 O 0.07706045099163 0.06979011174625 0.39758968141221 15.999 > 24 48 O 0.57706045099163 0.06979011174625 0.39758968141221 15.999 > 24 49 O 0.07706045099163 0.43020988825375 0.89758968141221 15.999 > 25 50 O 0.57706045099163 0.43020988825375 0.89758968141221 15.999 > 25 51 O 0.12212944532919 0.50618667596185 0.70913539321890 15.999 > 26 52 O 0.62212944532919 0.50618667596185 0.70913539321890 15.999 > 26 53 O 0.32706045099163 0.43020988825375 0.60241031858779 15.999 > 27 54 O 0.82706045099163 0.43020988825375 0.60241031858779 15.999 > 27 55 O 0.17045429526245 0.76294187117003 0.55061698021525 15.999 > 28 56 O 0.67045429526245 0.76294187117003 0.55061698021525 15.999 > 28 57 O 0.37787055467081 0.00618667596185 0.79086460678110 15.999 > 29 58 O 0.87787055467081 0.00618667596185 0.79086460678110 15.999 > 29 59 O 0.42045429526245 0.76294187117003 0.94938301978475 15.999 > 30 60 O 0.92045429526245 0.76294187117003 0.94938301978475 15.999 > 30 61 O 0.07954570473755 0.26294187117003 0.55061698021525 15.999 > 31 62 O 0.57954570473755 0.26294187117003 0.55061698021525 15.999 > 31 63 O 0.12787055467082 0.00618667596185 0.70913539321890 15.999 > 32 64 O 0.62787055467081 0.00618667596185 0.70913539321890 15.999 > 32 65 O 0.17045429526245 0.73705812882997 0.05061698021525 15.999 > 33 66 O 0.67045429526245 0.73705812882997 0.05061698021525 15.999 > 33 67 O 0.37212944532919 0.50618667596185 0.79086460678110 15.999 > 34 68 O 0.87212944532919 0.50618667596185 0.79086460678110 15.999 > 34 69 O 0.17293954900837 0.56979011174625 0.39758968141221 15.999 > 35 70 O 0.67293954900837 0.56979011174625 0.39758968141221 15.999 > 35 71 O 0.32954570473755 0.23705812882997 0.44938301978475 15.999 > 36 72 O 0.82954570473755 0.23705812882997 0.44938301978475 15.999 > 36 73 O 0.42293954900837 0.56979011174625 0.10241031858779 15.999 > 37 74 O 0.92293954900837 0.56979011174625 0.10241031858779 15.999 > 37 75 O 0.32706045099163 0.06979011174625 0.10241031858779 15.999 > 38 76 O 0.82706045099163 0.06979011174625 0.10241031858779 15.999 > 38 77 O 0.32954570473755 0.26294187117003 0.94938301978475 15.999 > 39 78 O 0.82954570473755 0.26294187117003 0.94938301978475 15.999 > 39 79 O 0.12212944532919 0.99381332403815 0.20913539321890 15.999 > 40 80 O 0.62212944532919 0.99381332403815 0.20913539321890 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8910192 0.0000000 0.0000000 0.0000000 4.5680908 0.0000000 0.0000000 0.0000000 4.5013247 -------------------------- Born effective charges -------------------------- 1 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 2 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 3 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 4 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 5 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 6 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 7 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 8 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 9 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 10 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 11 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 12 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 13 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 14 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 15 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 16 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 17 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 18 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 19 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 20 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 21 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 22 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 23 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 24 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 25 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 26 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 27 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 28 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 29 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 30 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 31 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 32 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 33 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 34 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 35 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 36 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 37 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 38 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 39 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 40 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), 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: 2.211 Solver_block: 300 / 640 - Time: 2.203 Solver_block: 400 / 640 - Time: 2.208 Solver_block: 500 / 640 - Time: 2.205 Solver_block: 600 / 640 - Time: 2.205 Solver_block: 640 / 640 - Time: 0.961 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.236 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 12:29:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:29:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.535999839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): 1 H 0.13348799757278 0.34000658975259 0.99509015282225 1.008 2 H 0.86651200242722 0.65999341024741 0.00490984717775 1.008 3 H 0.36651200242722 0.84000658975259 0.99509015282225 1.008 4 H 0.86651200242722 0.84000658975259 0.50490984717775 1.008 5 H 0.13348799757278 0.15999341024741 0.49509015282225 1.008 6 H 0.63348799757278 0.15999341024741 0.00490984717775 1.008 7 H 0.36651200242722 0.65999341024741 0.49509015282225 1.008 8 H 0.63348799757278 0.34000658975259 0.50490984717775 1.008 9 I 0.00396437882237 0.16490530801954 0.65631911393965 126.904 10 I 0.49603562117763 0.83509469198047 0.15631911393965 126.904 11 I 0.50396437882237 0.33509469198046 0.34368088606035 126.904 12 I 0.99603562117763 0.83509469198047 0.34368088606035 126.904 13 I 0.00396437882237 0.33509469198046 0.15631911393965 126.904 14 I 0.99603562117763 0.66490530801953 0.84368088606035 126.904 15 I 0.50396437882237 0.16490530801954 0.84368088606035 126.904 16 I 0.49603562117763 0.66490530801953 0.65631911393965 126.904 17 O 0.75574110934163 0.49381332403815 0.29086460678110 15.999 18 O 0.25574110934163 0.49381332403815 0.20913539321890 15.999 19 O 0.15909140947509 0.23705812882997 0.05061698021525 15.999 20 O 0.84587909801675 0.93020988825375 0.60241031858779 15.999 21 O 0.74425889065837 0.99381332403815 0.29086460678110 15.999 22 O 0.34587909801675 0.93020988825375 0.89758968141221 15.999 23 O 0.84090859052491 0.73705812882997 0.44938301978475 15.999 24 O 0.15412090198325 0.06979011174625 0.39758968141221 15.999 25 O 0.15412090198325 0.43020988825375 0.89758968141221 15.999 26 O 0.24425889065837 0.50618667596185 0.70913539321890 15.999 27 O 0.65412090198325 0.43020988825375 0.60241031858779 15.999 28 O 0.34090859052491 0.76294187117003 0.55061698021525 15.999 29 O 0.75574110934163 0.00618667596185 0.79086460678110 15.999 30 O 0.84090859052491 0.76294187117003 0.94938301978475 15.999 31 O 0.15909140947509 0.26294187117003 0.55061698021525 15.999 32 O 0.25574110934163 0.00618667596185 0.70913539321890 15.999 33 O 0.34090859052491 0.73705812882997 0.05061698021525 15.999 34 O 0.74425889065837 0.50618667596185 0.79086460678110 15.999 35 O 0.34587909801675 0.56979011174625 0.39758968141221 15.999 36 O 0.65909140947509 0.23705812882997 0.44938301978475 15.999 37 O 0.84587909801675 0.56979011174625 0.10241031858779 15.999 38 O 0.65412090198325 0.06979011174625 0.10241031858779 15.999 39 O 0.65909140947509 0.26294187117003 0.94938301978475 15.999 40 O 0.24425889065837 0.99381332403815 0.20913539321890 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.071999679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): 1 H 0.06674399878639 0.34000658975259 0.99509015282225 1.008 > 1 2 H 0.56674399878639 0.34000658975259 0.99509015282225 1.008 > 1 3 H 0.43325600121361 0.65999341024741 0.00490984717775 1.008 > 3 4 H 0.93325600121361 0.65999341024741 0.00490984717775 1.008 > 3 5 H 0.18325600121361 0.84000658975259 0.99509015282225 1.008 > 5 6 H 0.68325600121361 0.84000658975259 0.99509015282225 1.008 > 5 7 H 0.43325600121361 0.84000658975259 0.50490984717775 1.008 > 7 8 H 0.93325600121361 0.84000658975259 0.50490984717775 1.008 > 7 9 H 0.06674399878639 0.15999341024741 0.49509015282225 1.008 > 9 10 H 0.56674399878639 0.15999341024741 0.49509015282225 1.008 > 9 11 H 0.31674399878639 0.15999341024741 0.00490984717775 1.008 > 11 12 H 0.81674399878639 0.15999341024741 0.00490984717775 1.008 > 11 13 H 0.18325600121361 0.65999341024741 0.49509015282225 1.008 > 13 14 H 0.68325600121361 0.65999341024741 0.49509015282225 1.008 > 13 15 H 0.31674399878639 0.34000658975259 0.50490984717775 1.008 > 15 16 H 0.81674399878639 0.34000658975259 0.50490984717775 1.008 > 15 17 I 0.00198218941119 0.16490530801954 0.65631911393965 126.904 > 17 18 I 0.50198218941119 0.16490530801954 0.65631911393965 126.904 > 17 19 I 0.24801781058881 0.83509469198047 0.15631911393965 126.904 > 19 20 I 0.74801781058881 0.83509469198047 0.15631911393965 126.904 > 19 21 I 0.25198218941119 0.33509469198046 0.34368088606035 126.904 > 21 22 I 0.75198218941119 0.33509469198046 0.34368088606035 126.904 > 21 23 I 0.49801781058881 0.83509469198047 0.34368088606035 126.904 > 23 24 I 0.99801781058881 0.83509469198047 0.34368088606035 126.904 > 23 25 I 0.00198218941119 0.33509469198046 0.15631911393965 126.904 > 25 26 I 0.50198218941119 0.33509469198046 0.15631911393965 126.904 > 25 27 I 0.49801781058881 0.66490530801953 0.84368088606035 126.904 > 27 28 I 0.99801781058881 0.66490530801953 0.84368088606035 126.904 > 27 29 I 0.25198218941119 0.16490530801954 0.84368088606035 126.904 > 29 30 I 0.75198218941119 0.16490530801954 0.84368088606035 126.904 > 29 31 I 0.24801781058881 0.66490530801953 0.65631911393965 126.904 > 31 32 I 0.74801781058881 0.66490530801953 0.65631911393965 126.904 > 31 33 O 0.37787055467081 0.49381332403815 0.29086460678110 15.999 > 33 34 O 0.87787055467081 0.49381332403815 0.29086460678110 15.999 > 33 35 O 0.12787055467082 0.49381332403815 0.20913539321890 15.999 > 35 36 O 0.62787055467081 0.49381332403815 0.20913539321890 15.999 > 35 37 O 0.07954570473755 0.23705812882997 0.05061698021525 15.999 > 37 38 O 0.57954570473755 0.23705812882997 0.05061698021525 15.999 > 37 39 O 0.42293954900837 0.93020988825375 0.60241031858779 15.999 > 39 40 O 0.92293954900837 0.93020988825375 0.60241031858779 15.999 > 39 41 O 0.37212944532919 0.99381332403815 0.29086460678110 15.999 > 41 42 O 0.87212944532919 0.99381332403815 0.29086460678110 15.999 > 41 43 O 0.17293954900837 0.93020988825375 0.89758968141221 15.999 > 43 44 O 0.67293954900837 0.93020988825375 0.89758968141221 15.999 > 43 45 O 0.42045429526245 0.73705812882997 0.44938301978475 15.999 > 45 46 O 0.92045429526245 0.73705812882997 0.44938301978475 15.999 > 45 47 O 0.07706045099163 0.06979011174625 0.39758968141221 15.999 > 47 48 O 0.57706045099163 0.06979011174625 0.39758968141221 15.999 > 47 49 O 0.07706045099163 0.43020988825375 0.89758968141221 15.999 > 49 50 O 0.57706045099163 0.43020988825375 0.89758968141221 15.999 > 49 51 O 0.12212944532919 0.50618667596185 0.70913539321890 15.999 > 51 52 O 0.62212944532919 0.50618667596185 0.70913539321890 15.999 > 51 53 O 0.32706045099163 0.43020988825375 0.60241031858779 15.999 > 53 54 O 0.82706045099163 0.43020988825375 0.60241031858779 15.999 > 53 55 O 0.17045429526245 0.76294187117003 0.55061698021525 15.999 > 55 56 O 0.67045429526245 0.76294187117003 0.55061698021525 15.999 > 55 57 O 0.37787055467081 0.00618667596185 0.79086460678110 15.999 > 57 58 O 0.87787055467081 0.00618667596185 0.79086460678110 15.999 > 57 59 O 0.42045429526245 0.76294187117003 0.94938301978475 15.999 > 59 60 O 0.92045429526245 0.76294187117003 0.94938301978475 15.999 > 59 61 O 0.07954570473755 0.26294187117003 0.55061698021525 15.999 > 61 62 O 0.57954570473755 0.26294187117003 0.55061698021525 15.999 > 61 63 O 0.12787055467082 0.00618667596185 0.70913539321890 15.999 > 63 64 O 0.62787055467081 0.00618667596185 0.70913539321890 15.999 > 63 65 O 0.17045429526245 0.73705812882997 0.05061698021525 15.999 > 65 66 O 0.67045429526245 0.73705812882997 0.05061698021525 15.999 > 65 67 O 0.37212944532919 0.50618667596185 0.79086460678110 15.999 > 67 68 O 0.87212944532919 0.50618667596185 0.79086460678110 15.999 > 67 69 O 0.17293954900837 0.56979011174625 0.39758968141221 15.999 > 69 70 O 0.67293954900837 0.56979011174625 0.39758968141221 15.999 > 69 71 O 0.32954570473755 0.23705812882997 0.44938301978475 15.999 > 71 72 O 0.82954570473755 0.23705812882997 0.44938301978475 15.999 > 71 73 O 0.42293954900837 0.56979011174625 0.10241031858779 15.999 > 73 74 O 0.92293954900837 0.56979011174625 0.10241031858779 15.999 > 73 75 O 0.32706045099163 0.06979011174625 0.10241031858779 15.999 > 75 76 O 0.82706045099163 0.06979011174625 0.10241031858779 15.999 > 75 77 O 0.32954570473755 0.26294187117003 0.94938301978475 15.999 > 77 78 O 0.82954570473755 0.26294187117003 0.94938301978475 15.999 > 77 79 O 0.12212944532919 0.99381332403815 0.20913539321890 15.999 > 79 80 O 0.62212944532919 0.99381332403815 0.20913539321890 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8910192 0.0000000 0.0000000 0.0000000 4.5680908 0.0000000 0.0000000 0.0000000 4.5013247 -------------------------- Born effective charges -------------------------- 1 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 2 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 3 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 4 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 5 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 6 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 7 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 8 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 9 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 10 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 11 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 12 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 13 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 14 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 15 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 16 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 17 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 18 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 19 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 20 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 21 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 22 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 23 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 24 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 25 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 26 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 27 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 28 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 29 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 30 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 31 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 32 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 33 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 34 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 35 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 36 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 37 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 38 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 39 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 40 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 ---------------------------------------------------------------------------- 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[ 37, 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[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 12:29:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:29:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.535999839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): 1 H 0.13348799757278 0.34000658975259 0.99509015282225 1.008 2 H 0.86651200242722 0.65999341024741 0.00490984717775 1.008 3 H 0.36651200242722 0.84000658975259 0.99509015282225 1.008 4 H 0.86651200242722 0.84000658975259 0.50490984717775 1.008 5 H 0.13348799757278 0.15999341024741 0.49509015282225 1.008 6 H 0.63348799757278 0.15999341024741 0.00490984717775 1.008 7 H 0.36651200242722 0.65999341024741 0.49509015282225 1.008 8 H 0.63348799757278 0.34000658975259 0.50490984717775 1.008 9 I 0.00396437882237 0.16490530801954 0.65631911393965 126.904 10 I 0.49603562117763 0.83509469198047 0.15631911393965 126.904 11 I 0.50396437882237 0.33509469198046 0.34368088606035 126.904 12 I 0.99603562117763 0.83509469198047 0.34368088606035 126.904 13 I 0.00396437882237 0.33509469198046 0.15631911393965 126.904 14 I 0.99603562117763 0.66490530801953 0.84368088606035 126.904 15 I 0.50396437882237 0.16490530801954 0.84368088606035 126.904 16 I 0.49603562117763 0.66490530801953 0.65631911393965 126.904 17 O 0.75574110934163 0.49381332403815 0.29086460678110 15.999 18 O 0.25574110934163 0.49381332403815 0.20913539321890 15.999 19 O 0.15909140947509 0.23705812882997 0.05061698021525 15.999 20 O 0.84587909801675 0.93020988825375 0.60241031858779 15.999 21 O 0.74425889065837 0.99381332403815 0.29086460678110 15.999 22 O 0.34587909801675 0.93020988825375 0.89758968141221 15.999 23 O 0.84090859052491 0.73705812882997 0.44938301978475 15.999 24 O 0.15412090198325 0.06979011174625 0.39758968141221 15.999 25 O 0.15412090198325 0.43020988825375 0.89758968141221 15.999 26 O 0.24425889065837 0.50618667596185 0.70913539321890 15.999 27 O 0.65412090198325 0.43020988825375 0.60241031858779 15.999 28 O 0.34090859052491 0.76294187117003 0.55061698021525 15.999 29 O 0.75574110934163 0.00618667596185 0.79086460678110 15.999 30 O 0.84090859052491 0.76294187117003 0.94938301978475 15.999 31 O 0.15909140947509 0.26294187117003 0.55061698021525 15.999 32 O 0.25574110934163 0.00618667596185 0.70913539321890 15.999 33 O 0.34090859052491 0.73705812882997 0.05061698021525 15.999 34 O 0.74425889065837 0.50618667596185 0.79086460678110 15.999 35 O 0.34587909801675 0.56979011174625 0.39758968141221 15.999 36 O 0.65909140947509 0.23705812882997 0.44938301978475 15.999 37 O 0.84587909801675 0.56979011174625 0.10241031858779 15.999 38 O 0.65412090198325 0.06979011174625 0.10241031858779 15.999 39 O 0.65909140947509 0.26294187117003 0.94938301978475 15.999 40 O 0.24425889065837 0.99381332403815 0.20913539321890 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.071999679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.928104539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.838977459999999 Atomic positions (fractional): 1 H 0.06674399878639 0.34000658975259 0.99509015282225 1.008 > 1 2 H 0.56674399878639 0.34000658975259 0.99509015282225 1.008 > 1 3 H 0.43325600121361 0.65999341024741 0.00490984717775 1.008 > 3 4 H 0.93325600121361 0.65999341024741 0.00490984717775 1.008 > 3 5 H 0.18325600121361 0.84000658975259 0.99509015282225 1.008 > 5 6 H 0.68325600121361 0.84000658975259 0.99509015282225 1.008 > 5 7 H 0.43325600121361 0.84000658975259 0.50490984717775 1.008 > 7 8 H 0.93325600121361 0.84000658975259 0.50490984717775 1.008 > 7 9 H 0.06674399878639 0.15999341024741 0.49509015282225 1.008 > 9 10 H 0.56674399878639 0.15999341024741 0.49509015282225 1.008 > 9 11 H 0.31674399878639 0.15999341024741 0.00490984717775 1.008 > 11 12 H 0.81674399878639 0.15999341024741 0.00490984717775 1.008 > 11 13 H 0.18325600121361 0.65999341024741 0.49509015282225 1.008 > 13 14 H 0.68325600121361 0.65999341024741 0.49509015282225 1.008 > 13 15 H 0.31674399878639 0.34000658975259 0.50490984717775 1.008 > 15 16 H 0.81674399878639 0.34000658975259 0.50490984717775 1.008 > 15 17 I 0.00198218941119 0.16490530801954 0.65631911393965 126.904 > 17 18 I 0.50198218941119 0.16490530801954 0.65631911393965 126.904 > 17 19 I 0.24801781058881 0.83509469198047 0.15631911393965 126.904 > 19 20 I 0.74801781058881 0.83509469198047 0.15631911393965 126.904 > 19 21 I 0.25198218941119 0.33509469198046 0.34368088606035 126.904 > 21 22 I 0.75198218941119 0.33509469198046 0.34368088606035 126.904 > 21 23 I 0.49801781058881 0.83509469198047 0.34368088606035 126.904 > 23 24 I 0.99801781058881 0.83509469198047 0.34368088606035 126.904 > 23 25 I 0.00198218941119 0.33509469198046 0.15631911393965 126.904 > 25 26 I 0.50198218941119 0.33509469198046 0.15631911393965 126.904 > 25 27 I 0.49801781058881 0.66490530801953 0.84368088606035 126.904 > 27 28 I 0.99801781058881 0.66490530801953 0.84368088606035 126.904 > 27 29 I 0.25198218941119 0.16490530801954 0.84368088606035 126.904 > 29 30 I 0.75198218941119 0.16490530801954 0.84368088606035 126.904 > 29 31 I 0.24801781058881 0.66490530801953 0.65631911393965 126.904 > 31 32 I 0.74801781058881 0.66490530801953 0.65631911393965 126.904 > 31 33 O 0.37787055467081 0.49381332403815 0.29086460678110 15.999 > 33 34 O 0.87787055467081 0.49381332403815 0.29086460678110 15.999 > 33 35 O 0.12787055467082 0.49381332403815 0.20913539321890 15.999 > 35 36 O 0.62787055467081 0.49381332403815 0.20913539321890 15.999 > 35 37 O 0.07954570473755 0.23705812882997 0.05061698021525 15.999 > 37 38 O 0.57954570473755 0.23705812882997 0.05061698021525 15.999 > 37 39 O 0.42293954900837 0.93020988825375 0.60241031858779 15.999 > 39 40 O 0.92293954900837 0.93020988825375 0.60241031858779 15.999 > 39 41 O 0.37212944532919 0.99381332403815 0.29086460678110 15.999 > 41 42 O 0.87212944532919 0.99381332403815 0.29086460678110 15.999 > 41 43 O 0.17293954900837 0.93020988825375 0.89758968141221 15.999 > 43 44 O 0.67293954900837 0.93020988825375 0.89758968141221 15.999 > 43 45 O 0.42045429526245 0.73705812882997 0.44938301978475 15.999 > 45 46 O 0.92045429526245 0.73705812882997 0.44938301978475 15.999 > 45 47 O 0.07706045099163 0.06979011174625 0.39758968141221 15.999 > 47 48 O 0.57706045099163 0.06979011174625 0.39758968141221 15.999 > 47 49 O 0.07706045099163 0.43020988825375 0.89758968141221 15.999 > 49 50 O 0.57706045099163 0.43020988825375 0.89758968141221 15.999 > 49 51 O 0.12212944532919 0.50618667596185 0.70913539321890 15.999 > 51 52 O 0.62212944532919 0.50618667596185 0.70913539321890 15.999 > 51 53 O 0.32706045099163 0.43020988825375 0.60241031858779 15.999 > 53 54 O 0.82706045099163 0.43020988825375 0.60241031858779 15.999 > 53 55 O 0.17045429526245 0.76294187117003 0.55061698021525 15.999 > 55 56 O 0.67045429526245 0.76294187117003 0.55061698021525 15.999 > 55 57 O 0.37787055467081 0.00618667596185 0.79086460678110 15.999 > 57 58 O 0.87787055467081 0.00618667596185 0.79086460678110 15.999 > 57 59 O 0.42045429526245 0.76294187117003 0.94938301978475 15.999 > 59 60 O 0.92045429526245 0.76294187117003 0.94938301978475 15.999 > 59 61 O 0.07954570473755 0.26294187117003 0.55061698021525 15.999 > 61 62 O 0.57954570473755 0.26294187117003 0.55061698021525 15.999 > 61 63 O 0.12787055467082 0.00618667596185 0.70913539321890 15.999 > 63 64 O 0.62787055467081 0.00618667596185 0.70913539321890 15.999 > 63 65 O 0.17045429526245 0.73705812882997 0.05061698021525 15.999 > 65 66 O 0.67045429526245 0.73705812882997 0.05061698021525 15.999 > 65 67 O 0.37212944532919 0.50618667596185 0.79086460678110 15.999 > 67 68 O 0.87212944532919 0.50618667596185 0.79086460678110 15.999 > 67 69 O 0.17293954900837 0.56979011174625 0.39758968141221 15.999 > 69 70 O 0.67293954900837 0.56979011174625 0.39758968141221 15.999 > 69 71 O 0.32954570473755 0.23705812882997 0.44938301978475 15.999 > 71 72 O 0.82954570473755 0.23705812882997 0.44938301978475 15.999 > 71 73 O 0.42293954900837 0.56979011174625 0.10241031858779 15.999 > 73 74 O 0.92293954900837 0.56979011174625 0.10241031858779 15.999 > 73 75 O 0.32706045099163 0.06979011174625 0.10241031858779 15.999 > 75 76 O 0.82706045099163 0.06979011174625 0.10241031858779 15.999 > 75 77 O 0.32954570473755 0.26294187117003 0.94938301978475 15.999 > 77 78 O 0.82954570473755 0.26294187117003 0.94938301978475 15.999 > 77 79 O 0.12212944532919 0.99381332403815 0.20913539321890 15.999 > 79 80 O 0.62212944532919 0.99381332403815 0.20913539321890 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8910192 0.0000000 0.0000000 0.0000000 4.5680908 0.0000000 0.0000000 0.0000000 4.5013247 -------------------------- Born effective charges -------------------------- 1 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 2 H 0.2911739 0.1473154 0.0585028 0.1444244 0.5035962 -0.4699573 0.1708643 -0.9879409 2.2141173 3 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 4 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 5 H 0.2911739 -0.1473154 0.0585028 -0.1444244 0.5035962 0.4699573 0.1708643 0.9879409 2.2141173 6 H 0.2911739 -0.1473154 -0.0585028 -0.1444244 0.5035962 -0.4699573 -0.1708643 -0.9879409 2.2141173 7 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 8 H 0.2911739 0.1473154 -0.0585028 0.1444244 0.5035962 0.4699573 -0.1708643 0.9879409 2.2141173 9 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 10 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 11 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 12 I 5.2197364 0.4252958 0.9667963 -0.0849948 4.6868988 -0.0498289 0.1868050 -0.7896200 4.1860222 13 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 14 I 5.2197364 -0.4252958 0.9667963 0.0849948 4.6868988 0.0498289 0.1868050 0.7896200 4.1860222 15 I 5.2197364 0.4252958 -0.9667963 -0.0849948 4.6868988 0.0498289 -0.1868050 0.7896200 4.1860222 16 I 5.2197364 -0.4252958 -0.9667963 0.0849948 4.6868988 -0.0498289 -0.1868050 -0.7896200 4.1860222 17 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 18 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 19 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 20 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 21 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 22 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 23 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 24 O -1.8786452 -1.5329276 -0.5135614 -0.8183830 -2.0941390 -0.6754329 -0.1358005 -0.5500896 -1.9053721 25 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 26 O -2.7478685 -1.1350419 0.8475305 -0.9638432 -2.1230014 -0.0901533 1.0899213 0.3435228 -1.6920718 27 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 28 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 29 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 30 O -0.8843965 0.0775875 0.2396426 0.2476862 -0.9733546 -0.1391649 0.4030828 0.4067819 -2.8026957 31 O -0.8843965 -0.0775875 0.2396426 -0.2476862 -0.9733546 0.1391649 0.4030828 -0.4067819 -2.8026957 32 O -2.7478685 1.1350419 -0.8475305 0.9638432 -2.1230014 -0.0901533 -1.0899213 0.3435228 -1.6920718 33 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 34 O -2.7478685 -1.1350419 -0.8475305 -0.9638432 -2.1230014 0.0901533 -1.0899213 -0.3435228 -1.6920718 35 O -1.8786452 1.5329276 0.5135614 0.8183830 -2.0941390 -0.6754329 0.1358005 -0.5500896 -1.9053721 36 O -0.8843965 0.0775875 -0.2396426 0.2476862 -0.9733546 0.1391649 -0.4030828 -0.4067819 -2.8026957 37 O -1.8786452 1.5329276 -0.5135614 0.8183830 -2.0941390 0.6754329 -0.1358005 0.5500896 -1.9053721 38 O -1.8786452 -1.5329276 0.5135614 -0.8183830 -2.0941390 0.6754329 0.1358005 0.5500896 -1.9053721 39 O -0.8843965 -0.0775875 -0.2396426 -0.2476862 -0.9733546 -0.1391649 -0.4030828 0.4067819 -2.8026957 40 O -2.7478685 1.1350419 0.8475305 0.9638432 -2.1230014 0.0901533 1.0899213 -0.3435228 -1.6920718 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 3 ] 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: 0.53, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 10.867 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.340 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 17.907 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.557 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 18.580 ( 0.000 0.000 0.000) 0.000 19.097 ( 0.000 0.000 0.000) 0.000 19.105 ( 0.000 0.000 0.000) 0.000 19.189 ( 0.000 0.000 0.000) 0.000 19.333 ( 0.000 0.000 0.000) 0.000 19.394 ( 0.000 0.000 0.000) 0.000 19.476 ( 0.000 0.000 0.000) 0.000 19.535 ( 0.000 0.000 0.000) 0.000 19.536 ( 0.000 0.000 0.000) 0.000 19.823 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 20.505 ( 0.000 0.000 0.000) 0.000 20.710 ( 0.000 0.000 0.000) 0.000 21.069 ( 0.000 0.000 0.000) 0.000 21.224 ( 0.000 0.000 0.000) 0.000 21.490 ( 0.000 0.000 0.000) 0.000 21.505 ( 0.000 0.000 0.000) 0.000 21.545 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 22.086 ( 0.000 0.000 0.000) 0.000 22.364 ( 0.000 0.000 0.000) 0.000 22.472 ( 0.000 0.000 0.000) 0.000 22.504 ( 0.000 0.000 0.000) 0.000 22.595 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 22.923 ( 0.000 0.000 0.000) 0.000 23.114 ( 0.000 0.000 0.000) 0.000 33.970 ( 0.000 0.000 0.000) 0.000 34.005 ( 0.000 0.000 0.000) 0.000 35.465 ( 0.000 0.000 0.000) 0.000 35.470 ( 0.000 0.000 0.000) 0.000 35.525 ( 0.000 0.000 0.000) 0.000 35.557 ( 0.000 0.000 0.000) 0.000 35.736 ( 0.000 0.000 0.000) 0.000 36.388 ( 0.000 0.000 0.000) 0.000 77.959 ( 0.000 0.000 0.000) 0.000 77.967 ( 0.000 0.000 0.000) 0.000 78.108 ( 0.000 0.000 0.000) 0.000 78.229 ( 0.000 0.000 0.000) 0.000 78.916 ( 0.000 0.000 0.000) 0.000 79.187 ( 0.000 0.000 0.000) 0.000 80.277 ( 0.000 0.000 0.000) 0.000 85.891 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 21.758 0.000 0.000) 21.758 0.438 ( 22.352 0.000 0.000) 22.352 0.659 ( 32.874 0.000 0.000) 32.874 1.296 ( 6.669 0.000 0.000) 6.669 1.462 ( 9.284 0.000 0.000) 9.284 1.786 ( 5.468 0.000 0.000) 5.468 1.802 ( 2.154 0.000 0.000) 2.154 2.185 ( 3.882 0.000 0.000) 3.882 2.259 ( -0.154 0.000 0.000) 0.154 2.385 ( 2.667 0.000 0.000) 2.667 2.420 ( 2.945 0.000 0.000) 2.945 2.632 ( -0.684 0.000 0.000) 0.684 2.815 ( 3.595 0.000 0.000) 3.595 2.827 ( 2.357 0.000 0.000) 2.357 2.890 ( -3.000 0.000 0.000) 3.000 2.978 ( 1.065 0.000 0.000) 1.065 3.021 ( 4.914 0.000 0.000) 4.914 3.139 ( 8.286 0.000 0.000) 8.286 3.140 ( 4.860 0.000 0.000) 4.860 3.384 ( -9.341 0.000 0.000) 9.341 3.420 ( 1.796 0.000 0.000) 1.796 3.764 ( 3.199 0.000 0.000) 3.199 3.830 ( -1.104 0.000 0.000) 1.104 4.104 ( -2.562 0.000 0.000) 2.562 4.211 ( -1.508 0.000 0.000) 1.508 4.212 ( -3.355 0.000 0.000) 3.355 4.475 ( -8.521 0.000 0.000) 8.521 4.480 ( -4.063 0.000 0.000) 4.063 4.631 ( -7.851 0.000 0.000) 7.851 4.695 ( -4.861 0.000 0.000) 4.861 4.783 ( -3.929 0.000 0.000) 3.929 4.832 ( -2.433 0.000 0.000) 2.433 4.910 ( 1.816 0.000 0.000) 1.816 5.189 ( -0.670 0.000 0.000) 0.670 5.414 ( -1.173 0.000 0.000) 1.173 5.535 ( -2.229 0.000 0.000) 2.229 5.561 ( -4.568 0.000 0.000) 4.568 5.582 ( -9.742 0.000 0.000) 9.742 5.997 ( -6.996 0.000 0.000) 6.996 6.210 ( -6.254 0.000 0.000) 6.254 6.331 ( 5.060 0.000 0.000) 5.060 6.497 ( 1.602 0.000 0.000) 1.602 6.585 ( 1.899 0.000 0.000) 1.899 6.627 ( 0.045 0.000 0.000) 0.045 6.754 ( 6.371 0.000 0.000) 6.371 7.192 ( 0.502 0.000 0.000) 0.502 7.387 ( -5.560 0.000 0.000) 5.560 7.417 ( -0.722 0.000 0.000) 0.722 7.527 ( 2.658 0.000 0.000) 2.658 7.778 ( 2.269 0.000 0.000) 2.269 7.934 ( 1.194 0.000 0.000) 1.194 8.051 ( -0.421 0.000 0.000) 0.421 8.552 ( -0.754 0.000 0.000) 0.754 8.588 ( -1.609 0.000 0.000) 1.609 8.635 ( 0.036 0.000 0.000) 0.036 8.877 ( -1.002 0.000 0.000) 1.002 9.771 ( 3.835 0.000 0.000) 3.835 9.809 ( -0.164 0.000 0.000) 0.164 9.863 ( 3.786 0.000 0.000) 3.786 9.934 ( -0.788 0.000 0.000) 0.788 9.977 ( -0.253 0.000 0.000) 0.253 10.192 ( -1.424 0.000 0.000) 1.424 10.408 ( 0.267 0.000 0.000) 0.267 10.501 ( -0.333 0.000 0.000) 0.333 10.837 ( -2.712 0.000 0.000) 2.712 10.902 ( -2.520 0.000 0.000) 2.520 11.058 ( -4.788 0.000 0.000) 4.788 11.124 ( -16.229 0.000 0.000) 16.229 11.438 ( 4.075 0.000 0.000) 4.075 11.743 ( 5.252 0.000 0.000) 5.252 11.760 ( 0.257 0.000 0.000) 0.257 12.122 ( -1.815 0.000 0.000) 1.815 18.016 ( 10.189 0.000 0.000) 10.189 18.195 ( 17.708 0.000 0.000) 17.708 18.563 ( -0.850 0.000 0.000) 0.850 18.593 ( 1.905 0.000 0.000) 1.905 18.607 ( 3.969 0.000 0.000) 3.969 18.912 ( -3.021 0.000 0.000) 3.021 19.048 ( -10.327 0.000 0.000) 10.327 19.148 ( 4.553 0.000 0.000) 4.553 19.176 ( 1.965 0.000 0.000) 1.965 19.237 ( 4.761 0.000 0.000) 4.761 19.495 ( -3.738 0.000 0.000) 3.738 19.596 ( 5.344 0.000 0.000) 5.344 19.764 ( 15.238 0.000 0.000) 15.238 19.794 ( -2.867 0.000 0.000) 2.867 20.147 ( 3.352 0.000 0.000) 3.352 20.439 ( -4.545 0.000 0.000) 4.545 20.717 ( 0.566 0.000 0.000) 0.566 20.970 ( 1.322 0.000 0.000) 1.322 21.305 ( 6.983 0.000 0.000) 6.983 21.373 ( -11.668 0.000 0.000) 11.668 21.398 ( -9.234 0.000 0.000) 9.234 21.503 ( 0.998 0.000 0.000) 0.998 21.720 ( 4.919 0.000 0.000) 4.919 22.087 ( 0.398 0.000 0.000) 0.398 22.372 ( -5.428 0.000 0.000) 5.428 22.425 ( 4.293 0.000 0.000) 4.293 22.518 ( 2.087 0.000 0.000) 2.087 22.537 ( 3.984 0.000 0.000) 3.984 22.569 ( -2.125 0.000 0.000) 2.125 22.785 ( 0.954 0.000 0.000) 0.954 23.120 ( 0.207 0.000 0.000) 0.207 23.406 ( -2.017 0.000 0.000) 2.017 34.038 ( 3.213 0.000 0.000) 3.213 34.067 ( 3.319 0.000 0.000) 3.319 35.472 ( 0.720 0.000 0.000) 0.720 35.479 ( 0.952 0.000 0.000) 0.952 35.481 ( -6.936 0.000 0.000) 6.936 35.487 ( -3.835 0.000 0.000) 3.835 35.743 ( 0.182 0.000 0.000) 0.182 36.292 ( -8.937 0.000 0.000) 8.937 77.954 ( -0.404 0.000 0.000) 0.404 77.968 ( 0.116 0.000 0.000) 0.116 78.117 ( 0.749 0.000 0.000) 0.749 78.223 ( -0.634 0.000 0.000) 0.634 78.963 ( 4.598 0.000 0.000) 4.598 79.209 ( 2.070 0.000 0.000) 2.070 80.197 ( -7.655 0.000 0.000) 7.655 85.017 ( -79.119 0.000 0.000) 79.119 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 23.649 0.000 0.000) 23.649 0.898 ( 23.191 0.000 0.000) 23.191 1.316 ( 32.302 0.000 0.000) 32.302 1.500 ( 13.425 0.000 0.000) 13.425 1.693 ( 12.424 0.000 0.000) 12.424 1.885 ( 6.540 0.000 0.000) 6.540 1.928 ( 7.933 0.000 0.000) 7.933 2.259 ( 0.008 0.000 0.000) 0.008 2.274 ( 4.430 0.000 0.000) 4.430 2.451 ( 3.395 0.000 0.000) 3.395 2.482 ( 2.327 0.000 0.000) 2.327 2.613 ( -1.127 0.000 0.000) 1.127 2.827 ( -2.241 0.000 0.000) 2.241 2.865 ( 1.233 0.000 0.000) 1.233 2.909 ( 4.826 0.000 0.000) 4.826 3.046 ( 5.289 0.000 0.000) 5.289 3.138 ( 5.624 0.000 0.000) 5.624 3.207 ( -6.308 0.000 0.000) 6.308 3.299 ( 10.755 0.000 0.000) 10.755 3.328 ( 10.096 0.000 0.000) 10.096 3.478 ( 3.858 0.000 0.000) 3.858 3.805 ( -1.194 0.000 0.000) 1.194 3.824 ( 3.040 0.000 0.000) 3.040 4.037 ( -3.894 0.000 0.000) 3.894 4.099 ( -8.850 0.000 0.000) 8.850 4.167 ( -2.967 0.000 0.000) 2.967 4.247 ( -12.560 0.000 0.000) 12.560 4.378 ( -5.355 0.000 0.000) 5.355 4.405 ( -13.598 0.000 0.000) 13.598 4.576 ( -7.098 0.000 0.000) 7.098 4.670 ( -7.155 0.000 0.000) 7.155 4.749 ( -6.147 0.000 0.000) 6.147 4.950 ( 2.335 0.000 0.000) 2.335 5.171 ( -1.144 0.000 0.000) 1.144 5.347 ( -12.378 0.000 0.000) 12.378 5.364 ( -4.141 0.000 0.000) 4.141 5.444 ( -6.660 0.000 0.000) 6.660 5.456 ( -5.827 0.000 0.000) 5.827 5.809 ( -11.122 0.000 0.000) 11.122 6.028 ( -11.464 0.000 0.000) 11.464 6.444 ( 5.656 0.000 0.000) 5.656 6.536 ( 2.085 0.000 0.000) 2.085 6.645 ( 2.020 0.000 0.000) 2.020 6.662 ( 5.463 0.000 0.000) 5.463 6.880 ( 5.514 0.000 0.000) 5.514 7.206 ( 0.902 0.000 0.000) 0.902 7.271 ( -5.449 0.000 0.000) 5.449 7.396 ( -1.323 0.000 0.000) 1.323 7.595 ( 4.253 0.000 0.000) 4.253 7.841 ( 3.888 0.000 0.000) 3.888 7.978 ( 3.279 0.000 0.000) 3.279 8.053 ( 0.702 0.000 0.000) 0.702 8.512 ( -6.542 0.000 0.000) 6.542 8.524 ( -2.235 0.000 0.000) 2.235 8.637 ( 0.261 0.000 0.000) 0.261 8.851 ( -1.662 0.000 0.000) 1.662 9.820 ( 1.539 0.000 0.000) 1.539 9.868 ( 4.900 0.000 0.000) 4.900 9.918 ( -0.007 0.000 0.000) 0.007 9.953 ( 4.604 0.000 0.000) 4.604 9.986 ( 1.619 0.000 0.000) 1.619 10.151 ( -2.543 0.000 0.000) 2.543 10.424 ( 1.480 0.000 0.000) 1.480 10.487 ( -1.131 0.000 0.000) 1.131 10.774 ( -3.228 0.000 0.000) 3.228 10.796 ( -15.404 0.000 0.000) 15.404 10.835 ( -3.941 0.000 0.000) 3.941 10.940 ( -6.602 0.000 0.000) 6.602 11.540 ( 5.736 0.000 0.000) 5.736 11.765 ( 0.242 0.000 0.000) 0.242 11.812 ( 1.662 0.000 0.000) 1.662 12.069 ( -3.385 0.000 0.000) 3.385 18.269 ( 13.503 0.000 0.000) 13.503 18.468 ( 4.910 0.000 0.000) 4.910 18.538 ( -1.481 0.000 0.000) 1.481 18.661 ( 0.563 0.000 0.000) 0.563 18.762 ( 16.491 0.000 0.000) 16.491 18.865 ( -5.896 0.000 0.000) 5.896 18.867 ( -0.885 0.000 0.000) 0.885 19.259 ( 2.545 0.000 0.000) 2.545 19.293 ( 7.852 0.000 0.000) 7.852 19.376 ( 8.929 0.000 0.000) 8.929 19.442 ( 2.213 0.000 0.000) 2.213 19.710 ( -5.444 0.000 0.000) 5.444 19.715 ( 5.890 0.000 0.000) 5.890 19.920 ( -1.223 0.000 0.000) 1.223 20.254 ( 7.447 0.000 0.000) 7.447 20.464 ( 9.526 0.000 0.000) 9.526 20.708 ( -3.015 0.000 0.000) 3.015 21.000 ( 1.306 0.000 0.000) 1.306 21.084 ( -16.108 0.000 0.000) 16.108 21.236 ( -5.273 0.000 0.000) 5.273 21.453 ( 6.618 0.000 0.000) 6.618 21.531 ( 1.681 0.000 0.000) 1.681 21.763 ( -1.626 0.000 0.000) 1.626 22.133 ( 5.252 0.000 0.000) 5.252 22.240 ( -7.724 0.000 0.000) 7.724 22.489 ( 2.515 0.000 0.000) 2.515 22.538 ( -0.330 0.000 0.000) 0.330 22.552 ( 1.436 0.000 0.000) 1.436 22.666 ( 7.730 0.000 0.000) 7.730 22.808 ( 1.154 0.000 0.000) 1.154 23.107 ( -1.825 0.000 0.000) 1.825 23.344 ( -4.165 0.000 0.000) 4.165 34.134 ( 6.431 0.000 0.000) 6.431 34.166 ( 6.573 0.000 0.000) 6.573 35.300 ( -10.777 0.000 0.000) 10.777 35.362 ( -8.911 0.000 0.000) 8.911 35.494 ( 1.439 0.000 0.000) 1.439 35.507 ( 1.853 0.000 0.000) 1.853 35.731 ( -1.382 0.000 0.000) 1.382 36.071 ( -11.772 0.000 0.000) 11.772 77.949 ( -0.011 0.000 0.000) 0.011 77.975 ( 0.702 0.000 0.000) 0.702 78.131 ( 0.416 0.000 0.000) 0.416 78.202 ( -1.532 0.000 0.000) 1.532 79.098 ( 8.893 0.000 0.000) 8.893 79.266 ( 3.460 0.000 0.000) 3.460 79.997 ( -11.459 0.000 0.000) 11.459 83.161 ( -95.466 0.000 0.000) 95.466 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 22.951 0.000 0.000) 22.951 1.352 ( 21.450 0.000 0.000) 21.450 1.810 ( 16.454 0.000 0.000) 16.454 1.883 ( 12.175 0.000 0.000) 12.175 1.966 ( 24.767 0.000 0.000) 24.767 2.072 ( 5.718 0.000 0.000) 5.718 2.075 ( 12.323 0.000 0.000) 12.323 2.236 ( -3.148 0.000 0.000) 3.148 2.348 ( 2.844 0.000 0.000) 2.844 2.476 ( -2.692 0.000 0.000) 2.692 2.492 ( -0.055 0.000 0.000) 0.055 2.587 ( -1.878 0.000 0.000) 1.878 2.854 ( 5.153 0.000 0.000) 5.153 2.901 ( 3.270 0.000 0.000) 3.270 2.961 ( 1.090 0.000 0.000) 1.090 3.151 ( 3.577 0.000 0.000) 3.577 3.178 ( -2.960 0.000 0.000) 2.960 3.205 ( 5.673 0.000 0.000) 5.673 3.514 ( 6.757 0.000 0.000) 6.757 3.520 ( 7.938 0.000 0.000) 7.938 3.584 ( 8.790 0.000 0.000) 8.790 3.802 ( 1.570 0.000 0.000) 1.570 3.811 ( -17.854 0.000 0.000) 17.854 3.896 ( 4.019 0.000 0.000) 4.019 3.960 ( -3.570 0.000 0.000) 3.570 4.058 ( -6.345 0.000 0.000) 6.345 4.082 ( -5.841 0.000 0.000) 5.841 4.128 ( -12.716 0.000 0.000) 12.716 4.300 ( -1.769 0.000 0.000) 1.769 4.426 ( -7.012 0.000 0.000) 7.012 4.511 ( -8.165 0.000 0.000) 8.165 4.589 ( -9.200 0.000 0.000) 9.200 5.007 ( 2.878 0.000 0.000) 2.878 5.072 ( -9.174 0.000 0.000) 9.174 5.208 ( 0.345 0.000 0.000) 0.345 5.234 ( -8.783 0.000 0.000) 8.783 5.303 ( -8.955 0.000 0.000) 8.955 5.322 ( -4.176 0.000 0.000) 4.176 5.582 ( -10.689 0.000 0.000) 10.689 5.776 ( -12.950 0.000 0.000) 12.950 6.543 ( 3.960 0.000 0.000) 3.960 6.577 ( 1.866 0.000 0.000) 1.866 6.712 ( 4.520 0.000 0.000) 4.520 6.784 ( 6.017 0.000 0.000) 6.017 6.962 ( 2.743 0.000 0.000) 2.743 7.175 ( -4.269 0.000 0.000) 4.269 7.231 ( 1.667 0.000 0.000) 1.667 7.363 ( -1.914 0.000 0.000) 1.914 7.700 ( 6.295 0.000 0.000) 6.295 7.928 ( 4.597 0.000 0.000) 4.597 8.067 ( 5.463 0.000 0.000) 5.463 8.072 ( 0.837 0.000 0.000) 0.837 8.324 ( -11.512 0.000 0.000) 11.512 8.457 ( -4.446 0.000 0.000) 4.446 8.651 ( 1.245 0.000 0.000) 1.245 8.810 ( -2.472 0.000 0.000) 2.472 9.877 ( 4.170 0.000 0.000) 4.170 9.893 ( 0.069 0.000 0.000) 0.069 10.000 ( 5.441 0.000 0.000) 5.441 10.014 ( 0.242 0.000 0.000) 0.242 10.043 ( 3.544 0.000 0.000) 3.544 10.108 ( -0.684 0.000 0.000) 0.684 10.452 ( -2.381 0.000 0.000) 2.381 10.465 ( 1.167 0.000 0.000) 1.167 10.534 ( -8.906 0.000 0.000) 8.906 10.716 ( -2.374 0.000 0.000) 2.374 10.756 ( -3.639 0.000 0.000) 3.639 10.805 ( -6.651 0.000 0.000) 6.651 11.659 ( 5.999 0.000 0.000) 5.999 11.771 ( 0.332 0.000 0.000) 0.332 11.820 ( -0.512 0.000 0.000) 0.512 11.989 ( -4.548 0.000 0.000) 4.548 18.481 ( 5.682 0.000 0.000) 5.682 18.503 ( 0.475 0.000 0.000) 0.475 18.513 ( -0.689 0.000 0.000) 0.689 18.633 ( -2.867 0.000 0.000) 2.867 18.859 ( 6.329 0.000 0.000) 6.329 18.884 ( 2.523 0.000 0.000) 2.523 19.072 ( 11.895 0.000 0.000) 11.895 19.192 ( -5.969 0.000 0.000) 5.969 19.445 ( 5.375 0.000 0.000) 5.375 19.579 ( -7.411 0.000 0.000) 7.411 19.581 ( 10.547 0.000 0.000) 10.547 19.595 ( 8.598 0.000 0.000) 8.598 19.827 ( 5.777 0.000 0.000) 5.777 19.849 ( -1.305 0.000 0.000) 1.305 20.429 ( 7.220 0.000 0.000) 7.220 20.546 ( -12.579 0.000 0.000) 12.579 20.746 ( 16.301 0.000 0.000) 16.301 20.772 ( -12.179 0.000 0.000) 12.179 21.010 ( -0.667 0.000 0.000) 0.667 21.238 ( 4.812 0.000 0.000) 4.812 21.535 ( 1.034 0.000 0.000) 1.034 21.576 ( 3.103 0.000 0.000) 3.103 21.645 ( -9.600 0.000 0.000) 9.600 22.063 ( -9.920 0.000 0.000) 9.920 22.309 ( 11.604 0.000 0.000) 11.604 22.539 ( 2.413 0.000 0.000) 2.413 22.568 ( 3.155 0.000 0.000) 3.155 22.577 ( 1.055 0.000 0.000) 1.055 22.819 ( 7.351 0.000 0.000) 7.351 22.822 ( -0.026 0.000 0.000) 0.026 23.035 ( -5.495 0.000 0.000) 5.495 23.240 ( -6.096 0.000 0.000) 6.096 34.298 ( 9.914 0.000 0.000) 9.914 34.329 ( 9.558 0.000 0.000) 9.558 35.061 ( -12.785 0.000 0.000) 12.785 35.128 ( -14.075 0.000 0.000) 14.075 35.529 ( 2.129 0.000 0.000) 2.129 35.554 ( 2.778 0.000 0.000) 2.778 35.691 ( -2.531 0.000 0.000) 2.531 35.860 ( -8.843 0.000 0.000) 8.843 77.961 ( 1.436 0.000 0.000) 1.436 77.999 ( 1.715 0.000 0.000) 1.715 78.124 ( -1.336 0.000 0.000) 1.336 78.161 ( -2.551 0.000 0.000) 2.551 79.325 ( 14.024 0.000 0.000) 14.024 79.345 ( 4.349 0.000 0.000) 4.349 79.767 ( -10.774 0.000 0.000) 10.774 81.458 ( -71.106 0.000 0.000) 71.106 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 15.375 0.000 0.000) 15.375 1.769 ( 18.088 0.000 0.000) 18.088 1.937 ( -4.413 0.000 0.000) 4.413 2.059 ( -9.917 0.000 0.000) 9.917 2.108 ( 11.275 0.000 0.000) 11.275 2.194 ( 1.028 0.000 0.000) 1.028 2.312 ( 5.842 0.000 0.000) 5.842 2.337 ( 2.408 0.000 0.000) 2.408 2.440 ( 10.701 0.000 0.000) 10.701 2.463 ( -1.046 0.000 0.000) 1.046 2.515 ( -4.993 0.000 0.000) 4.993 2.536 ( 11.418 0.000 0.000) 11.418 2.907 ( -1.616 0.000 0.000) 1.616 2.985 ( 3.376 0.000 0.000) 3.376 2.996 ( 1.730 0.000 0.000) 1.730 3.096 ( -10.993 0.000 0.000) 10.993 3.154 ( 7.495 0.000 0.000) 7.495 3.368 ( 9.636 0.000 0.000) 9.636 3.402 ( -15.690 0.000 0.000) 15.690 3.536 ( -4.593 0.000 0.000) 4.593 3.707 ( 5.898 0.000 0.000) 5.898 3.757 ( 6.525 0.000 0.000) 6.525 3.814 ( -3.334 0.000 0.000) 3.334 3.912 ( -7.840 0.000 0.000) 7.840 3.931 ( 2.280 0.000 0.000) 2.280 3.979 ( -0.141 0.000 0.000) 0.141 3.979 ( 0.205 0.000 0.000) 0.205 3.980 ( -2.025 0.000 0.000) 2.025 4.303 ( 1.608 0.000 0.000) 1.608 4.340 ( -0.401 0.000 0.000) 0.401 4.368 ( -5.373 0.000 0.000) 5.373 4.417 ( -7.102 0.000 0.000) 7.102 4.953 ( -0.936 0.000 0.000) 0.936 5.043 ( 1.552 0.000 0.000) 1.552 5.043 ( -8.706 0.000 0.000) 8.706 5.129 ( -7.298 0.000 0.000) 7.298 5.266 ( 4.869 0.000 0.000) 4.869 5.340 ( 6.236 0.000 0.000) 6.236 5.396 ( -7.915 0.000 0.000) 7.915 5.528 ( -11.443 0.000 0.000) 11.443 6.598 ( 1.446 0.000 0.000) 1.446 6.604 ( 0.685 0.000 0.000) 0.685 6.810 ( 4.631 0.000 0.000) 4.631 6.862 ( 0.557 0.000 0.000) 0.557 7.012 ( 3.177 0.000 0.000) 3.177 7.092 ( -4.212 0.000 0.000) 4.212 7.272 ( 2.325 0.000 0.000) 2.325 7.320 ( -2.350 0.000 0.000) 2.350 7.853 ( 9.087 0.000 0.000) 9.087 8.016 ( 3.808 0.000 0.000) 3.808 8.064 ( -11.219 0.000 0.000) 11.219 8.070 ( -1.385 0.000 0.000) 1.385 8.210 ( 6.191 0.000 0.000) 6.191 8.346 ( -6.508 0.000 0.000) 6.508 8.691 ( 2.691 0.000 0.000) 2.691 8.752 ( -3.161 0.000 0.000) 3.161 9.912 ( 1.974 0.000 0.000) 1.974 9.968 ( -3.322 0.000 0.000) 3.322 9.983 ( 6.057 0.000 0.000) 6.057 10.079 ( -1.726 0.000 0.000) 1.726 10.088 ( 3.024 0.000 0.000) 3.024 10.116 ( 0.128 0.000 0.000) 0.128 10.370 ( -2.462 0.000 0.000) 2.462 10.394 ( -3.069 0.000 0.000) 3.069 10.566 ( 4.914 0.000 0.000) 4.914 10.677 ( -6.043 0.000 0.000) 6.043 10.685 ( -0.532 0.000 0.000) 0.532 10.699 ( -1.861 0.000 0.000) 1.861 11.777 ( 5.782 0.000 0.000) 5.782 11.781 ( 0.783 0.000 0.000) 0.783 11.802 ( -1.136 0.000 0.000) 1.136 11.889 ( -5.316 0.000 0.000) 5.316 18.510 ( 0.424 0.000 0.000) 0.424 18.518 ( -0.131 0.000 0.000) 0.131 18.520 ( 1.404 0.000 0.000) 1.404 18.567 ( -3.162 0.000 0.000) 3.162 18.960 ( 4.801 0.000 0.000) 4.801 19.063 ( 11.321 0.000 0.000) 11.321 19.069 ( -5.941 0.000 0.000) 5.941 19.206 ( 0.105 0.000 0.000) 0.105 19.441 ( -4.160 0.000 0.000) 4.160 19.454 ( -2.825 0.000 0.000) 2.825 19.719 ( 3.482 0.000 0.000) 3.482 19.730 ( 2.960 0.000 0.000) 2.960 19.968 ( 11.996 0.000 0.000) 11.996 20.004 ( 12.900 0.000 0.000) 12.900 20.255 ( -15.373 0.000 0.000) 15.373 20.303 ( -15.214 0.000 0.000) 15.214 20.803 ( 9.601 0.000 0.000) 9.601 20.957 ( -4.978 0.000 0.000) 4.978 21.079 ( 16.383 0.000 0.000) 16.383 21.351 ( 0.025 0.000 0.000) 0.025 21.417 ( -7.330 0.000 0.000) 7.330 21.497 ( -4.363 0.000 0.000) 4.363 21.672 ( 6.955 0.000 0.000) 6.955 21.853 ( -10.432 0.000 0.000) 10.432 22.552 ( 10.816 0.000 0.000) 10.816 22.579 ( 1.394 0.000 0.000) 1.394 22.591 ( 0.171 0.000 0.000) 0.171 22.636 ( 2.214 0.000 0.000) 2.214 22.810 ( -0.277 0.000 0.000) 0.277 22.892 ( -7.933 0.000 0.000) 7.933 22.963 ( 7.099 0.000 0.000) 7.099 23.106 ( -7.074 0.000 0.000) 7.074 34.532 ( 13.332 0.000 0.000) 13.332 34.545 ( 11.888 0.000 0.000) 11.888 34.798 ( -13.094 0.000 0.000) 13.094 34.824 ( -15.421 0.000 0.000) 15.421 35.578 ( 2.689 0.000 0.000) 2.689 35.620 ( 3.937 0.000 0.000) 3.937 35.635 ( -2.911 0.000 0.000) 2.911 35.716 ( -5.735 0.000 0.000) 5.735 78.008 ( 3.138 0.000 0.000) 3.138 78.044 ( 2.700 0.000 0.000) 2.700 78.076 ( -3.218 0.000 0.000) 3.218 78.103 ( -3.075 0.000 0.000) 3.075 79.443 ( 5.623 0.000 0.000) 5.623 79.578 ( -7.990 0.000 0.000) 7.990 79.689 ( 23.473 0.000 0.000) 23.473 80.331 ( -42.319 0.000 0.000) 42.319 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 10.379 0.000) 10.379 0.501 ( 0.000 23.401 0.000) 23.401 0.615 ( 0.000 29.924 0.000) 29.924 1.297 ( 0.000 6.004 0.000) 6.004 1.517 ( 0.000 12.997 0.000) 12.997 1.778 ( 0.000 -0.078 0.000) 0.078 1.816 ( 0.000 7.506 0.000) 7.506 2.181 ( 0.000 2.867 0.000) 2.867 2.258 ( 0.000 0.042 0.000) 0.042 2.349 ( 0.000 0.452 0.000) 0.452 2.441 ( 0.000 3.199 0.000) 3.199 2.586 ( 0.000 -4.096 0.000) 4.096 2.829 ( 0.000 2.080 0.000) 2.080 2.869 ( 0.000 -2.518 0.000) 2.518 2.918 ( 0.000 7.002 0.000) 7.002 2.971 ( 0.000 -3.267 0.000) 3.267 2.988 ( 0.000 2.498 0.000) 2.498 3.004 ( 0.000 0.729 0.000) 0.729 3.200 ( 0.000 8.239 0.000) 8.239 3.289 ( 0.000 -9.848 0.000) 9.848 3.473 ( 0.000 -2.936 0.000) 2.936 3.672 ( 0.000 -4.111 0.000) 4.111 3.765 ( 0.000 -4.603 0.000) 4.603 4.092 ( 0.000 -3.464 0.000) 3.464 4.110 ( 0.000 -11.230 0.000) 11.230 4.148 ( 0.000 -6.995 0.000) 6.995 4.484 ( 0.000 -3.373 0.000) 3.373 4.495 ( 0.000 -6.126 0.000) 6.126 4.642 ( 0.000 -10.007 0.000) 10.007 4.671 ( 0.000 -3.435 0.000) 3.435 4.785 ( 0.000 -6.805 0.000) 6.805 4.797 ( 0.000 -2.988 0.000) 2.988 5.054 ( 0.000 2.122 0.000) 2.122 5.244 ( 0.000 3.977 0.000) 3.977 5.484 ( 0.000 5.698 0.000) 5.698 5.565 ( 0.000 -2.028 0.000) 2.028 5.640 ( 0.000 7.254 0.000) 7.254 5.659 ( 0.000 1.729 0.000) 1.729 6.082 ( 0.000 0.852 0.000) 0.852 6.273 ( 0.000 -0.062 0.000) 0.062 6.303 ( 0.000 3.177 0.000) 3.177 6.490 ( 0.000 1.001 0.000) 1.001 6.599 ( 0.000 2.060 0.000) 2.060 6.639 ( 0.000 0.886 0.000) 0.886 6.738 ( 0.000 5.977 0.000) 5.977 7.243 ( 0.000 5.272 0.000) 5.272 7.502 ( 0.000 3.376 0.000) 3.376 7.528 ( 0.000 4.313 0.000) 4.313 7.537 ( 0.000 8.986 0.000) 8.986 7.713 ( 0.000 -1.639 0.000) 1.639 7.902 ( 0.000 -1.943 0.000) 1.943 8.081 ( 0.000 1.834 0.000) 1.834 8.251 ( 0.000 5.292 0.000) 5.292 8.529 ( 0.000 -2.969 0.000) 2.969 8.605 ( 0.000 -2.918 0.000) 2.918 9.270 ( 0.000 1.980 0.000) 1.980 9.759 ( 0.000 2.580 0.000) 2.580 9.799 ( 0.000 -1.940 0.000) 1.940 9.811 ( 0.000 -0.084 0.000) 0.084 9.943 ( 0.000 0.154 0.000) 0.154 10.002 ( 0.000 -0.851 0.000) 0.851 10.400 ( 0.000 -0.539 0.000) 0.539 10.445 ( 0.000 -4.963 0.000) 4.963 10.590 ( 0.000 -2.551 0.000) 2.551 10.918 ( 0.000 0.977 0.000) 0.977 10.918 ( 0.000 2.541 0.000) 2.541 11.091 ( 0.000 -1.135 0.000) 1.135 11.361 ( 0.000 -2.946 0.000) 2.946 11.498 ( 0.000 1.156 0.000) 1.156 11.613 ( 0.000 -3.414 0.000) 3.414 11.730 ( 0.000 -2.551 0.000) 2.551 12.101 ( 0.000 -2.801 0.000) 2.801 17.950 ( 0.000 3.976 0.000) 3.976 18.007 ( 0.000 3.042 0.000) 3.042 18.132 ( 0.000 9.103 0.000) 9.103 18.605 ( 0.000 4.491 0.000) 4.491 18.690 ( 0.000 9.439 0.000) 9.439 19.002 ( 0.000 -6.541 0.000) 6.541 19.088 ( 0.000 -4.932 0.000) 4.932 19.132 ( 0.000 -1.371 0.000) 1.371 19.272 ( 0.000 2.733 0.000) 2.733 19.324 ( 0.000 1.955 0.000) 1.955 19.353 ( 0.000 -6.165 0.000) 6.165 19.410 ( 0.000 1.376 0.000) 1.376 19.655 ( 0.000 9.867 0.000) 9.867 19.686 ( 0.000 8.606 0.000) 8.606 19.819 ( 0.000 -0.167 0.000) 0.167 20.112 ( 0.000 -3.500 0.000) 3.500 20.410 ( 0.000 -4.877 0.000) 4.877 20.973 ( 0.000 -10.440 0.000) 10.440 21.006 ( 0.000 -5.548 0.000) 5.548 21.090 ( 0.000 -10.170 0.000) 10.170 21.480 ( 0.000 0.394 0.000) 0.394 21.586 ( 0.000 3.457 0.000) 3.457 21.602 ( 0.000 6.667 0.000) 6.667 22.079 ( 0.000 -0.669 0.000) 0.669 22.328 ( 0.000 -2.587 0.000) 2.587 22.357 ( 0.000 -8.981 0.000) 8.981 22.465 ( 0.000 -3.604 0.000) 3.604 22.505 ( 0.000 -3.251 0.000) 3.251 22.758 ( 0.000 11.497 0.000) 11.497 22.942 ( 0.000 1.877 0.000) 1.877 23.095 ( 0.000 -1.723 0.000) 1.723 23.747 ( 0.000 -4.383 0.000) 4.383 34.015 ( 0.000 4.168 0.000) 4.168 34.047 ( 0.000 3.917 0.000) 3.917 35.361 ( 0.000 -8.890 0.000) 8.890 35.395 ( 0.000 -6.518 0.000) 6.518 35.544 ( 0.000 1.868 0.000) 1.868 35.573 ( 0.000 1.448 0.000) 1.448 35.776 ( 0.000 2.448 0.000) 2.448 36.312 ( 0.000 -6.639 0.000) 6.639 77.982 ( 0.000 2.156 0.000) 2.156 77.996 ( 0.000 2.685 0.000) 2.685 78.142 ( 0.000 3.202 0.000) 3.202 78.244 ( 0.000 1.311 0.000) 1.311 78.909 ( 0.000 -0.514 0.000) 0.514 79.184 ( 0.000 0.010 0.000) 0.010 80.193 ( 0.000 -8.107 0.000) 8.107 85.337 ( 0.000 -81.657 0.000) 81.657 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 20.379 3.849 0.000) 20.739 0.640 ( 14.679 18.600 0.000) 23.694 0.922 ( 23.950 19.595 0.000) 30.944 1.414 ( 5.115 7.719 0.000) 9.260 1.608 ( 9.231 12.183 0.000) 15.285 1.744 ( -0.285 -0.914 0.000) 0.958 1.925 ( 7.642 8.045 0.000) 11.096 2.186 ( 0.865 0.450 0.000) 0.975 2.284 ( 1.931 1.801 0.000) 2.640 2.371 ( 1.322 -1.155 0.000) 1.756 2.447 ( 1.447 1.762 0.000) 2.280 2.577 ( -0.776 -4.204 0.000) 4.275 2.833 ( -1.141 -2.734 0.000) 2.963 2.859 ( 2.384 2.492 0.000) 3.449 2.920 ( 0.662 7.374 0.000) 7.404 2.984 ( 2.372 -0.619 0.000) 2.451 3.041 ( 3.936 2.291 0.000) 4.555 3.093 ( 7.892 -1.363 0.000) 8.009 3.219 ( 2.548 3.306 0.000) 4.174 3.343 ( 4.712 -4.540 0.000) 6.543 3.387 ( -6.612 -0.250 0.000) 6.617 3.701 ( 1.677 -5.147 0.000) 5.413 3.786 ( 1.275 -4.281 0.000) 4.466 4.038 ( -1.867 -4.362 0.000) 4.745 4.084 ( -2.565 -10.574 0.000) 10.880 4.164 ( -0.134 -4.190 0.000) 4.193 4.417 ( -7.571 -5.181 0.000) 9.174 4.448 ( -3.535 -3.073 0.000) 4.684 4.543 ( -8.819 -8.734 0.000) 12.412 4.646 ( -3.009 -3.786 0.000) 4.837 4.758 ( -2.780 -6.926 0.000) 7.463 4.764 ( -3.404 -2.560 0.000) 4.259 5.006 ( -1.607 5.569 0.000) 5.796 5.234 ( -0.943 3.766 0.000) 3.882 5.468 ( -1.692 5.111 0.000) 5.384 5.525 ( -4.406 -1.413 0.000) 4.627 5.609 ( -6.197 1.287 0.000) 6.330 5.614 ( -2.696 6.806 0.000) 7.320 6.005 ( -7.311 0.595 0.000) 7.336 6.205 ( -6.528 -0.479 0.000) 6.546 6.350 ( 4.616 2.531 0.000) 5.264 6.521 ( 2.479 2.012 0.000) 3.193 6.633 ( 2.684 3.176 0.000) 4.158 6.640 ( 0.333 1.188 0.000) 1.234 6.801 ( 5.272 4.371 0.000) 6.848 7.247 ( 0.298 5.149 0.000) 5.157 7.433 ( -5.041 4.279 0.000) 6.613 7.516 ( -1.503 8.285 0.000) 8.421 7.564 ( 2.290 3.532 0.000) 4.210 7.750 ( 2.704 -2.325 0.000) 3.566 7.919 ( 1.664 -1.302 0.000) 2.113 8.070 ( -0.787 1.502 0.000) 1.695 8.374 ( 6.691 -3.138 0.000) 7.390 8.520 ( -0.982 -3.148 0.000) 3.298 8.603 ( -0.107 -3.092 0.000) 3.093 9.144 ( -9.365 7.806 0.000) 12.192 9.794 ( 2.410 1.272 0.000) 2.725 9.813 ( 1.276 1.253 0.000) 1.788 9.833 ( 3.165 -2.514 0.000) 4.042 9.938 ( -0.519 0.406 0.000) 0.659 9.979 ( -1.691 -0.621 0.000) 1.801 10.360 ( -7.281 4.966 0.000) 8.813 10.434 ( -2.112 3.840 0.000) 4.382 10.445 ( 0.002 -4.787 0.000) 4.787 10.880 ( -3.395 3.360 0.000) 4.777 10.899 ( -1.566 0.390 0.000) 1.614 11.047 ( -4.065 -0.662 0.000) 4.119 11.207 ( -17.685 6.070 0.000) 18.697 11.409 ( 4.264 -2.607 0.000) 4.998 11.710 ( 4.610 -3.151 0.000) 5.584 11.731 ( 0.070 -2.735 0.000) 2.736 12.087 ( -1.708 -3.157 0.000) 3.590 18.057 ( 10.035 3.778 0.000) 10.723 18.199 ( 14.302 0.864 0.000) 14.328 18.489 ( 15.428 -3.220 0.000) 15.761 18.640 ( 2.236 2.750 0.000) 3.544 18.694 ( 0.403 10.425 0.000) 10.433 18.940 ( -6.834 0.259 0.000) 6.839 18.982 ( -2.624 -4.179 0.000) 4.934 19.152 ( 1.688 -1.505 0.000) 2.262 19.206 ( 1.352 3.399 0.000) 3.658 19.270 ( 4.719 3.140 0.000) 5.668 19.514 ( 1.135 0.316 0.000) 1.178 19.673 ( 4.586 6.228 0.000) 7.734 19.738 ( 8.173 0.142 0.000) 8.175 19.795 ( -2.150 -0.123 0.000) 2.153 20.143 ( 36.297 -30.346 0.000) 47.311 20.176 ( 6.397 -1.777 0.000) 6.639 20.335 ( -6.183 -5.186 0.000) 8.070 20.925 ( -2.373 -7.813 0.000) 8.166 21.034 ( 0.259 -11.803 0.000) 11.805 21.112 ( 0.176 -11.279 0.000) 11.281 21.466 ( -2.273 1.575 0.000) 2.766 21.557 ( -1.356 6.714 0.000) 6.849 21.615 ( 2.967 0.236 0.000) 2.977 22.020 ( -4.695 -1.754 0.000) 5.012 22.326 ( -2.893 -6.576 0.000) 7.184 22.392 ( 4.861 -2.802 0.000) 5.611 22.468 ( 0.608 -4.138 0.000) 4.182 22.516 ( 0.993 -3.077 0.000) 3.233 22.737 ( -1.313 10.679 0.000) 10.760 22.942 ( -0.275 4.604 0.000) 4.612 23.099 ( 0.125 -1.768 0.000) 1.772 23.571 ( -11.160 4.357 0.000) 11.980 34.075 ( 4.636 2.457 0.000) 5.247 34.077 ( 2.955 3.671 0.000) 4.713 35.337 ( -2.851 -8.971 0.000) 9.413 35.382 ( -1.723 -6.981 0.000) 7.191 35.526 ( -1.483 2.256 0.000) 2.700 35.545 ( -2.072 2.377 0.000) 3.153 35.771 ( -0.659 1.806 0.000) 1.923 36.228 ( -7.822 -5.567 0.000) 9.601 77.977 ( -0.493 2.072 0.000) 2.130 77.991 ( -0.367 2.239 0.000) 2.269 78.152 ( 0.798 3.220 0.000) 3.317 78.237 ( -0.748 1.201 0.000) 1.415 78.954 ( 4.467 -0.640 0.000) 4.513 79.205 ( 1.994 -0.101 0.000) 1.997 80.116 ( -7.232 -7.652 0.000) 10.528 84.424 ( -75.446 -59.606 0.000) 96.151 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 21.152 0.526 0.000) 21.158 1.004 ( 19.841 9.221 0.000) 21.879 1.433 ( 17.560 10.299 0.000) 20.357 1.501 ( 13.169 1.707 0.000) 13.279 1.788 ( 4.965 -3.420 0.000) 6.029 1.848 ( 13.353 12.198 0.000) 18.086 2.094 ( 8.743 9.188 0.000) 12.683 2.226 ( 3.082 -0.263 0.000) 3.093 2.308 ( 0.109 1.077 0.000) 1.082 2.378 ( -0.731 -5.520 0.000) 5.568 2.508 ( 4.422 0.807 0.000) 4.496 2.556 ( -1.331 -4.629 0.000) 4.816 2.819 ( -0.395 0.002 0.000) 0.395 2.901 ( 1.688 2.688 0.000) 3.174 2.980 ( 4.367 6.287 0.000) 7.655 3.074 ( 6.158 1.839 0.000) 6.427 3.103 ( 1.835 -0.386 0.000) 1.875 3.289 ( -1.777 4.388 0.000) 4.734 3.294 ( 10.085 -2.986 0.000) 10.518 3.323 ( 9.095 1.407 0.000) 9.203 3.458 ( 6.349 -0.438 0.000) 6.364 3.728 ( 1.589 -4.762 0.000) 5.020 3.810 ( 1.073 -2.507 0.000) 2.727 4.005 ( -5.547 -7.841 0.000) 9.604 4.018 ( -0.865 -2.009 0.000) 2.187 4.144 ( -1.769 -2.276 0.000) 2.882 4.202 ( -13.244 -3.880 0.000) 13.801 4.324 ( -11.893 -6.833 0.000) 13.716 4.359 ( -4.589 -1.659 0.000) 4.880 4.552 ( -6.242 -2.549 0.000) 6.743 4.660 ( -6.822 -1.606 0.000) 7.008 4.668 ( -6.331 -7.157 0.000) 9.555 5.004 ( 1.159 4.416 0.000) 4.565 5.210 ( -1.341 3.381 0.000) 3.637 5.383 ( -9.566 2.925 0.000) 10.003 5.409 ( -4.514 4.067 0.000) 6.076 5.458 ( -7.299 1.100 0.000) 7.382 5.525 ( -6.325 5.908 0.000) 8.655 5.811 ( -11.400 0.080 0.000) 11.401 6.021 ( -11.423 -0.518 0.000) 11.434 6.462 ( 5.924 2.058 0.000) 6.271 6.574 ( 2.654 3.274 0.000) 4.215 6.664 ( 2.191 1.681 0.000) 2.761 6.706 ( 4.579 3.300 0.000) 5.644 6.910 ( 5.011 2.958 0.000) 5.819 7.253 ( 0.196 4.679 0.000) 4.684 7.327 ( -4.878 5.001 0.000) 6.986 7.480 ( -2.107 7.080 0.000) 7.387 7.626 ( 4.071 2.939 0.000) 5.021 7.814 ( 3.672 -2.535 0.000) 4.462 7.974 ( 3.872 -0.239 0.000) 3.879 8.060 ( -0.091 0.460 0.000) 0.469 8.426 ( -1.725 -3.484 0.000) 3.887 8.487 ( -2.304 -3.458 0.000) 4.155 8.602 ( 0.052 -3.395 0.000) 3.396 8.962 ( -8.344 5.626 0.000) 10.063 9.817 ( 1.525 -0.161 0.000) 1.533 9.897 ( 4.440 2.438 0.000) 5.065 9.911 ( 4.032 -3.490 0.000) 5.333 9.927 ( 0.488 0.898 0.000) 1.022 9.962 ( 0.466 -1.241 0.000) 1.325 10.241 ( -3.986 5.685 0.000) 6.944 10.442 ( -0.354 -4.048 0.000) 4.063 10.449 ( 1.696 1.737 0.000) 2.427 10.802 ( -3.949 2.602 0.000) 4.729 10.850 ( -5.224 2.423 0.000) 5.759 10.875 ( -13.050 6.721 0.000) 14.679 10.946 ( -5.608 0.714 0.000) 5.654 11.512 ( 5.578 -2.606 0.000) 6.157 11.732 ( -0.004 -3.161 0.000) 3.161 11.769 ( 1.318 -3.900 0.000) 4.117 12.035 ( -3.338 -3.214 0.000) 4.634 18.307 ( 13.410 3.509 0.000) 13.861 18.437 ( 7.003 -0.566 0.000) 7.026 18.635 ( -1.265 6.481 0.000) 6.604 18.650 ( -0.808 -0.777 0.000) 1.121 18.807 ( 13.456 4.282 0.000) 14.121 18.872 ( 0.375 0.388 0.000) 0.540 18.925 ( -2.329 5.437 0.000) 5.915 19.238 ( 4.848 -1.166 0.000) 4.987 19.318 ( 6.959 1.449 0.000) 7.108 19.408 ( 8.638 2.968 0.000) 9.134 19.472 ( -0.245 2.649 0.000) 2.660 19.716 ( -4.232 1.020 0.000) 4.353 19.779 ( 4.331 5.297 0.000) 6.842 19.891 ( 2.838 -2.244 0.000) 3.618 20.235 ( 0.117 -3.332 0.000) 3.334 20.387 ( 13.614 -5.145 0.000) 14.554 20.587 ( 8.588 -13.320 0.000) 15.848 20.900 ( 0.434 -12.303 0.000) 12.310 21.002 ( -11.070 -7.072 0.000) 13.136 21.008 ( -1.441 -12.577 0.000) 12.659 21.438 ( 0.240 0.538 0.000) 0.589 21.593 ( 3.898 4.165 0.000) 5.705 21.695 ( 3.504 -4.274 0.000) 5.527 21.935 ( -2.680 -6.077 0.000) 6.642 22.254 ( -3.743 -3.338 0.000) 5.015 22.442 ( 0.525 -3.586 0.000) 3.624 22.523 ( 3.974 -3.436 0.000) 5.254 22.539 ( 1.134 -2.830 0.000) 3.049 22.739 ( 2.020 6.789 0.000) 7.083 22.928 ( -1.057 6.432 0.000) 6.518 23.086 ( -1.692 -1.839 0.000) 2.499 23.389 ( -7.559 2.524 0.000) 7.969 34.166 ( 5.972 3.000 0.000) 6.683 34.187 ( 6.641 2.272 0.000) 7.018 35.226 ( -8.241 -6.535 0.000) 10.518 35.296 ( -7.429 -6.132 0.000) 9.633 35.509 ( 0.134 1.480 0.000) 1.486 35.524 ( 0.273 1.454 0.000) 1.480 35.745 ( -1.915 0.898 0.000) 2.115 36.034 ( -10.463 -3.301 0.000) 10.972 77.968 ( -0.160 1.850 0.000) 1.857 77.987 ( 0.156 1.347 0.000) 1.356 78.165 ( 0.248 2.988 0.000) 2.998 78.212 ( -1.725 0.902 0.000) 1.946 79.085 ( 8.564 -1.071 0.000) 8.630 79.260 ( 3.286 -0.391 0.000) 3.309 79.929 ( -10.635 -6.346 0.000) 12.384 82.743 ( -84.538 -37.812 0.000) 92.609 ======================= Grid point 12 (9/50) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 16.427 -5.204 0.000) 17.231 1.393 ( 17.776 2.659 0.000) 17.974 1.548 ( 5.641 -14.896 0.000) 15.928 1.950 ( 10.914 -4.235 0.000) 11.707 2.013 ( 24.528 4.957 0.000) 25.024 2.112 ( 13.326 12.198 0.000) 18.066 2.211 ( -1.819 2.046 0.000) 2.738 2.292 ( 6.543 7.346 0.000) 9.837 2.327 ( 2.405 -0.837 0.000) 2.547 2.346 ( -1.990 -5.837 0.000) 6.167 2.525 ( -1.654 -4.982 0.000) 5.250 2.610 ( 4.337 3.375 0.000) 5.495 2.828 ( 2.104 -0.530 0.000) 2.170 2.946 ( 3.414 3.439 0.000) 4.846 3.012 ( 0.419 4.510 0.000) 4.529 3.181 ( 1.965 1.962 0.000) 2.777 3.181 ( 2.275 2.155 0.000) 3.133 3.272 ( 1.665 3.951 0.000) 4.287 3.451 ( 6.405 -3.395 0.000) 7.249 3.562 ( 9.538 1.335 0.000) 9.631 3.583 ( 6.789 -0.384 0.000) 6.800 3.785 ( 3.860 -1.719 0.000) 4.225 3.807 ( -14.444 -0.295 0.000) 14.447 3.843 ( 2.857 -1.241 0.000) 3.115 3.982 ( -2.963 -1.131 0.000) 3.171 3.989 ( -4.849 -5.137 0.000) 7.064 4.092 ( -3.487 0.450 0.000) 3.516 4.105 ( -8.934 -1.895 0.000) 9.133 4.297 ( -1.069 0.167 0.000) 1.082 4.410 ( -7.168 -1.581 0.000) 7.341 4.504 ( -8.151 -0.961 0.000) 8.207 4.513 ( -8.466 -6.553 0.000) 10.706 5.040 ( 1.480 3.192 0.000) 3.519 5.138 ( -7.188 5.196 0.000) 8.869 5.248 ( -0.541 3.408 0.000) 3.451 5.277 ( -8.566 3.762 0.000) 9.356 5.336 ( -3.967 1.237 0.000) 4.155 5.361 ( -9.709 5.016 0.000) 10.928 5.582 ( -10.474 -0.062 0.000) 10.474 5.773 ( -12.614 -0.263 0.000) 12.617 6.569 ( 4.411 2.433 0.000) 5.037 6.622 ( 1.957 3.877 0.000) 4.343 6.730 ( 4.263 1.637 0.000) 4.566 6.804 ( 4.670 1.527 0.000) 4.914 6.992 ( 3.177 2.973 0.000) 4.351 7.217 ( -3.934 4.163 0.000) 5.728 7.286 ( 0.979 5.027 0.000) 5.122 7.432 ( -2.624 6.010 0.000) 6.558 7.730 ( 6.319 2.759 0.000) 6.895 7.895 ( 4.281 -3.028 0.000) 5.243 8.061 ( -0.111 -1.132 0.000) 1.137 8.073 ( 5.824 0.454 0.000) 5.842 8.310 ( -9.229 -0.541 0.000) 9.245 8.426 ( -3.852 -3.024 0.000) 4.897 8.610 ( 0.930 -3.808 0.000) 3.919 8.819 ( -5.916 0.156 0.000) 5.918 9.867 ( 3.155 -0.358 0.000) 3.175 9.911 ( 0.642 1.261 0.000) 1.415 9.963 ( 0.733 -3.559 0.000) 3.634 10.001 ( 2.699 -1.777 0.000) 3.232 10.022 ( 5.458 1.833 0.000) 5.758 10.196 ( -0.500 4.531 0.000) 4.559 10.426 ( -1.396 -2.681 0.000) 3.023 10.465 ( -2.206 -0.630 0.000) 2.294 10.628 ( -6.539 8.874 0.000) 11.023 10.732 ( -2.878 1.996 0.000) 3.503 10.787 ( -3.499 3.192 0.000) 4.736 10.832 ( -5.524 2.460 0.000) 6.047 11.624 ( 5.478 -3.214 0.000) 6.351 11.734 ( 0.367 -3.464 0.000) 3.483 11.771 ( -0.834 -4.473 0.000) 4.550 11.957 ( -4.373 -3.089 0.000) 5.354 18.509 ( 4.503 2.622 0.000) 5.211 18.521 ( 2.808 2.597 0.000) 3.825 18.588 ( -2.289 5.864 0.000) 6.295 18.659 ( 1.794 2.283 0.000) 2.904 18.894 ( 2.778 0.905 0.000) 2.921 18.917 ( 3.274 5.447 0.000) 6.355 19.094 ( 11.583 2.060 0.000) 11.764 19.218 ( -5.047 2.390 0.000) 5.585 19.440 ( 5.048 -0.312 0.000) 5.057 19.591 ( 0.906 1.528 0.000) 1.776 19.596 ( 7.983 0.031 0.000) 7.983 19.602 ( 1.242 1.609 0.000) 2.033 19.874 ( 5.327 4.322 0.000) 6.860 19.875 ( -0.079 2.343 0.000) 2.344 20.349 ( 7.906 -7.049 0.000) 10.592 20.526 ( -11.017 -1.950 0.000) 11.189 20.667 ( 4.814 -5.491 0.000) 7.302 20.781 ( 0.016 -1.922 0.000) 1.922 20.930 ( -0.456 -8.186 0.000) 8.199 21.056 ( 6.805 -15.899 0.000) 17.294 21.439 ( -0.678 -2.585 0.000) 2.672 21.654 ( -7.450 0.797 0.000) 7.493 21.677 ( 3.854 3.980 0.000) 5.540 21.934 ( -0.622 -8.955 0.000) 8.976 22.237 ( 4.526 -4.692 0.000) 6.519 22.461 ( 1.661 -4.839 0.000) 5.116 22.557 ( 0.515 -3.102 0.000) 3.145 22.586 ( 2.121 -2.648 0.000) 3.393 22.807 ( 3.907 0.870 0.000) 4.003 22.902 ( -1.570 5.275 0.000) 5.503 23.031 ( -3.372 -0.582 0.000) 3.422 23.244 ( -7.113 0.116 0.000) 7.114 34.318 ( 9.244 1.945 0.000) 9.446 34.345 ( 9.096 1.636 0.000) 9.242 35.024 ( -11.385 -3.468 0.000) 11.901 35.087 ( -12.872 -3.838 0.000) 13.432 35.530 ( 1.804 0.214 0.000) 1.817 35.551 ( 2.257 -0.056 0.000) 2.258 35.696 ( -2.830 0.294 0.000) 2.845 35.842 ( -8.257 -1.625 0.000) 8.415 77.977 ( 1.221 1.513 0.000) 1.944 78.001 ( 1.243 0.490 0.000) 1.336 78.153 ( -1.571 2.457 0.000) 2.916 78.167 ( -2.673 0.586 0.000) 2.736 79.301 ( 13.262 -2.049 0.000) 13.419 79.334 ( 4.051 -0.886 0.000) 4.147 79.718 ( -9.822 -4.556 0.000) 10.827 81.235 ( -63.258 -20.114 0.000) 66.379 ======================= Grid point 13 (10/50) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 7.204 -14.314 0.000) 16.025 1.579 ( 1.606 -17.376 0.000) 17.451 1.779 ( 15.107 -6.419 0.000) 16.414 2.036 ( -9.103 -5.727 0.000) 10.755 2.231 ( 8.942 3.498 0.000) 9.602 2.287 ( 5.968 8.729 0.000) 10.574 2.317 ( 0.437 -4.452 0.000) 4.474 2.346 ( 0.425 0.635 0.000) 0.764 2.424 ( 7.567 2.944 0.000) 8.120 2.472 ( 4.227 1.014 0.000) 4.347 2.486 ( 3.652 1.866 0.000) 4.101 2.642 ( -0.794 4.940 0.000) 5.003 2.907 ( 4.865 0.419 0.000) 4.883 3.026 ( 3.188 3.583 0.000) 4.796 3.039 ( 1.468 3.893 0.000) 4.160 3.114 ( -9.762 1.703 0.000) 9.909 3.136 ( 3.988 -0.777 0.000) 4.063 3.369 ( -15.592 -3.333 0.000) 15.944 3.419 ( 8.814 4.042 0.000) 9.696 3.553 ( -2.884 1.878 0.000) 3.442 3.712 ( 5.085 -0.237 0.000) 5.091 3.767 ( 6.404 0.800 0.000) 6.454 3.811 ( -3.154 0.020 0.000) 3.154 3.895 ( -3.787 -1.634 0.000) 4.125 3.932 ( 2.747 0.509 0.000) 2.794 3.980 ( 1.193 0.398 0.000) 1.258 4.002 ( -0.915 1.879 0.000) 2.090 4.025 ( -1.632 2.896 0.000) 3.324 4.304 ( 1.293 0.261 0.000) 1.319 4.310 ( -1.448 -2.393 0.000) 2.797 4.362 ( -5.157 -0.514 0.000) 5.182 4.364 ( -5.758 -4.510 0.000) 7.314 5.013 ( -0.853 5.027 0.000) 5.099 5.075 ( 0.928 2.988 0.000) 3.129 5.095 ( -8.165 4.469 0.000) 9.308 5.167 ( -8.214 3.390 0.000) 8.886 5.296 ( 4.060 2.550 0.000) 4.795 5.355 ( 6.179 1.262 0.000) 6.307 5.407 ( -7.057 0.957 0.000) 7.121 5.535 ( -10.826 0.595 0.000) 10.843 6.633 ( 1.879 3.107 0.000) 3.631 6.647 ( 0.399 3.719 0.000) 3.741 6.819 ( 4.018 0.790 0.000) 4.095 6.863 ( 0.365 0.048 0.000) 0.368 7.053 ( 3.482 3.928 0.000) 5.249 7.134 ( -4.232 4.046 0.000) 5.855 7.323 ( 2.418 4.777 0.000) 5.354 7.377 ( -2.824 5.182 0.000) 5.901 7.882 ( 8.920 2.683 0.000) 9.315 7.979 ( 3.816 -3.210 0.000) 4.987 8.042 ( -2.013 -2.569 0.000) 3.264 8.087 ( -10.614 1.996 0.000) 10.800 8.208 ( 6.044 -0.322 0.000) 6.052 8.330 ( -5.618 -1.627 0.000) 5.849 8.646 ( 2.754 -4.001 0.000) 4.857 8.718 ( -4.275 -3.055 0.000) 5.255 9.908 ( 1.583 -0.254 0.000) 1.604 9.946 ( -1.920 -1.659 0.000) 2.538 9.976 ( 4.590 -0.232 0.000) 4.596 10.033 ( -0.267 -1.752 0.000) 1.772 10.118 ( 4.163 1.994 0.000) 4.616 10.189 ( -1.940 3.308 0.000) 3.835 10.371 ( -2.644 -0.176 0.000) 2.650 10.386 ( -2.321 -1.126 0.000) 2.580 10.626 ( 3.180 5.921 0.000) 6.721 10.688 ( -1.972 2.275 0.000) 3.011 10.729 ( -1.948 3.136 0.000) 3.692 10.735 ( -3.412 4.005 0.000) 5.261 11.713 ( 2.509 -4.885 0.000) 5.492 11.746 ( -1.440 -4.920 0.000) 5.127 11.767 ( 3.775 -2.544 0.000) 4.552 11.862 ( -4.984 -2.787 0.000) 5.710 18.540 ( 0.488 2.665 0.000) 2.710 18.554 ( -0.998 4.083 0.000) 4.203 18.578 ( 3.032 5.304 0.000) 6.110 18.643 ( -2.972 6.285 0.000) 6.952 18.966 ( 4.204 0.582 0.000) 4.244 19.029 ( 1.270 -0.438 0.000) 1.344 19.158 ( 3.634 5.652 0.000) 6.719 19.243 ( 1.847 3.502 0.000) 3.959 19.454 ( -4.980 1.122 0.000) 5.105 19.458 ( -2.384 0.361 0.000) 2.411 19.712 ( 3.585 -0.556 0.000) 3.628 19.727 ( 2.626 -0.208 0.000) 2.635 19.992 ( 11.006 2.175 0.000) 11.219 20.035 ( 11.390 2.767 0.000) 11.722 20.258 ( -14.313 0.381 0.000) 14.318 20.298 ( -12.731 -0.670 0.000) 12.748 20.700 ( 8.901 -8.083 0.000) 12.023 20.864 ( -6.007 -8.154 0.000) 10.128 21.057 ( 14.692 -5.739 0.000) 15.773 21.189 ( 3.665 -14.486 0.000) 14.943 21.406 ( -2.129 -2.547 0.000) 3.319 21.462 ( -9.583 3.823 0.000) 10.317 21.751 ( 4.025 3.694 0.000) 5.463 21.852 ( -5.778 -0.625 0.000) 5.812 22.414 ( 9.962 -9.443 0.000) 13.726 22.500 ( 1.431 -6.021 0.000) 6.188 22.558 ( -0.257 -4.317 0.000) 4.324 22.590 ( -2.453 -6.354 0.000) 6.811 22.853 ( 0.191 -0.047 0.000) 0.197 22.867 ( -1.591 3.727 0.000) 4.053 23.005 ( 2.464 1.575 0.000) 2.924 23.105 ( -6.448 -0.170 0.000) 6.450 34.536 ( 12.410 0.453 0.000) 12.418 34.549 ( 11.130 0.419 0.000) 11.138 34.785 ( -12.089 -1.256 0.000) 12.154 34.808 ( -14.261 -1.516 0.000) 14.342 35.576 ( 2.670 -0.175 0.000) 2.676 35.610 ( 3.225 -0.752 0.000) 3.312 35.637 ( -2.539 -0.018 0.000) 2.539 35.705 ( -5.557 -1.003 0.000) 5.647 78.018 ( 2.561 0.930 0.000) 2.725 78.034 ( 1.616 -0.207 0.000) 1.629 78.106 ( -2.499 2.112 0.000) 3.271 78.111 ( -2.588 0.738 0.000) 2.691 79.424 ( 5.125 -1.671 0.000) 5.391 79.546 ( -7.152 -2.910 0.000) 7.722 79.642 ( 21.569 -4.270 0.000) 21.987 80.226 ( -38.180 -9.488 0.000) 39.341 ======================= Grid point 18 (11/50) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 16.021 0.000) 16.021 0.979 ( 0.000 21.739 0.000) 21.739 1.226 ( 0.000 26.246 0.000) 26.246 1.464 ( 0.000 9.190 0.000) 9.190 1.801 ( 0.000 2.790 0.000) 2.790 1.816 ( 0.000 13.048 0.000) 13.048 1.952 ( 0.000 0.023 0.000) 0.023 2.216 ( 0.000 2.292 0.000) 2.292 2.284 ( 0.000 2.854 0.000) 2.854 2.382 ( 0.000 2.303 0.000) 2.303 2.510 ( 0.000 4.259 0.000) 4.259 2.555 ( 0.000 2.525 0.000) 2.525 2.801 ( 0.000 -3.554 0.000) 3.554 2.838 ( 0.000 -1.331 0.000) 1.331 2.862 ( 0.000 -6.706 0.000) 6.706 3.049 ( 0.000 -11.240 0.000) 11.240 3.068 ( 0.000 5.379 0.000) 5.379 3.077 ( 0.000 5.361 0.000) 5.361 3.151 ( 0.000 14.234 0.000) 14.234 3.374 ( 0.000 -6.720 0.000) 6.720 3.402 ( 0.000 10.072 0.000) 10.072 3.568 ( 0.000 -4.947 0.000) 4.947 3.639 ( 0.000 -6.927 0.000) 6.927 3.844 ( 0.000 -12.469 0.000) 12.469 3.958 ( 0.000 -10.407 0.000) 10.407 4.007 ( 0.000 -3.929 0.000) 3.929 4.322 ( 0.000 -9.642 0.000) 9.642 4.369 ( 0.000 -7.530 0.000) 7.530 4.399 ( 0.000 -11.119 0.000) 11.119 4.552 ( 0.000 -7.522 0.000) 7.522 4.584 ( 0.000 -11.996 0.000) 11.996 4.684 ( 0.000 -7.654 0.000) 7.654 5.124 ( 0.000 4.615 0.000) 4.615 5.335 ( 0.000 4.243 0.000) 4.243 5.524 ( 0.000 -2.029 0.000) 2.029 5.646 ( 0.000 8.990 0.000) 8.990 5.668 ( 0.000 -1.241 0.000) 1.241 5.822 ( 0.000 9.214 0.000) 9.214 6.093 ( 0.000 -0.109 0.000) 0.109 6.263 ( 0.000 -1.055 0.000) 1.055 6.410 ( 0.000 6.741 0.000) 6.741 6.520 ( 0.000 1.759 0.000) 1.759 6.655 ( 0.000 2.911 0.000) 2.911 6.657 ( 0.000 0.430 0.000) 0.430 6.908 ( 0.000 9.739 0.000) 9.739 7.404 ( 0.000 9.769 0.000) 9.769 7.619 ( 0.000 7.726 0.000) 7.726 7.650 ( 0.000 6.802 0.000) 6.802 7.654 ( 0.000 -4.140 0.000) 4.140 7.713 ( 0.000 6.101 0.000) 6.101 7.849 ( 0.000 -2.850 0.000) 2.850 8.116 ( 0.000 1.110 0.000) 1.110 8.413 ( 0.000 9.963 0.000) 9.963 8.428 ( 0.000 -6.682 0.000) 6.682 8.507 ( 0.000 -6.493 0.000) 6.493 9.305 ( 0.000 -0.229 0.000) 0.229 9.762 ( 0.000 -0.577 0.000) 0.577 9.817 ( 0.000 0.848 0.000) 0.848 9.827 ( 0.000 3.460 0.000) 3.460 9.954 ( 0.000 0.993 0.000) 0.993 9.978 ( 0.000 -1.401 0.000) 1.401 10.317 ( 0.000 -6.849 0.000) 6.849 10.387 ( 0.000 -0.620 0.000) 0.620 10.510 ( 0.000 -4.494 0.000) 4.494 10.945 ( 0.000 3.097 0.000) 3.097 10.969 ( 0.000 0.537 0.000) 0.537 11.118 ( 0.000 4.399 0.000) 4.399 11.275 ( 0.000 -5.007 0.000) 5.007 11.510 ( 0.000 -6.149 0.000) 6.149 11.538 ( 0.000 2.761 0.000) 2.761 11.651 ( 0.000 -4.832 0.000) 4.832 12.015 ( 0.000 -5.243 0.000) 5.243 18.067 ( 0.000 6.909 0.000) 6.909 18.117 ( 0.000 7.104 0.000) 7.104 18.391 ( 0.000 15.300 0.000) 15.300 18.739 ( 0.000 8.019 0.000) 8.019 18.801 ( 0.000 -2.323 0.000) 2.323 18.818 ( 0.000 -10.050 0.000) 10.050 19.087 ( 0.000 5.779 0.000) 5.779 19.089 ( 0.000 -1.639 0.000) 1.639 19.242 ( 0.000 -4.298 0.000) 4.298 19.355 ( 0.000 5.679 0.000) 5.679 19.426 ( 0.000 5.909 0.000) 5.909 19.439 ( 0.000 0.913 0.000) 0.913 19.829 ( 0.000 1.432 0.000) 1.432 19.864 ( 0.000 7.855 0.000) 7.855 19.895 ( 0.000 12.015 0.000) 12.015 19.915 ( 0.000 -11.489 0.000) 11.489 20.407 ( 0.000 2.346 0.000) 2.346 20.662 ( 0.000 -18.197 0.000) 18.197 20.849 ( 0.000 -12.100 0.000) 12.100 20.851 ( 0.000 -8.887 0.000) 8.887 21.535 ( 0.000 4.789 0.000) 4.789 21.672 ( 0.000 4.385 0.000) 4.385 21.736 ( 0.000 5.642 0.000) 5.642 22.062 ( 0.000 -0.714 0.000) 0.714 22.139 ( 0.000 -10.841 0.000) 10.841 22.263 ( 0.000 -3.484 0.000) 3.484 22.359 ( 0.000 -6.205 0.000) 6.205 22.396 ( 0.000 -6.522 0.000) 6.522 22.962 ( 0.000 6.685 0.000) 6.685 23.005 ( 0.000 4.077 0.000) 4.077 23.053 ( 0.000 -1.950 0.000) 1.950 23.621 ( 0.000 -7.351 0.000) 7.351 34.144 ( 0.000 8.034 0.000) 8.034 34.168 ( 0.000 7.491 0.000) 7.491 35.135 ( 0.000 -12.030 0.000) 12.030 35.197 ( 0.000 -11.947 0.000) 11.947 35.603 ( 0.000 3.618 0.000) 3.618 35.617 ( 0.000 2.606 0.000) 2.606 35.808 ( 0.000 0.446 0.000) 0.446 36.144 ( 0.000 -8.585 0.000) 8.585 78.047 ( 0.000 3.889 0.000) 3.889 78.076 ( 0.000 4.746 0.000) 4.746 78.235 ( 0.000 5.041 0.000) 5.041 78.277 ( 0.000 1.490 0.000) 1.490 78.910 ( 0.000 1.280 0.000) 1.280 79.218 ( 0.000 4.401 0.000) 4.401 79.940 ( 0.000 -15.397 0.000) 15.397 83.316 ( 0.000 -99.555 0.000) 99.555 ======================= Grid point 19 (12/50) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 14.759 11.538 0.000) 18.734 1.052 ( 5.675 18.472 0.000) 19.324 1.365 ( 12.955 19.811 0.000) 23.671 1.590 ( 7.524 9.462 0.000) 12.089 1.744 ( -2.583 0.426 0.000) 2.618 1.899 ( 8.041 13.219 0.000) 15.472 2.064 ( 7.818 1.473 0.000) 7.956 2.243 ( 2.877 6.312 0.000) 6.937 2.292 ( 0.434 -0.482 0.000) 0.649 2.318 ( -5.919 -3.255 0.000) 6.754 2.510 ( 0.655 4.834 0.000) 4.878 2.535 ( -1.734 1.574 0.000) 2.342 2.775 ( 0.168 -2.086 0.000) 2.093 2.870 ( 1.056 -5.151 0.000) 5.258 2.934 ( 8.447 -0.138 0.000) 8.449 3.059 ( 3.065 -6.535 0.000) 7.218 3.097 ( 1.081 5.509 0.000) 5.614 3.164 ( 1.136 12.059 0.000) 12.112 3.169 ( 7.185 0.925 0.000) 7.244 3.349 ( -1.391 -3.828 0.000) 4.073 3.433 ( 2.816 8.154 0.000) 8.626 3.587 ( 1.757 -4.645 0.000) 4.966 3.670 ( 2.834 -6.142 0.000) 6.764 3.839 ( -0.387 -11.035 0.000) 11.042 3.927 ( 0.006 -6.269 0.000) 6.269 4.055 ( 1.956 -5.475 0.000) 5.814 4.277 ( -4.427 -7.688 0.000) 8.872 4.318 ( -7.770 -10.605 0.000) 13.147 4.346 ( -1.979 -6.477 0.000) 6.773 4.529 ( -2.318 -7.287 0.000) 7.647 4.557 ( -2.692 -11.740 0.000) 12.045 4.661 ( -2.364 -7.105 0.000) 7.488 5.115 ( -0.664 5.231 0.000) 5.273 5.324 ( -1.043 4.383 0.000) 4.505 5.504 ( -2.058 -0.967 0.000) 2.274 5.613 ( -3.261 7.984 0.000) 8.624 5.620 ( -4.895 -0.680 0.000) 4.942 5.784 ( -3.767 8.538 0.000) 9.332 6.013 ( -7.663 -0.080 0.000) 7.663 6.190 ( -6.606 -1.032 0.000) 6.686 6.444 ( 3.386 6.094 0.000) 6.972 6.571 ( 4.013 2.491 0.000) 4.724 6.668 ( 1.203 1.113 0.000) 1.639 6.693 ( 3.237 2.457 0.000) 4.064 6.941 ( 3.011 8.684 0.000) 9.192 7.406 ( 0.166 9.769 0.000) 9.770 7.564 ( -4.212 8.024 0.000) 9.062 7.668 ( 0.398 -0.978 0.000) 1.056 7.673 ( 1.498 6.569 0.000) 6.737 7.696 ( -0.273 2.585 0.000) 2.600 7.886 ( 3.235 -1.705 0.000) 3.657 8.096 ( -1.753 0.534 0.000) 1.833 8.415 ( -1.291 -6.818 0.000) 6.939 8.435 ( 1.323 7.187 0.000) 7.308 8.501 ( -0.499 -6.722 0.000) 6.740 9.215 ( -8.260 -0.494 0.000) 8.275 9.786 ( 2.363 -0.905 0.000) 2.530 9.808 ( -0.016 1.017 0.000) 1.017 9.871 ( 3.536 3.149 0.000) 4.734 9.954 ( -0.089 1.157 0.000) 1.160 9.959 ( -1.490 -1.119 0.000) 1.864 10.319 ( 0.248 -6.848 0.000) 6.852 10.384 ( -1.238 -0.151 0.000) 1.248 10.473 ( -2.153 -1.109 0.000) 2.422 10.942 ( -2.508 2.003 0.000) 3.210 10.944 ( -0.112 3.928 0.000) 3.930 11.064 ( -4.144 2.815 0.000) 5.009 11.322 ( -12.417 4.155 0.000) 13.094 11.336 ( 4.665 -4.023 0.000) 6.160 11.623 ( 3.152 -4.341 0.000) 5.365 11.647 ( -0.416 -5.121 0.000) 5.138 11.994 ( -2.063 -5.551 0.000) 5.922 18.167 ( 9.421 6.380 0.000) 11.377 18.250 ( 10.875 4.280 0.000) 11.687 18.567 ( 13.609 9.798 0.000) 16.769 18.678 ( -3.358 -0.775 0.000) 3.446 18.826 ( 2.199 -2.530 0.000) 3.352 18.938 ( 8.891 1.547 0.000) 9.025 18.991 ( -6.555 8.035 0.000) 10.369 19.125 ( 3.480 -0.850 0.000) 3.582 19.245 ( 1.035 -0.526 0.000) 1.161 19.373 ( 4.224 6.377 0.000) 7.649 19.511 ( 6.006 0.947 0.000) 6.081 19.661 ( 14.528 -8.314 0.000) 16.738 19.800 ( -2.650 3.477 0.000) 4.372 19.811 ( -0.328 3.723 0.000) 3.737 19.960 ( 6.407 7.060 0.000) 9.533 19.990 ( 4.940 -9.291 0.000) 10.523 20.356 ( -3.861 3.091 0.000) 4.946 20.648 ( -1.105 -16.711 0.000) 16.747 20.840 ( -1.336 -9.271 0.000) 9.366 20.862 ( 0.247 -12.223 0.000) 12.225 21.529 ( -0.837 4.824 0.000) 4.896 21.658 ( -1.072 3.167 0.000) 3.343 21.697 ( -2.632 5.894 0.000) 6.455 21.972 ( -6.186 -3.268 0.000) 6.996 22.168 ( 0.768 -6.846 0.000) 6.889 22.313 ( 3.956 -4.481 0.000) 5.977 22.358 ( 0.101 -6.162 0.000) 6.163 22.411 ( 1.323 -6.341 0.000) 6.477 22.928 ( -2.587 6.345 0.000) 6.852 23.021 ( 1.118 3.870 0.000) 4.029 23.057 ( -0.074 -1.890 0.000) 1.891 23.548 ( -6.496 -4.805 0.000) 8.080 34.180 ( 3.343 7.173 0.000) 7.913 34.191 ( 2.264 7.078 0.000) 7.432 35.116 ( -1.972 -11.626 0.000) 11.792 35.181 ( -1.728 -11.788 0.000) 11.914 35.587 ( -1.421 3.568 0.000) 3.841 35.598 ( -1.622 2.797 0.000) 3.233 35.794 ( -1.376 0.220 0.000) 1.393 36.085 ( -5.516 -7.416 0.000) 9.243 78.039 ( -0.708 3.779 0.000) 3.845 78.062 ( -1.156 4.480 0.000) 4.627 78.240 ( 0.356 4.588 0.000) 4.602 78.267 ( -1.060 1.320 0.000) 1.692 78.951 ( 3.971 0.893 0.000) 4.070 79.233 ( 1.440 3.831 0.000) 4.093 79.880 ( -5.588 -14.251 0.000) 15.307 82.810 ( -45.754 -83.497 0.000) 95.211 ======================= Grid point 20 (13/50) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 15.839 5.906 0.000) 16.904 1.168 ( 5.753 5.815 0.000) 8.180 1.512 ( -6.425 1.555 0.000) 6.610 1.746 ( 3.165 -1.349 0.000) 3.440 1.776 ( 18.447 17.106 0.000) 25.158 2.106 ( 10.767 9.133 0.000) 14.119 2.205 ( 5.595 2.784 0.000) 6.249 2.266 ( 1.820 -2.705 0.000) 3.260 2.272 ( -0.953 -2.892 0.000) 3.045 2.352 ( 6.261 7.271 0.000) 9.596 2.485 ( -3.188 0.301 0.000) 3.202 2.512 ( 0.750 1.257 0.000) 1.463 2.842 ( 4.151 1.869 0.000) 4.552 2.910 ( 3.187 -2.927 0.000) 4.327 3.124 ( 8.504 3.156 0.000) 9.071 3.127 ( 3.537 2.450 0.000) 4.303 3.162 ( -0.560 9.640 0.000) 9.657 3.188 ( 9.788 -6.196 0.000) 11.585 3.344 ( 9.626 0.063 0.000) 9.626 3.349 ( -0.046 1.200 0.000) 1.201 3.502 ( 3.893 3.267 0.000) 5.082 3.641 ( 4.036 -3.194 0.000) 5.147 3.744 ( 4.470 -3.048 0.000) 5.410 3.841 ( 0.996 -5.687 0.000) 5.773 3.955 ( 1.477 -3.244 0.000) 3.565 4.067 ( -0.433 -5.039 0.000) 5.058 4.093 ( -13.206 -6.279 0.000) 14.623 4.172 ( -6.058 -5.752 0.000) 8.353 4.306 ( -1.471 -3.498 0.000) 3.795 4.461 ( -4.429 -6.015 0.000) 7.470 4.475 ( -5.523 -10.635 0.000) 11.983 4.585 ( -5.218 -5.516 0.000) 7.593 5.110 ( 0.452 5.358 0.000) 5.377 5.297 ( -1.516 4.522 0.000) 4.769 5.441 ( -4.130 1.801 0.000) 4.505 5.480 ( -8.243 1.032 0.000) 8.307 5.520 ( -5.963 5.948 0.000) 8.422 5.671 ( -7.479 7.076 0.000) 10.296 5.811 ( -11.692 0.056 0.000) 11.692 6.009 ( -11.151 -0.629 0.000) 11.168 6.536 ( 5.341 4.768 0.000) 7.159 6.653 ( 3.826 3.709 0.000) 5.329 6.708 ( 2.780 2.263 0.000) 3.584 6.764 ( 3.536 1.774 0.000) 3.956 7.015 ( 4.003 7.066 0.000) 8.121 7.407 ( -0.378 9.743 0.000) 9.750 7.471 ( -4.398 8.462 0.000) 9.536 7.639 ( -2.281 6.630 0.000) 7.011 7.718 ( 3.340 5.719 0.000) 6.623 7.735 ( 3.028 -4.677 0.000) 5.571 7.969 ( 4.905 -0.470 0.000) 4.928 8.058 ( -1.900 -1.011 0.000) 2.152 8.378 ( -2.308 -6.927 0.000) 7.301 8.430 ( -2.370 3.676 0.000) 4.373 8.491 ( -0.315 -7.115 0.000) 7.122 9.009 ( -11.385 -1.327 0.000) 11.463 9.823 ( 1.564 0.988 0.000) 1.850 9.849 ( 3.586 -1.579 0.000) 3.918 9.939 ( -0.031 -0.970 0.000) 0.970 9.946 ( 0.196 1.809 0.000) 1.819 9.962 ( 4.356 2.226 0.000) 4.892 10.320 ( -3.857 1.900 0.000) 4.299 10.327 ( 0.570 -6.565 0.000) 6.590 10.464 ( 0.124 -0.750 0.000) 0.760 10.879 ( -3.472 4.469 0.000) 5.659 10.930 ( -1.724 5.388 0.000) 5.657 10.980 ( -3.979 2.777 0.000) 4.852 11.068 ( -11.718 10.142 0.000) 15.497 11.435 ( 4.944 -4.507 0.000) 6.690 11.636 ( -0.680 -5.836 0.000) 5.875 11.658 ( 0.363 -6.226 0.000) 6.237 11.936 ( -3.536 -6.050 0.000) 7.008 18.405 ( 12.941 5.418 0.000) 14.029 18.462 ( 8.909 2.896 0.000) 9.368 18.636 ( -0.397 -0.545 0.000) 0.674 18.788 ( 2.004 7.014 0.000) 7.295 18.855 ( 3.606 0.553 0.000) 3.648 18.948 ( 5.546 6.868 0.000) 8.827 19.078 ( 2.558 8.526 0.000) 8.901 19.222 ( 6.091 -0.256 0.000) 6.096 19.338 ( 8.461 0.217 0.000) 8.464 19.498 ( 7.418 5.258 0.000) 9.092 19.536 ( -2.799 2.746 0.000) 3.922 19.740 ( -2.917 0.415 0.000) 2.947 19.851 ( 6.505 -1.004 0.000) 6.582 19.907 ( 5.228 5.001 0.000) 7.235 20.074 ( 2.377 -9.562 0.000) 9.853 20.210 ( 16.877 -15.068 0.000) 22.625 20.338 ( 4.876 -0.320 0.000) 4.887 20.621 ( -2.104 -13.247 0.000) 13.413 20.796 ( -2.668 -9.890 0.000) 10.243 20.816 ( -5.292 -10.054 0.000) 11.361 21.498 ( -1.973 4.904 0.000) 5.286 21.653 ( 1.131 0.189 0.000) 1.147 21.679 ( 1.133 3.713 0.000) 3.882 21.854 ( -5.331 -3.047 0.000) 6.140 22.159 ( -1.330 -4.439 0.000) 4.634 22.345 ( -0.068 -5.475 0.000) 5.476 22.407 ( 3.462 -6.880 0.000) 7.702 22.438 ( 1.114 -6.283 0.000) 6.381 22.882 ( -1.637 5.537 0.000) 5.774 23.027 ( -0.763 3.722 0.000) 3.800 23.041 ( -1.469 -2.143 0.000) 2.599 23.394 ( -8.198 -2.163 0.000) 8.479 34.260 ( 4.681 5.888 0.000) 7.522 34.270 ( 5.564 5.648 0.000) 7.929 35.049 ( -4.893 -9.756 0.000) 10.914 35.116 ( -5.083 -10.484 0.000) 11.652 35.556 ( -1.326 2.967 0.000) 3.250 35.566 ( -1.224 2.461 0.000) 2.749 35.754 ( -2.569 -0.211 0.000) 2.578 35.945 ( -7.807 -4.904 0.000) 9.219 78.025 ( -0.573 3.422 0.000) 3.470 78.039 ( -0.969 3.618 0.000) 3.745 78.234 ( -2.181 0.918 0.000) 2.366 78.240 ( -0.629 3.533 0.000) 3.589 79.066 ( 7.464 -0.252 0.000) 7.468 79.272 ( 2.337 2.385 0.000) 3.339 79.738 ( -7.917 -11.310 0.000) 13.806 81.725 ( -56.760 -53.957 0.000) 78.314 ======================= Grid point 21 (14/50) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.115 -1.492 0.000) 7.269 1.235 ( -2.131 -12.808 0.000) 12.984 1.412 ( 4.140 -2.287 0.000) 4.730 1.870 ( 7.574 -4.317 0.000) 8.718 2.188 ( 19.753 8.688 0.000) 21.579 2.195 ( -3.296 -2.440 0.000) 4.100 2.222 ( 0.751 -1.269 0.000) 1.475 2.328 ( 3.080 1.332 0.000) 3.356 2.364 ( 7.215 6.919 0.000) 9.997 2.437 ( 0.431 -0.351 0.000) 0.556 2.476 ( 5.489 6.444 0.000) 8.465 2.604 ( 7.482 0.485 0.000) 7.498 2.879 ( 0.507 3.166 0.000) 3.207 3.001 ( 5.598 1.222 0.000) 5.730 3.139 ( -0.068 7.236 0.000) 7.237 3.226 ( 1.069 0.854 0.000) 1.368 3.251 ( -2.123 4.526 0.000) 4.999 3.327 ( 5.926 0.898 0.000) 5.993 3.387 ( 6.656 -2.220 0.000) 7.016 3.517 ( 7.619 -4.943 0.000) 9.082 3.593 ( 3.267 0.393 0.000) 3.291 3.751 ( 6.066 -1.381 0.000) 6.222 3.800 ( -8.519 -0.452 0.000) 8.531 3.849 ( 5.819 0.547 0.000) 5.844 3.921 ( 2.692 0.201 0.000) 2.699 3.929 ( -4.194 -2.345 0.000) 4.805 4.070 ( 0.877 -2.222 0.000) 2.389 4.070 ( -3.133 -0.658 0.000) 3.201 4.296 ( -0.172 -2.193 0.000) 2.200 4.350 ( -5.778 -6.957 0.000) 9.043 4.355 ( -5.845 -3.676 0.000) 6.905 4.460 ( -6.680 -3.255 0.000) 7.431 5.129 ( 0.822 4.928 0.000) 4.996 5.253 ( -4.417 5.129 0.000) 6.769 5.328 ( -3.219 3.429 0.000) 4.703 5.370 ( -2.766 1.997 0.000) 3.411 5.373 ( -8.497 4.862 0.000) 9.790 5.489 ( -10.830 6.510 0.000) 12.635 5.578 ( -10.248 -0.395 0.000) 10.256 5.767 ( -12.129 -0.323 0.000) 12.133 6.641 ( 4.682 4.091 0.000) 6.218 6.716 ( 2.293 4.431 0.000) 4.989 6.775 ( 3.645 2.447 0.000) 4.390 6.829 ( 2.718 0.535 0.000) 2.770 7.095 ( 3.961 6.800 0.000) 7.869 7.353 ( -4.431 8.606 0.000) 9.679 7.437 ( 0.681 9.143 0.000) 9.168 7.587 ( -2.897 7.942 0.000) 8.454 7.805 ( 3.854 -5.387 0.000) 6.624 7.813 ( 6.103 4.998 0.000) 7.889 8.019 ( -2.183 -3.066 0.000) 3.764 8.075 ( 5.472 -0.637 0.000) 5.509 8.328 ( -2.628 -6.296 0.000) 6.823 8.331 ( -7.402 2.809 0.000) 7.917 8.494 ( 0.771 -7.138 0.000) 7.179 8.792 ( -9.649 -2.913 0.000) 10.079 9.870 ( 2.859 0.839 0.000) 2.979 9.907 ( 1.640 -1.580 0.000) 2.277 9.943 ( 0.391 1.793 0.000) 1.835 9.966 ( 2.481 -1.424 0.000) 2.861 10.059 ( 4.621 1.238 0.000) 4.784 10.260 ( -1.952 1.727 0.000) 2.606 10.337 ( 0.273 -5.528 0.000) 5.534 10.435 ( -3.541 -2.178 0.000) 4.157 10.814 ( -2.678 5.764 0.000) 6.356 10.855 ( -5.001 10.059 0.000) 11.234 10.907 ( -4.086 9.474 0.000) 10.318 10.908 ( -3.053 4.859 0.000) 5.738 11.527 ( 4.020 -5.827 0.000) 7.079 11.628 ( 0.389 -6.404 0.000) 6.415 11.643 ( -1.552 -7.312 0.000) 7.475 11.857 ( -4.267 -6.323 0.000) 7.629 18.584 ( 3.293 4.205 0.000) 5.341 18.604 ( 5.703 4.937 0.000) 7.543 18.716 ( 8.232 2.756 0.000) 8.681 18.735 ( -2.881 6.959 0.000) 7.532 18.930 ( 2.828 3.152 0.000) 4.235 19.077 ( -0.945 9.169 0.000) 9.217 19.157 ( 11.451 3.874 0.000) 12.088 19.289 ( -1.299 4.336 0.000) 4.526 19.445 ( 3.251 1.029 0.000) 3.410 19.597 ( 7.641 0.178 0.000) 7.643 19.640 ( -0.089 1.832 0.000) 1.835 19.645 ( -0.203 3.546 0.000) 3.552 19.937 ( 2.489 3.234 0.000) 4.081 19.992 ( 4.212 5.980 0.000) 7.314 20.160 ( 7.638 -10.269 0.000) 12.799 20.448 ( -1.556 -7.349 0.000) 7.511 20.523 ( 7.984 -7.722 0.000) 11.108 20.590 ( 5.514 -19.095 0.000) 19.876 20.684 ( -3.837 -6.637 0.000) 7.667 20.758 ( -0.862 -11.912 0.000) 11.943 21.458 ( -1.934 3.675 0.000) 4.153 21.670 ( -2.806 0.466 0.000) 2.845 21.727 ( 3.093 1.000 0.000) 3.251 21.784 ( 0.442 -4.952 0.000) 4.971 22.143 ( 0.764 -3.752 0.000) 3.829 22.348 ( 0.472 -5.692 0.000) 5.711 22.445 ( -0.061 -8.925 0.000) 8.925 22.448 ( -0.252 -6.728 0.000) 6.733 22.868 ( 0.256 3.575 0.000) 3.584 22.992 ( -2.528 3.339 0.000) 4.188 23.009 ( -1.194 -1.351 0.000) 1.804 23.232 ( -7.781 -1.486 0.000) 7.922 34.380 ( 7.325 3.938 0.000) 8.316 34.401 ( 7.417 3.713 0.000) 8.295 34.920 ( -7.794 -6.173 0.000) 9.943 34.971 ( -9.227 -6.936 0.000) 11.544 35.546 ( 0.478 1.409 0.000) 1.488 35.560 ( 0.754 0.985 0.000) 1.241 35.695 ( -3.217 -0.520 0.000) 3.259 35.794 ( -6.856 -2.847 0.000) 7.424 78.023 ( 0.599 2.786 0.000) 2.850 78.030 ( 0.188 2.403 0.000) 2.410 78.182 ( -2.883 0.612 0.000) 2.947 78.209 ( -2.444 2.389 0.000) 3.418 79.251 ( 11.069 -2.320 0.000) 11.310 79.323 ( 2.783 0.496 0.000) 2.827 79.585 ( -6.941 -7.681 0.000) 10.352 80.688 ( -44.466 -29.412 0.000) 53.314 ======================= Grid point 22 (15/50) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 1.122 -15.824 0.000) 15.863 1.246 ( -1.338 -10.347 0.000) 10.433 1.612 ( 12.726 -10.108 0.000) 16.251 1.856 ( -9.650 -11.284 0.000) 14.848 2.203 ( 1.234 -2.630 0.000) 2.905 2.207 ( -0.413 -3.615 0.000) 3.638 2.413 ( 9.629 3.961 0.000) 10.412 2.460 ( 4.685 5.556 0.000) 7.268 2.488 ( 1.574 2.014 0.000) 2.556 2.522 ( 5.783 5.267 0.000) 7.822 2.580 ( 5.003 4.085 0.000) 6.459 2.672 ( -3.259 -0.344 0.000) 3.277 2.951 ( 9.032 2.738 0.000) 9.438 3.099 ( 2.205 2.036 0.000) 3.001 3.139 ( -0.621 2.411 0.000) 2.489 3.158 ( -0.300 5.892 0.000) 5.900 3.179 ( -4.493 4.888 0.000) 6.639 3.278 ( -13.634 -4.529 0.000) 14.367 3.506 ( 7.665 3.527 0.000) 8.438 3.594 ( -0.748 0.781 0.000) 1.082 3.678 ( 6.696 -2.093 0.000) 7.016 3.785 ( 4.244 0.657 0.000) 4.295 3.798 ( -4.794 -2.065 0.000) 5.220 3.853 ( -0.576 -1.974 0.000) 2.056 3.954 ( 3.523 1.756 0.000) 3.936 3.992 ( 0.791 0.882 0.000) 1.185 4.068 ( 2.441 4.275 0.000) 4.922 4.079 ( 0.442 2.075 0.000) 2.121 4.250 ( -2.291 -5.113 0.000) 5.603 4.250 ( -3.518 -3.187 0.000) 4.747 4.318 ( 0.713 0.379 0.000) 0.808 4.352 ( -3.251 -0.490 0.000) 3.288 5.133 ( 0.705 5.724 0.000) 5.767 5.165 ( -1.126 5.303 0.000) 5.422 5.207 ( -6.914 5.601 0.000) 8.898 5.259 ( -9.860 5.076 0.000) 11.090 5.354 ( 2.248 2.507 0.000) 3.368 5.383 ( 5.744 1.075 0.000) 5.844 5.428 ( -5.266 0.770 0.000) 5.322 5.545 ( -9.772 0.177 0.000) 9.773 6.714 ( 2.535 4.231 0.000) 4.933 6.740 ( 0.014 4.567 0.000) 4.567 6.840 ( 2.483 1.123 0.000) 2.725 6.863 ( 0.394 -0.064 0.000) 0.400 7.176 ( 4.147 7.523 0.000) 8.591 7.262 ( -4.489 8.042 0.000) 9.211 7.469 ( 2.351 8.863 0.000) 9.170 7.525 ( -3.097 8.527 0.000) 9.072 7.886 ( 4.070 -5.509 0.000) 6.849 7.952 ( 2.893 -0.027 0.000) 2.893 7.972 ( 2.317 -0.140 0.000) 2.321 8.146 ( -7.936 3.153 0.000) 8.539 8.187 ( 3.061 -1.598 0.000) 3.453 8.268 ( -3.554 -4.562 0.000) 5.783 8.533 ( 3.365 -6.497 0.000) 7.317 8.631 ( -6.390 -5.036 0.000) 8.136 9.909 ( 0.880 0.515 0.000) 1.020 9.919 ( -0.143 -0.606 0.000) 0.623 9.981 ( 2.803 0.707 0.000) 2.891 10.006 ( 0.743 -0.915 0.000) 1.178 10.145 ( 4.126 0.274 0.000) 4.135 10.224 ( -2.837 0.211 0.000) 2.845 10.336 ( -0.302 -3.602 0.000) 3.615 10.351 ( -2.940 -1.817 0.000) 3.456 10.782 ( -0.381 6.444 0.000) 6.455 10.794 ( -1.435 8.584 0.000) 8.703 10.852 ( -1.316 9.206 0.000) 9.300 10.859 ( -1.723 7.762 0.000) 7.951 11.579 ( 1.389 -7.613 0.000) 7.738 11.608 ( -1.702 -7.894 0.000) 8.075 11.675 ( 4.083 -6.079 0.000) 7.323 11.767 ( -4.715 -6.268 0.000) 7.843 18.630 ( 2.076 5.495 0.000) 5.874 18.668 ( -1.145 6.221 0.000) 6.325 18.729 ( 3.956 8.306 0.000) 9.200 18.798 ( -1.116 7.146 0.000) 7.232 18.990 ( 3.353 2.121 0.000) 3.968 19.055 ( -2.321 3.502 0.000) 4.202 19.299 ( 5.225 7.251 0.000) 8.937 19.348 ( 6.669 5.888 0.000) 8.896 19.474 ( -1.888 1.404 0.000) 2.353 19.485 ( -8.024 2.072 0.000) 8.287 19.702 ( 3.203 0.009 0.000) 3.203 19.725 ( 1.408 0.299 0.000) 1.439 20.050 ( 8.918 2.864 0.000) 9.366 20.105 ( 7.079 2.979 0.000) 7.681 20.255 ( -2.884 -4.364 0.000) 5.231 20.273 ( -10.822 1.128 0.000) 10.880 20.520 ( 2.943 -7.648 0.000) 8.194 20.634 ( -4.580 -13.696 0.000) 14.442 20.809 ( 6.696 -15.426 0.000) 16.817 20.816 ( 5.034 -18.562 0.000) 19.233 21.443 ( 1.595 4.038 0.000) 4.341 21.544 ( -7.417 3.380 0.000) 8.151 21.785 ( 2.413 -0.396 0.000) 2.445 21.813 ( 0.097 -3.139 0.000) 3.140 22.223 ( 6.916 -7.578 0.000) 10.259 22.347 ( -2.675 -8.213 0.000) 8.638 22.410 ( -1.312 -8.696 0.000) 8.794 22.429 ( -1.529 -7.318 0.000) 7.476 22.889 ( 1.751 2.434 0.000) 2.998 22.936 ( -2.800 2.738 0.000) 3.916 23.014 ( 2.075 -0.474 0.000) 2.129 23.094 ( -5.656 -0.992 0.000) 5.742 34.553 ( 9.759 1.141 0.000) 9.825 34.565 ( 8.786 1.089 0.000) 8.853 34.747 ( -9.109 -2.263 0.000) 9.386 34.764 ( -10.874 -2.575 0.000) 11.175 35.574 ( 2.165 0.075 0.000) 2.166 35.595 ( 2.589 -0.495 0.000) 2.635 35.631 ( -2.822 -0.551 0.000) 2.876 35.676 ( -4.855 -1.658 0.000) 5.130 78.046 ( 1.134 1.376 0.000) 1.783 78.047 ( 1.350 1.843 0.000) 2.284 78.130 ( -1.606 0.933 0.000) 1.858 78.150 ( -2.952 1.743 0.000) 3.428 79.384 ( 3.416 -1.696 0.000) 3.814 79.465 ( -4.500 -4.418 0.000) 6.306 79.527 ( 16.520 -6.135 0.000) 17.622 79.966 ( -28.013 -14.121 0.000) 31.371 ======================= Grid point 27 (16/50) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 20.420 0.000) 20.420 1.407 ( 0.000 18.510 0.000) 18.510 1.635 ( 0.000 11.228 0.000) 11.228 1.654 ( 0.000 8.064 0.000) 8.064 1.722 ( 0.000 -17.835 0.000) 17.835 1.912 ( 0.000 7.884 0.000) 7.884 1.963 ( 0.000 -1.397 0.000) 1.397 2.299 ( 0.000 -1.268 0.000) 1.268 2.387 ( 0.000 6.854 0.000) 6.854 2.496 ( 0.000 10.969 0.000) 10.969 2.594 ( 0.000 1.536 0.000) 1.536 2.646 ( 0.000 7.683 0.000) 7.683 2.737 ( 0.000 -2.168 0.000) 2.168 2.752 ( 0.000 -5.807 0.000) 5.807 2.790 ( 0.000 -3.056 0.000) 3.056 2.911 ( 0.000 2.496 0.000) 2.496 3.157 ( 0.000 0.522 0.000) 0.522 3.176 ( 0.000 -12.257 0.000) 12.257 3.181 ( 0.000 4.837 0.000) 4.837 3.456 ( 0.000 8.230 0.000) 8.230 3.481 ( 0.000 -8.102 0.000) 8.102 3.557 ( 0.000 10.862 0.000) 10.862 3.569 ( 0.000 4.194 0.000) 4.194 3.636 ( 0.000 -6.336 0.000) 6.336 3.741 ( 0.000 -9.378 0.000) 9.378 3.958 ( 0.000 0.017 0.000) 0.017 4.162 ( 0.000 -2.888 0.000) 2.888 4.180 ( 0.000 -9.955 0.000) 9.955 4.232 ( 0.000 -3.761 0.000) 3.761 4.293 ( 0.000 -15.169 0.000) 15.169 4.374 ( 0.000 -8.818 0.000) 8.818 4.490 ( 0.000 -10.257 0.000) 10.257 5.244 ( 0.000 6.535 0.000) 6.535 5.418 ( 0.000 3.750 0.000) 3.750 5.472 ( 0.000 -3.109 0.000) 3.109 5.604 ( 0.000 -4.481 0.000) 4.481 5.835 ( 0.000 8.346 0.000) 8.346 6.005 ( 0.000 7.766 0.000) 7.766 6.068 ( 0.000 -2.467 0.000) 2.467 6.224 ( 0.000 -2.772 0.000) 2.772 6.562 ( 0.000 2.168 0.000) 2.168 6.564 ( 0.000 7.092 0.000) 7.092 6.648 ( 0.000 -1.280 0.000) 1.280 6.703 ( 0.000 1.095 0.000) 1.095 7.130 ( 0.000 10.890 0.000) 10.890 7.534 ( 0.000 -7.262 0.000) 7.262 7.639 ( 0.000 11.844 0.000) 11.844 7.778 ( 0.000 0.653 0.000) 0.653 7.794 ( 0.000 6.175 0.000) 6.175 7.795 ( 0.000 -1.928 0.000) 1.928 7.822 ( 0.000 11.168 0.000) 11.168 8.115 ( 0.000 -1.129 0.000) 1.129 8.251 ( 0.000 -9.690 0.000) 9.690 8.331 ( 0.000 -9.978 0.000) 9.978 8.660 ( 0.000 13.121 0.000) 13.121 9.202 ( 0.000 -9.448 0.000) 9.448 9.805 ( 0.000 4.088 0.000) 4.088 9.852 ( 0.000 2.398 0.000) 2.398 9.889 ( 0.000 2.029 0.000) 2.029 9.943 ( 0.000 -1.941 0.000) 1.941 9.985 ( 0.000 2.003 0.000) 2.003 10.169 ( 0.000 -6.811 0.000) 6.811 10.378 ( 0.000 -0.139 0.000) 0.139 10.427 ( 0.000 -3.034 0.000) 3.034 10.985 ( 0.000 1.818 0.000) 1.818 11.045 ( 0.000 6.151 0.000) 6.151 11.161 ( 0.000 -5.579 0.000) 5.579 11.242 ( 0.000 6.642 0.000) 6.642 11.361 ( 0.000 -7.727 0.000) 7.727 11.531 ( 0.000 -6.435 0.000) 6.435 11.619 ( 0.000 4.914 0.000) 4.914 11.886 ( 0.000 -6.731 0.000) 6.731 18.231 ( 0.000 8.399 0.000) 8.399 18.292 ( 0.000 9.196 0.000) 9.196 18.609 ( 0.000 -9.575 0.000) 9.575 18.675 ( 0.000 -7.916 0.000) 7.916 18.760 ( 0.000 19.026 0.000) 19.026 18.928 ( 0.000 9.153 0.000) 9.153 19.068 ( 0.000 -0.486 0.000) 0.486 19.179 ( 0.000 -1.280 0.000) 1.280 19.193 ( 0.000 2.616 0.000) 2.616 19.437 ( 0.000 -0.918 0.000) 0.918 19.444 ( 0.000 -6.857 0.000) 6.857 19.469 ( 0.000 2.233 0.000) 2.233 19.808 ( 0.000 4.073 0.000) 4.073 19.890 ( 0.000 4.339 0.000) 4.339 19.990 ( 0.000 3.119 0.000) 3.119 20.131 ( 0.000 8.324 0.000) 8.324 20.279 ( 0.000 -13.862 0.000) 13.862 20.445 ( 0.000 1.034 0.000) 1.034 20.606 ( 0.000 -9.989 0.000) 9.989 20.640 ( 0.000 -10.995 0.000) 10.995 21.668 ( 0.000 7.223 0.000) 7.223 21.758 ( 0.000 3.531 0.000) 3.531 21.826 ( 0.000 2.380 0.000) 2.380 21.938 ( 0.000 -7.560 0.000) 7.560 22.063 ( 0.000 1.225 0.000) 1.225 22.189 ( 0.000 -3.270 0.000) 3.270 22.222 ( 0.000 -6.074 0.000) 6.074 22.252 ( 0.000 -6.742 0.000) 6.742 23.025 ( 0.000 -0.462 0.000) 0.462 23.037 ( 0.000 0.978 0.000) 0.978 23.115 ( 0.000 6.401 0.000) 6.401 23.450 ( 0.000 -8.587 0.000) 8.587 34.349 ( 0.000 11.321 0.000) 11.321 34.358 ( 0.000 10.395 0.000) 10.395 34.868 ( 0.000 -12.956 0.000) 12.956 34.914 ( 0.000 -14.304 0.000) 14.304 35.679 ( 0.000 3.179 0.000) 3.179 35.696 ( 0.000 5.165 0.000) 5.165 35.794 ( 0.000 -1.653 0.000) 1.653 35.970 ( 0.000 -7.758 0.000) 7.758 78.140 ( 0.000 4.676 0.000) 4.676 78.187 ( 0.000 5.452 0.000) 5.452 78.287 ( 0.000 -0.984 0.000) 0.984 78.315 ( 0.000 1.570 0.000) 1.570 78.994 ( 0.000 7.344 0.000) 7.344 79.452 ( 0.000 20.115 0.000) 20.115 79.578 ( 0.000 -17.886 0.000) 17.886 81.427 ( 0.000 -76.384 0.000) 76.384 ======================= Grid point 28 (17/50) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 9.122 17.641 0.000) 19.860 1.400 ( -2.479 14.548 0.000) 14.758 1.666 ( 1.886 9.547 0.000) 9.732 1.671 ( -2.212 -10.524 0.000) 10.754 1.769 ( 8.049 3.967 0.000) 8.973 2.016 ( 5.127 -3.824 0.000) 6.396 2.037 ( 9.147 2.022 0.000) 9.368 2.325 ( 1.324 -1.068 0.000) 1.701 2.372 ( -0.663 5.564 0.000) 5.603 2.400 ( -5.561 13.690 0.000) 14.776 2.614 ( 0.664 6.013 0.000) 6.050 2.654 ( -0.283 8.317 0.000) 8.322 2.733 ( 1.325 -6.246 0.000) 6.385 2.751 ( 3.526 -0.553 0.000) 3.569 2.871 ( 6.364 -6.115 0.000) 8.826 3.003 ( 8.435 3.436 0.000) 9.108 3.112 ( -3.138 -7.391 0.000) 8.029 3.198 ( 3.855 -1.113 0.000) 4.013 3.278 ( 5.985 0.522 0.000) 6.008 3.402 ( -3.086 3.144 0.000) 4.405 3.551 ( -1.035 2.034 0.000) 2.282 3.567 ( 6.004 -0.895 0.000) 6.070 3.583 ( 2.135 8.519 0.000) 8.783 3.683 ( 3.883 -3.764 0.000) 5.408 3.784 ( 4.275 -6.979 0.000) 8.184 3.967 ( 0.305 -2.276 0.000) 2.297 4.130 ( -3.716 -2.893 0.000) 4.709 4.189 ( 0.865 -7.896 0.000) 7.943 4.190 ( -3.345 -1.259 0.000) 3.574 4.279 ( -1.339 -14.113 0.000) 14.176 4.354 ( -1.870 -8.810 0.000) 9.006 4.478 ( -1.243 -9.787 0.000) 9.866 5.237 ( -0.647 6.300 0.000) 6.333 5.407 ( -0.994 2.965 0.000) 3.127 5.473 ( -0.325 -1.826 0.000) 1.854 5.576 ( -2.774 -3.228 0.000) 4.256 5.779 ( -5.304 7.240 0.000) 8.974 5.938 ( -6.461 4.086 0.000) 7.645 6.007 ( -5.840 0.950 0.000) 5.917 6.158 ( -6.038 -2.162 0.000) 6.413 6.585 ( 2.145 6.607 0.000) 6.946 6.619 ( 4.704 2.035 0.000) 5.125 6.677 ( 2.711 -0.357 0.000) 2.734 6.728 ( 2.199 0.441 0.000) 2.242 7.148 ( 1.713 10.466 0.000) 10.605 7.549 ( 1.443 -7.472 0.000) 7.611 7.642 ( 0.313 11.968 0.000) 11.972 7.754 ( -3.424 8.927 0.000) 9.561 7.767 ( 0.007 1.963 0.000) 1.963 7.834 ( 0.886 8.800 0.000) 8.845 7.848 ( 3.970 -1.971 0.000) 4.432 8.082 ( -3.048 -1.791 0.000) 3.536 8.235 ( -1.577 -10.012 0.000) 10.135 8.322 ( -0.809 -10.041 0.000) 10.074 8.636 ( -2.432 11.320 0.000) 11.578 9.116 ( -7.935 -8.584 0.000) 11.690 9.817 ( 1.168 3.267 0.000) 3.470 9.850 ( 0.220 2.921 0.000) 2.929 9.922 ( 2.805 1.281 0.000) 3.084 9.932 ( -0.917 -1.547 0.000) 1.799 9.987 ( 0.099 2.011 0.000) 2.014 10.170 ( 0.165 -6.912 0.000) 6.914 10.379 ( -0.491 -0.066 0.000) 0.496 10.428 ( 0.109 -2.388 0.000) 2.391 10.985 ( -0.079 2.715 0.000) 2.716 11.056 ( 0.911 6.453 0.000) 6.517 11.122 ( -2.955 0.245 0.000) 2.965 11.279 ( 2.813 0.738 0.000) 2.908 11.335 ( -2.853 -3.847 0.000) 4.790 11.521 ( -1.002 -6.689 0.000) 6.764 11.592 ( -2.242 2.776 0.000) 3.569 11.859 ( -2.689 -7.099 0.000) 7.591 18.314 ( 7.910 7.312 0.000) 10.772 18.376 ( 7.544 7.310 0.000) 10.505 18.600 ( -0.095 -5.600 0.000) 5.601 18.706 ( 2.936 -7.086 0.000) 7.670 18.850 ( 7.839 15.473 0.000) 17.345 19.038 ( 9.521 5.855 0.000) 11.177 19.121 ( 5.549 0.396 0.000) 5.563 19.145 ( -3.552 5.124 0.000) 6.235 19.213 ( 2.947 -0.554 0.000) 2.999 19.467 ( 4.140 -0.507 0.000) 4.171 19.490 ( 4.091 -5.889 0.000) 7.171 19.541 ( 5.452 -2.226 0.000) 5.889 19.817 ( 1.016 2.965 0.000) 3.134 19.897 ( 0.714 4.686 0.000) 4.740 19.953 ( -3.149 1.847 0.000) 3.650 20.133 ( -0.049 4.706 0.000) 4.706 20.303 ( 2.314 -10.737 0.000) 10.983 20.406 ( -3.176 1.742 0.000) 3.623 20.616 ( 0.327 -10.403 0.000) 10.408 20.629 ( -1.057 -10.586 0.000) 10.638 21.658 ( -1.005 6.892 0.000) 6.965 21.728 ( -2.517 3.178 0.000) 4.054 21.793 ( -2.791 2.770 0.000) 3.933 21.876 ( -4.592 -5.064 0.000) 6.836 22.091 ( 1.552 -0.249 0.000) 1.572 22.214 ( 1.761 -4.587 0.000) 4.913 22.227 ( 0.774 -5.518 0.000) 5.572 22.268 ( 1.351 -6.797 0.000) 6.930 23.000 ( -1.917 1.168 0.000) 2.244 23.032 ( -0.867 -0.531 0.000) 1.017 23.120 ( 0.170 5.615 0.000) 5.618 23.413 ( -3.549 -7.340 0.000) 8.153 34.369 ( 1.901 10.609 0.000) 10.778 34.371 ( 1.298 9.895 0.000) 9.980 34.859 ( -0.917 -12.457 0.000) 12.490 34.906 ( -0.858 -13.770 0.000) 13.797 35.662 ( -1.553 3.201 0.000) 3.558 35.677 ( -1.772 4.928 0.000) 5.237 35.778 ( -1.599 -1.698 0.000) 2.332 35.931 ( -3.623 -6.992 0.000) 7.875 78.130 ( -0.931 4.598 0.000) 4.691 78.172 ( -1.400 5.554 0.000) 5.728 78.274 ( -1.254 -0.987 0.000) 1.596 78.310 ( -0.614 1.152 0.000) 1.305 79.021 ( 2.624 6.372 0.000) 6.891 79.439 ( -1.156 17.802 0.000) 17.839 79.547 ( -2.841 -16.384 0.000) 16.628 81.187 ( -22.161 -66.897 0.000) 70.472 ======================= Grid point 29 (18/50) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 9.693 12.363 0.000) 15.710 1.277 ( -9.220 5.500 0.000) 10.736 1.519 ( -14.484 -2.112 0.000) 14.637 1.673 ( 2.293 -7.167 0.000) 7.524 1.973 ( 11.758 2.288 0.000) 11.978 2.180 ( 9.580 -4.068 0.000) 10.408 2.194 ( 4.003 -0.360 0.000) 4.019 2.305 ( -0.350 4.263 0.000) 4.277 2.373 ( 1.427 15.513 0.000) 15.578 2.406 ( 2.738 -0.138 0.000) 2.742 2.582 ( -2.617 3.135 0.000) 4.083 2.667 ( 3.700 12.092 0.000) 12.645 2.848 ( 8.695 0.162 0.000) 8.697 2.857 ( 3.868 -1.822 0.000) 4.276 3.034 ( 9.161 -5.796 0.000) 10.841 3.121 ( 6.152 -4.332 0.000) 7.525 3.205 ( 10.247 1.377 0.000) 10.339 3.294 ( 5.284 -4.229 0.000) 6.768 3.333 ( -3.529 3.570 0.000) 5.020 3.372 ( 2.036 1.966 0.000) 2.830 3.551 ( 1.543 2.418 0.000) 2.868 3.633 ( 3.556 4.784 0.000) 5.961 3.708 ( 7.450 0.322 0.000) 7.457 3.771 ( 3.917 -4.193 0.000) 5.738 3.899 ( 6.478 -3.659 0.000) 7.440 3.952 ( -1.811 -4.195 0.000) 4.569 4.012 ( -6.326 1.476 0.000) 6.496 4.133 ( -2.341 2.373 0.000) 3.333 4.202 ( -0.657 -6.731 0.000) 6.763 4.254 ( -0.017 -8.666 0.000) 8.666 4.308 ( -2.436 -8.146 0.000) 8.503 4.436 ( -2.930 -8.243 0.000) 8.748 5.226 ( -0.231 5.530 0.000) 5.535 5.380 ( -1.801 2.001 0.000) 2.692 5.444 ( -2.703 -0.261 0.000) 2.715 5.499 ( -4.508 0.250 0.000) 4.515 5.639 ( -8.142 5.050 0.000) 9.581 5.762 ( -10.295 0.116 0.000) 10.295 5.848 ( -9.779 4.517 0.000) 10.772 5.990 ( -10.591 -1.441 0.000) 10.689 6.647 ( 3.841 5.258 0.000) 6.511 6.718 ( 4.614 2.345 0.000) 5.176 6.747 ( 3.930 1.117 0.000) 4.085 6.778 ( 2.577 -0.474 0.000) 2.621 7.196 ( 3.047 9.689 0.000) 10.157 7.590 ( 2.635 -7.686 0.000) 8.126 7.647 ( -0.465 12.508 0.000) 12.517 7.670 ( -4.030 9.830 0.000) 10.623 7.773 ( 0.237 4.898 0.000) 4.904 7.864 ( 2.425 7.989 0.000) 8.349 7.940 ( 4.841 -2.474 0.000) 5.436 8.008 ( -4.005 -3.651 0.000) 5.420 8.195 ( -2.099 -10.253 0.000) 10.465 8.307 ( -0.402 -10.121 0.000) 10.129 8.559 ( -5.314 7.978 0.000) 9.585 8.918 ( -11.018 -6.850 0.000) 12.974 9.853 ( 2.327 1.545 0.000) 2.793 9.868 ( 1.598 3.351 0.000) 3.712 9.919 ( -0.021 -1.020 0.000) 1.020 9.987 ( 0.396 1.474 0.000) 1.526 9.990 ( 3.242 0.798 0.000) 3.339 10.180 ( 0.935 -7.007 0.000) 7.069 10.344 ( -2.702 0.900 0.000) 2.848 10.424 ( -0.943 -2.556 0.000) 2.725 10.981 ( -0.408 5.091 0.000) 5.107 11.062 ( -2.587 4.243 0.000) 4.969 11.066 ( -0.346 7.209 0.000) 7.217 11.249 ( -5.222 5.125 0.000) 7.316 11.339 ( 2.957 -3.711 0.000) 4.745 11.494 ( -1.569 -7.354 0.000) 7.519 11.543 ( -2.640 -2.797 0.000) 3.846 11.786 ( -4.317 -8.025 0.000) 9.113 18.517 ( 11.186 4.740 0.000) 12.149 18.550 ( 8.829 5.138 0.000) 10.215 18.624 ( 2.717 -0.760 0.000) 2.821 18.773 ( 3.068 -4.163 0.000) 5.171 19.026 ( 8.303 10.586 0.000) 13.454 19.092 ( -0.370 6.399 0.000) 6.410 19.219 ( 8.168 1.926 0.000) 8.392 19.267 ( 2.559 5.444 0.000) 6.016 19.333 ( 13.790 1.021 0.000) 13.828 19.555 ( 0.328 -1.665 0.000) 1.697 19.595 ( 6.972 2.447 0.000) 7.389 19.665 ( 6.409 -6.811 0.000) 9.352 19.855 ( 3.043 0.962 0.000) 3.191 19.917 ( 1.064 -4.454 0.000) 4.580 19.921 ( 2.271 0.842 0.000) 2.422 20.130 ( 0.041 -0.983 0.000) 0.984 20.349 ( -1.598 1.561 0.000) 2.234 20.357 ( 2.621 -6.819 0.000) 7.306 20.598 ( -2.008 -8.822 0.000) 9.048 20.599 ( -2.214 -9.928 0.000) 10.172 21.622 ( -2.666 6.251 0.000) 6.795 21.680 ( -1.665 1.945 0.000) 2.560 21.740 ( -1.848 1.767 0.000) 2.557 21.787 ( -4.119 -3.285 0.000) 5.269 22.106 ( 0.021 0.014 0.000) 0.026 22.229 ( 0.454 -4.806 0.000) 4.827 22.261 ( 1.529 -6.196 0.000) 6.382 22.293 ( 0.789 -7.082 0.000) 7.126 22.959 ( -1.993 2.001 0.000) 2.824 23.005 ( -1.582 -1.209 0.000) 1.991 23.107 ( -1.672 4.126 0.000) 4.452 23.314 ( -6.056 -4.920 0.000) 7.802 34.411 ( 2.769 8.381 0.000) 8.827 34.423 ( 3.383 8.712 0.000) 9.346 34.830 ( -2.083 -10.710 0.000) 10.911 34.876 ( -2.301 -11.867 0.000) 12.088 35.624 ( -2.035 2.949 0.000) 3.583 35.632 ( -2.489 4.151 0.000) 4.840 35.733 ( -2.753 -1.734 0.000) 3.254 35.836 ( -5.473 -5.241 0.000) 7.578 78.107 ( -1.173 4.202 0.000) 4.362 78.136 ( -1.965 5.301 0.000) 5.654 78.237 ( -2.364 -0.922 0.000) 2.537 78.286 ( -1.863 0.254 0.000) 1.881 79.099 ( 5.084 3.851 0.000) 6.378 79.412 ( -1.411 12.368 0.000) 12.448 79.479 ( -3.619 -12.567 0.000) 13.078 80.640 ( -29.640 -46.184 0.000) 54.877 ======================= Grid point 30 (19/50) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -9.978 -2.455 0.000) 10.276 1.256 ( -0.702 6.909 0.000) 6.945 1.301 ( -4.107 -7.759 0.000) 8.779 1.715 ( -0.811 -10.601 0.000) 10.632 2.153 ( 4.248 -0.535 0.000) 4.282 2.189 ( -0.167 3.020 0.000) 3.025 2.327 ( 5.991 -6.264 0.000) 8.668 2.351 ( 2.433 -0.195 0.000) 2.441 2.469 ( 3.799 3.198 0.000) 4.966 2.475 ( 8.930 13.398 0.000) 16.101 2.570 ( 2.209 1.277 0.000) 2.551 2.788 ( 6.143 13.010 0.000) 14.387 2.881 ( -0.123 -3.457 0.000) 3.459 3.023 ( 7.562 1.987 0.000) 7.818 3.188 ( 4.587 -3.785 0.000) 5.947 3.236 ( -3.386 -3.678 0.000) 4.999 3.321 ( 4.903 5.253 0.000) 7.186 3.338 ( 2.498 -2.968 0.000) 3.879 3.387 ( 4.053 5.176 0.000) 6.574 3.416 ( 5.791 -4.277 0.000) 7.199 3.610 ( 3.900 2.701 0.000) 4.744 3.728 ( 4.928 -0.296 0.000) 4.937 3.779 ( -1.567 -2.304 0.000) 2.786 3.818 ( 0.649 -2.092 0.000) 2.191 3.928 ( 2.154 0.143 0.000) 2.159 3.985 ( 3.080 5.082 0.000) 5.943 4.019 ( 4.559 -3.166 0.000) 5.551 4.106 ( 0.497 3.884 0.000) 3.916 4.169 ( -0.655 -3.931 0.000) 3.986 4.260 ( -2.602 -5.012 0.000) 5.647 4.282 ( 1.747 -3.058 0.000) 3.522 4.369 ( -3.256 -5.297 0.000) 6.218 5.233 ( 0.804 4.539 0.000) 4.610 5.329 ( -3.411 1.312 0.000) 3.655 5.379 ( -2.534 2.170 0.000) 3.336 5.415 ( -3.392 1.602 0.000) 3.751 5.466 ( -8.784 3.682 0.000) 9.524 5.560 ( -9.146 -1.047 0.000) 9.206 5.620 ( -12.459 5.332 0.000) 13.552 5.754 ( -12.089 -1.147 0.000) 12.143 6.728 ( 3.948 3.883 0.000) 5.538 6.792 ( 2.701 2.741 0.000) 3.848 6.821 ( 3.115 1.536 0.000) 3.473 6.826 ( 2.111 -0.762 0.000) 2.245 7.269 ( 4.134 9.326 0.000) 10.201 7.561 ( -5.203 10.512 0.000) 11.729 7.653 ( 3.459 -7.018 0.000) 7.824 7.663 ( 0.665 11.959 0.000) 11.978 7.768 ( -0.730 7.036 0.000) 7.074 7.923 ( -3.283 -3.749 0.000) 4.983 7.944 ( 4.382 5.062 0.000) 6.696 8.031 ( 3.952 -3.798 0.000) 5.481 8.159 ( -1.436 -9.670 0.000) 9.776 8.317 ( 1.641 -9.375 0.000) 9.518 8.425 ( -7.910 5.829 0.000) 9.825 8.698 ( -10.409 -5.738 0.000) 11.886 9.898 ( 1.816 0.560 0.000) 1.901 9.910 ( 2.206 2.924 0.000) 3.663 9.941 ( 2.211 -1.021 0.000) 2.436 9.987 ( 0.221 2.168 0.000) 2.179 10.063 ( 3.520 -0.709 0.000) 3.591 10.208 ( 1.746 -6.347 0.000) 6.583 10.285 ( -2.963 1.096 0.000) 3.159 10.378 ( -3.607 -2.976 0.000) 4.676 10.962 ( -1.330 7.786 0.000) 7.899 11.034 ( -0.179 6.512 0.000) 6.514 11.034 ( -2.735 8.324 0.000) 8.762 11.150 ( -4.198 10.553 0.000) 11.358 11.390 ( 1.741 -6.637 0.000) 6.862 11.473 ( 0.194 -8.033 0.000) 8.035 11.485 ( -3.059 -6.654 0.000) 7.324 11.694 ( -4.638 -8.940 0.000) 10.072 18.673 ( 4.335 3.926 0.000) 5.849 18.711 ( 6.986 4.831 0.000) 8.494 18.757 ( 9.282 0.707 0.000) 9.309 18.818 ( 1.680 0.733 0.000) 1.833 19.061 ( 0.239 8.736 0.000) 8.739 19.247 ( 10.187 3.622 0.000) 10.812 19.272 ( -1.188 8.480 0.000) 8.563 19.397 ( 7.491 5.266 0.000) 9.157 19.477 ( -3.779 1.672 0.000) 4.132 19.620 ( 11.319 2.223 0.000) 11.535 19.675 ( -0.632 1.892 0.000) 1.995 19.739 ( 1.766 5.181 0.000) 5.473 19.945 ( 4.088 -8.903 0.000) 9.796 19.980 ( 5.464 -0.503 0.000) 5.487 20.029 ( 6.573 -7.199 0.000) 9.748 20.159 ( 3.940 -11.103 0.000) 11.782 20.381 ( 4.776 -4.272 0.000) 6.408 20.386 ( -0.436 -3.193 0.000) 3.223 20.527 ( -4.662 -7.628 0.000) 8.940 20.549 ( -2.548 -7.035 0.000) 7.482 21.560 ( -2.935 5.474 0.000) 6.211 21.670 ( -0.420 -0.225 0.000) 0.476 21.711 ( -2.607 -2.393 0.000) 3.539 21.726 ( 0.288 -1.154 0.000) 1.189 22.103 ( 0.059 0.412 0.000) 0.416 22.235 ( -0.092 -4.469 0.000) 4.470 22.268 ( -0.853 -6.769 0.000) 6.822 22.294 ( -0.595 -7.304 0.000) 7.328 22.929 ( -0.757 2.042 0.000) 2.178 22.981 ( -0.452 -1.177 0.000) 1.261 23.055 ( -3.331 2.846 0.000) 4.381 23.183 ( -6.604 -2.911 0.000) 7.217 34.483 ( 4.391 5.779 0.000) 7.258 34.502 ( 4.420 5.819 0.000) 7.307 34.774 ( -3.458 -7.352 0.000) 8.124 34.809 ( -4.367 -8.066 0.000) 9.172 35.589 ( -1.421 2.641 0.000) 3.000 35.591 ( -0.984 1.879 0.000) 2.121 35.673 ( -3.102 -1.529 0.000) 3.458 35.727 ( -5.153 -3.441 0.000) 6.196 78.090 ( -0.404 3.304 0.000) 3.329 78.101 ( -1.281 4.161 0.000) 4.354 78.185 ( -2.673 -0.559 0.000) 2.731 78.234 ( -3.181 -0.370 0.000) 3.202 79.224 ( 7.504 0.313 0.000) 7.511 79.387 ( -0.971 6.472 0.000) 6.545 79.415 ( -2.480 -7.859 0.000) 8.241 80.083 ( -24.531 -26.282 0.000) 35.951 ======================= Grid point 31 (20/50) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.740 -2.813 0.000) 4.680 1.145 ( -8.777 1.439 0.000) 8.894 1.356 ( 8.484 -13.511 0.000) 15.954 1.576 ( -11.355 -14.379 0.000) 18.322 2.189 ( 1.140 2.022 0.000) 2.321 2.209 ( -0.048 3.160 0.000) 3.161 2.419 ( 3.998 -3.288 0.000) 5.176 2.429 ( 3.024 -6.609 0.000) 7.268 2.569 ( 6.534 4.812 0.000) 8.115 2.637 ( 4.360 6.157 0.000) 7.544 2.647 ( 4.374 2.189 0.000) 4.892 2.754 ( -7.152 5.013 0.000) 8.733 2.982 ( 8.300 1.402 0.000) 8.418 3.109 ( -0.035 -0.386 0.000) 0.387 3.154 ( -2.775 -1.449 0.000) 3.130 3.178 ( -5.553 -3.597 0.000) 6.617 3.315 ( -0.663 6.092 0.000) 6.128 3.325 ( -0.630 8.511 0.000) 8.534 3.538 ( 5.684 -4.698 0.000) 7.374 3.549 ( 5.809 0.110 0.000) 5.810 3.689 ( 2.411 2.257 0.000) 3.302 3.741 ( -3.917 -2.125 0.000) 4.457 3.782 ( 1.708 -1.122 0.000) 2.044 3.807 ( 0.507 -2.690 0.000) 2.737 3.997 ( 2.170 2.032 0.000) 2.973 4.025 ( -0.083 2.408 0.000) 2.409 4.087 ( 4.337 -1.948 0.000) 4.754 4.158 ( 3.097 0.859 0.000) 3.214 4.189 ( -4.035 0.471 0.000) 4.062 4.201 ( 1.153 1.449 0.000) 1.852 4.309 ( 1.380 -1.391 0.000) 1.959 4.332 ( -0.602 -1.708 0.000) 1.811 5.247 ( 1.046 5.031 0.000) 5.138 5.277 ( -0.220 4.780 0.000) 4.785 5.313 ( -5.669 4.299 0.000) 7.115 5.367 ( -9.356 4.403 0.000) 10.340 5.381 ( 0.563 -0.356 0.000) 0.666 5.392 ( 3.973 -0.254 0.000) 3.981 5.435 ( -5.036 0.125 0.000) 5.038 5.533 ( -9.454 -1.542 0.000) 9.579 6.795 ( 2.521 3.166 0.000) 4.048 6.821 ( 0.076 2.937 0.000) 2.938 6.859 ( 1.020 -0.355 0.000) 1.080 6.862 ( 0.869 0.702 0.000) 1.117 7.359 ( 4.797 9.545 0.000) 10.682 7.458 ( -5.039 10.045 0.000) 11.238 7.684 ( 1.421 11.053 0.000) 11.144 7.706 ( 0.402 3.700 0.000) 3.722 7.765 ( 2.000 -1.383 0.000) 2.431 7.839 ( -4.286 -6.753 0.000) 7.998 8.076 ( 7.742 5.876 0.000) 9.720 8.094 ( 2.368 -5.920 0.000) 6.376 8.133 ( -1.213 -8.040 0.000) 8.131 8.252 ( -8.985 5.424 0.000) 10.495 8.381 ( 4.893 -7.686 0.000) 9.112 8.512 ( -8.001 -6.163 0.000) 10.099 9.925 ( 0.989 1.134 0.000) 1.505 9.935 ( 0.174 1.999 0.000) 2.007 9.988 ( 1.838 -1.015 0.000) 2.100 10.000 ( 0.585 0.629 0.000) 0.859 10.136 ( 4.065 -0.434 0.000) 4.089 10.221 ( -3.821 0.108 0.000) 3.823 10.246 ( 2.071 -4.536 0.000) 4.987 10.299 ( -3.534 -2.870 0.000) 4.553 10.947 ( 0.225 8.847 0.000) 8.849 10.976 ( -2.508 8.982 0.000) 9.325 11.046 ( 1.264 9.165 0.000) 9.252 11.084 ( -2.520 11.072 0.000) 11.355 11.404 ( 0.451 -8.399 0.000) 8.411 11.430 ( -2.156 -8.331 0.000) 8.606 11.517 ( 3.699 -8.589 0.000) 9.352 11.602 ( -4.525 -9.150 0.000) 10.208 18.752 ( 3.421 5.624 0.000) 6.583 18.793 ( 0.148 5.105 0.000) 5.108 18.865 ( 3.201 3.067 0.000) 4.433 18.884 ( 2.507 0.710 0.000) 2.605 19.096 ( 3.718 8.706 0.000) 9.467 19.202 ( -5.652 9.432 0.000) 10.996 19.407 ( 2.649 -0.332 0.000) 2.670 19.407 ( 2.166 0.131 0.000) 2.170 19.553 ( 4.497 6.740 0.000) 8.103 19.608 ( -3.381 10.380 0.000) 10.916 19.749 ( 1.578 5.777 0.000) 5.989 19.761 ( -0.038 3.822 0.000) 3.822 20.026 ( 5.099 -9.604 0.000) 10.874 20.089 ( -0.196 -6.275 0.000) 6.278 20.133 ( 8.143 -3.860 0.000) 9.012 20.249 ( -0.225 -14.032 0.000) 14.034 20.350 ( -0.108 -1.042 0.000) 1.048 20.413 ( -4.296 -3.263 0.000) 5.395 20.496 ( 2.969 -11.640 0.000) 12.013 20.519 ( -0.330 -8.535 0.000) 8.542 21.533 ( 0.894 4.424 0.000) 4.513 21.597 ( -4.693 1.858 0.000) 5.047 21.727 ( 1.634 -4.560 0.000) 4.844 21.738 ( 0.444 -3.932 0.000) 3.957 22.127 ( 2.613 -1.288 0.000) 2.914 22.198 ( -3.648 -4.576 0.000) 5.852 22.258 ( 0.344 -5.734 0.000) 5.744 22.275 ( -1.130 -6.782 0.000) 6.875 22.936 ( 1.528 1.901 0.000) 2.439 22.986 ( -3.224 2.083 0.000) 3.838 22.996 ( 2.021 -1.133 0.000) 2.316 23.065 ( -4.850 -1.650 0.000) 5.123 34.586 ( 5.694 1.980 0.000) 6.029 34.596 ( 4.885 1.916 0.000) 5.247 34.693 ( -4.552 -2.766 0.000) 5.327 34.704 ( -5.832 -2.926 0.000) 6.525 35.582 ( 0.697 0.719 0.000) 1.001 35.591 ( 1.048 0.114 0.000) 1.054 35.616 ( -2.330 -0.821 0.000) 2.471 35.639 ( -3.427 -1.783 0.000) 3.863 78.090 ( 0.078 2.616 0.000) 2.618 78.092 ( 0.304 2.193 0.000) 2.214 78.144 ( -0.810 0.146 0.000) 0.823 78.169 ( -2.860 -0.074 0.000) 2.860 79.375 ( -0.235 1.361 0.000) 1.381 79.379 ( -0.169 -3.206 0.000) 3.211 79.408 ( 10.037 -4.612 0.000) 11.045 79.674 ( -16.427 -12.608 0.000) 20.708 ======================= Grid point 36 (21/50) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 -21.544 0.000) 21.544 1.295 ( 0.000 21.544 0.000) 21.544 1.704 ( 0.000 -5.589 0.000) 5.589 1.704 ( 0.000 5.589 0.000) 5.589 1.807 ( 0.000 -9.189 0.000) 9.189 1.807 ( 0.000 9.189 0.000) 9.189 2.122 ( 0.000 -11.249 0.000) 11.249 2.122 ( 0.000 11.249 0.000) 11.249 2.561 ( 0.000 -9.036 0.000) 9.036 2.561 ( 0.000 9.036 0.000) 9.036 2.698 ( 0.000 -3.170 0.000) 3.170 2.698 ( 0.000 3.170 0.000) 3.170 2.705 ( 0.000 -5.009 0.000) 5.009 2.705 ( 0.000 5.009 0.000) 5.009 2.869 ( 0.000 -15.501 0.000) 15.501 2.869 ( 0.000 15.501 0.000) 15.501 3.068 ( 0.000 -8.080 0.000) 8.080 3.068 ( 0.000 8.080 0.000) 8.080 3.305 ( 0.000 -7.758 0.000) 7.758 3.305 ( 0.000 7.758 0.000) 7.758 3.576 ( 0.000 -6.473 0.000) 6.473 3.576 ( 0.000 6.473 0.000) 6.473 3.584 ( 0.000 -0.469 0.000) 0.469 3.584 ( 0.000 0.469 0.000) 0.469 3.909 ( 0.000 -17.063 0.000) 17.063 3.909 ( 0.000 17.063 0.000) 17.063 4.030 ( 0.000 -7.224 0.000) 7.224 4.030 ( 0.000 7.224 0.000) 7.224 4.211 ( 0.000 -5.827 0.000) 5.827 4.211 ( 0.000 5.827 0.000) 5.827 4.283 ( 0.000 -8.051 0.000) 8.051 4.283 ( 0.000 8.051 0.000) 8.051 5.380 ( 0.000 -5.746 0.000) 5.746 5.380 ( 0.000 5.746 0.000) 5.746 5.503 ( 0.000 -4.519 0.000) 4.519 5.503 ( 0.000 4.519 0.000) 4.519 5.984 ( 0.000 -5.581 0.000) 5.581 5.984 ( 0.000 5.581 0.000) 5.581 6.141 ( 0.000 -5.163 0.000) 5.163 6.141 ( 0.000 5.163 0.000) 5.163 6.609 ( 0.000 -2.220 0.000) 2.220 6.609 ( 0.000 2.220 0.000) 2.220 6.681 ( 0.000 -3.465 0.000) 3.465 6.681 ( 0.000 3.465 0.000) 3.465 7.352 ( 0.000 -9.823 0.000) 9.823 7.352 ( 0.000 9.823 0.000) 9.823 7.776 ( 0.000 -0.049 0.000) 0.049 7.776 ( 0.000 0.049 0.000) 0.049 7.842 ( 0.000 -4.438 0.000) 4.438 7.842 ( 0.000 4.438 0.000) 4.438 8.056 ( 0.000 -9.193 0.000) 9.193 8.056 ( 0.000 9.193 0.000) 9.193 8.124 ( 0.000 -5.984 0.000) 5.984 8.124 ( 0.000 5.984 0.000) 5.984 8.948 ( 0.000 -13.606 0.000) 13.606 8.948 ( 0.000 13.606 0.000) 13.606 9.890 ( 0.000 -3.332 0.000) 3.332 9.890 ( 0.000 3.332 0.000) 3.332 9.899 ( 0.000 -1.250 0.000) 1.250 9.899 ( 0.000 1.250 0.000) 1.250 10.048 ( 0.000 -4.298 0.000) 4.298 10.048 ( 0.000 4.298 0.000) 4.298 10.386 ( 0.000 -0.996 0.000) 0.996 10.386 ( 0.000 0.996 0.000) 0.996 11.052 ( 0.000 -4.402 0.000) 4.402 11.052 ( 0.000 4.402 0.000) 4.402 11.195 ( 0.000 -7.789 0.000) 7.789 11.195 ( 0.000 7.789 0.000) 7.789 11.387 ( 0.000 -7.018 0.000) 7.018 11.387 ( 0.000 7.018 0.000) 7.018 11.743 ( 0.000 -6.612 0.000) 6.612 11.743 ( 0.000 6.612 0.000) 6.612 18.414 ( 0.000 -8.949 0.000) 8.949 18.414 ( 0.000 8.949 0.000) 8.949 18.490 ( 0.000 -9.319 0.000) 9.319 18.490 ( 0.000 9.319 0.000) 9.319 19.055 ( 0.000 -1.791 0.000) 1.791 19.055 ( 0.000 1.791 0.000) 1.791 19.123 ( 0.000 -11.987 0.000) 11.987 19.123 ( 0.000 11.987 0.000) 11.987 19.248 ( 0.000 -8.625 0.000) 8.625 19.248 ( 0.000 8.625 0.000) 8.625 19.431 ( 0.000 -1.748 0.000) 1.748 19.431 ( 0.000 1.748 0.000) 1.748 19.955 ( 0.000 -6.327 0.000) 6.327 19.955 ( 0.000 6.327 0.000) 6.327 20.006 ( 0.000 -7.058 0.000) 7.058 20.006 ( 0.000 7.058 0.000) 7.058 20.398 ( 0.000 -11.531 0.000) 11.531 20.398 ( 0.000 11.531 0.000) 11.531 20.471 ( 0.000 -2.687 0.000) 2.687 20.471 ( 0.000 2.687 0.000) 2.687 21.805 ( 0.000 -4.639 0.000) 4.639 21.805 ( 0.000 4.639 0.000) 4.639 21.826 ( 0.000 -3.510 0.000) 3.510 21.826 ( 0.000 3.510 0.000) 3.510 22.127 ( 0.000 -4.775 0.000) 4.775 22.127 ( 0.000 4.775 0.000) 4.775 22.148 ( 0.000 -0.269 0.000) 0.269 22.148 ( 0.000 0.269 0.000) 0.269 23.032 ( 0.000 -0.783 0.000) 0.783 23.032 ( 0.000 0.783 0.000) 0.783 23.270 ( 0.000 -8.148 0.000) 8.148 23.270 ( 0.000 8.148 0.000) 8.148 34.600 ( 0.000 -12.315 0.000) 12.315 34.600 ( 0.000 12.315 0.000) 12.315 34.615 ( 0.000 -13.668 0.000) 13.668 34.615 ( 0.000 13.668 0.000) 13.668 35.745 ( 0.000 -2.909 0.000) 2.909 35.745 ( 0.000 2.909 0.000) 2.909 35.819 ( 0.000 -6.511 0.000) 6.511 35.819 ( 0.000 6.511 0.000) 6.511 78.233 ( 0.000 -3.840 0.000) 3.840 78.233 ( 0.000 3.840 0.000) 3.840 78.288 ( 0.000 -3.666 0.000) 3.666 78.288 ( 0.000 3.666 0.000) 3.666 79.228 ( 0.000 -14.484 0.000) 14.484 79.228 ( 0.000 14.484 0.000) 14.484 80.139 ( 0.000 -46.075 0.000) 46.075 80.139 ( 0.000 46.075 0.000) 46.075 ======================= Grid point 38 (22/50) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.168 -18.601 0.000) 19.062 1.339 ( 4.168 18.601 0.000) 19.062 1.659 ( -6.861 -9.348 0.000) 11.596 1.659 ( -6.861 9.348 0.000) 11.596 1.879 ( 7.251 -7.704 0.000) 10.579 1.879 ( 7.251 7.704 0.000) 10.579 2.176 ( 4.690 -9.143 0.000) 10.275 2.176 ( 4.690 9.143 0.000) 10.275 2.547 ( -1.801 -9.568 0.000) 9.736 2.547 ( -1.801 9.568 0.000) 9.736 2.683 ( 0.082 -8.267 0.000) 8.268 2.683 ( 0.082 8.267 0.000) 8.268 2.766 ( 6.279 -5.614 0.000) 8.423 2.766 ( 6.279 5.614 0.000) 8.423 2.867 ( 0.418 -12.650 0.000) 12.657 2.867 ( 0.418 12.650 0.000) 12.657 3.111 ( 4.080 -5.906 0.000) 7.178 3.111 ( 4.080 5.906 0.000) 7.178 3.334 ( 2.228 -4.366 0.000) 4.901 3.334 ( 2.228 4.366 0.000) 4.901 3.600 ( 1.570 -3.794 0.000) 4.106 3.600 ( 1.570 3.794 0.000) 4.106 3.641 ( 5.822 -6.286 0.000) 8.569 3.641 ( 5.822 6.286 0.000) 8.569 3.873 ( -2.562 -12.476 0.000) 12.736 3.873 ( -2.562 12.476 0.000) 12.736 4.071 ( 3.079 -1.632 0.000) 3.484 4.071 ( 3.079 1.632 0.000) 3.484 4.183 ( -2.457 -6.375 0.000) 6.832 4.183 ( -2.457 6.375 0.000) 6.832 4.276 ( -0.694 -8.292 0.000) 8.321 4.276 ( -0.694 8.292 0.000) 8.321 5.367 ( -1.274 -5.444 0.000) 5.591 5.367 ( -1.274 5.444 0.000) 5.591 5.502 ( -0.313 -3.439 0.000) 3.453 5.502 ( -0.313 3.439 0.000) 3.453 5.905 ( -7.203 -4.524 0.000) 8.505 5.905 ( -7.203 4.524 0.000) 8.505 6.091 ( -5.039 -4.234 0.000) 6.582 6.091 ( -5.039 4.234 0.000) 6.582 6.656 ( 4.151 -1.459 0.000) 4.400 6.656 ( 4.151 1.459 0.000) 4.400 6.697 ( 1.574 -3.544 0.000) 3.878 6.697 ( 1.574 3.544 0.000) 3.878 7.365 ( 1.300 -9.775 0.000) 9.861 7.365 ( 1.300 9.775 0.000) 9.861 7.805 ( 2.655 -1.966 0.000) 3.303 7.805 ( 2.655 1.966 0.000) 3.303 7.846 ( 0.259 -3.734 0.000) 3.743 7.846 ( 0.259 3.734 0.000) 3.743 8.024 ( -3.017 -7.737 0.000) 8.304 8.024 ( -3.017 7.737 0.000) 8.304 8.108 ( -1.364 -7.558 0.000) 7.681 8.108 ( -1.364 7.558 0.000) 7.681 8.889 ( -5.535 -12.067 0.000) 13.276 8.889 ( -5.535 12.067 0.000) 13.276 9.887 ( -0.133 -2.847 0.000) 2.850 9.887 ( -0.133 2.847 0.000) 2.850 9.913 ( 1.389 -2.220 0.000) 2.618 9.913 ( 1.389 2.220 0.000) 2.618 10.048 ( 0.061 -4.226 0.000) 4.226 10.048 ( 0.061 4.226 0.000) 4.226 10.389 ( 0.019 -1.160 0.000) 1.160 10.389 ( 0.019 1.160 0.000) 1.160 11.060 ( 0.754 -4.171 0.000) 4.238 11.060 ( 0.754 4.171 0.000) 4.238 11.204 ( 0.795 -7.255 0.000) 7.298 11.204 ( 0.795 7.255 0.000) 7.298 11.376 ( -1.061 -6.631 0.000) 6.715 11.376 ( -1.061 6.631 0.000) 6.715 11.707 ( -3.456 -6.931 0.000) 7.745 11.707 ( -3.456 6.931 0.000) 7.745 18.466 ( 4.899 -6.924 0.000) 8.482 18.466 ( 4.899 6.924 0.000) 8.482 18.542 ( 4.896 -8.116 0.000) 9.479 18.542 ( 4.896 8.116 0.000) 9.479 19.110 ( 5.389 -1.646 0.000) 5.635 19.110 ( 5.389 1.646 0.000) 5.635 19.137 ( 1.259 -8.359 0.000) 8.453 19.137 ( 1.259 8.359 0.000) 8.453 19.312 ( 6.074 -8.750 0.000) 10.652 19.312 ( 6.074 8.750 0.000) 10.652 19.465 ( 3.779 -3.852 0.000) 5.397 19.465 ( 3.779 3.852 0.000) 5.397 19.928 ( -2.528 -4.678 0.000) 5.318 19.928 ( -2.528 4.678 0.000) 5.318 20.011 ( 0.105 -6.604 0.000) 6.604 20.011 ( 0.105 6.604 0.000) 6.604 20.404 ( 0.648 -10.296 0.000) 10.316 20.404 ( 0.648 10.296 0.000) 10.316 20.458 ( -1.268 -4.247 0.000) 4.432 20.458 ( -1.268 4.247 0.000) 4.432 21.784 ( -2.018 -3.935 0.000) 4.422 21.784 ( -2.018 3.935 0.000) 4.422 21.790 ( -3.035 -3.069 0.000) 4.316 21.790 ( -3.035 3.069 0.000) 4.316 22.142 ( 1.197 -4.679 0.000) 4.829 22.142 ( 1.197 4.679 0.000) 4.829 22.158 ( 0.954 -0.455 0.000) 1.057 22.158 ( 0.954 0.455 0.000) 1.057 23.018 ( -1.317 -0.859 0.000) 1.572 23.018 ( -1.317 0.859 0.000) 1.572 23.257 ( -1.504 -7.178 0.000) 7.334 23.257 ( -1.504 7.178 0.000) 7.334 34.601 ( 0.201 -11.789 0.000) 11.791 34.601 ( 0.201 11.789 0.000) 11.791 34.620 ( 0.469 -12.995 0.000) 13.003 34.620 ( 0.469 12.995 0.000) 13.003 35.728 ( -1.598 -2.898 0.000) 3.309 35.728 ( -1.598 2.898 0.000) 3.309 35.793 ( -2.455 -6.071 0.000) 6.548 35.793 ( -2.455 6.071 0.000) 6.548 78.222 ( -1.122 -3.768 0.000) 3.932 78.222 ( -1.122 3.768 0.000) 3.932 78.277 ( -1.146 -3.868 0.000) 4.034 78.277 ( -1.146 3.868 0.000) 4.034 79.228 ( 0.158 -13.068 0.000) 13.069 79.228 ( 0.158 13.068 0.000) 13.069 80.049 ( -8.324 -40.970 0.000) 41.807 80.049 ( -8.324 40.970 0.000) 41.807 ======================= Grid point 40 (23/50) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -15.846 -6.837 0.000) 17.258 1.413 ( -15.846 6.837 0.000) 17.258 1.440 ( 4.778 -13.613 0.000) 14.427 1.440 ( 4.778 13.613 0.000) 14.427 2.054 ( 8.855 -5.869 0.000) 10.623 2.054 ( 8.855 5.869 0.000) 10.623 2.263 ( 2.753 -5.389 0.000) 6.051 2.263 ( 2.753 5.389 0.000) 6.051 2.510 ( -0.699 -7.349 0.000) 7.383 2.510 ( -0.699 7.349 0.000) 7.383 2.696 ( 0.697 -12.170 0.000) 12.190 2.696 ( 0.698 12.170 0.000) 12.190 2.934 ( 9.407 -4.991 0.000) 10.649 2.934 ( 9.407 4.991 0.000) 10.649 2.943 ( 7.066 -11.452 0.000) 13.457 2.943 ( 7.066 11.452 0.000) 13.457 3.217 ( 5.952 -2.199 0.000) 6.345 3.217 ( 5.952 2.199 0.000) 6.345 3.373 ( 1.668 -1.567 0.000) 2.289 3.373 ( 1.668 1.567 0.000) 2.289 3.644 ( 2.663 -6.188 0.000) 6.737 3.644 ( 2.663 6.188 0.000) 6.737 3.771 ( 5.081 -4.227 0.000) 6.609 3.771 ( 5.081 4.227 0.000) 6.609 3.833 ( 0.009 -8.608 0.000) 8.608 3.833 ( 0.009 8.608 0.000) 8.608 4.131 ( -2.167 -7.876 0.000) 8.169 4.131 ( -2.167 7.876 0.000) 8.169 4.134 ( 3.140 -2.699 0.000) 4.141 4.134 ( 3.140 2.699 0.000) 4.141 4.257 ( -1.016 -8.062 0.000) 8.126 4.257 ( -1.016 8.062 0.000) 8.126 5.335 ( -1.671 -4.519 0.000) 4.818 5.335 ( -1.671 4.519 0.000) 4.818 5.480 ( -2.066 -2.028 0.000) 2.895 5.480 ( -2.066 2.028 0.000) 2.895 5.725 ( -10.026 -3.029 0.000) 10.473 5.725 ( -10.026 3.029 0.000) 10.473 5.940 ( -9.898 -3.430 0.000) 10.475 5.940 ( -9.898 3.430 0.000) 10.475 6.740 ( 2.571 -3.226 0.000) 4.125 6.740 ( 2.571 3.226 0.000) 4.125 6.750 ( 4.716 -0.736 0.000) 4.774 6.750 ( 4.716 0.736 0.000) 4.774 7.404 ( 2.646 -9.660 0.000) 10.016 7.404 ( 2.646 9.660 0.000) 10.016 7.840 ( -1.471 -2.911 0.000) 3.262 7.840 ( -1.471 2.911 0.000) 3.262 7.868 ( 3.202 -4.119 0.000) 5.217 7.868 ( 3.202 4.119 0.000) 5.217 7.954 ( -3.070 -7.288 0.000) 7.908 7.954 ( -3.070 7.288 0.000) 7.908 8.087 ( -0.240 -9.455 0.000) 9.458 8.087 ( -0.240 9.455 0.000) 9.458 8.744 ( -8.486 -9.034 0.000) 12.394 8.744 ( -8.486 9.034 0.000) 12.394 9.891 ( 0.737 -1.711 0.000) 1.863 9.891 ( 0.737 1.711 0.000) 1.863 9.949 ( 2.009 -3.561 0.000) 4.088 9.949 ( 2.009 3.561 0.000) 4.088 10.055 ( 0.855 -4.380 0.000) 4.463 10.055 ( 0.855 4.380 0.000) 4.463 10.373 ( -1.754 -2.000 0.000) 2.661 10.373 ( -1.754 2.000 0.000) 2.661 11.080 ( 1.100 -3.312 0.000) 3.490 11.080 ( 1.100 3.312 0.000) 3.490 11.216 ( 0.082 -6.262 0.000) 6.263 11.216 ( 0.082 6.262 0.000) 6.263 11.349 ( -1.506 -5.212 0.000) 5.425 11.349 ( -1.506 5.212 0.000) 5.425 11.613 ( -5.548 -7.624 0.000) 9.429 11.613 ( -5.548 7.624 0.000) 9.429 18.593 ( 7.270 -2.419 0.000) 7.662 18.593 ( 7.270 2.419 0.000) 7.662 18.667 ( 6.830 -5.607 0.000) 8.837 18.667 ( 6.830 5.607 0.000) 8.837 19.172 ( 2.363 -1.321 0.000) 2.707 19.172 ( 2.363 1.321 0.000) 2.707 19.261 ( 8.994 -2.229 0.000) 9.266 19.261 ( 8.994 2.229 0.000) 9.266 19.460 ( 7.458 -6.725 0.000) 10.042 19.460 ( 7.458 6.725 0.000) 10.042 19.588 ( 8.125 -1.786 0.000) 8.319 19.588 ( 8.125 1.786 0.000) 8.319 19.874 ( -1.845 -0.831 0.000) 2.023 19.874 ( -1.845 0.831 0.000) 2.023 19.996 ( -1.708 -6.203 0.000) 6.434 19.996 ( -1.708 6.203 0.000) 6.434 20.423 ( 0.970 -7.599 0.000) 7.660 20.423 ( 0.970 7.599 0.000) 7.660 20.425 ( -1.872 -6.040 0.000) 6.323 20.425 ( -1.872 6.040 0.000) 6.323 21.726 ( -3.020 -2.414 0.000) 3.866 21.726 ( -3.020 2.414 0.000) 3.866 21.730 ( -3.166 -3.144 0.000) 4.462 21.730 ( -3.166 3.144 0.000) 4.462 22.161 ( 0.475 -4.871 0.000) 4.894 22.161 ( 0.475 4.871 0.000) 4.894 22.179 ( 0.943 -0.833 0.000) 1.258 22.179 ( 0.943 0.833 0.000) 1.258 22.985 ( -1.722 -0.856 0.000) 1.923 22.985 ( -1.722 0.856 0.000) 1.923 23.205 ( -3.628 -5.097 0.000) 6.256 23.205 ( -3.628 5.097 0.000) 6.256 34.608 ( 0.464 -10.113 0.000) 10.124 34.608 ( 0.464 10.113 0.000) 10.124 34.632 ( 0.652 -10.954 0.000) 10.973 34.632 ( 0.652 10.954 0.000) 10.973 35.685 ( -2.535 -2.728 0.000) 3.724 35.685 ( -2.535 2.728 0.000) 3.724 35.728 ( -3.778 -4.935 0.000) 6.215 35.728 ( -3.778 4.935 0.000) 6.215 78.190 ( -1.876 -3.376 0.000) 3.862 78.190 ( -1.876 3.376 0.000) 3.862 78.242 ( -2.323 -4.126 0.000) 4.735 78.242 ( -2.323 4.127 0.000) 4.735 79.240 ( 1.114 -9.438 0.000) 9.503 79.240 ( 1.114 9.438 0.000) 9.503 79.842 ( -11.344 -29.019 0.000) 31.157 79.842 ( -11.344 29.019 0.000) 31.157 ======================= Grid point 42 (24/50) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -9.905 -7.290 0.000) 12.299 1.127 ( -9.905 7.290 0.000) 12.299 1.465 ( -3.778 -11.944 0.000) 12.527 1.465 ( -3.778 11.944 0.000) 12.527 2.201 ( 5.501 -4.749 0.000) 7.267 2.201 ( 5.501 4.749 0.000) 7.267 2.291 ( 1.239 -5.122 0.000) 5.270 2.291 ( 1.239 5.122 0.000) 5.270 2.542 ( 3.648 -3.063 0.000) 4.763 2.542 ( 3.648 3.063 0.000) 4.764 2.730 ( 2.708 -10.149 0.000) 10.504 2.730 ( 2.708 10.149 0.000) 10.504 3.058 ( 2.458 -11.456 0.000) 11.717 3.058 ( 2.458 11.456 0.000) 11.717 3.096 ( 5.370 -4.410 0.000) 6.948 3.096 ( 5.370 4.410 0.000) 6.948 3.330 ( 5.177 -2.751 0.000) 5.863 3.330 ( 5.177 2.751 0.000) 5.863 3.423 ( 3.876 -2.525 0.000) 4.626 3.423 ( 3.876 2.525 0.000) 4.626 3.700 ( 2.699 -4.713 0.000) 5.431 3.700 ( 2.699 4.713 0.000) 5.431 3.768 ( -1.728 -3.413 0.000) 3.825 3.768 ( -1.728 3.413 0.000) 3.825 3.933 ( 6.210 -2.396 0.000) 6.656 3.933 ( 6.210 2.396 0.000) 6.656 4.108 ( -0.473 -5.608 0.000) 5.628 4.108 ( -0.473 5.608 0.000) 5.628 4.200 ( 3.402 -4.219 0.000) 5.420 4.200 ( 3.402 4.219 0.000) 5.420 4.249 ( 0.577 -5.383 0.000) 5.414 4.249 ( 0.577 5.383 0.000) 5.414 5.310 ( -0.498 -2.577 0.000) 2.625 5.310 ( -0.498 2.577 0.000) 2.625 5.420 ( -3.550 -1.136 0.000) 3.727 5.420 ( -3.550 1.136 0.000) 3.727 5.527 ( -9.135 -2.167 0.000) 9.389 5.527 ( -9.135 2.167 0.000) 9.389 5.710 ( -12.323 -3.128 0.000) 12.714 5.710 ( -12.323 3.128 0.000) 12.714 6.795 ( 2.731 -2.307 0.000) 3.575 6.795 ( 2.731 2.307 0.000) 3.575 6.830 ( 2.918 -0.742 0.000) 3.011 6.830 ( 2.918 0.742 0.000) 3.011 7.471 ( 3.984 -9.486 0.000) 10.289 7.471 ( 3.984 9.486 0.000) 10.289 7.770 ( -4.947 -8.739 0.000) 10.042 7.770 ( -4.947 8.739 0.000) 10.042 7.919 ( 1.667 -6.556 0.000) 6.765 7.919 ( 1.667 6.556 0.000) 6.765 7.924 ( -0.326 -11.916 0.000) 11.920 7.924 ( -0.326 11.916 0.000) 11.920 8.116 ( 3.386 -9.115 0.000) 9.723 8.116 ( 3.386 9.115 0.000) 9.723 8.562 ( -9.365 -6.827 0.000) 11.589 8.562 ( -9.365 6.827 0.000) 11.589 9.919 ( 1.879 -1.128 0.000) 2.192 9.919 ( 1.879 1.128 0.000) 2.192 9.981 ( 0.903 -3.099 0.000) 3.228 9.981 ( 0.903 3.099 0.000) 3.228 10.091 ( 2.814 -4.174 0.000) 5.034 10.091 ( 2.814 4.174 0.000) 5.034 10.320 ( -3.408 -2.303 0.000) 4.114 10.320 ( -3.408 2.303 0.000) 4.114 11.102 ( 1.070 -3.205 0.000) 3.379 11.102 ( 1.070 3.205 0.000) 3.379 11.200 ( -1.642 -6.250 0.000) 6.462 11.200 ( -1.642 6.250 0.000) 6.462 11.326 ( -0.490 -3.572 0.000) 3.606 11.326 ( -0.490 3.572 0.000) 3.606 11.498 ( -5.545 -8.430 0.000) 10.090 11.498 ( -5.545 8.430 0.000) 10.090 18.740 ( 6.897 -2.196 0.000) 7.238 18.740 ( 6.897 2.196 0.000) 7.238 18.793 ( 5.401 -2.728 0.000) 6.051 18.793 ( 5.401 2.728 0.000) 6.051 19.232 ( 3.400 -5.735 0.000) 6.667 19.232 ( 3.400 5.735 0.000) 6.667 19.405 ( 2.548 -3.898 0.000) 4.657 19.405 ( 2.548 3.898 0.000) 4.657 19.587 ( 6.869 -6.858 0.000) 9.706 19.587 ( 6.869 6.858 0.000) 9.706 19.762 ( 8.349 -5.904 0.000) 10.225 19.762 ( 8.349 5.904 0.000) 10.225 19.899 ( 4.050 -4.861 0.000) 6.327 19.899 ( 4.050 4.861 0.000) 6.327 19.951 ( -2.461 -7.555 0.000) 7.946 19.951 ( -2.461 7.555 0.000) 7.946 20.390 ( -1.372 -4.566 0.000) 4.767 20.390 ( -1.372 4.566 0.000) 4.767 20.431 ( -0.322 -4.820 0.000) 4.830 20.431 ( -0.322 4.820 0.000) 4.830 21.669 ( -2.644 -4.315 0.000) 5.060 21.669 ( -2.644 4.315 0.000) 5.060 21.675 ( -2.006 -0.926 0.000) 2.209 21.675 ( -2.006 0.926 0.000) 2.209 22.161 ( -0.293 -4.890 0.000) 4.899 22.161 ( -0.293 4.890 0.000) 4.899 22.188 ( -0.191 -0.651 0.000) 0.679 22.188 ( -0.191 0.651 0.000) 0.679 22.959 ( -0.579 -1.055 0.000) 1.203 22.959 ( -0.579 1.055 0.000) 1.203 23.118 ( -4.785 -3.133 0.000) 5.719 23.118 ( -4.785 3.133 0.000) 5.719 34.620 ( 0.716 -7.073 0.000) 7.109 34.620 ( 0.716 7.073 0.000) 7.109 34.643 ( 0.380 -7.450 0.000) 7.460 34.643 ( 0.380 7.450 0.000) 7.460 35.634 ( -2.338 -2.064 0.000) 3.119 35.634 ( -2.338 2.064 0.000) 3.119 35.654 ( -3.335 -3.359 0.000) 4.734 35.654 ( -3.335 3.359 0.000) 4.734 78.153 ( -1.676 -2.426 0.000) 2.949 78.153 ( -1.676 2.426 0.000) 2.949 78.189 ( -2.701 -3.637 0.000) 4.530 78.189 ( -2.701 3.637 0.000) 4.530 79.277 ( 2.700 -4.761 0.000) 5.474 79.277 ( 2.700 4.761 0.000) 5.474 79.626 ( -9.632 -16.555 0.000) 19.153 79.626 ( -9.632 16.555 0.000) 19.153 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 5.974 -10.400 0.000) 11.993 1.088 ( 5.974 10.400 0.000) 11.994 1.292 ( -11.751 -11.454 0.000) 16.410 1.292 ( -11.751 11.454 0.000) 16.410 2.282 ( 2.847 -6.330 0.000) 6.941 2.282 ( 2.847 6.330 0.000) 6.941 2.313 ( 0.038 -5.867 0.000) 5.867 2.313 ( 0.038 5.867 0.000) 5.868 2.650 ( 6.732 -2.204 0.000) 7.083 2.650 ( 6.732 2.204 0.000) 7.083 2.756 ( -1.980 -4.194 0.000) 4.638 2.756 ( -1.980 4.194 0.000) 4.638 3.069 ( 0.983 -5.734 0.000) 5.818 3.069 ( 0.983 5.734 0.000) 5.818 3.118 ( -2.356 -1.788 0.000) 2.958 3.118 ( -2.356 1.788 0.000) 2.958 3.434 ( 4.819 -5.148 0.000) 7.052 3.434 ( 4.819 5.148 0.000) 7.052 3.486 ( 0.575 -6.005 0.000) 6.032 3.486 ( 0.575 6.005 0.000) 6.032 3.742 ( 1.084 -2.484 0.000) 2.711 3.742 ( 1.084 2.484 0.000) 2.711 3.747 ( -0.179 -2.415 0.000) 2.422 3.747 ( -0.179 2.415 0.000) 2.422 4.039 ( 4.036 -2.072 0.000) 4.537 4.039 ( 4.036 2.072 0.000) 4.537 4.092 ( -1.436 -3.660 0.000) 3.931 4.092 ( -1.436 3.660 0.000) 3.931 4.260 ( 2.200 -3.080 0.000) 3.785 4.260 ( 2.200 3.080 0.000) 3.786 4.273 ( 0.934 -3.867 0.000) 3.978 4.273 ( 0.934 3.867 0.000) 3.978 5.333 ( 2.760 -2.249 0.000) 3.560 5.333 ( 2.760 2.249 0.000) 3.560 5.365 ( -0.475 -1.703 0.000) 1.768 5.365 ( -0.475 1.703 0.000) 1.768 5.384 ( -4.554 -2.182 0.000) 5.050 5.384 ( -4.554 2.182 0.000) 5.050 5.479 ( -9.741 -3.325 0.000) 10.293 5.479 ( -9.741 3.325 0.000) 10.293 6.843 ( 1.870 -1.357 0.000) 2.310 6.843 ( 1.870 1.357 0.000) 2.310 6.861 ( 0.205 -0.881 0.000) 0.905 6.861 ( 0.205 0.881 0.000) 0.905 7.561 ( 4.909 -9.247 0.000) 10.470 7.561 ( 4.909 9.247 0.000) 10.470 7.665 ( -5.315 -9.103 0.000) 10.541 7.665 ( -5.315 9.103 0.000) 10.541 7.926 ( 0.442 -10.877 0.000) 10.886 7.926 ( 0.442 10.877 0.000) 10.886 7.934 ( -0.033 -8.930 0.000) 8.930 7.934 ( -0.033 8.930 0.000) 8.930 8.220 ( 6.751 -7.376 0.000) 9.999 8.220 ( 6.751 7.376 0.000) 9.999 8.378 ( -8.762 -6.342 0.000) 10.817 8.378 ( -8.762 6.342 0.000) 10.817 9.958 ( 1.828 -1.714 0.000) 2.506 9.958 ( 1.828 1.714 0.000) 2.506 9.984 ( -0.601 -2.114 0.000) 2.198 9.984 ( -0.601 2.114 0.000) 2.198 10.161 ( 3.972 -3.028 0.000) 4.995 10.161 ( 3.972 3.028 0.000) 4.995 10.243 ( -4.076 -2.059 0.000) 4.567 10.243 ( -4.076 2.059 0.000) 4.567 11.124 ( 1.306 -5.868 0.000) 6.012 11.124 ( 1.306 5.868 0.000) 6.012 11.159 ( -2.124 -6.913 0.000) 7.232 11.159 ( -2.124 6.913 0.000) 7.232 11.339 ( 1.901 -6.236 0.000) 6.519 11.339 ( 1.901 6.236 0.000) 6.519 11.400 ( -4.088 -8.473 0.000) 9.407 11.400 ( -4.088 8.473 0.000) 9.407 18.851 ( 3.623 -3.421 0.000) 4.982 18.851 ( 3.623 3.421 0.000) 4.982 18.869 ( 1.767 -2.007 0.000) 2.674 18.869 ( 1.767 2.007 0.000) 2.674 19.297 ( 3.127 -8.365 0.000) 8.931 19.297 ( 3.127 8.365 0.000) 8.931 19.368 ( -3.834 -5.046 0.000) 6.337 19.368 ( -3.834 5.046 0.000) 6.337 19.753 ( 7.998 -12.084 0.000) 14.491 19.753 ( 7.998 12.084 0.000) 14.491 19.866 ( -1.800 -12.656 0.000) 12.784 19.866 ( -1.800 12.656 0.000) 12.784 19.924 ( 2.668 -12.357 0.000) 12.642 19.924 ( 2.668 12.357 0.000) 12.642 19.962 ( 0.734 -11.399 0.000) 11.422 19.962 ( 0.734 11.399 0.000) 11.422 20.383 ( 0.814 -1.528 0.000) 1.731 20.383 ( 0.814 1.528 0.000) 1.731 20.411 ( -1.516 -3.513 0.000) 3.827 20.411 ( -1.516 3.513 0.000) 3.827 21.635 ( -0.571 -5.239 0.000) 5.270 21.635 ( -0.571 5.239 0.000) 5.270 21.643 ( -1.171 -3.028 0.000) 3.247 21.643 ( -1.171 3.028 0.000) 3.247 22.159 ( 0.280 -3.875 0.000) 3.885 22.159 ( 0.280 3.875 0.000) 3.885 22.174 ( -1.007 -1.931 0.000) 2.178 22.174 ( -1.007 1.931 0.000) 2.178 22.970 ( 1.715 -1.350 0.000) 2.183 22.970 ( 1.715 1.350 0.000) 2.183 23.027 ( -3.909 -1.881 0.000) 4.338 23.027 ( -3.909 1.881 0.000) 4.338 34.635 ( 0.694 -2.632 0.000) 2.722 34.635 ( 0.694 2.632 0.000) 2.722 34.645 ( -0.226 -2.626 0.000) 2.635 34.645 ( -0.226 2.626 0.000) 2.635 35.600 ( -0.874 -0.651 0.000) 1.090 35.600 ( -0.874 0.651 0.000) 1.090 35.604 ( -1.403 -1.404 0.000) 1.984 35.604 ( -1.403 1.404 0.000) 1.984 78.131 ( -0.309 -1.342 0.000) 1.377 78.131 ( -0.309 1.342 0.000) 1.377 78.144 ( -1.577 -2.194 0.000) 2.702 78.144 ( -1.577 2.194 0.000) 2.702 79.350 ( 4.524 -0.660 0.000) 4.572 79.350 ( 4.524 0.660 0.000) 4.572 79.462 ( -6.781 -7.146 0.000) 9.852 79.462 ( -6.781 7.146 0.000) 9.852 ======================= Grid point 81 (26/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 0.000 22.063) 22.063 0.515 ( 0.000 0.000 22.327) 22.327 0.844 ( 0.000 0.000 13.768) 13.768 0.980 ( 0.000 0.000 -18.113) 18.113 1.172 ( 0.000 0.000 6.940) 6.940 1.824 ( 0.000 0.000 -29.154) 29.154 1.880 ( 0.000 0.000 9.490) 9.490 2.067 ( 0.000 0.000 -6.352) 6.352 2.075 ( 0.000 0.000 15.775) 15.775 2.362 ( 0.000 0.000 -7.521) 7.521 2.481 ( 0.000 0.000 7.619) 7.619 2.674 ( 0.000 0.000 -7.861) 7.861 2.706 ( 0.000 0.000 5.236) 5.236 2.831 ( 0.000 0.000 -4.966) 4.966 2.879 ( 0.000 0.000 4.930) 4.930 2.963 ( 0.000 0.000 -0.242) 0.242 2.981 ( 0.000 0.000 -2.827) 2.827 3.000 ( 0.000 0.000 -3.844) 3.844 3.064 ( 0.000 0.000 4.798) 4.798 3.216 ( 0.000 0.000 -8.697) 8.697 3.687 ( 0.000 0.000 8.107) 8.107 3.801 ( 0.000 0.000 -2.092) 2.092 3.870 ( 0.000 0.000 9.863) 9.863 4.059 ( 0.000 0.000 -6.219) 6.219 4.218 ( 0.000 0.000 -0.392) 0.392 4.227 ( 0.000 0.000 -1.151) 1.151 4.578 ( 0.000 0.000 4.767) 4.767 4.676 ( 0.000 0.000 -2.768) 2.768 4.713 ( 0.000 0.000 0.201) 0.201 4.727 ( 0.000 0.000 -1.229) 1.229 4.816 ( 0.000 0.000 -0.243) 0.243 4.833 ( 0.000 0.000 -1.736) 1.736 4.987 ( 0.000 0.000 6.978) 6.978 5.134 ( 0.000 0.000 -5.213) 5.213 5.424 ( 0.000 0.000 0.475) 0.475 5.468 ( 0.000 0.000 -3.790) 3.790 5.638 ( 0.000 0.000 1.467) 1.467 5.651 ( 0.000 0.000 0.738) 0.738 6.293 ( 0.000 0.000 1.610) 1.610 6.295 ( 0.000 0.000 2.202) 2.202 6.341 ( 0.000 0.000 -1.359) 1.359 6.412 ( 0.000 0.000 -7.621) 7.621 6.499 ( 0.000 0.000 1.712) 1.712 6.548 ( 0.000 0.000 -2.223) 2.223 6.976 ( 0.000 0.000 14.837) 14.837 7.274 ( 0.000 0.000 -10.411) 10.411 7.411 ( 0.000 0.000 1.341) 1.341 7.449 ( 0.000 0.000 -1.584) 1.584 7.623 ( 0.000 0.000 9.985) 9.985 7.737 ( 0.000 0.000 -0.067) 0.067 7.903 ( 0.000 0.000 -0.163) 0.163 8.041 ( 0.000 0.000 -10.825) 10.825 8.493 ( 0.000 0.000 3.491) 3.491 8.569 ( 0.000 0.000 -2.686) 2.686 8.602 ( 0.000 0.000 2.882) 2.882 8.644 ( 0.000 0.000 -0.357) 0.357 9.821 ( 0.000 0.000 0.855) 0.855 9.861 ( 0.000 0.000 -2.971) 2.971 9.863 ( 0.000 0.000 3.308) 3.308 9.943 ( 0.000 0.000 -3.166) 3.166 10.166 ( 0.000 0.000 8.730) 8.730 10.339 ( 0.000 0.000 -5.832) 5.832 10.497 ( 0.000 0.000 -0.239) 0.239 10.503 ( 0.000 0.000 -0.642) 0.642 10.963 ( 0.000 0.000 2.860) 2.860 11.044 ( 0.000 0.000 -4.067) 4.067 11.415 ( 0.000 0.000 2.220) 2.220 11.453 ( 0.000 0.000 7.611) 7.611 11.509 ( 0.000 0.000 -6.267) 6.267 11.612 ( 0.000 0.000 -5.622) 5.622 11.922 ( 0.000 0.000 8.371) 8.371 12.075 ( 0.000 0.000 -4.870) 4.870 17.881 ( 0.000 0.000 1.132) 1.132 17.956 ( 0.000 0.000 -4.496) 4.496 18.164 ( 0.000 0.000 11.363) 11.363 18.425 ( 0.000 0.000 -10.384) 10.384 18.575 ( 0.000 0.000 0.261) 0.261 18.579 ( 0.000 0.000 -0.112) 0.112 19.120 ( 0.000 0.000 1.903) 1.903 19.167 ( 0.000 0.000 -1.828) 1.828 19.363 ( 0.000 0.000 2.752) 2.752 19.422 ( 0.000 0.000 2.219) 2.219 19.456 ( 0.000 0.000 -5.103) 5.103 19.464 ( 0.000 0.000 -1.206) 1.206 19.625 ( 0.000 0.000 6.319) 6.319 19.763 ( 0.000 0.000 -5.026) 5.026 20.185 ( 0.000 0.000 9.679) 9.679 20.402 ( 0.000 0.000 -8.283) 8.283 20.743 ( 0.000 0.000 2.519) 2.519 20.803 ( 0.000 0.000 -2.326) 2.326 21.099 ( 0.000 0.000 2.601) 2.601 21.174 ( 0.000 0.000 -3.579) 3.579 21.518 ( 0.000 0.000 1.063) 1.063 21.541 ( 0.000 0.000 -0.634) 0.634 21.655 ( 0.000 0.000 2.839) 2.839 21.719 ( 0.000 0.000 -2.417) 2.417 22.180 ( 0.000 0.000 7.651) 7.651 22.381 ( 0.000 0.000 -8.927) 8.927 22.501 ( 0.000 0.000 2.316) 2.316 22.561 ( 0.000 0.000 -2.592) 2.592 22.803 ( 0.000 0.000 1.993) 1.993 22.846 ( 0.000 0.000 -1.565) 1.565 22.994 ( 0.000 0.000 4.634) 4.634 23.082 ( 0.000 0.000 -2.821) 2.821 33.979 ( 0.000 0.000 0.699) 0.699 33.997 ( 0.000 0.000 -0.706) 0.706 35.466 ( 0.000 0.000 0.095) 0.095 35.468 ( 0.000 0.000 -0.105) 0.105 35.533 ( 0.000 0.000 0.666) 0.666 35.549 ( 0.000 0.000 -0.659) 0.659 36.390 ( 0.000 0.000 0.170) 0.170 36.394 ( 0.000 0.000 -0.168) 0.168 77.961 ( 0.000 0.000 0.156) 0.156 77.965 ( 0.000 0.000 -0.156) 0.156 78.138 ( 0.000 0.000 2.406) 2.406 78.198 ( 0.000 0.000 -2.489) 2.489 78.985 ( 0.000 0.000 5.528) 5.528 79.120 ( 0.000 0.000 -5.434) 5.434 85.898 ( 0.000 0.000 0.531) 0.531 85.911 ( 0.000 0.000 -0.531) 0.531 ======================= Grid point 82 (27/50) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 13.341 0.000 16.677) 21.357 0.665 ( 13.857 0.000 17.294) 22.161 0.983 ( 12.491 0.000 -0.557) 12.503 1.067 ( 8.550 0.000 -16.540) 18.619 1.297 ( 13.059 0.000 13.397) 18.709 1.879 ( 5.662 0.000 -21.226) 21.968 1.934 ( 4.794 0.000 4.705) 6.717 2.089 ( 2.342 0.000 10.118) 10.385 2.117 ( 3.660 0.000 -0.788) 3.743 2.375 ( 1.313 0.000 -7.241) 7.359 2.487 ( 0.702 0.000 5.943) 5.984 2.621 ( -3.063 0.000 -3.293) 4.497 2.780 ( 4.947 0.000 0.058) 4.947 2.833 ( 0.320 0.000 -3.106) 3.122 2.896 ( 1.269 0.000 4.253) 4.439 2.976 ( 0.959 0.000 -2.166) 2.369 3.019 ( 5.241 0.000 0.237) 5.246 3.048 ( 4.746 0.000 -3.517) 5.907 3.166 ( 7.512 0.000 2.067) 7.791 3.256 ( 4.006 0.000 -6.013) 7.226 3.598 ( -7.104 0.000 9.869) 12.160 3.776 ( -2.921 0.000 -4.981) 5.775 3.894 ( 1.396 0.000 7.351) 7.483 4.024 ( -2.630 0.000 -4.853) 5.520 4.205 ( -1.253 0.000 -0.088) 1.256 4.216 ( -1.350 0.000 -0.501) 1.440 4.543 ( -3.703 0.000 5.200) 6.384 4.573 ( -11.494 0.000 3.378) 11.980 4.619 ( -8.964 0.000 -1.156) 9.039 4.651 ( -3.614 0.000 -3.394) 4.958 4.777 ( -3.985 0.000 -0.114) 3.986 4.804 ( -3.308 0.000 -2.315) 4.038 4.997 ( 0.964 0.000 6.326) 6.399 5.130 ( -0.122 0.000 -4.662) 4.664 5.410 ( -1.612 0.000 -0.022) 1.612 5.447 ( -2.285 0.000 -3.737) 4.380 5.568 ( -7.368 0.000 0.552) 7.388 5.584 ( -6.075 0.000 -0.191) 6.078 6.144 ( -12.680 0.000 5.138) 13.682 6.206 ( -8.047 0.000 -0.883) 8.095 6.349 ( 4.869 0.000 2.002) 5.265 6.442 ( 3.372 0.000 -6.443) 7.271 6.572 ( 3.033 0.000 2.996) 4.263 6.616 ( 5.225 0.000 -1.428) 5.417 6.970 ( -0.309 0.000 13.403) 13.407 7.260 ( -1.248 0.000 -11.188) 11.258 7.288 ( -5.478 0.000 4.970) 7.397 7.370 ( -5.836 0.000 -2.167) 6.225 7.662 ( 2.721 0.000 8.844) 9.253 7.757 ( 1.893 0.000 -1.133) 2.206 7.942 ( 3.607 0.000 3.007) 4.696 8.111 ( 3.117 0.000 -4.737) 5.670 8.506 ( 0.129 0.000 -5.027) 5.029 8.535 ( -3.174 0.000 -2.771) 4.214 8.614 ( 0.644 0.000 3.004) 3.072 8.681 ( 2.971 0.000 -3.045) 4.254 9.813 ( -0.365 0.000 0.567) 0.674 9.840 ( -0.340 0.000 -1.363) 1.404 9.899 ( 1.517 0.000 1.353) 2.033 9.951 ( 0.565 0.000 -2.166) 2.239 10.086 ( -4.801 0.000 11.109) 12.102 10.301 ( -2.431 0.000 -7.897) 8.263 10.470 ( -3.151 0.000 7.132) 7.797 10.520 ( 1.415 0.000 0.293) 1.445 10.923 ( -5.710 0.000 3.170) 6.531 10.999 ( -4.775 0.000 -3.591) 5.975 11.023 ( -20.237 0.000 8.957) 22.131 11.128 ( -19.282 0.000 -1.394) 19.332 11.531 ( 2.109 0.000 6.316) 6.659 11.634 ( 4.161 0.000 -3.637) 5.526 11.927 ( 0.057 0.000 7.670) 7.670 12.069 ( -1.289 0.000 -4.587) 4.765 18.089 ( 14.845 0.000 7.507) 16.635 18.320 ( 14.800 0.000 9.636) 17.661 18.376 ( 13.865 0.000 -16.504) 21.555 18.545 ( 5.384 0.000 -6.403) 8.366 18.598 ( 2.954 0.000 0.515) 2.998 18.651 ( 15.866 0.000 -8.474) 17.987 19.062 ( -11.493 0.000 1.151) 11.550 19.089 ( -11.525 0.000 -1.251) 11.592 19.191 ( 2.718 0.000 1.226) 2.982 19.222 ( 4.178 0.000 -1.261) 4.364 19.568 ( -3.890 0.000 5.905) 7.071 19.694 ( 6.157 0.000 3.743) 7.205 19.706 ( 1.490 0.000 -5.230) 5.438 19.759 ( 7.410 0.000 -2.351) 7.775 20.220 ( 2.551 0.000 6.262) 6.762 20.370 ( -2.055 0.000 -5.729) 6.087 20.803 ( 4.902 0.000 7.444) 8.913 20.991 ( 6.601 0.000 -3.021) 7.260 21.202 ( 5.270 0.000 -9.804) 11.131 21.229 ( 4.519 0.000 -4.997) 6.738 21.406 ( -8.104 0.000 0.040) 8.104 21.408 ( -4.712 0.000 -0.756) 4.772 21.764 ( 5.860 0.000 3.739) 6.951 21.904 ( 12.149 0.000 -10.933) 16.345 22.184 ( 0.671 0.000 7.655) 7.684 22.375 ( -0.228 0.000 -8.026) 8.029 22.517 ( 1.691 0.000 1.772) 2.449 22.553 ( -0.513 0.000 -1.305) 1.402 22.759 ( -3.264 0.000 4.785) 5.792 22.790 ( -0.577 0.000 0.227) 0.620 23.100 ( 1.040 0.000 -1.428) 1.766 23.118 ( 5.991 0.000 -6.311) 8.702 34.032 ( 4.544 0.000 -0.624) 4.587 34.033 ( 3.547 0.000 -0.337) 3.563 35.471 ( 0.330 0.000 -0.013) 0.330 35.473 ( -0.132 0.000 -0.214) 0.252 35.499 ( -2.915 0.000 0.669) 2.991 35.510 ( -4.225 0.000 -0.056) 4.226 36.109 ( -17.616 0.000 13.424) 22.148 36.264 ( -11.048 0.000 -2.858) 11.412 77.958 ( -0.278 0.000 0.263) 0.383 77.964 ( -0.018 0.000 -0.271) 0.271 78.145 ( 0.580 0.000 2.262) 2.335 78.201 ( 0.047 0.000 -2.212) 2.213 79.025 ( 3.946 0.000 5.011) 6.378 79.148 ( 2.691 0.000 -4.945) 5.630 83.231 (-149.752 0.000 121.681) 192.955 84.725 ( -98.798 0.000 -29.715) 103.170 ======================= Grid point 83 (28/50) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 20.440 0.000 10.624) 23.036 1.012 ( 19.370 0.000 10.371) 21.972 1.300 ( 18.242 0.000 -12.348) 22.028 1.308 ( 14.858 0.000 -13.455) 20.045 1.661 ( 21.806 0.000 15.051) 26.496 2.038 ( 7.700 0.000 4.257) 8.799 2.060 ( 9.336 0.000 -12.485) 15.590 2.160 ( 4.348 0.000 13.997) 14.657 2.203 ( 4.575 0.000 -5.825) 7.407 2.415 ( 2.527 0.000 -6.848) 7.299 2.497 ( -0.112 0.000 1.990) 1.993 2.558 ( -3.313 0.000 -2.754) 4.308 2.835 ( 0.058 0.000 0.500) 0.503 2.847 ( 0.492 0.000 -0.918) 1.042 2.962 ( 6.577 0.000 3.412) 7.409 3.038 ( 5.328 0.000 -2.541) 5.903 3.142 ( 5.464 0.000 0.718) 5.511 3.154 ( 3.185 0.000 -1.194) 3.402 3.339 ( 9.501 0.000 1.084) 9.562 3.380 ( 8.450 0.000 -1.518) 8.585 3.477 ( -2.655 0.000 7.584) 8.035 3.692 ( -4.490 0.000 -9.104) 10.151 3.909 ( 0.166 0.000 4.208) 4.211 3.965 ( -3.367 0.000 -1.890) 3.861 4.166 ( -2.766 0.000 0.363) 2.790 4.174 ( -2.672 0.000 0.958) 2.839 4.297 ( -14.981 0.000 3.935) 15.489 4.375 ( -13.903 0.000 -2.554) 14.136 4.450 ( -5.553 0.000 5.999) 8.175 4.560 ( -5.794 0.000 -2.092) 6.160 4.662 ( -7.186 0.000 -0.276) 7.191 4.698 ( -7.055 0.000 -3.630) 7.934 5.021 ( 1.408 0.000 5.419) 5.599 5.134 ( 0.709 0.000 -3.497) 3.568 5.316 ( -9.974 0.000 -0.889) 10.013 5.361 ( -6.577 0.000 -4.605) 8.029 5.396 ( -6.689 0.000 2.148) 7.026 5.442 ( -7.136 0.000 -1.600) 7.313 5.893 ( -12.609 0.000 5.630) 13.809 5.997 ( -12.229 0.000 -3.031) 12.599 6.461 ( 5.664 0.000 1.685) 5.909 6.527 ( 4.560 0.000 -4.207) 6.205 6.612 ( 1.445 0.000 5.250) 5.446 6.718 ( 4.369 0.000 -3.228) 5.432 6.982 ( 1.842 0.000 11.319) 11.468 7.230 ( -0.849 0.000 1.785) 1.977 7.254 ( 0.314 0.000 -10.824) 10.829 7.268 ( -3.870 0.000 -1.055) 4.011 7.720 ( 3.216 0.000 7.065) 7.763 7.811 ( 3.399 0.000 -2.243) 4.072 8.035 ( 5.505 0.000 6.859) 8.795 8.141 ( 0.302 0.000 3.466) 3.479 8.436 ( -6.782 0.000 -3.601) 7.679 8.495 ( -0.661 0.000 -11.050) 11.069 8.611 ( -1.201 0.000 4.807) 4.955 8.724 ( 0.882 0.000 -5.650) 5.718 9.822 ( 1.393 0.000 0.381) 1.444 9.850 ( 1.073 0.000 -2.488) 2.709 9.925 ( 2.271 0.000 2.628) 3.473 9.971 ( 1.948 0.000 -1.403) 2.401 10.063 ( 1.624 0.000 8.746) 8.896 10.277 ( 0.088 0.000 -9.218) 9.219 10.377 ( -6.039 0.000 12.695) 14.058 10.535 ( -0.315 0.000 -0.354) 0.474 10.734 ( -6.194 0.000 -2.023) 6.516 10.742 ( -15.073 0.000 -3.285) 15.427 10.873 ( -4.501 0.000 2.241) 5.029 10.919 ( -5.827 0.000 -1.667) 6.061 11.600 ( 4.208 0.000 4.482) 6.148 11.696 ( 2.461 0.000 -3.712) 4.454 11.915 ( -1.298 0.000 5.729) 5.874 12.026 ( -2.890 0.000 -3.717) 4.709 18.358 ( 11.539 0.000 7.114) 13.556 18.501 ( 1.632 0.000 -3.815) 4.150 18.516 ( 3.110 0.000 3.771) 4.887 18.619 ( 3.633 0.000 -4.351) 5.669 18.788 ( 7.595 0.000 1.722) 7.788 18.827 ( -0.957 0.000 -2.233) 2.429 18.911 ( 4.073 0.000 4.988) 6.440 19.102 ( 10.180 0.000 -10.625) 14.715 19.313 ( 7.911 0.000 1.652) 8.081 19.355 ( 8.431 0.000 -1.739) 8.608 19.482 ( -2.691 0.000 4.337) 5.104 19.621 ( -5.623 0.000 -6.632) 8.695 19.787 ( 3.721 0.000 4.787) 6.064 19.883 ( 1.193 0.000 -3.262) 3.474 20.298 ( 5.899 0.000 3.528) 6.874 20.391 ( 5.403 0.000 -4.404) 6.971 20.848 ( -3.195 0.000 9.047) 9.595 21.005 ( -9.069 0.000 -3.523) 9.729 21.128 ( -1.781 0.000 6.414) 6.656 21.254 ( -0.320 0.000 -0.160) 0.357 21.368 ( 3.701 0.000 -3.861) 5.348 21.449 ( 3.874 0.000 -6.537) 7.598 21.825 ( -0.532 0.000 5.647) 5.672 22.033 ( -0.149 0.000 -12.660) 12.661 22.232 ( 4.738 0.000 7.206) 8.624 22.394 ( 2.478 0.000 -6.487) 6.944 22.556 ( 1.116 0.000 1.339) 1.743 22.571 ( 3.260 0.000 0.612) 3.317 22.755 ( 2.488 0.000 3.587) 4.365 22.796 ( 1.146 0.000 -0.946) 1.486 23.100 ( -1.365 0.000 -0.049) 1.366 23.173 ( -0.217 0.000 -8.278) 8.281 34.136 ( 6.711 0.000 0.219) 6.715 34.148 ( 7.065 0.000 -0.927) 7.125 35.347 ( -10.956 0.000 1.821) 11.106 35.362 ( -9.306 0.000 -0.056) 9.306 35.497 ( 1.453 0.000 0.361) 1.497 35.505 ( 1.647 0.000 -0.236) 1.664 35.858 ( -8.045 0.000 8.827) 11.943 36.020 ( -11.757 0.000 -4.738) 12.676 77.955 ( 0.172 0.000 0.531) 0.558 77.968 ( 0.528 0.000 -0.537) 0.753 78.153 ( 0.034 0.000 1.758) 1.758 78.193 ( -0.972 0.000 -1.302) 1.625 79.140 ( 7.516 0.000 3.400) 8.249 79.224 ( 4.803 0.000 -3.386) 5.877 81.191 ( -64.714 0.000 80.315) 103.143 82.674 ( -94.495 0.000 -44.473) 104.437 ======================= Grid point 84 (29/50) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 18.416 0.000 4.833) 19.040 1.426 ( 20.054 0.000 5.657) 20.836 1.633 ( 16.684 0.000 -9.584) 19.241 1.680 ( 18.330 0.000 -10.886) 21.319 2.117 ( 21.312 0.000 10.365) 23.699 2.159 ( 4.960 0.000 4.811) 6.910 2.238 ( 3.855 0.000 5.057) 6.359 2.271 ( 8.175 0.000 -0.865) 8.220 2.300 ( 5.270 0.000 -0.041) 5.270 2.463 ( 1.719 0.000 -5.335) 5.605 2.473 ( -2.006 0.000 0.340) 2.035 2.495 ( -1.822 0.000 -3.452) 3.903 2.862 ( 2.207 0.000 -0.102) 2.209 2.871 ( 4.131 0.000 0.340) 4.145 3.063 ( -2.164 0.000 4.525) 5.016 3.142 ( -7.033 0.000 -2.470) 7.454 3.153 ( 4.685 0.000 -1.029) 4.797 3.157 ( 4.054 0.000 -2.274) 4.649 3.519 ( 4.262 0.000 0.442) 4.285 3.526 ( 7.772 0.000 0.296) 7.778 3.589 ( 10.926 0.000 0.962) 10.969 3.644 ( -0.316 0.000 -4.923) 4.933 3.901 ( -2.201 0.000 0.968) 2.404 3.913 ( 0.573 0.000 0.210) 0.611 4.008 ( -11.636 0.000 3.550) 12.166 4.058 ( -9.478 0.000 -1.255) 9.561 4.107 ( -4.419 0.000 2.411) 5.034 4.133 ( -7.555 0.000 -0.247) 7.559 4.346 ( -4.094 0.000 4.434) 6.035 4.428 ( -6.623 0.000 -0.763) 6.667 4.507 ( -7.645 0.000 -0.262) 7.650 4.536 ( -8.383 0.000 -3.575) 9.114 5.043 ( -0.242 0.000 2.904) 2.914 5.091 ( -9.976 0.000 0.548) 9.991 5.168 ( 2.686 0.000 -1.132) 2.915 5.238 ( -2.817 0.000 -5.410) 6.099 5.259 ( -8.063 0.000 1.468) 8.195 5.292 ( -8.351 0.000 -1.297) 8.451 5.642 ( -11.915 0.000 4.456) 12.721 5.738 ( -12.979 0.000 -3.338) 13.401 6.559 ( 3.933 0.000 1.535) 4.222 6.616 ( 4.337 0.000 -3.727) 5.718 6.638 ( 1.085 0.000 4.991) 5.108 6.775 ( 1.140 0.000 -6.192) 6.296 7.046 ( 4.199 0.000 10.060) 10.901 7.215 ( -1.670 0.000 1.533) 2.266 7.228 ( 0.639 0.000 -0.639) 0.904 7.269 ( 0.732 0.000 -7.524) 7.559 7.797 ( 4.544 0.000 5.607) 7.217 7.890 ( 4.385 0.000 -3.023) 5.326 8.127 ( -1.827 0.000 4.090) 4.480 8.158 ( 6.421 0.000 6.862) 9.398 8.269 ( -9.142 0.000 -0.834) 9.180 8.502 ( 1.736 0.000 -12.820) 12.937 8.560 ( -4.000 0.000 6.823) 7.909 8.713 ( -1.922 0.000 -6.394) 6.677 9.873 ( 3.701 0.000 -0.225) 3.708 9.876 ( 1.805 0.000 -0.733) 1.948 10.006 ( 4.942 0.000 1.324) 5.117 10.035 ( 3.931 0.000 -0.878) 4.028 10.096 ( 0.607 0.000 7.030) 7.056 10.247 ( -5.933 0.000 8.756) 10.577 10.287 ( 0.205 0.000 -8.876) 8.879 10.430 ( -9.614 0.000 -6.713) 11.726 10.585 ( -0.541 0.000 3.829) 3.867 10.665 ( -1.508 0.000 -3.250) 3.583 10.782 ( -4.452 0.000 1.237) 4.621 10.802 ( -5.782 0.000 -0.469) 5.801 11.689 ( 4.533 0.000 2.285) 5.076 11.740 ( 2.024 0.000 -2.003) 2.847 11.878 ( -2.279 0.000 3.792) 4.424 11.957 ( -3.952 0.000 -2.759) 4.820 18.495 ( 2.334 0.000 1.062) 2.564 18.512 ( 0.271 0.000 -0.278) 0.388 18.559 ( 0.743 0.000 3.910) 3.980 18.622 ( -2.349 0.000 -1.295) 2.683 18.845 ( 6.678 0.000 -0.035) 6.678 18.874 ( 4.906 0.000 -1.492) 5.128 19.133 ( 8.027 0.000 3.630) 8.810 19.173 ( -2.886 0.000 -0.776) 2.988 19.437 ( 1.285 0.000 -0.024) 1.285 19.505 ( 6.754 0.000 -5.556) 8.746 19.561 ( 2.560 0.000 -0.397) 2.590 19.573 ( 9.604 0.000 -0.963) 9.652 19.850 ( 3.128 0.000 1.232) 3.362 19.860 ( -0.726 0.000 0.400) 0.829 20.444 ( 4.860 0.000 1.563) 5.106 20.501 ( -2.706 0.000 -3.116) 4.127 20.749 ( 2.549 0.000 0.328) 2.570 20.761 ( -8.674 0.000 -0.679) 8.701 21.129 ( -1.033 0.000 9.213) 9.271 21.320 ( 4.151 0.000 0.374) 4.168 21.405 ( -0.000 0.000 -2.696) 2.696 21.520 ( 3.855 0.000 -4.923) 6.252 21.751 ( -5.882 0.000 7.098) 9.218 21.945 ( -7.246 0.000 -8.912) 11.487 22.375 ( 8.949 0.000 4.495) 10.014 22.469 ( 4.632 0.000 -3.827) 6.008 22.601 ( 3.043 0.000 2.425) 3.891 22.623 ( 1.546 0.000 1.165) 1.935 22.823 ( 1.131 0.000 0.364) 1.188 22.832 ( 4.560 0.000 0.322) 4.572 23.039 ( -4.677 0.000 0.917) 4.766 23.127 ( -3.985 0.000 -7.090) 8.133 34.303 ( 9.953 0.000 0.464) 9.964 34.318 ( 9.839 0.000 -0.755) 9.868 35.091 ( -13.893 0.000 1.892) 14.021 35.121 ( -14.216 0.000 -0.711) 14.234 35.535 ( 2.293 0.000 0.495) 2.346 35.548 ( 2.599 0.000 -0.501) 2.647 35.739 ( -4.636 0.000 3.734) 5.953 35.824 ( -7.786 0.000 -3.075) 8.371 77.971 ( 1.510 0.000 0.759) 1.690 77.989 ( 1.649 0.000 -0.755) 1.814 78.138 ( -1.719 0.000 1.063) 2.022 78.158 ( -2.439 0.000 -0.520) 2.494 79.330 ( 11.643 0.000 0.419) 11.650 79.340 ( 6.805 0.000 -0.397) 6.817 80.266 ( -32.407 0.000 37.964) 49.914 81.105 ( -61.568 0.000 -30.121) 68.541 ======================= Grid point 85 (30/50) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 13.682 0.000 0.805) 13.705 1.766 ( 13.135 0.000 -1.048) 13.177 1.890 ( 4.201 0.000 -4.286) 6.001 1.899 ( -0.579 0.000 -2.761) 2.821 2.242 ( 5.492 0.000 4.111) 6.860 2.334 ( 0.028 0.000 9.576) 9.576 2.343 ( 10.744 0.000 -0.641) 10.763 2.375 ( 5.065 0.000 -0.117) 5.067 2.414 ( -0.709 0.000 3.447) 3.519 2.462 ( -1.002 0.000 -1.087) 1.478 2.486 ( -2.686 0.000 -1.773) 3.218 2.519 ( 5.315 0.000 -2.703) 5.963 2.928 ( -2.860 0.000 2.067) 3.529 2.929 ( 4.037 0.000 -1.392) 4.270 2.976 ( -2.185 0.000 -5.394) 5.820 2.996 ( -2.246 0.000 -2.476) 3.342 3.219 ( 4.989 0.000 2.941) 5.791 3.300 ( 9.062 0.000 -4.323) 10.041 3.436 ( -13.573 0.000 2.543) 13.809 3.499 ( -8.070 0.000 -2.737) 8.522 3.749 ( 8.871 0.000 2.876) 9.326 3.775 ( 7.955 0.000 0.648) 7.981 3.885 ( -1.954 0.000 3.248) 3.790 3.910 ( -2.889 0.000 -0.291) 2.903 3.926 ( 1.585 0.000 0.601) 1.695 3.960 ( 1.059 0.000 -1.147) 1.561 3.991 ( -5.650 0.000 0.844) 5.713 4.004 ( -4.824 0.000 0.413) 4.841 4.309 ( 0.764 0.000 1.048) 1.297 4.337 ( -1.211 0.000 -0.556) 1.332 4.375 ( -5.251 0.000 0.285) 5.259 4.391 ( -5.626 0.000 -1.576) 5.843 4.976 ( -0.362 0.000 1.877) 1.911 5.022 ( 0.691 0.000 -1.784) 1.913 5.071 ( -8.500 0.000 2.152) 8.768 5.115 ( -7.934 0.000 -1.325) 8.044 5.267 ( 6.412 0.000 0.450) 6.427 5.302 ( 7.445 0.000 -2.511) 7.857 5.427 ( -9.423 0.000 2.597) 9.774 5.494 ( -11.155 0.000 -2.734) 11.485 6.620 ( 2.212 0.000 2.195) 3.116 6.647 ( -0.406 0.000 3.616) 3.638 6.701 ( 3.927 0.000 -5.071) 6.414 6.764 ( -2.113 0.000 -6.539) 6.872 7.129 ( 3.663 0.000 7.511) 8.356 7.184 ( -1.869 0.000 4.393) 4.774 7.250 ( 1.322 0.000 -2.114) 2.493 7.271 ( -0.588 0.000 -4.179) 4.220 7.908 ( 6.756 0.000 3.625) 7.668 7.982 ( 4.631 0.000 -2.690) 5.356 8.069 ( -3.809 0.000 -0.005) 3.809 8.070 ( -9.145 0.000 0.061) 9.145 8.310 ( 7.419 0.000 9.463) 12.024 8.453 ( -6.480 0.000 8.319) 10.545 8.565 ( 4.171 0.000 -10.491) 11.290 8.652 ( -4.026 0.000 -7.898) 8.865 9.934 ( 4.008 0.000 1.768) 4.381 9.970 ( 5.842 0.000 -1.166) 5.957 10.028 ( -4.503 0.000 3.663) 5.805 10.073 ( -2.296 0.000 -0.720) 2.406 10.117 ( 3.522 0.000 3.808) 5.187 10.174 ( -2.129 0.000 4.428) 4.913 10.266 ( -0.641 0.000 -7.602) 7.629 10.300 ( -2.957 0.000 -6.214) 6.882 10.613 ( 2.847 0.000 2.569) 3.834 10.660 ( 0.978 0.000 -1.696) 1.958 10.693 ( -4.908 0.000 0.849) 4.981 10.703 ( -3.209 0.000 -0.059) 3.210 11.780 ( 4.564 0.000 0.167) 4.567 11.782 ( 2.163 0.000 0.041) 2.163 11.828 ( -2.477 0.000 1.964) 3.161 11.871 ( -4.459 0.000 -1.532) 4.715 18.522 ( 1.041 0.000 0.792) 1.308 18.528 ( 1.428 0.000 0.365) 1.474 18.545 ( -1.263 0.000 1.699) 2.117 18.569 ( -2.563 0.000 -0.237) 2.574 18.977 ( 5.178 0.000 1.334) 5.347 19.019 ( 8.675 0.000 -2.523) 9.035 19.081 ( -5.181 0.000 1.716) 5.458 19.157 ( -4.422 0.000 -4.143) 6.060 19.476 ( 4.349 0.000 5.761) 7.219 19.571 ( -3.696 0.000 6.059) 7.097 19.630 ( 5.088 0.000 -6.577) 8.316 19.689 ( 0.295 0.000 -3.920) 3.931 19.974 ( 12.022 0.000 0.549) 12.035 19.992 ( 12.310 0.000 -0.906) 12.343 20.262 ( -15.255 0.000 0.690) 15.271 20.285 ( -15.113 0.000 -1.232) 15.163 20.855 ( 11.445 0.000 4.366) 12.249 20.981 ( 14.549 0.000 -6.286) 15.849 21.051 ( -7.036 0.000 7.407) 10.216 21.242 ( -10.309 0.000 -8.676) 13.474 21.488 ( 6.617 0.000 6.980) 9.618 21.622 ( -6.612 0.000 7.091) 9.695 21.623 ( 6.538 0.000 -4.336) 7.845 21.779 ( -8.611 0.000 -6.042) 10.519 22.557 ( 8.065 0.000 0.241) 8.069 22.563 ( 4.297 0.000 -0.454) 4.321 22.624 ( -1.516 0.000 1.647) 2.239 22.644 ( -0.072 0.000 0.089) 0.115 22.845 ( 1.800 0.000 3.269) 3.732 22.925 ( -5.873 0.000 3.036) 6.612 22.927 ( 4.909 0.000 -3.033) 5.770 23.030 ( -5.272 0.000 -5.561) 7.663 34.535 ( 13.074 0.000 0.248) 13.076 34.541 ( 12.374 0.000 -0.288) 12.378 34.808 ( -13.960 0.000 0.673) 13.977 34.820 ( -15.070 0.000 -0.363) 15.075 35.589 ( 3.048 0.000 0.865) 3.168 35.610 ( 3.656 0.000 -0.846) 3.753 35.657 ( -3.715 0.000 1.700) 4.086 35.697 ( -5.119 0.000 -1.557) 5.351 78.017 ( 3.072 0.000 0.735) 3.159 78.035 ( 2.856 0.000 -0.695) 2.940 78.085 ( -3.317 0.000 0.677) 3.385 78.099 ( -3.295 0.000 -0.425) 3.322 79.507 ( 10.299 0.000 5.091) 11.488 79.630 ( 19.221 0.000 -4.840) 19.821 79.780 ( -17.721 0.000 15.897) 23.807 80.155 ( -34.847 0.000 -14.475) 37.734 ======================= Grid point 90 (31/50) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 15.978 15.690) 22.394 0.751 ( 0.000 18.365 15.338) 23.927 0.911 ( 0.000 7.569 20.282) 21.648 1.085 ( 0.000 9.294 -15.404) 17.990 1.264 ( 0.000 10.564 -1.300) 10.644 1.792 ( 0.000 -2.176 -23.395) 23.496 1.943 ( 0.000 5.358 8.364) 9.933 2.113 ( 0.000 3.699 -5.858) 6.928 2.119 ( 0.000 3.806 9.805) 10.518 2.344 ( 0.000 -0.970 -5.510) 5.595 2.520 ( 0.000 2.844 6.001) 6.641 2.652 ( 0.000 -4.454 5.407) 7.005 2.708 ( 0.000 2.442 -9.424) 9.735 2.790 ( 0.000 -3.638 -5.810) 6.855 2.940 ( 0.000 5.393 4.049) 6.744 2.979 ( 0.000 2.268 -1.198) 2.565 2.983 ( 0.000 3.045 1.343) 3.328 3.029 ( 0.000 -3.451 4.333) 5.540 3.103 ( 0.000 7.172 -6.374) 9.595 3.157 ( 0.000 -5.581 -6.981) 8.938 3.619 ( 0.000 -5.845 7.676) 9.648 3.739 ( 0.000 -5.530 -2.825) 6.210 3.831 ( 0.000 -3.692 9.730) 10.407 4.010 ( 0.000 -3.888 -5.856) 7.029 4.117 ( 0.000 -9.103 0.634) 9.125 4.137 ( 0.000 -7.130 -0.936) 7.191 4.529 ( 0.000 -4.652 4.087) 6.193 4.568 ( 0.000 -9.575 2.707) 9.951 4.617 ( 0.000 -9.597 -1.826) 9.769 4.635 ( 0.000 -4.479 -3.835) 5.896 4.773 ( 0.000 -5.311 -0.171) 5.314 4.785 ( 0.000 -3.377 -0.848) 3.482 5.079 ( 0.000 5.160 4.021) 6.542 5.186 ( 0.000 4.109 -4.335) 5.973 5.471 ( 0.000 4.024 -0.245) 4.032 5.501 ( 0.000 1.948 -3.070) 3.636 5.667 ( 0.000 3.587 1.984) 4.100 5.690 ( 0.000 3.469 0.419) 3.495 6.263 ( 0.000 -3.729 3.539) 5.140 6.278 ( 0.000 -0.646 0.437) 0.780 6.345 ( 0.000 3.255 3.608) 4.859 6.460 ( 0.000 3.888 -7.217) 8.197 6.513 ( 0.000 1.339 1.990) 2.398 6.568 ( 0.000 1.830 -2.419) 3.033 7.012 ( 0.000 2.988 14.546) 14.850 7.316 ( 0.000 2.666 -10.418) 10.753 7.380 ( 0.000 2.405 4.235) 4.870 7.479 ( 0.000 3.169 -3.092) 4.428 7.651 ( 0.000 2.186 7.786) 8.087 7.721 ( 0.000 -1.527 0.268) 1.551 7.903 ( 0.000 0.354 2.242) 2.269 8.091 ( 0.000 4.681 -11.457) 12.377 8.451 ( 0.000 3.308 19.737) 20.013 8.571 ( 0.000 -3.002 2.883) 4.162 8.615 ( 0.000 -2.834 -0.430) 2.866 8.864 ( 0.000 13.073 -19.169) 23.202 9.819 ( 0.000 -0.124 0.818) 0.828 9.825 ( 0.000 -2.323 4.375) 4.954 9.858 ( 0.000 -0.203 -2.967) 2.974 9.915 ( 0.000 -2.118 -1.180) 2.425 10.161 ( 0.000 -0.437 8.757) 8.767 10.333 ( 0.000 -0.487 -5.789) 5.809 10.435 ( 0.000 -3.996 2.084) 4.507 10.508 ( 0.000 -1.356 -3.552) 3.802 10.950 ( 0.000 -1.262 3.064) 3.313 11.032 ( 0.000 -1.746 -3.664) 4.059 11.309 ( 0.000 -7.865 14.683) 16.657 11.383 ( 0.000 -2.970 2.201) 3.697 11.476 ( 0.000 -3.068 -6.203) 6.920 11.493 ( 0.000 -3.583 -2.751) 4.517 11.892 ( 0.000 -2.825 8.357) 8.821 12.045 ( 0.000 -2.814 -4.883) 5.635 17.931 ( 0.000 4.682 1.404) 4.888 18.006 ( 0.000 4.571 -3.799) 5.944 18.231 ( 0.000 6.312 9.966) 11.797 18.477 ( 0.000 4.828 -10.070) 11.168 18.703 ( 0.000 9.607 1.611) 9.741 18.775 ( 0.000 11.416 -5.409) 12.633 19.144 ( 0.000 2.299 1.677) 2.845 19.193 ( 0.000 2.684 -2.675) 3.790 19.267 ( 0.000 -8.714 5.152) 10.123 19.375 ( 0.000 -6.520 -3.780) 7.537 19.389 ( 0.000 -3.991 2.599) 4.762 19.425 ( 0.000 -0.848 0.046) 0.849 19.719 ( 0.000 6.778 2.641) 7.274 19.785 ( 0.000 2.162 -2.730) 3.482 20.040 ( 0.000 -9.946 17.996) 20.561 20.257 ( 0.000 -14.542 4.082) 15.104 20.366 ( 0.000 -0.950 5.509) 5.591 20.739 ( 0.000 -10.030 -16.700) 19.480 21.023 ( 0.000 -6.649 1.448) 6.805 21.065 ( 0.000 -8.810 -1.925) 9.018 21.584 ( 0.000 4.365 0.265) 4.373 21.597 ( 0.000 5.065 -0.582) 5.098 21.644 ( 0.000 1.162 11.469) 11.528 21.960 ( 0.000 3.646 -17.044) 17.430 22.170 ( 0.000 -0.933 7.342) 7.401 22.358 ( 0.000 -2.228 -8.069) 8.371 22.483 ( 0.000 -5.086 1.986) 5.460 22.504 ( 0.000 -4.168 -0.297) 4.179 22.888 ( 0.000 10.880 10.018) 14.790 22.997 ( 0.000 0.398 3.678) 3.699 23.068 ( 0.000 -1.178 -2.319) 2.601 23.222 ( 0.000 16.734 -22.304) 27.884 34.023 ( 0.000 4.107 0.647) 4.157 34.039 ( 0.000 3.981 -0.653) 4.034 35.391 ( 0.000 -7.579 0.542) 7.598 35.396 ( 0.000 -6.717 -0.032) 6.717 35.552 ( 0.000 1.763 0.579) 1.856 35.566 ( 0.000 1.554 -0.573) 1.656 36.123 ( 0.000 -14.168 13.468) 19.548 36.283 ( 0.000 -8.635 -3.045) 9.156 77.987 ( 0.000 2.364 0.263) 2.378 77.993 ( 0.000 2.587 -0.236) 2.597 78.167 ( 0.000 2.734 2.012) 3.394 78.218 ( 0.000 1.790 -2.089) 2.751 78.979 ( 0.000 -0.384 5.613) 5.626 79.116 ( 0.000 -0.123 -5.521) 5.522 83.142 ( 0.000 -137.061 127.183) 186.979 84.882 ( 0.000 -96.380 -41.922) 105.103 ======================= Grid point 91 (32/50) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 5.749 9.698 15.904) 19.495 0.946 ( 7.399 10.922 7.035) 14.951 1.068 ( 14.181 15.437 0.308) 20.964 1.230 ( 14.077 9.048 2.052) 16.859 1.386 ( 11.038 9.866 -1.559) 14.887 1.840 ( 4.879 -2.380 -15.118) 16.063 1.987 ( 3.766 4.466 2.307) 6.281 2.128 ( 1.934 2.410 -3.737) 4.849 2.168 ( 4.185 5.066 7.992) 10.347 2.373 ( 2.347 -0.280 -4.169) 4.792 2.503 ( -1.102 0.952 3.353) 3.656 2.580 ( -4.186 -3.699 -1.057) 5.686 2.778 ( 3.031 -1.362 -2.060) 3.910 2.810 ( 2.928 0.084 -3.910) 4.886 2.955 ( 1.229 5.206 4.259) 6.838 3.016 ( 2.157 2.672 -0.266) 3.444 3.035 ( 4.937 2.306 0.847) 5.514 3.070 ( 5.657 -0.601 -0.745) 5.737 3.157 ( 4.977 1.260 -2.488) 5.705 3.207 ( 4.935 -3.254 -6.240) 8.596 3.553 ( -5.290 -3.873 9.138) 11.247 3.722 ( -1.970 -4.787 -4.814) 7.069 3.850 ( 1.456 -4.040 7.288) 8.459 3.971 ( -2.238 -4.476 -3.934) 6.365 4.117 ( -0.385 -7.511 1.643) 7.698 4.156 ( 0.859 -4.973 -1.194) 5.186 4.468 ( -8.752 -7.631 2.795) 11.943 4.491 ( -4.826 -5.594 3.426) 8.144 4.525 ( -7.781 -7.795 -0.961) 11.056 4.608 ( -2.712 -4.403 -4.085) 6.590 4.740 ( -3.548 -4.908 -0.254) 6.062 4.754 ( -3.270 -3.285 -0.934) 4.728 5.069 ( -0.562 4.882 4.866) 6.916 5.179 ( -0.518 3.974 -4.195) 5.802 5.449 ( -2.462 3.228 -0.783) 4.135 5.471 ( -3.111 1.484 -2.866) 4.483 5.610 ( -5.810 4.201 1.483) 7.321 5.636 ( -4.992 4.673 -0.239) 6.842 6.126 ( -10.801 -1.221 5.443) 12.157 6.197 ( -7.881 -0.771 -1.255) 8.017 6.379 ( 4.238 3.058 2.761) 5.911 6.483 ( 2.961 3.385 -6.393) 7.817 6.581 ( 3.849 1.185 3.151) 5.113 6.638 ( 5.120 1.676 -1.892) 5.710 7.010 ( 0.013 3.462 13.431) 13.870 7.299 ( -1.279 3.388 -5.756) 6.800 7.338 ( -2.503 5.048 -1.863) 5.935 7.417 ( -4.943 4.381 -2.925) 7.224 7.673 ( 1.763 1.074 6.656) 6.969 7.741 ( 1.790 -1.621 -0.676) 2.508 7.940 ( 3.412 0.243 4.265) 5.468 8.137 ( 2.933 2.854 -8.124) 9.096 8.427 ( -2.117 0.488 12.567) 12.753 8.560 ( -1.599 -2.891 2.139) 3.936 8.618 ( 0.349 -1.862 0.965) 2.126 8.840 ( -2.405 10.321 -16.887) 19.937 9.806 ( -0.326 -0.696 0.616) 0.985 9.824 ( 0.170 -0.986 -0.231) 1.026 9.884 ( 1.898 -0.548 1.080) 2.251 9.939 ( 1.973 -0.944 -0.428) 2.229 10.102 ( -4.104 0.960 8.778) 9.737 10.291 ( -2.442 -0.960 -6.714) 7.209 10.458 ( -0.977 -1.525 2.352) 2.969 10.484 ( -0.377 -2.824 0.671) 2.927 10.929 ( -2.131 -0.188 2.422) 3.232 10.983 ( -6.805 -1.336 0.068) 6.935 11.046 ( -11.927 2.669 5.080) 13.235 11.162 ( -17.767 3.121 -3.725) 18.420 11.490 ( 3.704 -3.379 5.691) 7.585 11.601 ( 3.985 -2.993 -4.198) 6.516 11.893 ( -0.173 -3.136 7.600) 8.223 12.035 ( -1.330 -3.156 -4.552) 5.697 18.109 ( 13.924 2.324 5.370) 15.104 18.252 ( 13.534 -2.308 -1.758) 13.841 18.414 ( 16.238 3.474 0.112) 16.606 18.556 ( 6.074 4.266 -6.820) 10.079 18.716 ( 1.708 8.753 2.254) 9.199 18.815 ( 3.991 7.331 -6.832) 10.787 19.022 ( -9.497 -2.881 3.159) 10.415 19.106 ( -8.848 1.620 -4.185) 9.922 19.197 ( 4.118 1.161 2.404) 4.908 19.250 ( 4.470 2.986 -1.933) 5.712 19.582 ( 1.513 -0.134 5.259) 5.474 19.693 ( 7.977 -0.175 -2.157) 8.265 19.737 ( 4.005 2.294 0.174) 4.619 19.754 ( 0.645 0.381 -1.828) 1.975 20.160 ( 7.853 -7.783 4.861) 12.078 20.276 ( -1.066 -8.457 -4.025) 9.426 20.464 ( 13.623 -16.035 15.634) 26.213 20.788 ( 4.583 -13.183 -11.796) 18.274 21.036 ( 0.513 -8.542 1.317) 8.658 21.082 ( 0.399 -10.015 -2.294) 10.283 21.465 ( -5.996 4.455 0.758) 7.508 21.506 ( -6.064 6.693 -2.544) 9.383 21.749 ( 5.095 -0.077 9.158) 10.481 21.993 ( 0.673 0.092 -10.280) 10.302 22.176 ( 1.198 -1.240 3.794) 4.167 22.345 ( -0.864 -2.576 -7.871) 8.327 22.498 ( 1.583 -4.157 2.220) 4.971 22.524 ( 1.741 -3.627 -0.377) 4.041 22.844 ( -2.720 9.576 8.064) 12.811 22.971 ( -2.429 5.603 0.334) 6.116 23.085 ( 1.170 -0.822 -0.409) 1.487 23.232 ( 0.124 9.277 -16.410) 18.851 34.067 ( 4.078 3.495 -0.116) 5.372 34.072 ( 3.252 3.691 -0.344) 4.931 35.373 ( -2.273 -8.338 1.001) 8.700 35.382 ( -1.768 -7.249 -0.069) 7.462 35.533 ( -1.595 2.154 0.508) 2.728 35.544 ( -1.873 2.058 -0.344) 2.804 36.002 ( -8.991 -6.653 12.631) 16.871 36.185 ( -8.746 -6.502 -4.267) 11.703 77.981 ( -0.449 2.209 0.315) 2.276 77.988 ( -0.362 2.262 -0.240) 2.304 78.174 ( 0.525 2.664 1.778) 3.245 78.218 ( -0.122 1.605 -1.750) 2.378 79.018 ( 3.825 -0.504 5.104) 6.398 79.143 ( 2.591 -0.232 -5.039) 5.671 82.145 ( -72.678 -71.626 114.147) 153.108 83.932 ( -79.239 -69.316 -46.339) 115.025 ======================= Grid point 92 (33/50) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 16.534 -0.156 7.126) 18.005 1.134 ( 11.056 -1.224 -5.902) 12.592 1.344 ( 14.345 15.404 4.149) 21.453 1.564 ( 15.955 12.345 -7.686) 21.588 1.698 ( 20.204 4.070 11.237) 23.474 1.969 ( 6.566 -2.476 3.372) 7.785 2.086 ( 6.717 2.226 -8.742) 11.247 2.174 ( 2.319 -1.335 -6.593) 7.116 2.272 ( 5.342 6.891 8.955) 12.499 2.403 ( 0.777 -2.706 -0.077) 2.816 2.500 ( -2.867 -2.855 -3.117) 5.107 2.518 ( 1.998 0.946 -1.764) 2.829 2.814 ( 1.436 -0.737 1.622) 2.289 2.883 ( 2.785 2.327 -2.379) 4.340 3.009 ( 5.046 3.727 2.761) 6.853 3.074 ( 3.932 2.281 -1.893) 4.924 3.137 ( 3.360 1.456 2.948) 4.701 3.205 ( 4.848 2.641 -3.204) 6.383 3.301 ( 9.058 -3.240 0.468) 9.631 3.345 ( 8.770 -2.160 -3.623) 9.732 3.480 ( 0.448 0.660 7.772) 7.812 3.673 ( -1.914 -1.593 -7.594) 7.991 3.874 ( 0.670 -3.031 4.555) 5.512 3.935 ( -1.692 -2.875 -1.770) 3.776 4.094 ( -2.350 -5.708 2.855) 6.802 4.149 ( -2.188 -3.194 -0.970) 3.991 4.243 ( -12.027 -4.269 3.035) 13.118 4.301 ( -11.159 -5.723 -1.856) 12.677 4.404 ( -5.497 -4.113 4.590) 8.259 4.528 ( -5.271 -3.790 -3.984) 7.617 4.631 ( -7.087 -4.166 -0.440) 8.232 4.652 ( -6.696 -2.615 -1.321) 7.309 5.069 ( 0.611 3.858 4.936) 6.294 5.174 ( 0.221 3.364 -3.357) 4.758 5.348 ( -8.186 2.712 -1.159) 8.701 5.379 ( -5.992 1.647 -3.500) 7.132 5.460 ( -7.737 5.354 2.225) 9.669 5.509 ( -7.328 5.744 -1.615) 9.450 5.889 ( -12.511 -0.342 5.370) 13.619 5.990 ( -12.138 -0.549 -3.017) 12.520 6.485 ( 5.645 2.378 2.168) 6.498 6.562 ( 4.360 2.904 -4.501) 6.906 6.641 ( 2.223 2.467 4.662) 5.723 6.736 ( 4.211 1.441 -2.866) 5.294 7.026 ( 1.841 3.970 11.420) 12.230 7.279 ( -0.778 4.746 1.575) 5.061 7.310 ( -0.456 4.619 -9.380) 10.465 7.324 ( -3.469 5.274 -3.480) 7.208 7.719 ( 2.907 0.073 5.242) 5.994 7.791 ( 3.146 -1.899 -1.850) 4.114 8.025 ( 4.688 -0.290 6.244) 7.813 8.174 ( 0.726 2.491 0.374) 2.622 8.369 ( -3.858 -2.013 2.505) 5.022 8.509 ( -2.946 -2.434 -1.971) 4.300 8.613 ( -1.264 -1.177 2.284) 2.864 8.774 ( -3.787 4.147 -11.730) 13.005 9.818 ( 1.608 -0.242 0.213) 1.640 9.841 ( 1.297 -0.776 -2.230) 2.694 9.930 ( 3.098 0.499 2.631) 4.095 9.981 ( 2.147 0.710 -0.813) 2.403 10.064 ( 0.710 0.363 8.702) 8.738 10.268 ( 0.124 -0.948 -7.586) 7.646 10.379 ( -5.236 0.004 6.783) 8.569 10.493 ( -0.569 -3.484 -1.381) 3.791 10.792 ( -7.637 5.340 0.114) 9.319 10.830 ( -11.905 6.675 -2.949) 13.964 10.881 ( -4.474 1.304 2.071) 5.099 10.926 ( -5.004 0.939 -1.647) 5.351 11.569 ( 4.164 -2.874 4.230) 6.595 11.661 ( 2.294 -3.271 -3.620) 5.391 11.877 ( -1.499 -3.523 5.862) 7.001 11.991 ( -2.913 -3.303 -3.802) 5.819 18.381 ( 12.101 2.211 5.534) 13.488 18.455 ( 6.559 -0.603 0.267) 6.592 18.621 ( 0.408 5.970 -0.565) 6.010 18.646 ( 3.102 2.360 -1.694) 4.249 18.800 ( 5.490 1.416 -0.033) 5.670 18.837 ( -0.513 0.721 -2.364) 2.524 18.966 ( 5.780 4.899 4.749) 8.942 19.131 ( 8.451 2.293 -8.451) 12.169 19.327 ( 7.971 1.410 1.912) 8.317 19.380 ( 7.907 2.468 -2.231) 8.578 19.512 ( -3.721 2.564 4.184) 6.158 19.641 ( -5.537 1.784 -6.000) 8.357 19.826 ( 4.047 3.357 3.237) 6.175 19.881 ( 3.327 -0.287 -1.320) 3.591 20.262 ( 3.049 -3.942 2.189) 5.443 20.324 ( 8.463 -5.500 -3.317) 10.625 20.721 ( 6.073 -12.283 8.252) 15.995 20.868 ( 0.017 -13.625 -4.073) 14.220 21.012 ( -2.540 -9.812 2.170) 10.365 21.036 ( -1.386 -13.083 0.717) 13.176 21.401 ( -0.520 2.843 -1.348) 3.189 21.461 ( 2.158 3.712 -6.560) 7.841 21.812 ( 0.483 -1.324 7.481) 7.612 21.967 ( -2.200 -3.778 -2.967) 5.284 22.207 ( 1.679 -2.459 1.807) 3.483 22.342 ( 1.007 -3.533 -6.999) 7.904 22.545 ( 2.765 -3.132 1.472) 4.429 22.563 ( 1.895 -3.223 0.211) 3.745 22.818 ( 0.431 7.039 6.175) 9.374 22.929 ( -1.431 6.971 -1.456) 7.264 23.086 ( -1.354 -1.042 0.886) 1.925 23.207 ( -2.652 2.887 -10.665) 11.362 34.167 ( 6.243 2.974 0.170) 6.917 34.176 ( 6.687 2.724 -0.622) 7.247 35.267 ( -8.589 -7.056 2.086) 11.309 35.293 ( -7.726 -6.443 -0.422) 10.069 35.512 ( 0.084 1.468 0.355) 1.513 35.521 ( 0.109 1.442 -0.282) 1.473 35.844 ( -6.368 -1.196 7.171) 9.665 35.985 ( -10.005 -3.038 -4.447) 11.362 77.975 ( -0.044 1.854 0.467) 1.912 77.984 ( 0.125 1.589 -0.302) 1.622 78.179 ( -0.197 2.331 1.161) 2.611 78.206 ( -1.202 1.215 -0.878) 1.921 79.129 ( 7.222 -0.905 3.526) 8.087 79.216 ( 4.585 -0.564 -3.517) 5.806 80.901 ( -48.424 -24.078 68.601) 87.354 82.254 ( -79.328 -36.774 -43.510) 97.664 ======================= Grid point 93 (34/50) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 17.036 -7.283 2.124) 18.648 1.385 ( 13.900 -9.143 -7.345) 18.187 1.617 ( 10.500 3.810 9.740) 14.820 1.848 ( 11.319 4.606 -9.472) 15.461 2.050 ( 8.926 0.362 3.841) 9.724 2.164 ( 17.835 2.580 7.599) 19.557 2.187 ( 3.049 -4.951 -6.032) 8.378 2.274 ( 6.622 -0.342 -1.535) 6.806 2.361 ( 4.588 4.070 3.620) 7.122 2.431 ( 1.410 -0.838 1.648) 2.326 2.453 ( -0.612 -2.293 -0.708) 2.477 2.579 ( 2.989 5.586 -4.253) 7.631 2.863 ( 4.022 0.678 3.197) 5.183 2.931 ( 2.601 4.397 -0.526) 5.136 3.090 ( -2.648 2.140 3.106) 4.609 3.127 ( -1.193 0.214 -2.519) 2.795 3.170 ( 3.756 1.694 -1.141) 4.276 3.215 ( 0.013 3.054 -3.545) 4.679 3.478 ( 7.279 -1.965 2.167) 7.845 3.532 ( 7.530 -0.498 -2.459) 7.937 3.601 ( 8.883 1.108 2.510) 9.297 3.672 ( 0.658 2.050 -4.269) 4.781 3.882 ( 0.725 -1.193 2.010) 2.447 3.902 ( -1.286 -1.230 1.120) 2.102 3.976 ( -8.129 -2.579 1.285) 8.625 3.996 ( -6.790 -4.691 -0.084) 8.253 4.122 ( -4.039 0.274 1.891) 4.468 4.131 ( -5.575 -0.184 0.876) 5.647 4.310 ( -3.114 -2.722 2.555) 4.862 4.404 ( -6.487 -2.971 -2.998) 7.740 4.475 ( -7.646 -3.443 -0.018) 8.386 4.502 ( -7.592 -1.717 -1.146) 7.868 5.080 ( -0.685 3.177 3.445) 4.736 5.156 ( -9.067 5.173 -0.076) 10.439 5.201 ( 2.756 2.788 -1.667) 4.259 5.264 ( -3.576 2.537 -4.345) 6.172 5.304 ( -8.181 3.936 1.570) 9.213 5.345 ( -9.036 4.605 -1.503) 10.253 5.640 ( -11.656 -0.178 4.337) 12.438 5.735 ( -12.678 -0.275 -3.324) 13.109 6.587 ( 4.307 2.540 1.702) 5.282 6.647 ( 4.120 2.706 -3.600) 6.104 6.676 ( 1.305 3.270 4.377) 5.618 6.793 ( 1.331 1.517 -4.962) 5.357 7.086 ( 3.880 3.703 9.951) 11.304 7.258 ( -1.746 4.144 1.870) 4.870 7.280 ( 0.072 4.818 -0.779) 4.881 7.321 ( 0.456 4.545 -8.701) 9.827 7.794 ( 4.658 -0.115 3.868) 6.056 7.865 ( 4.206 -2.254 -2.457) 5.368 8.093 ( 0.325 -1.631 4.189) 4.507 8.187 ( 0.849 1.040 1.289) 1.861 8.262 ( -5.362 0.055 4.356) 6.909 8.472 ( -0.408 -2.934 -3.612) 4.671 8.564 ( -3.159 -0.630 0.908) 3.347 8.699 ( -3.760 -1.130 -7.922) 8.842 9.868 ( 2.842 -0.264 -0.018) 2.855 9.877 ( 3.004 0.045 -0.935) 3.147 10.009 ( 4.141 0.050 1.699) 4.476 10.031 ( 2.184 -0.222 1.013) 2.418 10.098 ( 1.975 0.419 6.577) 6.880 10.261 ( -3.436 0.366 4.620) 5.769 10.288 ( -1.030 0.321 -7.142) 7.223 10.420 ( -6.817 -1.683 -5.952) 9.205 10.656 ( -2.891 7.042 2.339) 7.964 10.707 ( -2.636 4.045 -1.924) 5.197 10.801 ( -4.018 2.044 1.026) 4.623 10.824 ( -5.043 2.151 -0.816) 5.543 11.654 ( 4.242 -3.272 2.153) 5.774 11.701 ( 1.896 -3.646 -1.871) 4.515 11.836 ( -2.471 -3.886 4.093) 6.161 11.921 ( -3.921 -3.347 -3.015) 5.973 18.530 ( 2.998 3.222 1.461) 4.637 18.548 ( 2.508 3.232 0.672) 4.145 18.607 ( -1.303 4.256 2.224) 4.976 18.651 ( -0.241 2.543 -0.897) 2.707 18.872 ( 5.593 2.048 -0.300) 5.964 18.905 ( 5.519 3.483 -1.851) 6.783 19.154 ( 6.450 2.043 3.786) 7.753 19.206 ( -1.196 2.978 -0.713) 3.288 19.439 ( 1.360 0.286 0.497) 1.476 19.512 ( 6.023 0.601 -5.229) 7.999 19.572 ( 1.811 1.071 -0.680) 2.211 19.585 ( 7.888 1.074 -1.312) 8.068 19.888 ( 1.663 3.187 0.981) 3.726 19.895 ( 1.856 3.360 0.652) 3.894 20.385 ( 6.180 -5.338 3.049) 8.717 20.471 ( -0.625 -2.948 -4.000) 5.008 20.683 ( -2.793 -4.998 1.506) 5.920 20.733 ( -4.009 -4.012 -2.799) 6.325 21.020 ( -0.063 -10.655 6.503) 12.483 21.116 ( 5.692 -16.211 0.841) 17.202 21.405 ( 0.728 1.236 1.134) 1.829 21.547 ( 5.282 1.224 -8.668) 10.224 21.754 ( -5.517 0.111 7.049) 8.952 21.905 ( -4.645 -2.951 -4.732) 7.258 22.283 ( 6.563 -5.961 4.387) 9.892 22.393 ( 3.921 -5.248 -4.611) 8.011 22.585 ( 0.566 -4.070 1.162) 4.270 22.595 ( 1.292 -3.543 0.373) 3.790 22.852 ( 2.397 3.377 3.887) 5.680 22.911 ( -0.572 5.052 -0.118) 5.085 23.033 ( -3.558 -0.550 0.795) 3.687 23.130 ( -4.738 0.363 -7.640) 8.997 34.323 ( 9.294 1.918 0.428) 9.500 34.336 ( 9.259 1.785 -0.643) 9.451 35.050 ( -12.344 -3.808 1.724) 13.033 35.079 ( -12.882 -3.906 -0.771) 13.484 35.535 ( 1.930 0.146 0.418) 1.980 35.546 ( 2.148 0.001 -0.436) 2.192 35.737 ( -4.571 -0.296 3.194) 5.584 35.810 ( -7.278 -1.257 -2.700) 7.864 77.986 ( 1.306 1.454 0.628) 2.053 77.998 ( 1.328 0.930 -0.330) 1.655 78.158 ( -2.017 1.769 0.427) 2.717 78.167 ( -2.640 0.796 -0.217) 2.766 79.309 ( 10.990 -1.771 0.654) 11.151 79.326 ( 6.384 -1.190 -0.647) 6.526 80.154 ( -27.821 -10.013 33.503) 44.685 80.908 ( -53.948 -17.595 -27.617) 63.108 ======================= Grid point 94 (35/50) ======================= q-point: ( 0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 11.346 -13.207 3.408) 17.742 1.670 ( 10.980 -11.969 -4.465) 16.845 1.696 ( 0.242 -9.284 5.190) 10.639 1.895 ( -6.535 -6.231 -9.441) 13.064 2.260 ( 10.962 4.013 2.489) 11.936 2.300 ( 3.794 -1.615 1.126) 4.275 2.327 ( 2.285 -2.968 0.560) 3.788 2.394 ( 2.135 -2.079 -3.418) 4.535 2.462 ( 3.411 2.062 4.674) 6.143 2.467 ( 4.550 4.573 1.275) 6.575 2.523 ( 2.959 4.694 3.173) 6.392 2.618 ( 0.088 5.330 -3.219) 6.227 2.932 ( 0.586 0.502 3.029) 3.126 2.979 ( 2.327 4.289 -1.154) 5.015 2.997 ( -3.737 2.121 -3.551) 5.575 3.034 ( -2.285 3.155 -3.375) 5.154 3.228 ( 4.231 0.914 3.907) 5.831 3.332 ( 8.415 2.546 -5.471) 10.355 3.424 ( -12.564 -1.115 3.599) 13.116 3.505 ( -7.157 0.801 -3.427) 7.976 3.758 ( 8.525 0.535 2.785) 8.984 3.781 ( 8.002 0.209 0.639) 8.030 3.887 ( -2.431 0.190 2.333) 3.374 3.902 ( -1.840 -0.297 0.870) 2.057 3.933 ( 2.619 0.681 1.431) 3.061 3.969 ( 2.090 1.108 -0.471) 2.412 4.012 ( -4.444 1.238 0.421) 4.632 4.033 ( -4.326 1.879 -0.518) 4.745 4.290 ( 1.222 -1.541 -0.029) 1.966 4.311 ( -1.272 -2.068 -0.900) 2.589 4.350 ( -4.688 -2.526 0.487) 5.348 4.370 ( -5.364 -1.006 -0.456) 5.476 5.032 ( -0.685 4.679 1.463) 4.950 5.062 ( -0.008 3.516 -0.941) 3.639 5.118 ( -8.063 4.074 1.539) 9.164 5.153 ( -8.067 3.338 -1.241) 8.818 5.293 ( 5.507 2.270 0.134) 5.958 5.320 ( 6.940 1.571 -2.203) 7.449 5.436 ( -8.651 0.739 2.413) 9.012 5.500 ( -10.522 0.546 -2.737) 10.885 6.655 ( 2.469 3.049 2.068) 4.435 6.685 ( -0.482 3.377 3.254) 4.714 6.728 ( 3.711 2.400 -4.429) 6.257 6.787 ( -1.864 1.982 -5.439) 6.082 7.165 ( 3.590 3.352 7.665) 9.104 7.221 ( -2.107 3.557 4.676) 6.242 7.297 ( 1.238 4.402 -2.439) 5.182 7.319 ( -0.696 4.355 -4.911) 6.600 7.908 ( 6.808 0.062 1.924) 7.075 7.956 ( 4.707 -2.332 -1.971) 5.610 8.043 ( -4.275 -1.974 0.560) 4.742 8.068 ( -8.289 -0.180 -1.410) 8.410 8.316 ( 6.031 0.221 9.246) 11.042 8.432 ( -4.853 -1.983 7.354) 9.032 8.548 ( 2.494 -1.829 -8.309) 8.867 8.620 ( -4.040 -2.810 -7.492) 8.964 9.930 ( 3.819 -0.236 1.964) 4.301 9.968 ( 5.279 -0.131 -0.760) 5.335 10.014 ( -3.616 -0.922 3.926) 5.416 10.052 ( -1.242 -1.045 0.775) 1.799 10.147 ( 2.832 1.690 3.087) 4.517 10.203 ( -2.442 1.737 2.132) 3.677 10.273 ( -0.351 0.404 -6.967) 6.988 10.305 ( -3.057 0.012 -5.741) 6.504 10.658 ( 2.036 4.601 1.841) 5.358 10.686 ( 0.322 2.930 -0.549) 2.998 10.726 ( -3.328 3.073 0.056) 4.530 10.732 ( -3.552 3.145 -0.311) 4.754 11.730 ( 2.801 -4.258 1.124) 5.219 11.750 ( 3.349 -3.455 -0.430) 4.831 11.784 ( -2.269 -4.014 2.082) 5.060 11.837 ( -4.330 -3.280 -2.054) 5.807 18.565 ( 0.558 3.854 1.477) 4.165 18.575 ( 0.583 4.026 1.347) 4.285 18.587 ( 0.630 4.552 0.817) 4.668 18.627 ( -2.035 4.953 -1.544) 5.573 18.993 ( 5.055 1.425 2.081) 5.649 19.037 ( 5.973 1.966 -0.378) 6.300 19.113 ( -2.958 2.862 -0.354) 4.131 19.192 ( -4.385 3.298 -4.861) 7.330 19.482 ( 4.646 0.563 5.722) 7.393 19.577 ( -3.326 0.623 5.704) 6.632 19.631 ( 5.100 0.040 -6.194) 8.024 19.687 ( 0.469 -0.126 -3.670) 3.702 20.000 ( 10.811 2.360 0.701) 11.088 20.021 ( 10.796 2.641 -1.018) 11.161 20.264 ( -14.023 0.169 0.527) 14.034 20.282 ( -13.260 -0.318 -1.039) 13.305 20.763 ( 10.478 -7.777 5.262) 14.069 20.910 ( 10.116 -6.890 -5.503) 13.420 20.957 ( -4.227 -9.090 4.259) 10.893 21.122 ( -6.094 -11.322 -7.367) 14.819 21.473 ( 6.344 0.297 8.192) 10.366 21.616 ( -6.469 0.669 7.738) 10.108 21.663 ( 4.975 1.528 -6.407) 8.255 21.787 ( -6.555 0.294 -5.728) 8.710 22.444 ( 8.199 -8.281 2.146) 11.849 22.486 ( 4.779 -6.209 -1.306) 7.943 22.564 ( -2.682 -5.640 0.666) 6.281 22.584 ( -3.129 -6.332 -0.734) 7.101 22.891 ( 1.003 2.371 3.432) 4.290 22.906 ( -0.174 1.683 2.610) 3.110 22.979 ( -0.239 1.662 -1.828) 2.482 23.033 ( -4.454 0.278 -5.396) 7.002 34.539 ( 12.175 0.454 0.248) 12.186 34.546 ( 11.551 0.440 -0.274) 11.563 34.793 ( -12.860 -1.371 0.587) 12.947 34.804 ( -13.908 -1.492 -0.334) 13.992 35.585 ( 3.003 -0.304 0.740) 3.108 35.603 ( 3.495 -0.589 -0.660) 3.606 35.654 ( -3.753 -0.312 1.404) 4.019 35.688 ( -5.026 -0.797 -1.356) 5.267 78.029 ( 2.809 1.056 0.743) 3.092 78.038 ( 2.457 0.416 0.087) 2.494 78.102 ( -3.203 1.371 -0.170) 3.488 78.106 ( -3.181 0.685 -0.398) 3.278 79.481 ( 9.434 -2.370 4.489) 10.713 79.589 ( 17.675 -3.687 -4.273) 18.554 79.727 ( -15.833 -4.761 14.254) 21.829 80.066 ( -31.302 -8.062 -13.141) 34.893 ======================= Grid point 99 (36/50) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 6.934 29.862) 30.657 1.093 ( 0.000 18.621 9.218) 20.777 1.281 ( 0.000 20.926 2.934) 21.131 1.330 ( 0.000 12.865 -10.169) 16.399 1.592 ( 0.000 17.432 -7.073) 18.812 1.781 ( 0.000 2.668 -16.503) 16.717 2.034 ( 0.000 -0.353 6.360) 6.370 2.175 ( 0.000 1.729 -4.608) 4.922 2.213 ( 0.000 3.959 3.828) 5.507 2.347 ( 0.000 1.757 -4.725) 5.041 2.575 ( 0.000 2.795 5.747) 6.391 2.580 ( 0.000 -0.817 3.432) 3.528 2.705 ( 0.000 -3.349 -6.454) 7.271 2.747 ( 0.000 1.453 -8.265) 8.391 2.917 ( 0.000 -6.655 3.718) 7.623 3.002 ( 0.000 -7.966 -3.352) 8.642 3.072 ( 0.000 6.403 2.959) 7.053 3.108 ( 0.000 9.420 -0.918) 9.464 3.122 ( 0.000 10.454 2.097) 10.662 3.273 ( 0.000 7.961 -8.098) 11.356 3.471 ( 0.000 -7.795 6.293) 10.019 3.590 ( 0.000 -7.926 -3.902) 8.835 3.733 ( 0.000 -4.725 9.923) 10.990 3.897 ( 0.000 -10.820 3.358) 11.329 3.918 ( 0.000 -4.384 -6.282) 7.660 3.950 ( 0.000 -9.982 -1.079) 10.040 4.361 ( 0.000 -9.620 1.646) 9.760 4.382 ( 0.000 -9.132 2.068) 9.363 4.388 ( 0.000 -10.394 -0.905) 10.433 4.475 ( 0.000 -10.600 -5.232) 11.821 4.623 ( 0.000 -8.505 2.333) 8.819 4.668 ( 0.000 -7.638 -1.420) 7.769 5.178 ( 0.000 4.651 4.221) 6.281 5.280 ( 0.000 4.404 -4.126) 6.034 5.516 ( 0.000 -0.530 -0.076) 0.536 5.548 ( 0.000 1.902 -3.232) 3.750 5.770 ( 0.000 6.117 3.672) 7.134 5.818 ( 0.000 8.030 -0.770) 8.067 6.202 ( 0.000 -2.336 5.000) 5.519 6.258 ( 0.000 -1.469 -0.752) 1.650 6.450 ( 0.000 6.263 3.500) 7.175 6.551 ( 0.000 2.091 2.538) 3.289 6.556 ( 0.000 4.510 -5.668) 7.244 6.618 ( 0.000 2.626 -2.891) 3.905 7.099 ( 0.000 5.361 13.043) 14.102 7.400 ( 0.000 5.065 -10.310) 11.487 7.502 ( 0.000 7.960 0.749) 7.995 7.593 ( 0.000 7.644 -3.979) 8.618 7.661 ( 0.000 -3.336 1.243) 3.560 7.684 ( 0.000 -0.864 0.088) 0.869 7.947 ( 0.000 4.389 9.982) 10.905 8.228 ( 0.000 7.594 -12.595) 14.708 8.471 ( 0.000 -6.420 3.125) 7.140 8.523 ( 0.000 1.550 24.468) 24.517 8.526 ( 0.000 -5.137 -0.901) 5.216 9.030 ( 0.000 2.499 -19.586) 19.745 9.804 ( 0.000 0.542 4.090) 4.126 9.823 ( 0.000 0.698 0.668) 0.966 9.858 ( 0.000 0.301 -2.806) 2.822 9.884 ( 0.000 -0.182 -0.725) 0.747 10.151 ( 0.000 -0.476 8.759) 8.772 10.321 ( 0.000 -0.579 -5.696) 5.726 10.337 ( 0.000 -5.173 3.448) 6.217 10.445 ( 0.000 -4.186 -4.763) 6.341 10.933 ( 0.000 0.483 1.676) 1.744 10.986 ( 0.000 -1.354 -2.061) 2.466 11.278 ( 0.000 3.094 11.223) 11.642 11.296 ( 0.000 -5.117 2.082) 5.524 11.384 ( 0.000 -5.473 -5.918) 8.061 11.479 ( 0.000 1.847 -5.694) 5.986 11.805 ( 0.000 -5.270 8.296) 9.828 11.959 ( 0.000 -5.263 -4.910) 7.198 18.070 ( 0.000 8.178 2.092) 8.442 18.138 ( 0.000 7.600 -1.883) 7.830 18.427 ( 0.000 12.125 5.872) 13.472 18.622 ( 0.000 8.775 -9.020) 12.584 18.799 ( 0.000 -2.137 2.985) 3.671 18.912 ( 0.000 -3.534 -6.205) 7.141 19.027 ( 0.000 -4.079 11.625) 12.319 19.221 ( 0.000 0.188 2.167) 2.176 19.308 ( 0.000 -3.239 4.892) 5.867 19.310 ( 0.000 3.711 -5.764) 6.856 19.334 ( 0.000 8.329 -3.542) 9.051 19.408 ( 0.000 -0.945 -3.095) 3.236 19.850 ( 0.000 4.123 1.551) 4.405 19.872 ( 0.000 6.980 -0.018) 6.980 19.971 ( 0.000 -6.513 5.674) 8.638 19.998 ( 0.000 -1.758 3.825) 4.210 20.395 ( 0.000 1.550 0.711) 1.705 20.527 ( 0.000 -9.660 -9.441) 13.507 20.837 ( 0.000 -10.914 0.179) 10.915 20.854 ( 0.000 -10.262 -0.679) 10.284 21.665 ( 0.000 1.490 10.198) 10.306 21.681 ( 0.000 4.620 0.871) 4.701 21.711 ( 0.000 5.155 -1.655) 5.414 21.935 ( 0.000 -3.732 -12.652) 13.191 22.142 ( 0.000 -1.678 6.124) 6.349 22.287 ( 0.000 -4.362 -5.764) 7.228 22.341 ( 0.000 -7.043 3.010) 7.659 22.384 ( 0.000 -6.846 -1.099) 6.933 23.021 ( 0.000 2.089 1.154) 2.386 23.044 ( 0.000 -0.818 -0.767) 1.121 23.079 ( 0.000 5.630 10.057) 11.526 23.386 ( 0.000 0.767 -15.864) 15.882 34.150 ( 0.000 7.903 0.483) 7.918 34.162 ( 0.000 7.632 -0.483) 7.647 35.167 ( 0.000 -12.699 1.704) 12.813 35.191 ( 0.000 -12.205 -0.564) 12.218 35.606 ( 0.000 3.368 0.286) 3.381 35.613 ( 0.000 2.862 -0.276) 2.876 35.936 ( 0.000 -5.229 8.609) 10.073 36.093 ( 0.000 -8.482 -4.652) 9.674 78.057 ( 0.000 4.129 0.614) 4.175 78.070 ( 0.000 4.560 -0.491) 4.586 78.245 ( 0.000 4.169 0.829) 4.251 78.266 ( 0.000 2.396 -0.883) 2.553 78.988 ( 0.000 2.073 6.249) 6.584 79.142 ( 0.000 3.631 -6.153) 7.144 81.141 ( 0.000 -63.886 82.741) 104.535 82.742 ( 0.000 -95.791 -50.965) 108.505 ======================= Grid point 100 (37/50) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.733 11.990 16.819) 20.668 1.174 ( -0.659 11.381 0.774) 11.426 1.410 ( 15.404 11.237 6.427) 20.121 1.486 ( 10.548 17.211 -0.529) 20.193 1.663 ( 6.258 12.569 -4.603) 14.776 1.839 ( 6.424 4.431 -11.764) 14.117 2.075 ( 3.935 1.683 1.389) 4.500 2.180 ( 0.555 2.281 -5.549) 6.025 2.274 ( 4.843 1.952 4.716) 7.036 2.360 ( 0.115 1.230 0.117) 1.241 2.486 ( -5.395 -0.986 2.600) 6.070 2.565 ( -0.538 3.679 -2.541) 4.504 2.728 ( 2.521 -2.799 -0.024) 3.767 2.830 ( 4.538 -0.143 -6.904) 8.263 2.946 ( 3.858 -6.382 1.980) 7.716 3.004 ( 1.367 -4.260 -1.458) 4.705 3.119 ( 4.011 4.813 4.191) 7.538 3.156 ( 3.711 10.011 -0.333) 10.682 3.173 ( 5.121 6.178 0.033) 8.025 3.289 ( 1.516 5.525 -7.492) 9.431 3.461 ( -0.217 -4.165 6.300) 7.556 3.598 ( 0.811 -6.219 -4.756) 7.871 3.748 ( 1.832 -4.717 7.489) 9.039 3.850 ( -1.268 -6.780 -1.390) 7.036 3.940 ( 1.698 -8.361 2.990) 9.040 4.025 ( 3.577 -7.050 -2.715) 8.359 4.296 ( -5.755 -7.732 0.583) 9.657 4.308 ( -6.724 -9.381 -0.631) 11.559 4.359 ( -2.776 -8.594 2.210) 9.298 4.452 ( -2.263 -10.103 -5.261) 11.613 4.598 ( -2.575 -8.004 2.556) 8.788 4.646 ( -2.305 -7.066 -1.426) 7.568 5.171 ( -0.597 4.886 4.325) 6.553 5.272 ( -0.667 4.503 -3.989) 6.053 5.489 ( -2.629 0.169 -0.562) 2.694 5.513 ( -3.456 1.816 -3.055) 4.957 5.722 ( -4.682 6.262 3.696) 8.648 5.776 ( -4.171 7.814 -1.123) 8.928 6.101 ( -9.079 -1.331 5.020) 10.459 6.176 ( -7.525 -1.292 -1.638) 7.809 6.475 ( 3.012 5.752 2.824) 7.080 6.567 ( 2.369 4.122 -4.671) 6.665 6.620 ( 4.423 2.182 2.402) 5.486 6.678 ( 4.560 1.921 -2.101) 5.375 7.108 ( 0.891 5.793 12.277) 13.605 7.404 ( 0.447 5.601 -10.131) 11.584 7.477 ( -2.077 8.318 -0.018) 8.573 7.552 ( -3.555 8.306 -3.443) 9.668 7.679 ( 1.569 -3.046 0.776) 3.513 7.695 ( 1.153 -0.905 0.021) 1.466 7.976 ( 2.707 3.651 9.738) 10.746 8.242 ( 1.018 6.596 -10.884) 12.768 8.422 ( -4.502 -3.312 9.954) 11.416 8.464 ( -2.568 -5.817 3.937) 7.479 8.569 ( 0.833 -2.208 9.162) 9.461 8.971 ( -5.640 1.555 -17.938) 18.868 9.799 ( 0.207 0.440 0.894) 1.017 9.817 ( -0.129 0.579 -0.164) 0.615 9.883 ( 2.417 0.373 0.978) 2.634 9.931 ( 3.420 0.379 0.098) 3.442 10.117 ( -2.610 0.534 7.849) 8.289 10.259 ( -2.679 -2.133 -3.671) 5.020 10.393 ( 2.151 -3.861 -0.303) 4.430 10.424 ( -2.046 -3.090 -2.542) 4.494 10.930 ( -0.462 1.191 1.142) 1.713 10.966 ( -1.900 0.191 -1.186) 2.248 11.123 ( -8.315 3.930 4.652) 10.306 11.235 ( -10.297 2.775 -5.160) 11.847 11.410 ( 4.178 -3.511 5.219) 7.551 11.528 ( 2.653 -2.995 -4.506) 6.026 11.799 ( -0.748 -5.655 7.561) 9.471 11.941 ( -1.755 -5.593 -4.603) 7.453 18.198 ( 11.191 5.990 3.263) 13.106 18.273 ( 10.806 4.033 -1.082) 11.585 18.559 ( 11.616 9.935 2.515) 15.491 18.678 ( 3.509 5.871 -3.523) 7.694 18.807 ( 1.767 -0.562 -0.714) 1.987 18.858 ( -4.248 -3.433 -3.329) 6.397 19.018 ( 1.486 3.477 4.444) 5.835 19.143 ( -3.420 1.457 -3.739) 5.272 19.268 ( 2.773 4.604 3.978) 6.687 19.355 ( 3.507 6.297 -2.451) 7.613 19.531 ( 11.222 -3.333 2.966) 12.077 19.619 ( 12.816 -6.693 -3.577) 14.894 19.799 ( -2.930 4.802 0.083) 5.626 19.807 ( -3.271 2.781 -0.217) 4.299 20.040 ( 5.493 -6.996 4.819) 10.116 20.058 ( 4.339 -1.159 3.190) 5.509 20.376 ( -0.851 0.355 3.144) 3.276 20.530 ( 0.742 -11.157 -8.584) 14.097 20.840 ( -0.540 -10.091 0.331) 10.111 20.856 ( -0.194 -11.112 -0.738) 11.139 21.574 ( -4.768 5.488 2.959) 7.849 21.640 ( -5.101 5.733 -2.744) 8.150 21.746 ( 2.408 0.315 6.656) 7.085 21.934 ( -1.335 -4.404 -7.335) 8.659 22.139 ( 0.285 -1.871 3.703) 4.158 22.272 ( -0.962 -4.200 -5.952) 7.347 22.373 ( 2.669 -6.732 2.491) 7.659 22.410 ( 2.012 -6.747 -0.747) 7.080 22.996 ( -2.336 3.928 3.507) 5.761 23.030 ( -0.487 1.046 -0.156) 1.164 23.092 ( 0.242 2.073 6.041) 6.391 23.347 ( -3.641 0.869 -13.873) 14.369 34.181 ( 3.001 7.264 0.178) 7.861 34.187 ( 2.482 7.172 -0.275) 7.594 35.147 ( -2.053 -12.344 1.785) 12.640 35.175 ( -1.824 -12.036 -0.655) 12.191 35.590 ( -1.459 3.355 0.257) 3.667 35.596 ( -1.538 2.941 -0.204) 3.326 35.896 ( -3.564 -3.759 7.199) 8.869 36.036 ( -5.278 -6.980 -4.410) 9.799 78.048 ( -0.781 3.983 0.544) 4.095 78.058 ( -0.990 4.320 -0.351) 4.446 78.247 ( 0.047 3.772 0.555) 3.813 78.261 ( -0.606 2.094 -0.552) 2.249 79.022 ( 3.311 1.638 5.722) 6.811 79.163 ( 2.049 3.106 -5.654) 6.768 80.861 ( -24.267 -49.167 70.063) 88.967 82.277 ( -41.639 -78.406 -46.825) 100.369 ======================= Grid point 101 (38/50) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 6.482 6.194 4.965) 10.249 1.148 ( -0.730 2.760 -7.023) 7.581 1.608 ( 3.494 4.056 8.482) 10.030 1.711 ( 6.586 2.217 -1.042) 7.027 1.865 ( 16.934 11.007 5.647) 20.971 2.027 ( 9.895 6.293 -5.788) 13.077 2.154 ( 2.327 5.730 -2.789) 6.785 2.205 ( 4.500 5.568 -4.746) 8.589 2.327 ( 1.022 -2.394 2.043) 3.309 2.393 ( 1.871 2.019 -0.245) 2.763 2.420 ( -0.224 -0.370 4.566) 4.587 2.595 ( 3.645 4.704 -2.575) 6.484 2.792 ( 3.467 -2.498 1.623) 4.571 2.915 ( 4.905 -0.647 -3.377) 5.990 3.039 ( 4.936 -2.821 -1.298) 5.831 3.082 ( 5.209 -0.121 -1.869) 5.535 3.201 ( -0.124 3.438 1.718) 3.845 3.244 ( 6.392 -0.179 1.384) 6.543 3.280 ( 6.006 5.484 -0.291) 8.138 3.368 ( 7.269 3.869 -3.587) 8.981 3.503 ( 4.732 1.238 4.643) 6.744 3.637 ( 3.431 -1.830 -5.086) 6.402 3.803 ( 3.107 -3.128 4.662) 6.416 3.853 ( 0.946 -4.232 -0.063) 4.337 3.951 ( -1.340 -6.788 2.496) 7.355 4.035 ( -4.303 -6.744 -2.428) 8.360 4.151 ( -5.325 -4.272 2.910) 7.421 4.193 ( -4.365 -3.833 -0.034) 5.809 4.288 ( -3.531 -6.531 0.973) 7.488 4.385 ( -4.334 -9.069 -5.642) 11.527 4.519 ( -5.121 -6.150 2.900) 8.513 4.571 ( -5.088 -5.415 -1.440) 7.569 5.163 ( -0.029 4.839 4.201) 6.408 5.259 ( -0.368 4.437 -3.360) 5.578 5.411 ( -6.222 2.726 -1.929) 7.062 5.415 ( -4.868 1.353 -2.019) 5.441 5.590 ( -8.182 6.363 3.491) 10.937 5.653 ( -7.971 7.185 -1.834) 10.887 5.879 ( -12.325 -0.635 4.892) 13.276 5.977 ( -11.819 -0.779 -3.082) 12.239 6.561 ( 5.013 4.594 2.272) 7.170 6.635 ( 4.001 3.775 -3.945) 6.770 6.701 ( 3.514 2.893 3.277) 5.609 6.767 ( 3.943 1.256 -1.769) 4.500 7.138 ( 2.160 6.463 10.661) 12.653 7.419 ( 0.959 6.197 -9.640) 11.500 7.434 ( -2.009 8.727 -0.161) 8.957 7.474 ( -3.568 8.843 -2.931) 9.976 7.720 ( 2.609 -1.575 0.390) 3.072 7.735 ( 2.856 -2.037 -0.475) 3.540 8.041 ( 3.258 2.061 8.474) 9.309 8.250 ( -0.651 5.008 -4.053) 6.475 8.328 ( -4.407 -3.422 6.083) 8.254 8.409 ( -2.569 -6.659 0.867) 7.189 8.557 ( -1.836 -3.564 5.728) 6.991 8.825 ( -8.237 -0.319 -13.835) 16.105 9.820 ( 1.878 0.562 -0.030) 1.961 9.833 ( 1.683 0.524 -1.141) 2.100 9.940 ( 3.135 0.319 3.326) 4.582 10.001 ( 3.096 1.079 -0.007) 3.279 10.079 ( -0.503 0.874 7.519) 7.586 10.232 ( -0.103 -2.495 -4.918) 5.516 10.362 ( -3.743 -1.925 0.784) 4.281 10.412 ( -0.668 -3.751 -3.113) 4.920 10.894 ( -3.338 3.851 1.289) 5.257 10.925 ( -2.001 3.658 -0.882) 4.262 10.981 ( -5.858 5.584 0.613) 8.117 11.022 ( -9.467 8.848 -2.866) 13.271 11.487 ( 3.564 -4.570 3.802) 6.931 11.569 ( 1.441 -5.081 -3.173) 6.161 11.771 ( -2.065 -6.338 6.071) 9.017 11.890 ( -3.223 -6.146 -3.986) 8.003 18.450 ( 12.604 4.254 3.048) 13.647 18.483 ( 8.965 3.034 0.751) 9.494 18.683 ( -0.923 0.776 3.463) 3.667 18.755 ( 0.366 5.059 -2.607) 5.702 18.832 ( 5.886 2.509 -0.283) 6.404 18.900 ( 6.388 5.966 -4.556) 9.857 19.088 ( 5.094 5.904 2.481) 8.183 19.178 ( 6.516 2.061 -4.134) 7.987 19.373 ( 7.234 2.640 3.488) 8.454 19.459 ( 5.951 4.632 -3.288) 8.227 19.574 ( -4.299 2.652 3.730) 6.279 19.680 ( -4.253 1.133 -4.688) 6.430 19.866 ( 7.702 -1.180 1.060) 7.864 19.892 ( 7.086 1.354 -1.127) 7.302 20.128 ( 3.477 -6.837 3.671) 8.503 20.191 ( 8.505 -7.177 -1.638) 11.249 20.431 ( 7.481 -9.377 6.428) 13.609 20.564 ( 2.077 -13.404 -4.682) 14.349 20.800 ( -3.214 -9.639 0.444) 10.171 20.812 ( -4.374 -9.772 -0.441) 10.715 21.498 ( -2.626 5.780 0.914) 6.414 21.561 ( -1.935 5.026 -4.441) 6.981 21.776 ( 0.528 -1.635 6.047) 6.286 21.885 ( -2.831 -4.138 -1.334) 5.188 22.149 ( 0.455 -2.508 2.051) 3.272 22.262 ( 0.078 -4.043 -5.928) 7.176 22.429 ( 2.396 -7.161 1.413) 7.682 22.448 ( 1.560 -6.956 -0.108) 7.130 22.952 ( -1.752 4.566 4.844) 6.884 23.015 ( -1.139 1.628 -1.072) 2.257 23.074 ( -2.014 0.381 3.717) 4.244 23.252 ( -5.519 0.436 -10.188) 11.595 34.261 ( 4.910 5.908 0.127) 7.683 34.266 ( 5.362 5.825 -0.276) 7.922 35.076 ( -5.216 -10.465 1.787) 11.829 35.107 ( -5.181 -10.622 -0.852) 11.849 35.558 ( -1.340 2.838 0.218) 3.147 35.564 ( -1.305 2.569 -0.189) 2.888 35.811 ( -4.509 -1.917 4.343) 6.548 35.906 ( -7.049 -4.207 -3.336) 8.861 78.032 ( -0.599 3.515 0.445) 3.593 78.038 ( -0.789 3.575 -0.105) 3.662 78.237 ( -1.768 1.576 0.130) 2.372 78.239 ( -1.088 2.718 -0.047) 2.928 79.118 ( 6.148 0.407 4.145) 7.426 79.220 ( 3.587 1.726 -4.144) 5.746 80.330 ( -25.747 -27.632 44.787) 58.586 81.313 ( -49.133 -47.942 -35.163) 77.130 ======================= Grid point 102 (39/50) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 7.078 -3.597 -0.321) 7.946 1.200 ( 7.969 -7.030 -4.520) 11.548 1.570 ( -5.135 -7.443 10.521) 13.873 1.791 ( -0.178 -8.351 -7.646) 11.324 2.150 ( 6.553 2.849 0.909) 7.203 2.205 ( 13.418 7.891 -1.722) 15.661 2.261 ( 4.290 4.789 2.017) 6.738 2.329 ( 4.466 7.745 -2.749) 9.354 2.366 ( 4.886 -1.433 0.271) 5.099 2.415 ( 3.769 1.309 -1.198) 4.166 2.465 ( 4.414 1.633 7.648) 8.981 2.685 ( 3.655 3.822 -5.688) 7.767 2.872 ( 5.157 -0.353 5.999) 7.919 3.016 ( 4.262 2.276 -1.118) 4.959 3.129 ( -0.512 0.422 -2.304) 2.398 3.142 ( 0.905 2.051 -0.183) 2.249 3.221 ( 4.066 3.032 -3.086) 5.937 3.257 ( 0.062 0.477 -3.649) 3.680 3.464 ( 7.023 0.952 4.526) 8.409 3.543 ( 8.318 2.095 -1.356) 8.684 3.600 ( 2.486 -2.203 2.816) 4.355 3.690 ( 0.172 -1.051 -4.300) 4.430 3.858 ( 2.522 -0.939 3.525) 4.435 3.876 ( 2.520 -1.052 0.563) 2.788 3.921 ( 1.161 -0.850 0.556) 1.543 3.944 ( -0.808 0.592 0.365) 1.066 4.087 ( -3.650 -3.561 3.129) 5.983 4.125 ( -2.707 -0.328 1.632) 3.178 4.245 ( -1.262 -4.317 -1.815) 4.850 4.294 ( -3.489 -5.658 -4.225) 7.876 4.408 ( -5.535 -3.166 2.795) 6.962 4.452 ( -6.183 -3.257 -1.019) 7.062 5.163 ( -0.708 4.452 3.091) 5.466 5.259 ( -4.715 3.747 -4.446) 7.486 5.274 ( -0.935 4.148 1.524) 4.517 5.331 ( -2.557 3.165 -2.766) 4.920 5.408 ( -9.628 5.401 2.487) 11.317 5.464 ( -10.620 6.164 -2.098) 12.457 5.634 ( -11.196 -0.447 4.218) 11.973 5.728 ( -12.166 -0.399 -3.382) 12.633 6.659 ( 4.514 4.076 1.750) 6.328 6.716 ( 3.934 3.528 -3.014) 6.084 6.757 ( 1.892 3.828 3.022) 5.231 6.826 ( 1.783 1.271 -2.218) 3.117 7.195 ( 3.475 6.522 9.098) 11.722 7.389 ( -2.618 7.939 1.693) 8.530 7.426 ( -0.573 8.790 -1.293) 8.904 7.441 ( 0.500 6.533 -9.862) 11.840 7.790 ( 4.325 -1.952 0.031) 4.746 7.808 ( 4.480 -1.360 -1.070) 4.802 8.070 ( -1.558 -0.586 5.466) 5.714 8.211 ( -4.624 1.250 -5.528) 7.314 8.256 ( -0.598 -1.321 9.599) 9.708 8.382 ( -0.122 -5.295 0.009) 5.297 8.506 ( -2.785 -4.566 2.321) 5.831 8.665 ( -7.246 -2.483 -9.529) 12.226 9.868 ( 2.747 0.503 0.307) 2.810 9.885 ( 3.613 0.943 -0.752) 3.809 10.005 ( 2.976 -0.437 3.132) 4.343 10.032 ( -0.013 0.505 2.798) 2.843 10.111 ( 2.926 0.287 4.795) 5.624 10.238 ( 0.004 -2.333 -2.929) 3.745 10.290 ( -2.726 -0.798 -1.607) 3.264 10.362 ( -4.113 -3.282 -5.108) 7.334 10.825 ( -2.857 6.935 1.054) 7.574 10.858 ( -4.605 10.430 -1.044) 11.448 10.880 ( -2.804 5.504 0.082) 6.178 10.903 ( -3.661 6.201 -1.034) 7.275 11.556 ( 3.228 -5.836 1.904) 6.936 11.594 ( 1.415 -6.269 -1.475) 6.594 11.719 ( -2.935 -6.983 4.548) 8.836 11.816 ( -4.034 -6.552 -3.472) 8.442 18.620 ( 4.605 4.777 2.274) 7.014 18.637 ( 4.222 4.875 1.932) 6.732 18.702 ( 3.634 3.575 -0.546) 5.126 18.727 ( -0.792 4.617 -1.152) 4.824 18.934 ( 4.794 4.552 1.764) 6.842 19.021 ( 4.898 7.014 -4.390) 9.615 19.220 ( 4.911 4.129 4.215) 7.677 19.291 ( 2.815 4.838 -0.884) 5.667 19.456 ( -1.018 1.470 1.521) 2.347 19.532 ( 5.572 1.463 -3.808) 6.906 19.606 ( -0.558 1.848 -1.742) 2.600 19.620 ( 5.652 2.613 -1.765) 6.472 19.962 ( 2.647 3.352 1.513) 4.531 19.987 ( 3.502 4.266 -0.594) 5.551 20.233 ( 7.053 -8.532 5.577) 12.395 20.366 ( 5.645 -7.736 -5.560) 11.074 20.546 ( -0.707 -8.117 0.995) 8.208 20.568 ( -1.147 -11.782 -1.154) 11.894 20.737 ( 0.608 -12.406 3.106) 12.804 20.773 ( 1.330 -14.030 0.274) 14.095 21.468 ( -0.239 4.281 2.150) 4.797 21.577 ( 3.367 1.872 -7.001) 7.991 21.748 ( -3.748 -0.825 5.071) 6.359 21.837 ( -2.136 -3.561 -1.092) 4.293 22.174 ( 2.799 -3.987 3.610) 6.063 22.282 ( 2.053 -4.992 -4.830) 7.243 22.450 ( -0.674 -8.347 0.789) 8.411 22.463 ( -0.393 -7.694 0.028) 7.704 22.929 ( -0.495 3.209 4.647) 5.669 22.987 ( -1.509 1.899 -0.588) 2.496 23.022 ( -2.689 -0.096 1.616) 3.139 23.136 ( -5.746 -0.156 -7.084) 9.122 34.385 ( 7.381 3.923 0.371) 8.367 34.395 ( 7.437 3.823 -0.462) 8.375 34.938 ( -8.398 -6.588 1.263) 10.748 34.962 ( -9.057 -6.918 -0.776) 11.423 35.549 ( 0.551 1.310 0.265) 1.446 35.556 ( 0.685 1.090 -0.295) 1.321 35.722 ( -4.294 -1.190 2.125) 4.937 35.772 ( -6.110 -2.352 -1.871) 6.809 78.031 ( 0.639 2.752 0.419) 2.856 78.034 ( 0.472 2.538 0.173) 2.588 78.187 ( -3.066 0.927 0.471) 3.238 78.201 ( -2.757 1.893 -0.631) 3.404 79.269 ( 9.010 -1.639 1.444) 9.271 79.305 ( 4.862 -0.232 -1.480) 5.088 79.886 ( -18.145 -14.356 23.569) 33.028 80.436 ( -36.780 -25.133 -20.949) 49.226 ======================= Grid point 103 (40/50) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 7.293 -11.611 6.436) 15.147 1.377 ( 1.275 -12.664 6.862) 14.460 1.500 ( 4.497 -9.926 -5.351) 12.140 1.689 ( -8.864 -11.965 -11.998) 19.122 2.245 ( 1.377 -2.342 3.942) 4.787 2.283 ( -1.795 -0.936 5.141) 5.525 2.361 ( 4.036 1.996 -5.028) 6.749 2.388 ( 2.764 2.432 -4.001) 5.437 2.513 ( 7.186 2.801 1.263) 7.816 2.533 ( 9.560 1.785 -1.376) 9.823 2.609 ( 3.289 3.706 4.932) 6.992 2.699 ( -3.711 1.823 -2.140) 4.655 2.971 ( 4.743 3.326 3.526) 6.782 3.049 ( -1.028 2.387 -3.215) 4.134 3.087 ( -0.810 5.119 -0.602) 5.218 3.109 ( -2.889 3.438 -1.735) 4.815 3.260 ( 3.351 2.234 4.082) 5.735 3.385 ( 6.716 2.004 -6.432) 9.513 3.402 ( -8.012 -0.525 5.333) 9.638 3.519 ( -5.305 -0.006 -4.905) 7.225 3.751 ( 8.693 -1.011 3.473) 9.415 3.784 ( 7.829 0.174 0.143) 7.833 3.880 ( -2.386 -0.444 2.858) 3.750 3.910 ( -3.911 -0.372 3.161) 5.043 3.951 ( 3.327 1.139 1.952) 4.022 3.997 ( 0.854 1.523 0.748) 1.899 4.044 ( 0.743 1.865 -2.026) 2.852 4.059 ( -1.981 0.796 -2.952) 3.643 4.236 ( 1.423 -2.910 0.899) 3.362 4.283 ( 2.074 -0.828 -2.123) 3.081 4.304 ( -4.618 -1.371 2.778) 5.560 4.352 ( -3.907 -0.811 -0.877) 4.085 5.141 ( 0.343 5.214 0.817) 5.289 5.159 ( -1.372 5.358 -0.474) 5.551 5.222 ( -7.387 5.275 0.907) 9.122 5.245 ( -8.732 5.102 -1.092) 10.172 5.346 ( 3.645 2.315 -0.375) 4.334 5.357 ( 5.374 1.609 -1.428) 5.789 5.452 ( -7.040 0.520 2.067) 7.356 5.511 ( -9.335 0.235 -2.686) 9.716 6.735 ( 2.879 4.143 1.788) 5.353 6.770 ( -0.487 4.105 2.394) 4.777 6.790 ( 3.068 3.154 -2.829) 5.230 6.834 ( -1.044 2.080 -2.717) 3.577 7.269 ( 3.595 6.425 7.300) 10.368 7.334 ( -2.887 7.007 4.838) 8.991 7.429 ( 0.720 7.841 -3.733) 8.714 7.443 ( -0.425 7.102 -6.276) 9.488 7.887 ( 5.149 -3.369 0.532) 6.176 7.921 ( 6.776 0.502 -2.331) 7.183 7.992 ( -5.119 -2.703 2.605) 6.348 8.072 ( -7.863 0.434 -4.277) 8.961 8.304 ( 3.645 -1.523 8.301) 9.193 8.369 ( -2.165 -3.842 5.938) 7.397 8.479 ( 1.067 -4.698 -4.357) 6.496 8.543 ( -4.813 -4.324 -6.874) 9.441 9.930 ( 3.439 0.460 2.317) 4.172 9.968 ( 3.670 0.287 0.505) 3.716 10.005 ( -2.015 0.186 3.002) 3.620 10.036 ( -0.636 -0.513 1.457) 1.670 10.166 ( 2.419 -0.163 2.491) 3.476 10.214 ( -2.189 -0.751 0.004) 2.314 10.267 ( -0.179 -1.295 -5.174) 5.337 10.283 ( -2.335 -2.062 -4.634) 5.584 10.794 ( -0.186 7.201 1.025) 7.276 10.807 ( -1.056 8.562 0.782) 8.662 10.832 ( -1.397 7.606 -1.105) 7.812 10.845 ( -2.120 7.476 -1.203) 7.863 11.607 ( 2.055 -7.222 1.968) 7.763 11.639 ( 1.570 -6.925 0.857) 7.152 11.667 ( -0.661 -6.968 0.888) 7.055 11.732 ( -4.231 -6.655 -2.857) 8.388 18.668 ( 1.534 5.589 2.897) 6.479 18.690 ( -0.164 6.323 1.833) 6.586 18.719 ( 2.128 7.112 -1.114) 7.507 18.753 ( -0.277 6.294 -3.208) 7.070 19.040 ( 5.139 3.344 4.107) 7.380 19.111 ( 1.595 5.136 2.533) 5.945 19.197 ( -0.160 4.971 -3.122) 5.873 19.293 ( -4.966 5.956 -6.801) 10.314 19.500 ( 5.822 1.333 6.042) 8.496 19.600 ( -2.486 1.628 4.535) 5.422 19.637 ( 4.494 0.876 -5.041) 6.810 19.690 ( 0.229 0.646 -2.995) 3.072 20.063 ( 8.295 3.068 0.990) 8.899 20.088 ( 7.428 3.042 -1.160) 8.111 20.260 ( -7.329 -2.417 0.358) 7.725 20.269 ( -9.990 0.076 -0.381) 9.997 20.565 ( 6.541 -9.963 4.088) 12.600 20.680 ( 6.321 -15.526 -2.699) 16.979 20.711 ( -2.035 -11.811 1.343) 12.060 20.809 ( -1.484 -16.679 -3.459) 17.098 21.510 ( 4.813 2.641 6.041) 8.163 21.636 ( -6.500 0.867 6.334) 9.117 21.674 ( 5.296 -0.250 -7.100) 8.861 21.775 ( -4.214 -1.575 -4.587) 6.425 22.269 ( 6.179 -7.382 3.447) 10.225 22.342 ( 3.288 -6.866 -2.004) 7.872 22.396 ( -4.316 -9.139 0.657) 10.129 22.425 ( -3.235 -7.989 -0.980) 8.675 22.931 ( 0.615 1.772 3.460) 3.936 22.954 ( -1.650 1.920 1.484) 2.934 22.995 ( 0.389 0.065 -1.496) 1.547 23.037 ( -3.742 -0.052 -4.322) 5.717 34.556 ( 9.567 1.138 0.243) 9.638 34.562 ( 9.089 1.115 -0.244) 9.160 34.753 ( -9.671 -2.391 0.403) 9.971 34.761 ( -10.539 -2.540 -0.261) 10.844 35.580 ( 2.404 -0.089 0.477) 2.453 35.591 ( 2.718 -0.394 -0.411) 2.777 35.642 ( -3.593 -0.814 0.911) 3.795 35.665 ( -4.495 -1.385 -0.914) 4.792 78.057 ( 1.858 1.562 0.819) 2.562 78.061 ( 2.038 1.875 0.717) 2.861 78.124 ( -2.789 0.979 -0.250) 2.966 78.136 ( -3.317 1.524 -1.034) 3.794 79.420 ( 6.898 -2.891 2.882) 8.015 79.491 ( 13.596 -5.142 -2.761) 14.796 79.597 ( -11.050 -7.044 10.302) 16.669 79.846 ( -22.656 -11.923 -9.799) 27.413 ======================= Grid point 108 (41/50) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 11.777 22.933) 25.781 1.458 ( 0.000 14.454 4.485) 15.134 1.580 ( 0.000 7.686 -8.188) 11.230 1.581 ( 0.000 9.499 -5.417) 10.935 1.872 ( 0.000 -11.240 11.820) 16.311 1.876 ( 0.000 9.083 -0.477) 9.096 1.956 ( 0.000 9.461 -6.299) 11.366 2.172 ( 0.000 -2.827 -12.194) 12.517 2.245 ( 0.000 1.180 0.490) 1.278 2.398 ( 0.000 1.413 -9.519) 9.623 2.532 ( 0.000 -7.008 1.492) 7.165 2.643 ( 0.000 -5.729 -6.519) 8.679 2.694 ( 0.000 9.527 6.740) 11.670 2.823 ( 0.000 6.567 -3.544) 7.462 2.852 ( 0.000 3.006 4.468) 5.385 2.913 ( 0.000 2.263 -0.477) 2.313 3.189 ( 0.000 2.716 7.158) 7.656 3.288 ( 0.000 6.495 4.593) 7.955 3.291 ( 0.000 -9.256 7.098) 11.664 3.367 ( 0.000 3.436 -5.880) 6.811 3.416 ( 0.000 12.759 -8.797) 15.498 3.423 ( 0.000 -7.788 -4.420) 8.955 3.685 ( 0.000 -8.958 3.609) 9.658 3.688 ( 0.000 1.850 7.703) 7.922 3.746 ( 0.000 -8.525 -0.771) 8.560 3.859 ( 0.000 0.086 -6.824) 6.825 4.159 ( 0.000 -11.731 -0.573) 11.745 4.206 ( 0.000 -14.165 -4.657) 14.911 4.211 ( 0.000 -2.849 2.306) 3.665 4.240 ( 0.000 -2.760 -0.127) 2.763 4.430 ( 0.000 -9.357 3.005) 9.828 4.480 ( 0.000 -9.677 -1.208) 9.752 5.285 ( 0.000 5.477 3.317) 6.403 5.369 ( 0.000 4.179 -3.598) 5.514 5.482 ( 0.000 -2.731 1.139) 2.959 5.535 ( 0.000 -2.709 -3.649) 4.544 5.918 ( 0.000 7.215 4.535) 8.522 5.987 ( 0.000 7.521 -1.704) 7.712 6.146 ( 0.000 -3.324 4.494) 5.589 6.211 ( 0.000 -3.074 -1.395) 3.375 6.583 ( 0.000 5.652 1.622) 5.880 6.596 ( 0.000 2.082 2.751) 3.450 6.625 ( 0.000 1.779 -1.804) 2.534 6.666 ( 0.000 1.549 -2.920) 3.305 7.236 ( 0.000 7.484 8.912) 11.637 7.492 ( 0.000 3.552 -12.912) 13.392 7.556 ( 0.000 -6.327 2.222) 6.705 7.638 ( 0.000 -3.297 -5.040) 6.023 7.713 ( 0.000 11.669 3.235) 12.109 7.797 ( 0.000 11.379 -3.227) 11.827 8.059 ( 0.000 3.830 12.796) 13.357 8.273 ( 0.000 -7.142 -5.400) 8.953 8.321 ( 0.000 -5.813 6.132) 8.449 8.487 ( 0.000 -4.682 23.026) 23.497 8.526 ( 0.000 8.602 -10.261) 13.389 8.972 ( 0.000 -7.430 -18.060) 19.529 9.841 ( 0.000 2.407 2.977) 3.828 9.852 ( 0.000 1.912 0.150) 1.918 9.871 ( 0.000 0.865 -1.944) 2.128 9.901 ( 0.000 1.014 -1.113) 1.505 10.144 ( 0.000 -0.056 8.554) 8.554 10.228 ( 0.000 -4.755 5.317) 7.133 10.312 ( 0.000 -0.200 -5.672) 5.676 10.361 ( 0.000 -3.213 -5.319) 6.215 10.976 ( 0.000 3.092 0.098) 3.094 11.004 ( 0.000 3.372 -2.099) 3.971 11.177 ( 0.000 -5.869 1.718) 6.116 11.253 ( 0.000 -6.700 -5.214) 8.489 11.382 ( 0.000 6.146 8.965) 10.870 11.555 ( 0.000 5.089 -5.617) 7.579 11.675 ( 0.000 -6.870 8.211) 10.706 11.829 ( 0.000 -6.789 -4.971) 8.414 18.263 ( 0.000 9.830 2.935) 10.258 18.315 ( 0.000 8.974 -0.084) 8.975 18.677 ( 0.000 -8.350 3.620) 9.101 18.707 ( 0.000 -10.235 1.723) 10.379 18.721 ( 0.000 14.668 0.407) 14.673 18.834 ( 0.000 11.020 -7.354) 13.248 19.026 ( 0.000 -0.618 2.132) 2.220 19.200 ( 0.000 -1.736 -7.647) 7.842 19.262 ( 0.000 -0.859 6.150) 6.210 19.376 ( 0.000 -2.196 1.861) 2.878 19.388 ( 0.000 -0.630 -4.255) 4.302 19.452 ( 0.000 1.263 -2.634) 2.921 19.880 ( 0.000 2.382 6.143) 6.589 19.942 ( 0.000 4.273 3.617) 5.598 19.999 ( 0.000 4.383 -0.577) 4.421 20.045 ( 0.000 1.862 -7.191) 7.428 20.345 ( 0.000 -3.363 5.157) 6.157 20.435 ( 0.000 0.108 -1.980) 1.983 20.597 ( 0.000 -10.992 0.674) 11.012 20.633 ( 0.000 -10.365 -1.407) 10.460 21.724 ( 0.000 4.050 4.825) 6.299 21.768 ( 0.000 3.378 0.983) 3.519 21.801 ( 0.000 2.920 -1.713) 3.385 21.858 ( 0.000 -2.884 -6.006) 6.663 22.110 ( 0.000 -0.874 3.498) 3.605 22.188 ( 0.000 -4.416 -2.863) 5.263 22.210 ( 0.000 -5.102 1.430) 5.299 22.239 ( 0.000 -6.447 -1.048) 6.532 23.045 ( 0.000 1.089 1.690) 2.011 23.090 ( 0.000 4.524 -1.945) 4.924 23.125 ( 0.000 -0.595 7.411) 7.435 23.328 ( 0.000 -5.085 -9.177) 10.491 34.352 ( 0.000 11.107 0.186) 11.109 34.356 ( 0.000 10.646 -0.163) 10.647 34.885 ( 0.000 -13.621 1.143) 13.669 34.907 ( 0.000 -14.194 -0.668) 14.210 35.683 ( 0.000 3.700 0.357) 3.717 35.692 ( 0.000 4.692 -0.322) 4.703 35.847 ( 0.000 -3.829 3.955) 5.505 35.933 ( 0.000 -6.793 -3.095) 7.464 78.154 ( 0.000 4.850 1.015) 4.955 78.176 ( 0.000 5.256 -0.845) 5.324 78.294 ( 0.000 -0.293 0.583) 0.652 78.308 ( 0.000 0.977 -0.564) 1.128 79.111 ( 0.000 10.660 9.343) 14.175 79.340 ( 0.000 17.051 -9.136) 19.344 80.107 ( 0.000 -37.993 40.627) 55.624 81.025 ( 0.000 -66.399 -33.832) 74.521 ======================= Grid point 109 (42/50) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.533 12.888 14.946) 19.742 1.408 ( -6.215 10.378 -3.045) 12.474 1.603 ( 3.725 4.032 -0.507) 5.512 1.685 ( 1.231 0.932 -3.309) 3.651 1.835 ( 5.569 4.689 7.857) 10.711 2.034 ( 8.364 2.889 2.415) 9.173 2.042 ( 9.025 4.206 -4.907) 11.101 2.190 ( 2.874 1.461 -6.590) 7.336 2.289 ( 3.658 1.095 -0.150) 3.821 2.420 ( 2.181 1.959 -7.227) 7.799 2.575 ( 3.757 -4.950 -1.314) 6.352 2.581 ( -4.231 3.567 1.192) 5.661 2.680 ( -0.740 0.125 0.720) 1.040 2.790 ( -0.857 3.229 -5.139) 6.130 2.905 ( 4.971 3.662 4.185) 7.459 2.984 ( 4.514 1.439 -1.979) 5.134 3.187 ( 0.331 0.163 6.574) 6.584 3.273 ( -1.230 -4.615 2.626) 5.450 3.325 ( 3.428 4.975 3.894) 7.188 3.371 ( 1.877 4.317 -0.094) 4.708 3.465 ( 4.462 5.550 -6.857) 9.886 3.490 ( 4.306 -1.497 -5.695) 7.295 3.685 ( 1.451 -3.287 6.042) 7.030 3.709 ( 2.422 -3.539 1.773) 4.641 3.795 ( 3.545 -5.106 1.631) 6.426 3.899 ( 2.685 -2.737 -4.710) 6.073 4.143 ( -1.577 -9.893 -2.099) 10.235 4.149 ( -3.842 -7.321 -1.253) 8.363 4.204 ( -1.497 -2.726 0.936) 3.248 4.228 ( -1.181 -6.610 -1.308) 6.841 4.414 ( -1.581 -9.075 3.328) 9.795 4.469 ( -1.186 -9.257 -1.270) 9.419 5.279 ( -0.562 5.373 3.431) 6.399 5.364 ( -0.520 4.144 -3.420) 5.398 5.469 ( -1.370 -2.184 0.387) 2.607 5.511 ( -2.366 -1.828 -3.324) 4.471 5.862 ( -5.383 6.478 4.699) 9.645 5.935 ( -5.123 6.774 -1.558) 8.635 6.062 ( -7.794 -2.416 4.204) 9.179 6.138 ( -6.816 -2.489 -2.037) 7.537 6.599 ( 2.150 5.344 1.431) 5.935 6.639 ( 2.861 2.557 -0.875) 3.936 6.662 ( 3.892 1.601 1.053) 4.338 6.707 ( 3.358 0.502 -1.745) 3.818 7.251 ( 1.406 7.607 8.708) 11.648 7.502 ( 0.876 3.649 -12.291) 12.851 7.573 ( 1.682 -6.108 1.742) 6.570 7.652 ( 1.170 -2.036 -4.643) 5.203 7.700 ( -1.035 11.180 2.137) 11.430 7.768 ( -2.420 11.556 -2.728) 12.118 8.074 ( 1.347 3.171 11.858) 12.348 8.258 ( -1.695 -8.266 -3.630) 9.186 8.294 ( -2.348 -5.958 6.006) 8.779 8.432 ( -3.857 1.573 11.064) 11.823 8.534 ( -0.582 2.368 -0.765) 2.556 8.908 ( -5.915 -6.886 -16.412) 18.756 9.832 ( 0.044 2.533 0.872) 2.679 9.852 ( 0.069 2.512 -0.705) 2.610 9.893 ( 2.051 0.299 1.360) 2.479 9.941 ( 3.044 -0.064 -0.755) 3.137 10.128 ( -1.373 0.615 7.856) 7.998 10.200 ( -1.912 -3.120 2.804) 4.610 10.326 ( 0.512 -2.016 -4.008) 4.515 10.356 ( -0.503 -2.956 -5.181) 5.986 10.982 ( 0.466 3.408 0.313) 3.454 11.011 ( 0.576 4.191 -2.125) 4.734 11.155 ( -2.047 -2.057 2.167) 3.622 11.233 ( -1.945 -3.378 -4.875) 6.242 11.390 ( 0.607 2.830 7.088) 7.656 11.529 ( -2.264 3.552 -4.267) 5.996 11.662 ( -1.371 -7.077 7.330) 10.281 11.805 ( -2.384 -7.130 -4.671) 8.851 18.350 ( 8.085 8.089 2.920) 11.803 18.396 ( 7.352 7.078 0.114) 10.206 18.669 ( -0.354 -5.513 4.263) 6.978 18.717 ( 1.285 -7.204 0.216) 7.321 18.809 ( 8.078 12.648 -0.107) 15.008 18.917 ( 6.725 8.716 -8.061) 13.645 19.063 ( 3.893 0.304 1.376) 4.141 19.173 ( -0.112 0.895 -5.023) 5.103 19.317 ( 3.480 0.345 7.344) 8.134 19.435 ( 5.410 -1.724 -0.543) 5.704 19.461 ( 6.006 -3.873 -2.128) 7.456 19.509 ( 5.880 -2.729 -2.710) 7.026 19.857 ( -1.370 3.905 3.423) 5.370 19.910 ( -3.312 4.984 -0.012) 5.985 19.989 ( 0.569 1.803 2.406) 3.060 20.073 ( 1.218 -1.193 -4.664) 4.966 20.349 ( 0.395 -2.039 3.455) 4.032 20.401 ( -2.492 0.150 -0.876) 2.646 20.613 ( 0.775 -10.571 0.433) 10.608 20.631 ( -0.382 -10.175 -0.597) 10.200 21.689 ( -2.955 5.307 2.324) 6.504 21.741 ( -3.827 3.550 -1.115) 5.337 21.770 ( -0.941 1.586 1.356) 2.289 21.847 ( -1.606 -3.273 -3.251) 4.885 22.111 ( 0.304 -0.364 2.388) 2.435 22.182 ( -0.230 -3.763 -3.121) 4.895 22.237 ( 2.065 -5.805 1.276) 6.292 22.262 ( 1.721 -6.793 -0.768) 7.049 23.036 ( -0.903 1.182 2.152) 2.616 23.078 ( -1.307 3.164 0.400) 3.447 23.119 ( -0.691 0.326 4.294) 4.362 23.300 ( -2.779 -4.401 -8.588) 10.042 34.369 ( 1.734 10.464 0.041) 10.607 34.371 ( 1.435 10.103 -0.038) 10.205 34.876 ( -0.955 -13.078 1.141) 13.163 34.898 ( -0.909 -13.654 -0.711) 13.703 35.666 ( -1.603 3.640 0.316) 3.990 35.674 ( -1.718 4.509 -0.276) 4.833 35.823 ( -2.287 -3.475 3.414) 5.382 35.899 ( -3.276 -6.076 -2.770) 7.438 78.143 ( -1.023 4.805 0.932) 5.000 78.163 ( -1.258 5.298 -0.734) 5.495 78.284 ( -1.058 -0.421 0.746) 1.361 78.301 ( -0.745 0.657 -0.686) 1.207 79.127 ( 1.635 9.327 8.529) 12.745 79.336 ( -0.251 15.048 -8.369) 17.220 80.008 ( -9.044 -33.048 35.669) 49.459 80.824 ( -18.512 -57.783 -30.444) 67.885 ======================= Grid point 110 (43/50) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -1.067 10.185 2.216) 10.478 1.248 ( -8.742 6.757 -4.391) 11.890 1.556 ( -7.565 -6.564 3.262) 10.534 1.643 ( -3.371 -8.118 -3.365) 9.412 2.047 ( 12.176 7.003 7.398) 15.875 2.192 ( 7.227 6.511 -2.136) 9.959 2.248 ( 7.038 1.853 3.706) 8.167 2.316 ( 9.471 2.766 1.502) 9.981 2.348 ( 2.380 2.098 -0.260) 3.184 2.471 ( 2.154 6.390 -4.530) 8.124 2.507 ( -2.000 7.110 4.663) 8.735 2.683 ( 6.058 -4.352 0.219) 7.463 2.708 ( 3.625 4.010 -7.120) 8.939 2.835 ( 6.245 -3.067 -7.878) 10.510 3.019 ( 5.189 0.206 2.976) 5.985 3.082 ( 6.623 -1.125 -1.793) 6.953 3.195 ( -0.509 -2.073 1.940) 2.884 3.280 ( 1.923 1.752 -2.984) 3.959 3.409 ( 4.756 3.752 6.835) 9.133 3.441 ( 4.377 -0.357 4.958) 6.624 3.554 ( 3.725 4.469 -4.734) 7.501 3.581 ( 4.904 -0.420 -5.092) 7.082 3.758 ( 5.183 -1.690 5.178) 7.518 3.781 ( 4.148 -1.905 1.131) 4.702 3.865 ( 3.336 -1.851 -0.551) 3.855 3.929 ( 0.645 -2.136 -2.046) 3.027 4.060 ( -3.481 -4.661 2.693) 6.410 4.136 ( -0.378 -6.651 -4.020) 7.781 4.165 ( -1.762 0.734 1.324) 2.323 4.200 ( -0.937 -5.988 -2.745) 6.654 4.371 ( -2.523 -7.713 3.566) 8.864 4.429 ( -2.772 -7.771 -1.277) 8.349 5.267 ( -0.591 4.842 3.406) 5.949 5.350 ( -0.783 3.848 -2.910) 4.888 5.419 ( -3.764 -1.008 -0.736) 3.966 5.447 ( -3.680 0.428 -2.670) 4.566 5.713 ( -9.082 5.089 4.518) 11.349 5.789 ( -9.114 5.089 -1.015) 10.488 5.861 ( -11.661 -0.800 3.318) 12.151 5.953 ( -11.177 -1.615 -3.298) 11.765 6.663 ( 3.958 4.647 1.512) 6.288 6.709 ( 3.924 3.028 -2.146) 5.401 6.748 ( 4.120 1.281 1.682) 4.631 6.779 ( 3.535 -0.296 -0.572) 3.593 7.291 ( 2.535 7.875 8.138) 11.605 7.525 ( 1.354 4.113 -10.804) 11.640 7.615 ( 1.819 -4.478 0.338) 4.845 7.655 ( -1.581 6.035 -1.453) 6.406 7.681 ( -0.750 9.337 0.814) 9.403 7.744 ( 1.670 5.409 -4.245) 7.075 8.102 ( 0.791 1.313 9.143) 9.270 8.197 ( -3.878 -8.657 1.881) 9.671 8.248 ( -2.014 -6.436 4.469) 8.090 8.361 ( -2.849 2.819 4.303) 5.881 8.492 ( -3.546 -0.403 0.329) 3.584 8.757 ( -8.573 -5.749 -12.794) 16.439 9.850 ( 1.731 2.401 0.490) 3.000 9.871 ( 1.821 2.878 -0.946) 3.534 9.940 ( 2.470 -0.561 3.453) 4.282 10.007 ( 3.264 -1.134 -0.710) 3.527 10.100 ( -1.111 1.305 6.971) 7.179 10.172 ( -0.639 -2.654 0.421) 2.762 10.309 ( -2.110 -2.315 -2.541) 4.034 10.341 ( -1.287 -3.034 -5.841) 6.706 10.988 ( 0.036 5.115 0.751) 5.170 11.018 ( -0.044 5.454 -1.882) 5.770 11.104 ( -2.837 4.294 2.120) 5.566 11.176 ( -3.592 3.892 -4.259) 6.796 11.403 ( 0.765 -2.128 4.279) 4.839 11.483 ( -1.993 -1.289 -2.305) 3.309 11.619 ( -2.902 -7.764 5.887) 10.166 11.739 ( -4.022 -7.983 -4.056) 9.816 18.550 ( 10.871 4.946 2.061) 12.120 18.568 ( 8.724 4.571 0.940) 9.894 18.681 ( 1.733 -0.903 3.934) 4.393 18.751 ( 1.953 -2.891 -1.974) 4.009 18.993 ( 7.970 9.534 -0.846) 12.455 19.045 ( 6.158 7.004 -3.559) 9.982 19.187 ( 7.358 2.707 -1.440) 7.972 19.223 ( 5.385 2.273 -2.776) 6.471 19.423 ( 7.752 1.975 6.053) 10.031 19.541 ( 4.027 1.780 -3.205) 5.446 19.580 ( 3.439 -2.416 1.291) 4.397 19.636 ( 5.177 -5.040 -2.247) 7.567 19.862 ( 2.946 1.813 0.864) 3.565 19.884 ( 2.651 0.409 -0.856) 2.816 20.007 ( 1.429 -4.097 3.984) 5.891 20.091 ( 0.968 -5.113 -3.294) 6.158 20.353 ( 0.005 0.342 1.340) 1.383 20.374 ( 0.356 -1.983 0.057) 2.015 20.605 ( -1.806 -9.244 0.511) 9.432 20.609 ( -2.084 -8.923 0.261) 9.167 21.624 ( -3.243 5.758 0.644) 6.640 21.660 ( -3.450 4.129 -2.207) 5.815 21.751 ( -1.046 -0.820 2.551) 2.876 21.801 ( -2.552 -3.585 -0.732) 4.461 22.119 ( 0.334 0.067 1.710) 1.744 22.183 ( 0.321 -2.892 -3.310) 4.407 22.274 ( 1.282 -6.843 0.983) 7.031 22.293 ( 1.101 -7.260 -0.449) 7.357 23.011 ( -1.545 1.403 2.981) 3.639 23.040 ( -2.328 1.150 2.565) 3.650 23.092 ( -2.076 1.231 0.399) 2.446 23.221 ( -4.889 -2.993 -7.127) 9.146 34.414 ( 2.918 8.498 0.219) 8.988 34.420 ( 3.225 8.670 -0.240) 9.253 34.844 ( -2.215 -11.202 1.070) 11.469 34.867 ( -2.306 -11.740 -0.761) 11.989 35.626 ( -2.170 3.254 0.167) 3.915 35.630 ( -2.394 3.858 -0.145) 4.543 35.762 ( -3.564 -2.781 2.224) 5.038 35.813 ( -4.920 -4.528 -1.934) 6.960 78.118 ( -1.301 4.414 0.716) 4.657 78.131 ( -1.708 4.977 -0.423) 5.279 78.250 ( -2.289 -0.611 1.027) 2.582 78.275 ( -2.006 -0.007 -0.942) 2.216 79.177 ( 3.395 6.030 6.350) 9.392 79.334 ( 0.151 10.293 -6.309) 12.074 79.792 ( -11.287 -22.689 24.658) 35.358 80.372 ( -24.207 -39.372 -22.218) 51.281 ======================= Grid point 111 (44/50) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -4.304 0.709 2.207) 4.889 1.146 ( 1.471 2.416 -3.290) 4.339 1.393 ( -7.329 -8.037 4.329) 11.707 1.561 ( -5.127 -11.976 -9.872) 16.345 2.227 ( 3.512 4.301 3.880) 6.774 2.292 ( 3.111 2.091 3.442) 5.089 2.317 ( 1.961 -0.955 0.964) 2.385 2.388 ( -0.683 -0.567 1.202) 1.494 2.436 ( 3.484 5.179 3.662) 7.237 2.534 ( 7.386 8.791 1.507) 11.580 2.571 ( 5.475 4.523 0.801) 7.147 2.735 ( -0.143 1.568 -10.549) 10.666 2.860 ( 10.425 1.680 3.955) 11.276 3.003 ( 7.490 -1.994 -5.633) 9.581 3.118 ( 3.453 -2.593 0.459) 4.342 3.192 ( 1.213 -1.705 -3.177) 3.804 3.224 ( 5.233 0.958 0.524) 5.345 3.304 ( 2.889 4.666 -3.688) 6.612 3.477 ( -0.954 -2.024 4.469) 4.998 3.504 ( 1.296 -5.408 1.863) 5.865 3.624 ( 5.225 5.168 1.047) 7.424 3.686 ( 5.191 3.047 -3.461) 6.943 3.841 ( 3.007 -1.529 4.812) 5.877 3.877 ( 4.739 0.834 4.370) 6.500 3.930 ( 2.623 0.085 -1.758) 3.159 3.978 ( 4.013 -1.020 -2.551) 4.863 4.015 ( -0.568 -0.550 3.514) 3.602 4.105 ( -1.774 -2.717 -3.639) 4.875 4.155 ( 1.149 0.485 2.127) 2.466 4.215 ( 1.831 -2.351 -3.105) 4.304 4.327 ( -1.605 -4.585 2.444) 5.438 4.364 ( -3.184 -4.926 -0.753) 5.913 5.256 ( -0.561 4.146 2.265) 4.757 5.326 ( -4.351 2.272 -2.419) 5.472 5.340 ( -0.427 1.992 -0.137) 2.042 5.378 ( -2.595 1.155 -2.241) 3.618 5.513 ( -10.338 4.245 3.277) 11.647 5.585 ( -11.300 4.986 -2.547) 12.611 5.619 ( -11.141 -1.041 4.028) 11.893 5.713 ( -11.952 -1.177 -3.480) 12.504 6.745 ( 4.011 3.769 1.510) 5.707 6.786 ( 3.508 2.920 -1.697) 4.870 6.817 ( 2.606 1.514 1.378) 3.314 6.840 ( 2.296 -0.011 -0.100) 2.298 7.351 ( 3.404 7.973 7.143) 11.233 7.548 ( 0.323 5.861 -6.573) 8.813 7.595 ( -2.675 7.240 -2.010) 7.975 7.619 ( -1.015 5.421 -2.496) 6.054 7.725 ( 4.158 1.045 2.888) 5.169 7.817 ( 4.926 1.447 -5.355) 7.419 8.056 ( -5.127 -2.022 6.377) 8.429 8.140 ( -2.596 -7.878 -0.701) 8.324 8.230 ( 0.721 -2.349 7.290) 7.693 8.321 ( -1.241 0.546 -0.443) 1.426 8.406 ( -4.333 -2.999 1.937) 5.614 8.585 ( -8.167 -4.994 -8.993) 13.135 9.896 ( 2.725 2.165 1.043) 3.633 9.923 ( 3.286 2.758 -0.591) 4.330 9.990 ( 2.373 -1.114 3.899) 4.699 10.047 ( -0.097 0.148 1.716) 1.725 10.102 ( 1.756 -0.607 4.234) 4.623 10.174 ( 0.686 -3.155 -1.358) 3.503 10.258 ( -2.595 -1.564 -2.071) 3.670 10.296 ( -3.132 -2.872 -5.938) 7.302 10.980 ( -0.750 7.661 1.426) 7.828 11.013 ( -0.173 7.071 -1.280) 7.188 11.047 ( -2.787 8.028 1.262) 8.591 11.103 ( -3.344 9.452 -3.243) 10.538 11.423 ( 1.044 -6.061 1.973) 6.459 11.456 ( -0.389 -5.865 -0.930) 5.951 11.551 ( -3.625 -8.610 4.527) 10.381 11.651 ( -4.529 -8.872 -3.646) 10.608 18.711 ( 4.646 3.605 2.682) 6.463 18.736 ( 6.059 4.013 1.579) 7.437 18.759 ( 7.182 1.754 -0.014) 7.393 18.793 ( 2.260 1.304 -2.042) 3.313 19.078 ( 2.776 8.551 2.505) 9.333 19.179 ( 4.996 7.495 -5.066) 10.334 19.304 ( 4.665 2.593 2.527) 5.905 19.379 ( 7.038 1.600 -3.209) 7.899 19.506 ( -3.157 4.253 3.791) 6.513 19.598 ( 6.680 5.189 -1.970) 8.685 19.648 ( 2.202 2.548 -0.400) 3.391 19.702 ( 3.301 4.831 -2.961) 6.557 19.970 ( 6.172 -6.460 1.267) 9.024 19.988 ( 5.071 -3.429 -0.093) 6.123 20.065 ( 4.391 -8.175 3.283) 9.843 20.135 ( 4.205 -10.892 -2.229) 11.886 20.384 ( 2.296 -3.527 0.153) 4.211 20.385 ( 0.576 -3.305 -0.009) 3.355 20.542 ( -3.953 -7.502 0.914) 8.529 20.552 ( -3.067 -7.300 0.054) 7.918 21.568 ( -1.876 4.968 1.235) 5.452 21.624 ( 0.148 2.446 -3.440) 4.224 21.719 ( -2.679 -1.849 2.377) 4.031 21.757 ( -1.682 -3.959 -0.199) 4.306 22.127 ( 0.772 -0.213 2.276) 2.413 22.194 ( 0.862 -2.931 -3.133) 4.376 22.277 ( -1.158 -7.124 1.064) 7.295 22.298 ( -0.688 -7.395 -0.433) 7.439 22.978 ( -1.534 1.463 3.592) 4.170 22.998 ( -1.456 -0.056 1.465) 2.066 23.039 ( -2.912 1.298 -0.778) 3.282 23.116 ( -5.191 -1.663 -5.176) 7.517 34.488 ( 4.407 5.813 0.369) 7.304 34.497 ( 4.424 5.836 -0.384) 7.333 34.785 ( -3.749 -7.627 0.781) 8.535 34.802 ( -4.195 -7.972 -0.613) 9.029 35.590 ( -1.318 2.465 0.026) 2.795 35.590 ( -1.102 2.080 -0.042) 2.355 35.687 ( -3.670 -2.057 1.133) 4.356 35.714 ( -4.694 -3.010 -1.030) 5.670 78.098 ( -0.454 3.412 0.477) 3.476 78.103 ( -0.925 3.849 0.039) 3.959 78.195 ( -3.002 -0.401 0.961) 3.177 78.221 ( -3.185 -0.323 -1.072) 3.376 79.264 ( 5.353 1.848 3.251) 6.530 79.346 ( 1.109 4.934 -3.330) 6.054 79.589 ( -8.485 -12.972 13.853) 20.788 79.923 ( -19.501 -22.171 -13.125) 32.312 ======================= Grid point 112 (45/50) ======================= q-point: ( 0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.985 -3.325 8.097) 9.618 1.196 ( -1.384 -3.851 3.753) 5.552 1.297 ( 1.769 -8.879 -3.634) 9.755 1.431 ( -7.680 -11.658 -10.569) 17.509 2.231 ( 0.465 1.087 4.269) 4.430 2.281 ( -3.882 0.878 4.965) 6.363 2.352 ( 2.132 -2.278 -5.301) 6.151 2.390 ( -0.175 -2.674 -3.192) 4.168 2.570 ( 8.164 3.558 0.598) 8.926 2.619 ( 3.775 4.846 -3.380) 7.011 2.669 ( 0.911 1.388 2.081) 2.662 2.713 ( -3.555 0.281 -1.778) 3.984 3.045 ( 7.183 3.201 3.497) 8.607 3.085 ( 2.791 1.088 -1.292) 3.262 3.150 ( -1.066 0.680 0.418) 1.332 3.164 ( -2.356 0.840 0.246) 2.513 3.327 ( 3.536 4.128 1.666) 5.685 3.404 ( -4.232 0.971 3.964) 5.879 3.415 ( 6.375 0.610 -6.081) 8.831 3.499 ( -1.841 -1.799 -4.710) 5.368 3.745 ( 6.016 0.941 4.017) 7.295 3.787 ( 4.851 0.327 0.170) 4.865 3.858 ( -4.780 -2.465 4.720) 7.155 3.864 ( -1.885 -2.672 3.517) 4.803 3.996 ( 2.628 2.754 0.402) 3.828 4.026 ( 0.394 0.687 0.177) 0.811 4.048 ( 3.347 0.350 -2.131) 3.984 4.104 ( -0.668 1.127 -4.324) 4.518 4.205 ( 4.017 0.687 3.363) 5.283 4.266 ( 2.047 -0.277 0.385) 2.101 4.289 ( -1.388 -0.592 0.296) 1.538 4.326 ( -1.287 -1.942 -0.937) 2.511 5.248 ( 0.714 4.744 0.398) 4.814 5.266 ( -0.142 4.469 -0.888) 4.558 5.327 ( -6.702 4.378 0.921) 8.058 5.349 ( -6.327 3.606 -1.075) 7.362 5.375 ( 3.133 -0.043 -0.644) 3.199 5.378 ( -0.798 1.215 -0.636) 1.586 5.450 ( -6.082 -0.785 1.599) 6.338 5.501 ( -8.725 -1.313 -2.423) 9.149 6.814 ( 2.631 3.109 1.455) 4.325 6.840 ( 0.891 2.379 0.649) 2.622 6.848 ( 1.102 2.012 -0.221) 2.305 6.865 ( 0.150 0.788 -0.278) 0.849 7.424 ( 3.823 7.922 5.597) 10.426 7.501 ( -3.703 8.137 3.475) 9.591 7.587 ( 0.711 5.857 -7.795) 9.776 7.601 ( -0.709 6.169 -4.828) 7.866 7.822 ( 5.424 -1.085 4.146) 6.913 7.926 ( 2.190 -1.100 -1.371) 2.808 7.946 ( -1.912 -0.755 1.005) 2.288 8.057 ( -5.527 -3.205 -4.913) 8.059 8.261 ( 1.784 -1.928 7.070) 7.542 8.297 ( -1.738 -1.531 2.728) 3.579 8.362 ( 1.251 -5.832 -1.221) 6.089 8.441 ( -5.905 -5.180 -5.621) 9.659 9.955 ( 2.894 1.807 2.572) 4.273 9.986 ( 1.775 1.456 1.809) 2.922 10.018 ( -0.150 0.498 1.796) 1.869 10.030 ( -0.324 0.012 2.206) 2.229 10.144 ( 2.060 -1.457 1.578) 2.976 10.185 ( -0.894 -1.600 -2.073) 2.767 10.214 ( -0.813 -2.993 -2.423) 3.936 10.236 ( -2.193 -2.343 -4.580) 5.593 10.971 ( 0.206 9.204 1.986) 9.418 10.994 ( -1.943 9.361 1.705) 9.711 11.021 ( 0.726 9.275 -1.990) 9.514 11.049 ( -2.042 10.570 -2.632) 11.083 11.438 ( 1.010 -8.294 2.350) 8.680 11.470 ( -0.844 -8.625 2.448) 9.005 11.498 ( 0.837 -8.775 -0.791) 8.850 11.563 ( -4.134 -9.170 -3.237) 10.566 18.783 ( 2.891 4.945 2.476) 6.241 18.812 ( 0.622 4.615 1.638) 4.936 18.841 ( 2.609 3.630 -2.072) 4.927 18.857 ( 1.655 2.768 -2.075) 3.835 19.152 ( 4.944 7.362 4.710) 10.041 19.243 ( -0.368 6.502 1.271) 6.635 19.307 ( -0.595 4.473 -2.938) 5.385 19.381 ( -4.124 0.414 -4.948) 6.455 19.582 ( 7.003 7.576 4.165) 11.126 19.660 ( 1.450 5.378 0.835) 5.633 19.705 ( 0.943 6.422 -1.997) 6.791 19.736 ( -0.488 4.430 -1.954) 4.867 20.062 ( 4.457 -6.471 2.244) 8.172 20.106 ( 5.593 -2.517 -1.170) 6.244 20.127 ( 0.872 -9.953 2.548) 10.311 20.207 ( -1.028 -10.907 -3.377) 11.464 20.382 ( 1.906 -4.384 2.498) 5.394 20.427 ( 0.644 -4.257 -0.208) 4.311 20.475 ( -1.837 -9.605 -0.244) 9.782 20.505 ( -2.021 -9.233 -1.488) 9.568 21.569 ( 2.218 2.929 3.188) 4.865 21.644 ( -4.358 -0.101 3.430) 5.547 21.660 ( 2.932 -0.926 -4.204) 5.209 21.720 ( -2.447 -3.542 -2.558) 5.008 22.161 ( 2.704 -2.494 2.646) 4.531 22.218 ( 0.254 -4.483 -0.517) 4.520 22.232 ( -1.728 -5.602 0.065) 5.863 22.267 ( -2.192 -6.488 -1.152) 6.944 22.962 ( 0.140 1.133 2.166) 2.449 22.984 ( -1.485 0.947 0.037) 1.761 22.990 ( 0.020 -0.183 -0.340) 0.387 23.028 ( -3.270 -0.768 -2.816) 4.383 34.589 ( 5.517 1.971 0.228) 5.862 34.594 ( 5.114 1.939 -0.208) 5.474 34.696 ( -4.915 -2.830 0.261) 5.678 34.702 ( -5.552 -2.907 -0.197) 6.270 35.584 ( 0.840 0.554 0.201) 1.026 35.589 ( 1.045 0.242 -0.183) 1.088 35.622 ( -2.705 -1.055 0.460) 2.940 35.633 ( -3.218 -1.543 -0.464) 3.599 78.099 ( 0.627 2.282 0.706) 2.470 78.104 ( 0.880 1.998 0.622) 2.270 78.141 ( -1.973 0.474 0.044) 2.029 78.157 ( -2.835 0.291 -0.988) 3.017 79.382 ( 2.556 -0.192 0.576) 2.627 79.397 ( 8.019 -3.170 -0.609) 8.644 79.455 ( -4.908 -5.733 5.895) 9.576 79.602 ( -12.717 -10.419 -5.870) 17.456 ======================= Grid point 117 (46/50) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 -13.504 11.825) 17.949 1.458 ( 0.000 13.504 11.825) 17.949 1.670 ( 0.000 -0.394 -5.146) 5.161 1.670 ( 0.000 0.394 -5.146) 5.161 1.862 ( 0.000 -8.293 6.972) 10.835 1.862 ( 0.000 8.293 6.972) 10.835 2.094 ( 0.000 -4.665 -7.858) 9.139 2.094 ( 0.000 4.665 -7.858) 9.139 2.358 ( 0.000 -7.376 -4.137) 8.457 2.358 ( 0.000 7.376 -4.137) 8.457 2.466 ( 0.000 -7.800 -8.801) 11.760 2.466 ( 0.000 7.800 -8.801) 11.760 2.914 ( 0.000 -5.314 4.942) 7.257 2.914 ( 0.000 5.314 4.942) 7.257 2.945 ( 0.000 -2.947 1.851) 3.480 2.945 ( 0.000 2.947 1.851) 3.480 3.169 ( 0.000 -1.594 7.837) 7.998 3.169 ( 0.000 1.594 7.837) 7.998 3.298 ( 0.000 -1.785 -2.372) 2.969 3.298 ( 0.000 1.785 -2.372) 2.969 3.513 ( 0.000 -8.041 0.781) 8.078 3.513 ( 0.000 8.041 0.781) 8.078 3.608 ( 0.000 -5.224 -3.884) 6.509 3.608 ( 0.000 5.224 -3.884) 6.509 3.870 ( 0.000 -14.476 0.686) 14.492 3.870 ( 0.000 14.476 0.686) 14.492 3.955 ( 0.000 -8.582 -5.028) 9.946 3.955 ( 0.000 8.582 -5.028) 9.946 4.256 ( 0.000 -6.225 2.610) 6.750 4.256 ( 0.000 6.225 2.610) 6.750 4.292 ( 0.000 -7.025 -0.236) 7.029 4.292 ( 0.000 7.025 -0.236) 7.029 5.400 ( 0.000 -4.964 1.808) 5.283 5.400 ( 0.000 4.964 1.808) 5.283 5.457 ( 0.000 -4.154 -3.003) 5.126 5.457 ( 0.000 4.154 -3.003) 5.126 6.054 ( 0.000 -5.477 4.305) 6.967 6.054 ( 0.000 5.477 4.305) 6.967 6.124 ( 0.000 -5.295 -1.760) 5.580 6.124 ( 0.000 5.295 -1.760) 5.580 6.631 ( 0.000 -0.977 1.601) 1.876 6.631 ( 0.000 0.977 1.601) 1.876 6.665 ( 0.000 -1.901 -1.250) 2.275 6.665 ( 0.000 1.901 -1.250) 2.275 7.403 ( 0.000 -7.926 4.725) 9.228 7.403 ( 0.000 7.926 4.725) 9.228 7.563 ( 0.000 -3.462 -9.345) 9.966 7.563 ( 0.000 3.462 -9.345) 9.966 7.963 ( 0.000 -10.921 4.428) 11.784 7.963 ( 0.000 10.921 4.428) 11.784 8.051 ( 0.000 -12.123 -2.969) 12.481 8.051 ( 0.000 12.123 -2.969) 12.481 8.355 ( 0.000 -6.713 18.326) 19.517 8.355 ( 0.000 6.713 18.326) 19.517 8.759 ( 0.000 -11.654 -15.257) 19.199 8.759 ( 0.000 11.654 -15.257) 19.199 9.874 ( 0.000 -0.347 0.489) 0.600 9.874 ( 0.000 0.347 0.489) 0.600 9.899 ( 0.000 -1.364 -1.060) 1.728 9.899 ( 0.000 1.364 -1.060) 1.728 10.157 ( 0.000 -1.708 7.646) 7.834 10.157 ( 0.000 1.708 7.646) 7.834 10.318 ( 0.000 -0.941 -5.705) 5.782 10.318 ( 0.000 0.941 -5.705) 5.782 11.060 ( 0.000 -4.963 0.974) 5.058 11.060 ( 0.000 4.963 0.974) 5.058 11.113 ( 0.000 -6.323 -3.911) 7.435 11.113 ( 0.000 6.323 -3.911) 7.435 11.525 ( 0.000 -7.189 8.284) 10.968 11.525 ( 0.000 7.189 8.284) 10.968 11.683 ( 0.000 -6.779 -5.171) 8.526 11.683 ( 0.000 6.779 -5.171) 8.526 18.474 ( 0.000 -10.080 3.792) 10.770 18.474 ( 0.000 10.080 3.792) 10.770 18.508 ( 0.000 -9.201 0.797) 9.236 18.508 ( 0.000 9.201 0.797) 9.236 18.961 ( 0.000 -6.588 -1.054) 6.671 18.961 ( 0.000 6.588 -1.054) 6.671 19.079 ( 0.000 -10.775 -9.554) 14.401 19.079 ( 0.000 10.775 -9.554) 14.401 19.286 ( 0.000 -3.250 6.861) 7.592 19.286 ( 0.000 3.250 6.861) 7.592 19.404 ( 0.000 -2.810 -3.226) 4.278 19.404 ( 0.000 2.810 -3.226) 4.278 19.978 ( 0.000 -2.990 3.327) 4.474 19.978 ( 0.000 2.990 3.327) 4.474 20.049 ( 0.000 -1.368 -0.726) 1.549 20.049 ( 0.000 1.368 -0.726) 1.549 20.397 ( 0.000 -7.480 2.241) 7.808 20.397 ( 0.000 7.480 2.241) 7.808 20.465 ( 0.000 -4.129 -1.903) 4.546 20.465 ( 0.000 4.129 -1.903) 4.546 21.806 ( 0.000 -2.386 0.244) 2.398 21.806 ( 0.000 2.386 0.244) 2.398 21.818 ( 0.000 -1.250 -0.625) 1.398 21.818 ( 0.000 1.250 -0.625) 1.398 22.131 ( 0.000 -3.232 0.398) 3.257 22.131 ( 0.000 3.232 0.398) 3.257 22.142 ( 0.000 -0.812 -0.466) 0.936 22.142 ( 0.000 0.812 -0.466) 0.936 23.086 ( 0.000 -2.415 4.513) 5.119 23.086 ( 0.000 2.415 4.513) 5.119 23.205 ( 0.000 -6.057 -5.120) 7.931 23.205 ( 0.000 6.057 -5.120) 7.931 34.605 ( 0.000 -12.739 0.371) 12.745 34.605 ( 0.000 12.739 0.371) 12.745 34.612 ( 0.000 -13.404 -0.252) 13.407 34.612 ( 0.000 13.404 -0.252) 13.407 35.765 ( 0.000 -3.936 1.586) 4.244 35.765 ( 0.000 3.936 1.586) 4.244 35.802 ( 0.000 -5.731 -1.414) 5.903 35.802 ( 0.000 5.731 -1.414) 5.903 78.248 ( 0.000 -3.743 1.174) 3.923 78.248 ( 0.000 3.743 1.174) 3.923 78.276 ( 0.000 -3.674 -1.047) 3.821 78.276 ( 0.000 3.674 -1.047) 3.821 79.466 ( 0.000 -23.347 18.968) 30.081 79.466 ( 0.000 23.347 18.968) 30.081 79.922 ( 0.000 -39.102 -17.797) 42.962 79.922 ( 0.000 39.102 -17.797) 42.962 ======================= Grid point 119 (47/50) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.490 -12.668 8.016) 15.065 1.447 ( -1.490 12.668 8.016) 15.065 1.614 ( -6.649 -7.301 -5.257) 11.187 1.614 ( -6.649 7.301 -5.257) 11.187 1.959 ( 9.566 -6.783 8.672) 14.585 1.959 ( 9.566 6.783 8.672) 14.585 2.178 ( 7.074 -5.663 -4.270) 10.017 2.178 ( 7.074 5.663 -4.270) 10.017 2.400 ( 4.010 -7.121 -5.422) 9.808 2.400 ( 4.010 7.121 -5.422) 9.808 2.480 ( 1.737 -4.722 -8.397) 9.789 2.480 ( 1.737 4.722 -8.397) 9.789 2.881 ( -2.017 -10.773 4.869) 11.993 2.881 ( -2.017 10.773 4.869) 11.993 2.942 ( 0.149 -5.554 -0.016) 5.556 2.942 ( 0.149 5.554 -0.016) 5.556 3.197 ( 2.559 -3.483 7.890) 8.996 3.197 ( 2.559 3.483 7.890) 8.996 3.339 ( 3.113 -3.822 -2.291) 5.436 3.339 ( 3.113 3.822 -2.291) 5.436 3.549 ( 3.456 -6.901 0.740) 7.754 3.549 ( 3.456 6.901 0.740) 7.754 3.647 ( 3.886 -5.557 -4.001) 7.873 3.647 ( 3.886 5.557 -4.001) 7.873 3.866 ( -0.197 -10.704 2.361) 10.963 3.866 ( -0.197 10.704 2.361) 10.963 3.973 ( 1.531 -5.241 -5.887) 8.029 3.973 ( 1.531 5.241 -5.887) 8.029 4.242 ( -1.277 -6.286 3.069) 7.111 4.242 ( -1.277 6.286 3.069) 7.111 4.284 ( -0.758 -7.274 -0.371) 7.323 4.284 ( -0.758 7.274 -0.371) 7.323 5.388 ( -1.126 -4.393 2.016) 4.963 5.388 ( -1.126 4.393 2.016) 4.963 5.452 ( -0.607 -3.211 -3.319) 4.658 5.452 ( -0.607 3.211 -3.319) 4.658 5.979 ( -6.958 -4.255 4.843) 9.485 5.979 ( -6.958 4.255 4.843) 9.485 6.066 ( -5.694 -4.231 -2.464) 7.509 6.066 ( -5.694 4.231 -2.464) 7.509 6.669 ( 3.309 -0.450 0.980) 3.480 6.669 ( 3.309 0.450 0.980) 3.480 6.690 ( 2.382 -1.896 -0.689) 3.121 6.690 ( 2.382 1.896 -0.689) 3.121 7.418 ( 1.468 -7.881 4.864) 9.377 7.418 ( 1.468 7.881 4.864) 9.377 7.581 ( 1.688 -3.615 -9.477) 10.283 7.581 ( 1.688 3.615 -9.477) 10.283 7.955 ( -0.760 -11.016 3.608) 11.616 7.955 ( -0.760 11.016 3.608) 11.616 8.029 ( -2.090 -11.838 -2.461) 12.270 8.029 ( -2.090 11.838 -2.461) 12.270 8.335 ( -1.782 -6.642 17.569) 18.867 8.335 ( -1.782 6.642 17.569) 18.867 8.716 ( -4.137 -10.443 -14.126) 18.048 8.716 ( -4.137 10.443 -14.126) 18.048 9.882 ( 0.755 -1.598 0.808) 1.944 9.882 ( 0.755 1.598 0.808) 1.944 9.911 ( 1.231 -2.659 -1.113) 3.134 9.911 ( 1.231 2.659 -1.113) 3.134 10.149 ( -0.761 -1.561 7.430) 7.631 10.149 ( -0.761 1.561 7.430) 7.631 10.314 ( -0.530 -0.848 -6.182) 6.263 10.314 ( -0.530 0.848 -6.182) 6.263 11.070 ( 0.942 -4.633 1.123) 4.859 11.070 ( 0.942 4.633 1.123) 4.859 11.124 ( 1.009 -5.849 -3.828) 7.062 11.124 ( 1.009 5.849 -3.828) 7.062 11.506 ( -1.832 -6.957 7.715) 10.549 11.506 ( -1.832 6.957 7.715) 10.549 11.652 ( -2.985 -6.926 -4.742) 8.909 11.652 ( -2.985 6.926 -4.742) 8.909 18.521 ( 4.433 -7.262 3.532) 9.212 18.521 ( 4.433 7.262 3.532) 9.212 18.557 ( 4.546 -7.129 0.517) 8.471 18.557 ( 4.546 7.129 0.517) 8.471 19.014 ( 4.968 -5.025 -0.909) 7.125 19.014 ( 4.968 5.026 -0.909) 7.125 19.118 ( 3.731 -7.576 -7.995) 11.630 19.118 ( 3.731 7.576 -7.995) 11.630 19.338 ( 5.128 -2.710 5.727) 8.151 19.338 ( 5.128 2.710 5.727) 8.151 19.444 ( 4.099 -2.416 -2.871) 5.557 19.444 ( 4.099 2.416 -2.871) 5.557 19.955 ( -2.096 -2.728 3.055) 4.601 19.955 ( -2.096 2.728 3.055) 4.601 20.026 ( -2.145 -1.472 -1.490) 2.998 20.026 ( -2.145 1.472 -1.490) 2.998 20.409 ( 0.978 -4.786 2.177) 5.348 20.409 ( 0.978 4.786 2.177) 5.348 20.463 ( -0.342 -2.873 -1.148) 3.113 20.463 ( -0.342 2.873 -1.148) 3.113 21.782 ( -2.352 -1.564 0.069) 2.825 21.782 ( -2.352 1.564 0.069) 2.825 21.788 ( -2.564 -2.322 -0.323) 3.474 21.788 ( -2.564 2.322 -0.323) 3.474 22.144 ( 1.043 -3.284 0.206) 3.452 22.144 ( 1.043 3.284 0.206) 3.452 22.152 ( 0.921 -1.050 -0.448) 1.466 22.152 ( 0.921 1.050 -0.448) 1.466 23.073 ( -1.295 -2.019 4.560) 5.152 23.073 ( -1.295 2.019 4.560) 5.152 23.192 ( -1.386 -5.280 -5.080) 7.456 23.192 ( -1.386 5.280 -5.080) 7.456 34.607 ( 0.254 -12.156 0.424) 12.166 34.607 ( 0.254 12.156 0.424) 12.166 34.616 ( 0.390 -12.750 -0.321) 12.760 34.616 ( 0.390 12.750 -0.321) 12.760 35.746 ( -1.840 -3.782 1.388) 4.429 35.746 ( -1.840 3.782 1.388) 4.429 35.778 ( -2.268 -5.367 -1.248) 5.959 35.778 ( -2.268 5.367 -1.248) 5.959 78.237 ( -1.114 -3.747 1.189) 4.086 78.237 ( -1.114 3.747 1.189) 4.086 78.265 ( -1.124 -3.814 -1.041) 4.111 78.265 ( -1.124 3.814 -1.041) 4.111 79.442 ( -2.176 -20.792 17.027) 26.962 79.442 ( -2.176 20.792 17.027) 26.962 79.852 ( -6.404 -34.722 -16.108) 38.809 79.852 ( -6.404 34.722 -16.108) 38.809 ======================= Grid point 121 (48/50) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -8.701 -9.423 0.508) 12.836 1.371 ( -8.701 9.424 0.508) 12.836 1.435 ( -7.025 -9.624 -3.258) 12.353 1.435 ( -7.025 9.624 -3.258) 12.353 2.189 ( 10.896 -5.320 10.308) 15.915 2.189 ( 10.896 5.320 10.308) 15.915 2.301 ( 4.085 -4.648 2.015) 6.508 2.301 ( 4.085 4.648 2.015) 6.508 2.456 ( 1.638 -7.642 -2.223) 8.126 2.456 ( 1.638 7.642 -2.223) 8.126 2.591 ( 8.018 -3.874 -10.785) 13.986 2.591 ( 8.018 3.874 -10.785) 13.986 2.881 ( 3.427 -11.237 2.653) 12.044 2.881 ( 3.427 11.237 2.653) 12.044 2.965 ( 1.994 -9.642 -3.396) 10.415 2.965 ( 1.994 9.642 -3.396) 10.415 3.265 ( 3.976 -6.638 6.061) 9.829 3.265 ( 3.976 6.638 6.061) 9.829 3.389 ( 1.658 -4.253 -2.389) 5.152 3.389 ( 1.658 4.253 -2.389) 5.152 3.643 ( 5.570 -6.754 2.425) 9.084 3.643 ( 5.570 6.754 2.425) 9.084 3.750 ( 5.501 -6.716 -4.798) 9.919 3.750 ( 5.501 6.716 -4.798) 9.919 3.871 ( 1.011 -6.420 5.509) 8.520 3.871 ( 1.011 6.420 5.509) 8.520 4.010 ( 2.152 -4.152 -6.317) 7.860 4.010 ( 2.152 4.152 -6.317) 7.860 4.215 ( -1.093 -5.675 3.402) 6.706 4.215 ( -1.093 5.675 3.402) 6.706 4.265 ( -0.918 -6.884 -0.589) 6.970 4.265 ( -0.918 6.884 -0.589) 6.970 5.358 ( -1.771 -3.435 2.176) 4.436 5.358 ( -1.771 3.435 2.176) 4.436 5.428 ( -1.941 -2.059 -3.561) 4.548 5.428 ( -1.941 2.059 -3.561) 4.548 5.799 ( -10.461 -2.887 5.120) 11.999 5.799 ( -10.461 2.887 5.120) 11.999 5.902 ( -10.303 -3.258 -3.398) 11.327 5.902 ( -10.303 3.258 -3.398) 11.327 6.741 ( 3.513 -2.222 0.649) 4.207 6.741 ( 3.513 2.222 0.649) 4.207 6.757 ( 3.976 -1.275 -0.277) 4.184 6.757 ( 3.976 1.275 -0.277) 4.184 7.459 ( 2.588 -7.754 4.980) 9.572 7.459 ( 2.588 7.754 4.980) 9.572 7.623 ( 2.151 -3.734 -9.313) 10.262 7.623 ( 2.151 3.734 -9.313) 10.262 7.935 ( -1.118 -9.951 1.984) 10.209 7.935 ( -1.118 9.951 1.984) 10.209 7.977 ( -2.636 -9.750 -1.229) 10.174 7.977 ( -2.636 9.750 -1.229) 10.174 8.293 ( -2.226 -5.935 14.804) 16.104 8.293 ( -2.226 5.935 14.804) 16.104 8.606 ( -6.515 -7.891 -11.395) 15.316 8.606 ( -6.515 7.891 -11.395) 15.316 9.906 ( 1.706 -2.300 1.691) 3.326 9.906 ( 1.706 2.300 1.691) 3.326 9.948 ( 2.378 -3.797 -1.282) 4.660 9.948 ( 2.378 3.797 -1.282) 4.660 10.132 ( -0.812 -1.508 6.548) 6.768 10.132 ( -0.812 1.508 6.548) 6.768 10.293 ( -1.627 -1.072 -6.471) 6.758 10.293 ( -1.627 1.072 -6.471) 6.758 11.093 ( 1.195 -3.653 1.295) 4.056 11.093 ( 1.195 3.653 1.295) 4.056 11.146 ( 0.969 -4.814 -3.473) 6.015 11.146 ( 0.969 4.814 -3.473) 6.015 11.454 ( -3.230 -6.184 6.163) 9.309 11.454 ( -3.230 6.184 6.163) 9.309 11.570 ( -4.955 -7.155 -3.748) 9.476 11.570 ( -4.955 7.155 -3.748) 9.476 18.635 ( 6.486 -2.294 2.809) 7.432 18.635 ( 6.486 2.294 2.809) 7.432 18.672 ( 6.347 -3.885 -0.132) 7.443 18.672 ( 6.347 3.885 -0.132) 7.443 19.136 ( 6.356 -1.840 0.263) 6.622 19.136 ( 6.356 1.840 0.263) 6.622 19.223 ( 6.476 -2.456 -5.589) 8.899 19.223 ( 6.476 2.456 -5.589) 8.899 19.478 ( 8.157 -3.949 3.905) 9.868 19.478 ( 8.157 3.949 3.905) 9.868 19.567 ( 7.762 -0.569 -2.721) 8.244 19.567 ( 7.762 0.569 -2.721) 8.244 19.909 ( -1.838 -0.412 2.806) 3.380 19.909 ( -1.838 0.412 2.806) 3.380 19.975 ( -2.559 -2.929 -2.294) 4.515 19.975 ( -2.559 2.929 -2.294) 4.515 20.425 ( 0.336 -1.175 1.410) 1.866 20.425 ( 0.336 1.175 1.410) 1.866 20.448 ( -1.065 -1.857 0.107) 2.144 20.448 ( -1.065 1.857 0.107) 2.144 21.723 ( -3.061 -1.482 0.112) 3.402 21.723 ( -3.061 1.482 0.112) 3.402 21.730 ( -3.064 -2.217 -0.271) 3.792 21.730 ( -3.064 2.217 -0.271) 3.792 22.163 ( 0.645 -2.929 0.247) 3.009 22.163 ( 0.645 2.929 0.247) 3.009 22.173 ( 0.914 -0.859 -0.525) 1.360 22.173 ( 0.914 0.859 -0.525) 1.360 23.037 ( -2.163 -1.095 4.255) 4.898 23.037 ( -2.163 1.095 4.255) 4.898 23.147 ( -3.105 -3.603 -4.635) 6.641 23.147 ( -3.105 3.603 -4.635) 6.641 34.615 ( 0.494 -10.361 0.516) 10.385 34.615 ( 0.494 10.361 0.516) 10.385 34.627 ( 0.590 -10.777 -0.446) 10.802 34.627 ( 0.590 10.777 -0.446) 10.802 35.696 ( -2.875 -3.318 0.908) 4.483 35.696 ( -2.875 3.318 0.908) 4.483 35.718 ( -3.496 -4.423 -0.834) 5.699 35.718 ( -3.496 4.423 -0.834) 5.699 78.205 ( -1.981 -3.491 1.125) 4.169 78.205 ( -1.981 3.491 1.125) 4.169 78.231 ( -2.198 -3.898 -0.947) 4.574 78.231 ( -2.198 3.898 -0.947) 4.574 79.394 ( -2.217 -14.700 12.366) 19.337 79.394 ( -2.217 14.700 12.366) 19.337 79.695 ( -8.441 -24.492 -11.934) 28.523 79.695 ( -8.441 24.492 -11.934) 28.523 ======================= Grid point 123 (49/50) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -7.387 -4.032 4.795) 9.686 1.170 ( -7.387 4.032 4.795) 9.686 1.342 ( -4.393 -6.811 -8.913) 12.047 1.342 ( -4.393 6.811 -8.913) 12.047 2.291 ( -0.428 -1.091 5.414) 5.539 2.291 ( -0.428 1.091 5.414) 5.539 2.348 ( 0.846 -2.868 2.350) 3.803 2.348 ( 0.846 2.868 2.350) 3.803 2.537 ( 5.934 -4.631 2.908) 8.069 2.537 ( 5.934 4.631 2.908) 8.069 2.698 ( 2.613 -5.098 -5.713) 8.090 2.698 ( 2.613 5.098 -5.713) 8.090 3.006 ( 4.391 -2.455 -1.936) 5.390 3.006 ( 4.391 2.455 -1.936) 5.390 3.041 ( 8.076 -3.641 -3.196) 9.418 3.041 ( 8.076 3.641 -3.196) 9.418 3.340 ( 3.068 -6.223 3.171) 7.628 3.340 ( 3.068 6.223 3.171) 7.628 3.419 ( 1.812 -4.009 -2.505) 5.063 3.419 ( 1.812 4.009 -2.505) 5.063 3.747 ( 4.006 -6.058 3.732) 8.166 3.747 ( 4.006 6.058 3.732) 8.166 3.815 ( 0.667 -7.268 -0.128) 7.300 3.815 ( 0.667 7.268 -0.128) 7.300 3.935 ( 5.250 -2.408 3.238) 6.622 3.935 ( 5.250 2.408 3.238) 6.622 4.056 ( 2.079 -3.431 -5.074) 6.468 4.056 ( 2.079 3.431 -5.074) 6.468 4.214 ( 1.291 -3.730 2.415) 4.627 4.214 ( 1.291 3.730 2.415) 4.627 4.259 ( 0.581 -3.781 -0.654) 3.881 4.259 ( 0.581 3.781 -0.654) 3.881 5.324 ( -1.201 -2.004 1.554) 2.806 5.324 ( -1.201 2.004 1.554) 2.806 5.378 ( -2.663 -1.137 -2.807) 4.032 5.378 ( -2.663 1.137 -2.807) 4.032 5.582 ( -10.474 -2.381 3.977) 11.454 5.582 ( -10.474 2.381 3.977) 11.454 5.671 ( -12.032 -2.939 -3.302) 12.818 5.671 ( -12.032 2.939 -3.302) 12.818 6.808 ( 3.115 -2.002 1.186) 3.889 6.808 ( 3.115 2.002 1.186) 3.889 6.831 ( 3.046 -1.120 -0.405) 3.271 6.831 ( 3.046 1.120 -0.405) 3.271 7.518 ( 3.104 -7.356 4.214) 9.028 7.518 ( 3.104 7.356 4.214) 9.028 7.652 ( 0.376 -2.386 -7.181) 7.577 7.652 ( 0.376 2.386 -7.181) 7.577 7.915 ( -0.639 -5.845 0.914) 5.950 7.915 ( -0.639 5.845 0.914) 5.950 7.939 ( -1.003 -4.542 -0.725) 4.708 7.939 ( -1.003 4.542 -0.725) 4.708 8.256 ( -1.147 -4.177 9.781) 10.697 8.256 ( -1.147 4.177 9.781) 10.697 8.467 ( -7.004 -5.699 -7.801) 11.933 8.467 ( -7.004 5.699 -7.801) 11.933 9.949 ( 2.475 -2.410 2.530) 4.282 9.949 ( 2.475 2.410 2.530) 4.282 9.999 ( 2.352 -3.751 -0.707) 4.483 9.999 ( 2.352 3.751 -0.707) 4.483 10.122 ( -0.030 -1.957 4.219) 4.651 10.122 ( -0.030 1.957 4.219) 4.651 10.250 ( -2.548 -1.072 -5.571) 6.219 10.250 ( -2.548 1.072 -5.571) 6.219 11.116 ( 1.195 -2.803 1.336) 3.327 11.116 ( 1.195 2.803 1.336) 3.327 11.161 ( 0.540 -4.274 -2.420) 4.941 11.161 ( 0.540 4.274 -2.420) 4.941 11.385 ( -3.337 -4.561 3.927) 6.882 11.385 ( -3.337 4.561 3.927) 6.882 11.465 ( -5.169 -7.162 -2.808) 9.268 11.465 ( -5.169 7.162 -2.808) 9.268 18.765 ( 6.044 -1.325 1.741) 6.428 18.765 ( 6.044 1.325 1.741) 6.428 18.792 ( 5.297 -1.264 -0.429) 5.463 18.792 ( 5.297 1.264 -0.429) 5.463 19.247 ( 4.358 -5.499 2.064) 7.314 19.247 ( 4.358 5.499 2.064) 7.314 19.336 ( 3.265 -4.149 -5.027) 7.290 19.336 ( 3.265 4.149 -5.027) 7.290 19.638 ( 7.699 -5.604 4.177) 10.399 19.638 ( 7.699 5.604 4.177) 10.399 19.732 ( 7.953 -5.020 -3.145) 9.916 19.732 ( 7.953 5.020 -3.145) 9.916 19.910 ( 1.762 -4.758 1.135) 5.199 19.910 ( 1.762 4.758 1.135) 5.199 19.938 ( -0.635 -5.755 -1.080) 5.890 19.938 ( -0.635 5.755 -1.080) 5.890 20.409 ( -1.644 -4.390 1.253) 4.852 20.409 ( -1.644 4.390 1.253) 4.852 20.428 ( -1.058 -4.532 -0.381) 4.670 20.428 ( -1.058 4.532 -0.381) 4.670 21.668 ( -2.272 -4.142 0.208) 4.729 21.668 ( -2.272 4.142 0.208) 4.729 21.675 ( -2.158 -2.441 -0.226) 3.266 21.675 ( -2.158 2.441 -0.226) 3.266 22.167 ( -0.123 -2.852 0.553) 2.907 22.167 ( -0.123 2.852 0.553) 2.907 22.182 ( -0.080 -0.512 -0.570) 0.770 22.182 ( -0.080 0.512 -0.569) 0.770 22.995 ( -1.681 -0.330 3.008) 3.462 22.995 ( -1.681 0.330 3.008) 3.462 23.075 ( -3.771 -2.022 -3.394) 5.462 23.075 ( -3.771 2.022 -3.394) 5.462 34.626 ( 0.624 -7.183 0.485) 7.226 34.626 ( 0.624 7.183 0.485) 7.226 34.638 ( 0.456 -7.370 -0.442) 7.398 34.638 ( 0.456 7.370 -0.442) 7.398 35.639 ( -2.605 -2.401 0.411) 3.567 35.639 ( -2.605 2.401 0.411) 3.567 35.649 ( -3.103 -3.048 -0.388) 4.367 35.649 ( -3.103 3.048 -0.388) 4.367 78.164 ( -1.917 -2.520 0.838) 3.276 78.164 ( -1.917 2.520 0.838) 3.276 78.182 ( -2.423 -3.202 -0.629) 4.065 78.182 ( -2.423 3.202 -0.629) 4.065 79.365 ( -0.514 -7.847 7.069) 10.574 79.365 ( -0.514 7.847 7.069) 10.574 79.540 ( -6.682 -13.750 -7.016) 16.821 79.540 ( -6.682 13.750 -7.016) 16.821 ======================= Grid point 125 (50/50) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 2.936 -5.005 3.730) 6.899 1.129 ( 2.936 5.005 3.730) 6.899 1.235 ( -6.164 -5.781 -4.658) 9.649 1.235 ( -6.164 5.781 -4.658) 9.649 2.282 ( 0.840 -3.421 1.500) 3.828 2.282 ( 0.840 3.421 1.500) 3.828 2.324 ( -2.553 -3.048 -0.789) 4.054 2.324 ( -2.553 3.048 -0.789) 4.054 2.641 ( 4.255 -2.540 0.610) 4.993 2.641 ( 4.255 2.540 0.610) 4.993 2.705 ( -1.785 -1.828 -4.043) 4.783 2.705 ( -1.785 1.828 -4.043) 4.783 3.096 ( 4.584 -0.809 3.180) 5.637 3.096 ( 4.584 0.810 3.180) 5.637 3.148 ( 0.745 -0.689 0.236) 1.042 3.148 ( 0.745 0.689 0.236) 1.042 3.402 ( 3.535 -1.751 -0.442) 3.970 3.402 ( 3.535 1.751 -0.442) 3.970 3.447 ( -0.093 -2.656 -3.166) 4.133 3.447 ( -0.093 2.656 -3.166) 4.133 3.792 ( 1.027 -3.152 3.392) 4.743 3.792 ( 1.027 3.152 3.392) 4.743 3.811 ( -0.747 -2.084 2.477) 3.322 3.811 ( -0.747 2.084 2.477) 3.323 4.034 ( 3.883 -0.501 0.603) 3.962 4.034 ( 3.883 0.501 0.603) 3.962 4.077 ( -0.353 -2.490 -1.872) 3.135 4.077 ( -0.353 2.490 -1.872) 3.135 4.259 ( 2.414 -2.838 0.753) 3.801 4.259 ( 2.414 2.838 0.753) 3.801 4.279 ( 0.606 -1.331 -0.291) 1.491 4.279 ( 0.606 1.332 -0.291) 1.491 5.329 ( 1.943 -1.794 0.091) 2.647 5.329 ( 1.943 1.794 0.091) 2.647 5.346 ( 0.398 -1.318 -1.236) 1.850 5.346 ( 0.398 1.318 -1.236) 1.850 5.408 ( -6.090 -2.388 1.741) 6.769 5.408 ( -6.090 2.388 1.741) 6.769 5.453 ( -8.762 -2.973 -2.021) 9.470 5.453 ( -8.762 2.973 -2.021) 9.470 6.859 ( 1.709 -1.007 1.067) 2.252 6.859 ( 1.709 1.007 1.067) 2.252 6.870 ( 0.698 -0.433 0.256) 0.860 6.870 ( 0.698 0.433 0.256) 0.860 7.580 ( 2.986 -5.980 1.717) 6.901 7.580 ( 2.986 5.980 1.717) 6.901 7.633 ( -2.098 -2.985 -2.499) 4.422 7.633 ( -2.098 2.985 -2.499) 4.422 7.917 ( 0.643 -3.791 -0.016) 3.845 7.917 ( 0.643 3.791 -0.016) 3.845 7.929 ( -0.386 -3.328 -0.701) 3.422 7.929 ( -0.386 3.328 -0.701) 3.422 8.260 ( 1.947 -2.659 3.156) 4.563 8.260 ( 1.947 2.659 3.156) 4.563 8.338 ( -5.513 -4.135 -3.168) 7.584 8.338 ( -5.513 4.135 -3.168) 7.584 9.998 ( 2.118 -1.832 2.894) 4.027 9.998 ( 2.118 1.832 2.894) 4.027 10.024 ( -0.174 -1.336 1.963) 2.381 10.024 ( -0.174 1.336 1.963) 2.381 10.141 ( 2.084 -1.757 -0.584) 2.788 10.141 ( 2.084 1.757 -0.584) 2.788 10.194 ( -2.890 -1.135 -3.753) 4.871 10.194 ( -2.890 1.135 -3.753) 4.871 11.142 ( 1.338 -3.253 1.322) 3.758 11.142 ( 1.338 3.253 1.322) 3.758 11.163 ( -0.500 -3.388 -0.175) 3.429 11.163 ( -0.500 3.388 -0.175) 3.429 11.341 ( -0.397 -2.314 0.669) 2.442 11.341 ( -0.397 2.314 0.669) 2.442 11.375 ( -3.480 -5.918 -1.881) 7.118 11.375 ( -3.480 5.918 -1.881) 7.118 18.861 ( 2.993 -2.027 0.674) 3.677 18.861 ( 2.993 2.027 0.674) 3.677 18.870 ( 2.053 -0.712 -0.086) 2.175 18.870 ( 2.053 0.712 -0.086) 2.175 19.306 ( 1.946 -5.639 0.997) 6.048 19.306 ( 1.946 5.639 0.997) 6.048 19.342 ( -1.582 -2.425 -1.878) 3.451 19.342 ( -1.582 2.425 -1.878) 3.451 19.787 ( 6.441 -9.270 2.732) 11.614 19.787 ( 6.441 9.270 2.732) 11.614 19.852 ( 1.994 -4.374 -2.368) 5.359 19.852 ( 1.994 4.374 -2.368) 5.359 19.921 ( 1.176 -2.518 1.344) 3.087 19.921 ( 1.176 2.518 1.344) 3.087 19.957 ( -0.019 -3.197 -1.087) 3.377 19.957 ( -0.019 3.197 -1.087) 3.377 20.386 ( -0.204 -0.310 0.426) 0.564 20.386 ( -0.204 0.310 0.426) 0.564 20.401 ( -1.416 -2.397 -0.765) 2.887 20.401 ( -1.416 2.397 -0.765) 2.887 21.639 ( -0.558 -3.650 0.316) 3.706 21.639 ( -0.558 3.650 0.316) 3.706 21.644 ( -0.977 -0.395 -0.056) 1.056 21.644 ( -0.977 0.395 -0.056) 1.056 22.164 ( 0.040 -2.146 0.412) 2.186 22.164 ( 0.040 2.146 0.412) 2.186 22.172 ( -0.665 -0.766 -0.207) 1.036 22.172 ( -0.665 0.766 -0.207) 1.036 22.979 ( 0.275 -0.582 0.914) 1.118 22.979 ( 0.275 0.582 0.914) 1.118 23.008 ( -2.548 -1.042 -1.416) 3.095 23.008 ( -2.548 1.042 -1.416) 3.096 34.638 ( 0.463 -2.632 0.216) 2.681 34.638 ( 0.463 2.632 0.216) 2.681 34.643 ( 0.003 -2.628 -0.182) 2.634 34.643 ( 0.003 2.628 -0.182) 2.634 35.601 ( -1.013 -0.826 0.095) 1.311 35.601 ( -1.013 0.826 0.095) 1.311 35.603 ( -1.277 -1.207 -0.097) 1.760 35.603 ( -1.277 1.207 -0.097) 1.760 78.137 ( -0.615 -0.929 0.385) 1.179 78.137 ( -0.615 0.929 0.385) 1.179 78.143 ( -1.242 -1.569 -0.131) 2.005 78.143 ( -1.242 1.569 -0.131) 2.005 79.376 ( 1.654 -1.446 2.196) 3.107 79.376 ( 1.654 1.446 2.196) 3.107 79.432 ( -4.006 -5.269 -2.341) 7.021 79.432 ( -4.006 5.269 -2.341) 7.021 =================== 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 37.509 42.830 21.224 0.000 0.000 -0.000 3/25920 20.0 10.155 9.154 5.922 0.000 0.000 -0.000 3/25920 30.0 5.138 4.407 2.927 0.000 0.000 -0.000 3/25920 40.0 3.378 2.857 1.899 0.000 0.000 -0.000 3/25920 50.0 2.537 2.137 1.411 0.000 0.000 -0.000 3/25920 60.0 2.053 1.728 1.134 0.000 0.000 -0.000 3/25920 70.0 1.739 1.467 0.959 0.000 0.000 -0.000 3/25920 80.0 1.517 1.284 0.839 0.000 0.000 -0.000 3/25920 90.0 1.351 1.150 0.751 0.000 0.000 -0.000 3/25920 100.0 1.221 1.045 0.684 0.000 0.000 -0.000 3/25920 110.0 1.117 0.961 0.630 0.000 0.000 -0.000 3/25920 120.0 1.031 0.892 0.586 0.000 0.000 -0.000 3/25920 130.0 0.958 0.834 0.548 0.000 0.000 -0.000 3/25920 140.0 0.895 0.783 0.516 0.000 0.000 -0.000 3/25920 150.0 0.841 0.739 0.487 0.000 0.000 -0.000 3/25920 160.0 0.793 0.700 0.462 0.000 0.000 -0.000 3/25920 170.0 0.751 0.666 0.440 0.000 0.000 -0.000 3/25920 180.0 0.713 0.635 0.419 0.000 0.000 -0.000 3/25920 190.0 0.679 0.606 0.401 0.000 0.000 -0.000 3/25920 200.0 0.649 0.581 0.384 0.000 0.000 -0.000 3/25920 210.0 0.621 0.557 0.368 0.000 0.000 -0.000 3/25920 220.0 0.595 0.536 0.354 0.000 0.000 -0.000 3/25920 230.0 0.572 0.516 0.340 0.000 0.000 -0.000 3/25920 240.0 0.550 0.498 0.328 0.000 0.000 -0.000 3/25920 250.0 0.530 0.481 0.317 0.000 0.000 -0.000 3/25920 260.0 0.512 0.465 0.306 0.000 0.000 -0.000 3/25920 270.0 0.495 0.450 0.296 0.000 0.000 -0.000 3/25920 280.0 0.479 0.436 0.287 0.000 0.000 -0.000 3/25920 290.0 0.464 0.424 0.278 0.000 0.000 -0.000 3/25920 300.0 0.450 0.411 0.270 0.000 0.000 -0.000 3/25920 310.0 0.436 0.400 0.262 0.000 0.000 -0.000 3/25920 320.0 0.424 0.389 0.255 0.000 0.000 -0.000 3/25920 330.0 0.412 0.379 0.248 0.000 0.000 -0.000 3/25920 340.0 0.401 0.369 0.241 0.000 0.000 -0.000 3/25920 350.0 0.391 0.360 0.235 0.000 0.000 -0.000 3/25920 360.0 0.381 0.351 0.229 0.000 0.000 -0.000 3/25920 370.0 0.371 0.343 0.223 0.000 0.000 -0.000 3/25920 380.0 0.363 0.335 0.218 0.000 0.000 -0.000 3/25920 390.0 0.354 0.328 0.213 0.000 0.000 -0.000 3/25920 400.0 0.346 0.321 0.208 0.000 0.000 -0.000 3/25920 410.0 0.338 0.314 0.203 0.000 0.000 -0.000 3/25920 420.0 0.331 0.307 0.199 0.000 0.000 -0.000 3/25920 430.0 0.324 0.301 0.194 0.000 0.000 -0.000 3/25920 440.0 0.317 0.295 0.190 0.000 0.000 -0.000 3/25920 450.0 0.311 0.289 0.186 0.000 0.000 -0.000 3/25920 460.0 0.304 0.283 0.182 0.000 0.000 -0.000 3/25920 470.0 0.298 0.278 0.179 0.000 0.000 -0.000 3/25920 480.0 0.293 0.273 0.175 0.000 0.000 -0.000 3/25920 490.0 0.287 0.268 0.172 0.000 0.000 -0.000 3/25920 500.0 0.282 0.263 0.169 0.000 0.000 -0.000 3/25920 510.0 0.277 0.259 0.166 0.000 0.000 -0.000 3/25920 520.0 0.272 0.254 0.163 0.000 0.000 -0.000 3/25920 530.0 0.267 0.250 0.160 0.000 0.000 -0.000 3/25920 540.0 0.262 0.246 0.157 0.000 0.000 -0.000 3/25920 550.0 0.258 0.242 0.154 0.000 0.000 -0.000 3/25920 560.0 0.254 0.238 0.152 0.000 0.000 -0.000 3/25920 570.0 0.250 0.234 0.149 0.000 0.000 -0.000 3/25920 580.0 0.245 0.230 0.147 0.000 0.000 -0.000 3/25920 590.0 0.242 0.227 0.144 0.000 0.000 -0.000 3/25920 600.0 0.238 0.223 0.142 0.000 0.000 -0.000 3/25920 610.0 0.234 0.220 0.140 0.000 0.000 -0.000 3/25920 620.0 0.231 0.217 0.138 0.000 0.000 -0.000 3/25920 630.0 0.227 0.214 0.135 0.000 0.000 -0.000 3/25920 640.0 0.224 0.211 0.133 0.000 0.000 -0.000 3/25920 650.0 0.221 0.208 0.131 0.000 0.000 -0.000 3/25920 660.0 0.218 0.205 0.130 0.000 0.000 -0.000 3/25920 670.0 0.214 0.202 0.128 0.000 0.000 -0.000 3/25920 680.0 0.211 0.199 0.126 0.000 0.000 -0.000 3/25920 690.0 0.209 0.196 0.124 0.000 0.000 -0.000 3/25920 700.0 0.206 0.194 0.122 0.000 0.000 -0.000 3/25920 710.0 0.203 0.191 0.121 0.000 0.000 -0.000 3/25920 720.0 0.200 0.189 0.119 0.000 0.000 -0.000 3/25920 730.0 0.198 0.186 0.118 0.000 0.000 -0.000 3/25920 740.0 0.195 0.184 0.116 0.000 0.000 -0.000 3/25920 750.0 0.193 0.182 0.115 0.000 0.000 -0.000 3/25920 760.0 0.190 0.180 0.113 0.000 0.000 -0.000 3/25920 770.0 0.188 0.177 0.112 0.000 0.000 -0.000 3/25920 780.0 0.186 0.175 0.110 0.000 0.000 -0.000 3/25920 790.0 0.183 0.173 0.109 0.000 0.000 -0.000 3/25920 800.0 0.181 0.171 0.108 0.000 0.000 -0.000 3/25920 810.0 0.179 0.169 0.106 0.000 0.000 -0.000 3/25920 820.0 0.177 0.167 0.105 0.000 0.000 -0.000 3/25920 830.0 0.175 0.165 0.104 0.000 0.000 -0.000 3/25920 840.0 0.173 0.164 0.103 0.000 0.000 -0.000 3/25920 850.0 0.171 0.162 0.101 0.000 0.000 -0.000 3/25920 860.0 0.169 0.160 0.100 0.000 0.000 -0.000 3/25920 870.0 0.167 0.158 0.099 0.000 0.000 -0.000 3/25920 880.0 0.166 0.157 0.098 0.000 0.000 -0.000 3/25920 890.0 0.164 0.155 0.097 0.000 0.000 -0.000 3/25920 900.0 0.162 0.153 0.096 0.000 0.000 -0.000 3/25920 910.0 0.160 0.152 0.095 0.000 0.000 -0.000 3/25920 920.0 0.159 0.150 0.094 0.000 0.000 -0.000 3/25920 930.0 0.157 0.149 0.093 0.000 0.000 -0.000 3/25920 940.0 0.155 0.147 0.092 0.000 0.000 -0.000 3/25920 950.0 0.154 0.146 0.091 0.000 0.000 -0.000 3/25920 960.0 0.152 0.144 0.090 0.000 0.000 -0.000 3/25920 970.0 0.151 0.143 0.089 0.000 0.000 -0.000 3/25920 980.0 0.149 0.141 0.088 0.000 0.000 -0.000 3/25920 990.0 0.148 0.140 0.087 0.000 0.000 -0.000 3/25920 1000.0 0.146 0.139 0.087 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m983.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:42:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|