----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:45:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.012227200000000 Atomic positions (fractional): *1 O 0.10238769803419 0.25000000000000 0.84445343071198 15.999 2 O 0.89761230196581 0.75000000000000 0.15554656928802 15.999 3 O 0.60238769803419 0.25000000000000 0.65554656928802 15.999 4 O 0.39761230196581 0.75000000000000 0.34445343071198 15.999 *5 O 0.04840988269479 0.42185709060789 0.29301558330270 15.999 6 O 0.95159011730521 0.92185709060789 0.70698441669730 15.999 7 O 0.54840988269479 0.42185709060789 0.20698441669730 15.999 8 O 0.45159011730521 0.92185709060789 0.79301558330270 15.999 9 O 0.04840988269479 0.07814290939211 0.29301558330270 15.999 10 O 0.95159011730521 0.57814290939211 0.70698441669730 15.999 11 O 0.54840988269479 0.07814290939211 0.20698441669730 15.999 12 O 0.45159011730521 0.57814290939211 0.79301558330270 15.999 *13 O 0.91995458391969 0.25000000000000 0.06399203402624 15.999 14 O 0.08004541608031 0.75000000000000 0.93600796597376 15.999 15 O 0.41995458391969 0.25000000000000 0.43600796597376 15.999 16 O 0.58004541608031 0.75000000000000 0.56399203402624 15.999 *17 O 0.73421739167833 0.58296965334216 0.49259140879531 15.999 18 O 0.26578260832167 0.08296965334216 0.50740859120468 15.999 19 O 0.23421739167833 0.58296965334216 0.00740859120468 15.999 20 O 0.76578260832167 0.08296965334216 0.99259140879532 15.999 21 O 0.73421739167833 0.91703034665784 0.49259140879531 15.999 22 O 0.26578260832167 0.41703034665784 0.50740859120468 15.999 23 O 0.23421739167833 0.91703034665784 0.00740859120468 15.999 24 O 0.76578260832167 0.41703034665784 0.99259140879532 15.999 *25 O 0.65558278711676 0.75000000000000 0.06348757201079 15.999 26 O 0.34441721288324 0.25000000000000 0.93651242798921 15.999 27 O 0.15558278711676 0.75000000000000 0.43651242798921 15.999 28 O 0.84441721288324 0.25000000000000 0.56348757201079 15.999 *29 Si 0.04235503220349 0.25000000000000 0.12522460092484 28.085 30 Si 0.95764496779651 0.75000000000000 0.87477539907516 28.085 31 Si 0.54235503220349 0.25000000000000 0.37477539907516 28.085 32 Si 0.45764496779651 0.75000000000000 0.62522460092484 28.085 *33 Si 0.81707600035134 0.25000000000000 0.87751916603679 28.085 34 Si 0.18292399964866 0.75000000000000 0.12248083396321 28.085 35 Si 0.31707600035134 0.25000000000000 0.62248083396321 28.085 36 Si 0.68292399964866 0.75000000000000 0.37751916603679 28.085 *37 Ho 0.62492375730674 0.51148154233279 0.83753196073695 164.930 38 Ho 0.37507624269326 0.01148154233279 0.16246803926306 164.930 39 Ho 0.12492375730675 0.51148154233279 0.66246803926305 164.930 40 Ho 0.87507624269326 0.01148154233279 0.33753196073695 164.930 41 Ho 0.62492375730674 0.98851845766721 0.83753196073695 164.930 42 Ho 0.37507624269326 0.48851845766721 0.16246803926306 164.930 43 Ho 0.12492375730675 0.98851845766721 0.66246803926305 164.930 44 Ho 0.87507624269326 0.48851845766721 0.33753196073695 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.012227200000000 Atomic positions (fractional): *1 O 0.10238769803419 0.25000000000000 0.84445343071198 15.999 > 1 2 O 0.89761230196581 0.75000000000000 0.15554656928802 15.999 > 2 3 O 0.60238769803419 0.25000000000000 0.65554656928802 15.999 > 3 4 O 0.39761230196581 0.75000000000000 0.34445343071198 15.999 > 4 *5 O 0.04840988269479 0.42185709060789 0.29301558330270 15.999 > 5 6 O 0.95159011730521 0.92185709060789 0.70698441669730 15.999 > 6 7 O 0.54840988269479 0.42185709060789 0.20698441669730 15.999 > 7 8 O 0.45159011730521 0.92185709060789 0.79301558330270 15.999 > 8 9 O 0.04840988269479 0.07814290939211 0.29301558330270 15.999 > 9 10 O 0.95159011730521 0.57814290939211 0.70698441669730 15.999 > 10 11 O 0.54840988269479 0.07814290939211 0.20698441669730 15.999 > 11 12 O 0.45159011730521 0.57814290939211 0.79301558330270 15.999 > 12 *13 O 0.91995458391969 0.25000000000000 0.06399203402624 15.999 > 13 14 O 0.08004541608031 0.75000000000000 0.93600796597376 15.999 > 14 15 O 0.41995458391969 0.25000000000000 0.43600796597376 15.999 > 15 16 O 0.58004541608031 0.75000000000000 0.56399203402624 15.999 > 16 *17 O 0.73421739167833 0.58296965334216 0.49259140879531 15.999 > 17 18 O 0.26578260832167 0.08296965334216 0.50740859120468 15.999 > 18 19 O 0.23421739167833 0.58296965334216 0.00740859120468 15.999 > 19 20 O 0.76578260832167 0.08296965334216 0.99259140879532 15.999 > 20 21 O 0.73421739167833 0.91703034665784 0.49259140879531 15.999 > 21 22 O 0.26578260832167 0.41703034665784 0.50740859120468 15.999 > 22 23 O 0.23421739167833 0.91703034665784 0.00740859120468 15.999 > 23 24 O 0.76578260832167 0.41703034665784 0.99259140879532 15.999 > 24 *25 O 0.65558278711676 0.75000000000000 0.06348757201079 15.999 > 25 26 O 0.34441721288324 0.25000000000000 0.93651242798921 15.999 > 26 27 O 0.15558278711676 0.75000000000000 0.43651242798921 15.999 > 27 28 O 0.84441721288324 0.25000000000000 0.56348757201079 15.999 > 28 *29 Si 0.04235503220349 0.25000000000000 0.12522460092484 28.085 > 29 30 Si 0.95764496779651 0.75000000000000 0.87477539907516 28.085 > 30 31 Si 0.54235503220349 0.25000000000000 0.37477539907516 28.085 > 31 32 Si 0.45764496779651 0.75000000000000 0.62522460092484 28.085 > 32 *33 Si 0.81707600035134 0.25000000000000 0.87751916603679 28.085 > 33 34 Si 0.18292399964866 0.75000000000000 0.12248083396321 28.085 > 34 35 Si 0.31707600035134 0.25000000000000 0.62248083396321 28.085 > 35 36 Si 0.68292399964866 0.75000000000000 0.37751916603679 28.085 > 36 *37 Ho 0.62492375730674 0.51148154233279 0.83753196073695 164.930 > 37 38 Ho 0.37507624269326 0.01148154233279 0.16246803926306 164.930 > 38 39 Ho 0.12492375730675 0.51148154233279 0.66246803926305 164.930 > 39 40 Ho 0.87507624269326 0.01148154233279 0.33753196073695 164.930 > 40 41 Ho 0.62492375730674 0.98851845766721 0.83753196073695 164.930 > 41 42 Ho 0.37507624269326 0.48851845766721 0.16246803926306 164.930 > 42 43 Ho 0.12492375730675 0.98851845766721 0.66246803926305 164.930 > 43 44 Ho 0.87507624269326 0.48851845766721 0.33753196073695 164.930 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.024454400000000 Atomic positions (fractional): *1 O 0.10238769803419 0.25000000000000 0.42222671535599 15.999 > 1 2 O 0.10238769803419 0.25000000000000 0.92222671535599 15.999 > 1 3 O 0.89761230196581 0.75000000000000 0.07777328464401 15.999 > 2 4 O 0.89761230196581 0.75000000000000 0.57777328464401 15.999 > 2 5 O 0.60238769803419 0.25000000000000 0.32777328464401 15.999 > 3 6 O 0.60238769803419 0.25000000000000 0.82777328464401 15.999 > 3 7 O 0.39761230196581 0.75000000000000 0.17222671535599 15.999 > 4 8 O 0.39761230196581 0.75000000000000 0.67222671535599 15.999 > 4 *9 O 0.04840988269479 0.42185709060789 0.14650779165135 15.999 > 5 10 O 0.04840988269479 0.42185709060789 0.64650779165135 15.999 > 5 11 O 0.95159011730521 0.92185709060789 0.35349220834865 15.999 > 6 12 O 0.95159011730521 0.92185709060789 0.85349220834865 15.999 > 6 13 O 0.54840988269479 0.42185709060789 0.10349220834865 15.999 > 7 14 O 0.54840988269479 0.42185709060789 0.60349220834865 15.999 > 7 15 O 0.45159011730521 0.92185709060789 0.39650779165135 15.999 > 8 16 O 0.45159011730521 0.92185709060789 0.89650779165135 15.999 > 8 17 O 0.04840988269479 0.07814290939211 0.14650779165135 15.999 > 9 18 O 0.04840988269479 0.07814290939211 0.64650779165135 15.999 > 9 19 O 0.95159011730521 0.57814290939211 0.35349220834865 15.999 > 10 20 O 0.95159011730521 0.57814290939211 0.85349220834865 15.999 > 10 21 O 0.54840988269479 0.07814290939211 0.10349220834865 15.999 > 11 22 O 0.54840988269479 0.07814290939211 0.60349220834865 15.999 > 11 23 O 0.45159011730521 0.57814290939211 0.39650779165135 15.999 > 12 24 O 0.45159011730521 0.57814290939211 0.89650779165135 15.999 > 12 *25 O 0.91995458391969 0.25000000000000 0.03199601701312 15.999 > 13 26 O 0.91995458391969 0.25000000000000 0.53199601701312 15.999 > 13 27 O 0.08004541608031 0.75000000000000 0.46800398298688 15.999 > 14 28 O 0.08004541608031 0.75000000000000 0.96800398298688 15.999 > 14 29 O 0.41995458391969 0.25000000000000 0.21800398298688 15.999 > 15 30 O 0.41995458391969 0.25000000000000 0.71800398298688 15.999 > 15 31 O 0.58004541608031 0.75000000000000 0.28199601701312 15.999 > 16 32 O 0.58004541608031 0.75000000000000 0.78199601701312 15.999 > 16 *33 O 0.73421739167833 0.58296965334216 0.24629570439766 15.999 > 17 34 O 0.73421739167833 0.58296965334216 0.74629570439766 15.999 > 17 35 O 0.26578260832167 0.08296965334216 0.25370429560234 15.999 > 18 36 O 0.26578260832167 0.08296965334216 0.75370429560234 15.999 > 18 37 O 0.23421739167833 0.58296965334216 0.00370429560234 15.999 > 19 38 O 0.23421739167833 0.58296965334216 0.50370429560234 15.999 > 19 39 O 0.76578260832167 0.08296965334216 0.49629570439766 15.999 > 20 40 O 0.76578260832167 0.08296965334216 0.99629570439766 15.999 > 20 41 O 0.73421739167833 0.91703034665784 0.24629570439766 15.999 > 21 42 O 0.73421739167833 0.91703034665784 0.74629570439766 15.999 > 21 43 O 0.26578260832167 0.41703034665784 0.25370429560234 15.999 > 22 44 O 0.26578260832167 0.41703034665784 0.75370429560234 15.999 > 22 45 O 0.23421739167833 0.91703034665784 0.00370429560234 15.999 > 23 46 O 0.23421739167833 0.91703034665784 0.50370429560234 15.999 > 23 47 O 0.76578260832167 0.41703034665784 0.49629570439766 15.999 > 24 48 O 0.76578260832167 0.41703034665784 0.99629570439766 15.999 > 24 *49 O 0.65558278711676 0.75000000000000 0.03174378600539 15.999 > 25 50 O 0.65558278711676 0.75000000000000 0.53174378600539 15.999 > 25 51 O 0.34441721288324 0.25000000000000 0.46825621399460 15.999 > 26 52 O 0.34441721288324 0.25000000000000 0.96825621399460 15.999 > 26 53 O 0.15558278711676 0.75000000000000 0.21825621399460 15.999 > 27 54 O 0.15558278711676 0.75000000000000 0.71825621399460 15.999 > 27 55 O 0.84441721288324 0.25000000000000 0.28174378600540 15.999 > 28 56 O 0.84441721288324 0.25000000000000 0.78174378600540 15.999 > 28 *57 Si 0.04235503220349 0.25000000000000 0.06261230046242 28.085 > 29 58 Si 0.04235503220349 0.25000000000000 0.56261230046242 28.085 > 29 59 Si 0.95764496779651 0.75000000000000 0.43738769953758 28.085 > 30 60 Si 0.95764496779651 0.75000000000000 0.93738769953758 28.085 > 30 61 Si 0.54235503220349 0.25000000000000 0.18738769953758 28.085 > 31 62 Si 0.54235503220349 0.25000000000000 0.68738769953758 28.085 > 31 63 Si 0.45764496779651 0.75000000000000 0.31261230046242 28.085 > 32 64 Si 0.45764496779651 0.75000000000000 0.81261230046242 28.085 > 32 *65 Si 0.81707600035134 0.25000000000000 0.43875958301839 28.085 > 33 66 Si 0.81707600035134 0.25000000000000 0.93875958301839 28.085 > 33 67 Si 0.18292399964866 0.75000000000000 0.06124041698161 28.085 > 34 68 Si 0.18292399964866 0.75000000000000 0.56124041698161 28.085 > 34 69 Si 0.31707600035134 0.25000000000000 0.31124041698161 28.085 > 35 70 Si 0.31707600035134 0.25000000000000 0.81124041698161 28.085 > 35 71 Si 0.68292399964866 0.75000000000000 0.18875958301839 28.085 > 36 72 Si 0.68292399964866 0.75000000000000 0.68875958301839 28.085 > 36 *73 Ho 0.62492375730674 0.51148154233279 0.41876598036847 164.930 > 37 74 Ho 0.62492375730674 0.51148154233279 0.91876598036847 164.930 > 37 75 Ho 0.37507624269326 0.01148154233279 0.08123401963153 164.930 > 38 76 Ho 0.37507624269326 0.01148154233279 0.58123401963153 164.930 > 38 77 Ho 0.12492375730675 0.51148154233279 0.33123401963153 164.930 > 39 78 Ho 0.12492375730675 0.51148154233279 0.83123401963153 164.930 > 39 79 Ho 0.87507624269326 0.01148154233279 0.16876598036847 164.930 > 40 80 Ho 0.87507624269326 0.01148154233279 0.66876598036847 164.930 > 40 81 Ho 0.62492375730674 0.98851845766721 0.41876598036847 164.930 > 41 82 Ho 0.62492375730674 0.98851845766721 0.91876598036847 164.930 > 41 83 Ho 0.37507624269326 0.48851845766721 0.08123401963153 164.930 > 42 84 Ho 0.37507624269326 0.48851845766721 0.58123401963153 164.930 > 42 85 Ho 0.12492375730675 0.98851845766721 0.33123401963153 164.930 > 43 86 Ho 0.12492375730675 0.98851845766721 0.83123401963153 164.930 > 43 87 Ho 0.87507624269326 0.48851845766721 0.16876598036847 164.930 > 44 88 Ho 0.87507624269326 0.48851845766721 0.66876598036847 164.930 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3504807 0.0000000 0.0000000 0.0000000 3.4077884 0.0000000 0.0000000 0.0000000 3.3698015 -------------------------- Born effective charges -------------------------- 1 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 2 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 3 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 4 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 5 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 6 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 7 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 8 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 9 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 10 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 11 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 12 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 13 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 14 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 15 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 16 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 17 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 18 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 19 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 20 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 21 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 22 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 23 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 24 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 25 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 26 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 27 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 28 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 29 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 30 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 31 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 32 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 33 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 34 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 35 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 36 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 37 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 38 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 39 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 40 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 41 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 42 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 43 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 44 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 236 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 23), data: (584, 39) @ (39, 23) |-- (84, 75), data: True |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 720 - Time: 0.467 Solver_block: 200 / 720 - Time: 0.417 Solver_block: 300 / 720 - Time: 0.416 Solver_block: 400 / 720 - Time: 0.417 Solver_block: 500 / 720 - Time: 0.417 Solver_block: 600 / 720 - Time: 0.418 Solver_block: 700 / 720 - Time: 0.418 Solver_block: 720 / 720 - Time: 0.120 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.155 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2327 Number of blocks in projector: 2327 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 234 eigenvectors found. (2) Block: 500 / 584 (2) 236 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 325 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2327, 2275), data: False |-- (325, 317), data: True |-- (325, 317), data: True |-- (325, 317), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 568), data: False |-- (584, 568), data: False |-- (584, 23), data: (584, 39) @ (39, 23) |-- (84, 75), data: True |-- (250, 236), data: True |-- (250, 234), 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 04:45:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:45:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.012227200000000 Atomic positions (fractional): 1 O 0.10238769803419 0.25000000000000 0.84445343071198 15.999 2 O 0.89761230196581 0.75000000000000 0.15554656928802 15.999 3 O 0.60238769803419 0.25000000000000 0.65554656928802 15.999 4 O 0.39761230196581 0.75000000000000 0.34445343071198 15.999 5 O 0.04840988269479 0.42185709060789 0.29301558330270 15.999 6 O 0.95159011730521 0.92185709060789 0.70698441669730 15.999 7 O 0.54840988269479 0.42185709060789 0.20698441669730 15.999 8 O 0.45159011730521 0.92185709060789 0.79301558330270 15.999 9 O 0.04840988269479 0.07814290939211 0.29301558330270 15.999 10 O 0.95159011730521 0.57814290939211 0.70698441669730 15.999 11 O 0.54840988269479 0.07814290939211 0.20698441669730 15.999 12 O 0.45159011730521 0.57814290939211 0.79301558330270 15.999 13 O 0.91995458391969 0.25000000000000 0.06399203402624 15.999 14 O 0.08004541608031 0.75000000000000 0.93600796597376 15.999 15 O 0.41995458391969 0.25000000000000 0.43600796597376 15.999 16 O 0.58004541608031 0.75000000000000 0.56399203402624 15.999 17 O 0.73421739167833 0.58296965334216 0.49259140879531 15.999 18 O 0.26578260832167 0.08296965334216 0.50740859120468 15.999 19 O 0.23421739167833 0.58296965334216 0.00740859120468 15.999 20 O 0.76578260832167 0.08296965334216 0.99259140879532 15.999 21 O 0.73421739167833 0.91703034665784 0.49259140879531 15.999 22 O 0.26578260832167 0.41703034665784 0.50740859120468 15.999 23 O 0.23421739167833 0.91703034665784 0.00740859120468 15.999 24 O 0.76578260832167 0.41703034665784 0.99259140879532 15.999 25 O 0.65558278711676 0.75000000000000 0.06348757201079 15.999 26 O 0.34441721288324 0.25000000000000 0.93651242798921 15.999 27 O 0.15558278711676 0.75000000000000 0.43651242798921 15.999 28 O 0.84441721288324 0.25000000000000 0.56348757201079 15.999 29 Si 0.04235503220349 0.25000000000000 0.12522460092484 28.085 30 Si 0.95764496779651 0.75000000000000 0.87477539907516 28.085 31 Si 0.54235503220349 0.25000000000000 0.37477539907516 28.085 32 Si 0.45764496779651 0.75000000000000 0.62522460092484 28.085 33 Si 0.81707600035134 0.25000000000000 0.87751916603679 28.085 34 Si 0.18292399964866 0.75000000000000 0.12248083396321 28.085 35 Si 0.31707600035134 0.25000000000000 0.62248083396321 28.085 36 Si 0.68292399964866 0.75000000000000 0.37751916603679 28.085 37 Ho 0.62492375730674 0.51148154233279 0.83753196073695 164.930 38 Ho 0.37507624269326 0.01148154233279 0.16246803926306 164.930 39 Ho 0.12492375730675 0.51148154233279 0.66246803926305 164.930 40 Ho 0.87507624269326 0.01148154233279 0.33753196073695 164.930 41 Ho 0.62492375730674 0.98851845766721 0.83753196073695 164.930 42 Ho 0.37507624269326 0.48851845766721 0.16246803926306 164.930 43 Ho 0.12492375730675 0.98851845766721 0.66246803926305 164.930 44 Ho 0.87507624269326 0.48851845766721 0.33753196073695 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.024454400000000 Atomic positions (fractional): 1 O 0.10238769803419 0.25000000000000 0.42222671535599 15.999 > 1 2 O 0.10238769803419 0.25000000000000 0.92222671535599 15.999 > 1 3 O 0.89761230196581 0.75000000000000 0.07777328464401 15.999 > 3 4 O 0.89761230196581 0.75000000000000 0.57777328464401 15.999 > 3 5 O 0.60238769803419 0.25000000000000 0.32777328464401 15.999 > 5 6 O 0.60238769803419 0.25000000000000 0.82777328464401 15.999 > 5 7 O 0.39761230196581 0.75000000000000 0.17222671535599 15.999 > 7 8 O 0.39761230196581 0.75000000000000 0.67222671535599 15.999 > 7 9 O 0.04840988269479 0.42185709060789 0.14650779165135 15.999 > 9 10 O 0.04840988269479 0.42185709060789 0.64650779165135 15.999 > 9 11 O 0.95159011730521 0.92185709060789 0.35349220834865 15.999 > 11 12 O 0.95159011730521 0.92185709060789 0.85349220834865 15.999 > 11 13 O 0.54840988269479 0.42185709060789 0.10349220834865 15.999 > 13 14 O 0.54840988269479 0.42185709060789 0.60349220834865 15.999 > 13 15 O 0.45159011730521 0.92185709060789 0.39650779165135 15.999 > 15 16 O 0.45159011730521 0.92185709060789 0.89650779165135 15.999 > 15 17 O 0.04840988269479 0.07814290939211 0.14650779165135 15.999 > 17 18 O 0.04840988269479 0.07814290939211 0.64650779165135 15.999 > 17 19 O 0.95159011730521 0.57814290939211 0.35349220834865 15.999 > 19 20 O 0.95159011730521 0.57814290939211 0.85349220834865 15.999 > 19 21 O 0.54840988269479 0.07814290939211 0.10349220834865 15.999 > 21 22 O 0.54840988269479 0.07814290939211 0.60349220834865 15.999 > 21 23 O 0.45159011730521 0.57814290939211 0.39650779165135 15.999 > 23 24 O 0.45159011730521 0.57814290939211 0.89650779165135 15.999 > 23 25 O 0.91995458391969 0.25000000000000 0.03199601701312 15.999 > 25 26 O 0.91995458391969 0.25000000000000 0.53199601701312 15.999 > 25 27 O 0.08004541608031 0.75000000000000 0.46800398298688 15.999 > 27 28 O 0.08004541608031 0.75000000000000 0.96800398298688 15.999 > 27 29 O 0.41995458391969 0.25000000000000 0.21800398298688 15.999 > 29 30 O 0.41995458391969 0.25000000000000 0.71800398298688 15.999 > 29 31 O 0.58004541608031 0.75000000000000 0.28199601701312 15.999 > 31 32 O 0.58004541608031 0.75000000000000 0.78199601701312 15.999 > 31 33 O 0.73421739167833 0.58296965334216 0.24629570439766 15.999 > 33 34 O 0.73421739167833 0.58296965334216 0.74629570439766 15.999 > 33 35 O 0.26578260832167 0.08296965334216 0.25370429560234 15.999 > 35 36 O 0.26578260832167 0.08296965334216 0.75370429560234 15.999 > 35 37 O 0.23421739167833 0.58296965334216 0.00370429560234 15.999 > 37 38 O 0.23421739167833 0.58296965334216 0.50370429560234 15.999 > 37 39 O 0.76578260832167 0.08296965334216 0.49629570439766 15.999 > 39 40 O 0.76578260832167 0.08296965334216 0.99629570439766 15.999 > 39 41 O 0.73421739167833 0.91703034665784 0.24629570439766 15.999 > 41 42 O 0.73421739167833 0.91703034665784 0.74629570439766 15.999 > 41 43 O 0.26578260832167 0.41703034665784 0.25370429560234 15.999 > 43 44 O 0.26578260832167 0.41703034665784 0.75370429560234 15.999 > 43 45 O 0.23421739167833 0.91703034665784 0.00370429560234 15.999 > 45 46 O 0.23421739167833 0.91703034665784 0.50370429560234 15.999 > 45 47 O 0.76578260832167 0.41703034665784 0.49629570439766 15.999 > 47 48 O 0.76578260832167 0.41703034665784 0.99629570439766 15.999 > 47 49 O 0.65558278711676 0.75000000000000 0.03174378600539 15.999 > 49 50 O 0.65558278711676 0.75000000000000 0.53174378600539 15.999 > 49 51 O 0.34441721288324 0.25000000000000 0.46825621399460 15.999 > 51 52 O 0.34441721288324 0.25000000000000 0.96825621399460 15.999 > 51 53 O 0.15558278711676 0.75000000000000 0.21825621399460 15.999 > 53 54 O 0.15558278711676 0.75000000000000 0.71825621399460 15.999 > 53 55 O 0.84441721288324 0.25000000000000 0.28174378600540 15.999 > 55 56 O 0.84441721288324 0.25000000000000 0.78174378600540 15.999 > 55 57 Si 0.04235503220349 0.25000000000000 0.06261230046242 28.085 > 57 58 Si 0.04235503220349 0.25000000000000 0.56261230046242 28.085 > 57 59 Si 0.95764496779651 0.75000000000000 0.43738769953758 28.085 > 59 60 Si 0.95764496779651 0.75000000000000 0.93738769953758 28.085 > 59 61 Si 0.54235503220349 0.25000000000000 0.18738769953758 28.085 > 61 62 Si 0.54235503220349 0.25000000000000 0.68738769953758 28.085 > 61 63 Si 0.45764496779651 0.75000000000000 0.31261230046242 28.085 > 63 64 Si 0.45764496779651 0.75000000000000 0.81261230046242 28.085 > 63 65 Si 0.81707600035134 0.25000000000000 0.43875958301839 28.085 > 65 66 Si 0.81707600035134 0.25000000000000 0.93875958301839 28.085 > 65 67 Si 0.18292399964866 0.75000000000000 0.06124041698161 28.085 > 67 68 Si 0.18292399964866 0.75000000000000 0.56124041698161 28.085 > 67 69 Si 0.31707600035134 0.25000000000000 0.31124041698161 28.085 > 69 70 Si 0.31707600035134 0.25000000000000 0.81124041698161 28.085 > 69 71 Si 0.68292399964866 0.75000000000000 0.18875958301839 28.085 > 71 72 Si 0.68292399964866 0.75000000000000 0.68875958301839 28.085 > 71 73 Ho 0.62492375730674 0.51148154233279 0.41876598036847 164.930 > 73 74 Ho 0.62492375730674 0.51148154233279 0.91876598036847 164.930 > 73 75 Ho 0.37507624269326 0.01148154233279 0.08123401963153 164.930 > 75 76 Ho 0.37507624269326 0.01148154233279 0.58123401963153 164.930 > 75 77 Ho 0.12492375730675 0.51148154233279 0.33123401963153 164.930 > 77 78 Ho 0.12492375730675 0.51148154233279 0.83123401963153 164.930 > 77 79 Ho 0.87507624269326 0.01148154233279 0.16876598036847 164.930 > 79 80 Ho 0.87507624269326 0.01148154233279 0.66876598036847 164.930 > 79 81 Ho 0.62492375730674 0.98851845766721 0.41876598036847 164.930 > 81 82 Ho 0.62492375730674 0.98851845766721 0.91876598036847 164.930 > 81 83 Ho 0.37507624269326 0.48851845766721 0.08123401963153 164.930 > 83 84 Ho 0.37507624269326 0.48851845766721 0.58123401963153 164.930 > 83 85 Ho 0.12492375730675 0.98851845766721 0.33123401963153 164.930 > 85 86 Ho 0.12492375730675 0.98851845766721 0.83123401963153 164.930 > 85 87 Ho 0.87507624269326 0.48851845766721 0.16876598036847 164.930 > 87 88 Ho 0.87507624269326 0.48851845766721 0.66876598036847 164.930 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3504807 0.0000000 0.0000000 0.0000000 3.4077884 0.0000000 0.0000000 0.0000000 3.3698015 -------------------------- Born effective charges -------------------------- 1 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 2 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 3 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 4 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 5 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 6 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 7 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 8 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 9 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 10 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 11 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 12 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 13 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 14 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 15 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 16 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 17 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 18 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 19 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 20 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 21 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 22 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 23 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 24 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 25 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 26 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 27 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 28 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 29 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 30 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 31 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 32 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 33 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 34 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 35 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 36 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 37 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 38 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 39 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 40 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 41 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 42 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 43 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 44 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:46:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:46:16]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.012227200000000 Atomic positions (fractional): 1 O 0.10238769803419 0.25000000000000 0.84445343071198 15.999 2 O 0.89761230196581 0.75000000000000 0.15554656928802 15.999 3 O 0.60238769803419 0.25000000000000 0.65554656928802 15.999 4 O 0.39761230196581 0.75000000000000 0.34445343071198 15.999 5 O 0.04840988269479 0.42185709060789 0.29301558330270 15.999 6 O 0.95159011730521 0.92185709060789 0.70698441669730 15.999 7 O 0.54840988269479 0.42185709060789 0.20698441669730 15.999 8 O 0.45159011730521 0.92185709060789 0.79301558330270 15.999 9 O 0.04840988269479 0.07814290939211 0.29301558330270 15.999 10 O 0.95159011730521 0.57814290939211 0.70698441669730 15.999 11 O 0.54840988269479 0.07814290939211 0.20698441669730 15.999 12 O 0.45159011730521 0.57814290939211 0.79301558330270 15.999 13 O 0.91995458391969 0.25000000000000 0.06399203402624 15.999 14 O 0.08004541608031 0.75000000000000 0.93600796597376 15.999 15 O 0.41995458391969 0.25000000000000 0.43600796597376 15.999 16 O 0.58004541608031 0.75000000000000 0.56399203402624 15.999 17 O 0.73421739167833 0.58296965334216 0.49259140879531 15.999 18 O 0.26578260832167 0.08296965334216 0.50740859120468 15.999 19 O 0.23421739167833 0.58296965334216 0.00740859120468 15.999 20 O 0.76578260832167 0.08296965334216 0.99259140879532 15.999 21 O 0.73421739167833 0.91703034665784 0.49259140879531 15.999 22 O 0.26578260832167 0.41703034665784 0.50740859120468 15.999 23 O 0.23421739167833 0.91703034665784 0.00740859120468 15.999 24 O 0.76578260832167 0.41703034665784 0.99259140879532 15.999 25 O 0.65558278711676 0.75000000000000 0.06348757201079 15.999 26 O 0.34441721288324 0.25000000000000 0.93651242798921 15.999 27 O 0.15558278711676 0.75000000000000 0.43651242798921 15.999 28 O 0.84441721288324 0.25000000000000 0.56348757201079 15.999 29 Si 0.04235503220349 0.25000000000000 0.12522460092484 28.085 30 Si 0.95764496779651 0.75000000000000 0.87477539907516 28.085 31 Si 0.54235503220349 0.25000000000000 0.37477539907516 28.085 32 Si 0.45764496779651 0.75000000000000 0.62522460092484 28.085 33 Si 0.81707600035134 0.25000000000000 0.87751916603679 28.085 34 Si 0.18292399964866 0.75000000000000 0.12248083396321 28.085 35 Si 0.31707600035134 0.25000000000000 0.62248083396321 28.085 36 Si 0.68292399964866 0.75000000000000 0.37751916603679 28.085 37 Ho 0.62492375730674 0.51148154233279 0.83753196073695 164.930 38 Ho 0.37507624269326 0.01148154233279 0.16246803926306 164.930 39 Ho 0.12492375730675 0.51148154233279 0.66246803926305 164.930 40 Ho 0.87507624269326 0.01148154233279 0.33753196073695 164.930 41 Ho 0.62492375730674 0.98851845766721 0.83753196073695 164.930 42 Ho 0.37507624269326 0.48851845766721 0.16246803926306 164.930 43 Ho 0.12492375730675 0.98851845766721 0.66246803926305 164.930 44 Ho 0.87507624269326 0.48851845766721 0.33753196073695 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.544582260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.071635230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.024454400000000 Atomic positions (fractional): 1 O 0.10238769803419 0.25000000000000 0.42222671535599 15.999 > 1 2 O 0.10238769803419 0.25000000000000 0.92222671535599 15.999 > 1 3 O 0.89761230196581 0.75000000000000 0.07777328464401 15.999 > 3 4 O 0.89761230196581 0.75000000000000 0.57777328464401 15.999 > 3 5 O 0.60238769803419 0.25000000000000 0.32777328464401 15.999 > 5 6 O 0.60238769803419 0.25000000000000 0.82777328464401 15.999 > 5 7 O 0.39761230196581 0.75000000000000 0.17222671535599 15.999 > 7 8 O 0.39761230196581 0.75000000000000 0.67222671535599 15.999 > 7 9 O 0.04840988269479 0.42185709060789 0.14650779165135 15.999 > 9 10 O 0.04840988269479 0.42185709060789 0.64650779165135 15.999 > 9 11 O 0.95159011730521 0.92185709060789 0.35349220834865 15.999 > 11 12 O 0.95159011730521 0.92185709060789 0.85349220834865 15.999 > 11 13 O 0.54840988269479 0.42185709060789 0.10349220834865 15.999 > 13 14 O 0.54840988269479 0.42185709060789 0.60349220834865 15.999 > 13 15 O 0.45159011730521 0.92185709060789 0.39650779165135 15.999 > 15 16 O 0.45159011730521 0.92185709060789 0.89650779165135 15.999 > 15 17 O 0.04840988269479 0.07814290939211 0.14650779165135 15.999 > 17 18 O 0.04840988269479 0.07814290939211 0.64650779165135 15.999 > 17 19 O 0.95159011730521 0.57814290939211 0.35349220834865 15.999 > 19 20 O 0.95159011730521 0.57814290939211 0.85349220834865 15.999 > 19 21 O 0.54840988269479 0.07814290939211 0.10349220834865 15.999 > 21 22 O 0.54840988269479 0.07814290939211 0.60349220834865 15.999 > 21 23 O 0.45159011730521 0.57814290939211 0.39650779165135 15.999 > 23 24 O 0.45159011730521 0.57814290939211 0.89650779165135 15.999 > 23 25 O 0.91995458391969 0.25000000000000 0.03199601701312 15.999 > 25 26 O 0.91995458391969 0.25000000000000 0.53199601701312 15.999 > 25 27 O 0.08004541608031 0.75000000000000 0.46800398298688 15.999 > 27 28 O 0.08004541608031 0.75000000000000 0.96800398298688 15.999 > 27 29 O 0.41995458391969 0.25000000000000 0.21800398298688 15.999 > 29 30 O 0.41995458391969 0.25000000000000 0.71800398298688 15.999 > 29 31 O 0.58004541608031 0.75000000000000 0.28199601701312 15.999 > 31 32 O 0.58004541608031 0.75000000000000 0.78199601701312 15.999 > 31 33 O 0.73421739167833 0.58296965334216 0.24629570439766 15.999 > 33 34 O 0.73421739167833 0.58296965334216 0.74629570439766 15.999 > 33 35 O 0.26578260832167 0.08296965334216 0.25370429560234 15.999 > 35 36 O 0.26578260832167 0.08296965334216 0.75370429560234 15.999 > 35 37 O 0.23421739167833 0.58296965334216 0.00370429560234 15.999 > 37 38 O 0.23421739167833 0.58296965334216 0.50370429560234 15.999 > 37 39 O 0.76578260832167 0.08296965334216 0.49629570439766 15.999 > 39 40 O 0.76578260832167 0.08296965334216 0.99629570439766 15.999 > 39 41 O 0.73421739167833 0.91703034665784 0.24629570439766 15.999 > 41 42 O 0.73421739167833 0.91703034665784 0.74629570439766 15.999 > 41 43 O 0.26578260832167 0.41703034665784 0.25370429560234 15.999 > 43 44 O 0.26578260832167 0.41703034665784 0.75370429560234 15.999 > 43 45 O 0.23421739167833 0.91703034665784 0.00370429560234 15.999 > 45 46 O 0.23421739167833 0.91703034665784 0.50370429560234 15.999 > 45 47 O 0.76578260832167 0.41703034665784 0.49629570439766 15.999 > 47 48 O 0.76578260832167 0.41703034665784 0.99629570439766 15.999 > 47 49 O 0.65558278711676 0.75000000000000 0.03174378600539 15.999 > 49 50 O 0.65558278711676 0.75000000000000 0.53174378600539 15.999 > 49 51 O 0.34441721288324 0.25000000000000 0.46825621399460 15.999 > 51 52 O 0.34441721288324 0.25000000000000 0.96825621399460 15.999 > 51 53 O 0.15558278711676 0.75000000000000 0.21825621399460 15.999 > 53 54 O 0.15558278711676 0.75000000000000 0.71825621399460 15.999 > 53 55 O 0.84441721288324 0.25000000000000 0.28174378600540 15.999 > 55 56 O 0.84441721288324 0.25000000000000 0.78174378600540 15.999 > 55 57 Si 0.04235503220349 0.25000000000000 0.06261230046242 28.085 > 57 58 Si 0.04235503220349 0.25000000000000 0.56261230046242 28.085 > 57 59 Si 0.95764496779651 0.75000000000000 0.43738769953758 28.085 > 59 60 Si 0.95764496779651 0.75000000000000 0.93738769953758 28.085 > 59 61 Si 0.54235503220349 0.25000000000000 0.18738769953758 28.085 > 61 62 Si 0.54235503220349 0.25000000000000 0.68738769953758 28.085 > 61 63 Si 0.45764496779651 0.75000000000000 0.31261230046242 28.085 > 63 64 Si 0.45764496779651 0.75000000000000 0.81261230046242 28.085 > 63 65 Si 0.81707600035134 0.25000000000000 0.43875958301839 28.085 > 65 66 Si 0.81707600035134 0.25000000000000 0.93875958301839 28.085 > 65 67 Si 0.18292399964866 0.75000000000000 0.06124041698161 28.085 > 67 68 Si 0.18292399964866 0.75000000000000 0.56124041698161 28.085 > 67 69 Si 0.31707600035134 0.25000000000000 0.31124041698161 28.085 > 69 70 Si 0.31707600035134 0.25000000000000 0.81124041698161 28.085 > 69 71 Si 0.68292399964866 0.75000000000000 0.18875958301839 28.085 > 71 72 Si 0.68292399964866 0.75000000000000 0.68875958301839 28.085 > 71 73 Ho 0.62492375730674 0.51148154233279 0.41876598036847 164.930 > 73 74 Ho 0.62492375730674 0.51148154233279 0.91876598036847 164.930 > 73 75 Ho 0.37507624269326 0.01148154233279 0.08123401963153 164.930 > 75 76 Ho 0.37507624269326 0.01148154233279 0.58123401963153 164.930 > 75 77 Ho 0.12492375730675 0.51148154233279 0.33123401963153 164.930 > 77 78 Ho 0.12492375730675 0.51148154233279 0.83123401963153 164.930 > 77 79 Ho 0.87507624269326 0.01148154233279 0.16876598036847 164.930 > 79 80 Ho 0.87507624269326 0.01148154233279 0.66876598036847 164.930 > 79 81 Ho 0.62492375730674 0.98851845766721 0.41876598036847 164.930 > 81 82 Ho 0.62492375730674 0.98851845766721 0.91876598036847 164.930 > 81 83 Ho 0.37507624269326 0.48851845766721 0.08123401963153 164.930 > 83 84 Ho 0.37507624269326 0.48851845766721 0.58123401963153 164.930 > 83 85 Ho 0.12492375730675 0.98851845766721 0.33123401963153 164.930 > 85 86 Ho 0.12492375730675 0.98851845766721 0.83123401963153 164.930 > 85 87 Ho 0.87507624269326 0.48851845766721 0.16876598036847 164.930 > 87 88 Ho 0.87507624269326 0.48851845766721 0.66876598036847 164.930 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3504807 0.0000000 0.0000000 0.0000000 3.4077884 0.0000000 0.0000000 0.0000000 3.3698015 -------------------------- Born effective charges -------------------------- 1 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 2 O -1.4890027 0.0000000 0.6599556 0.0000000 -2.4173449 0.0000000 0.5606038 0.0000000 -2.1741898 3 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 4 O -1.4890027 0.0000000 -0.6599556 0.0000000 -2.4173449 0.0000000 -0.5606038 0.0000000 -2.1741898 5 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 6 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 7 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 8 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 9 O -1.9224325 0.1692017 -0.3318042 0.0053373 -1.9743286 0.6417484 -0.1867035 0.5553394 -2.0888724 10 O -1.9224325 -0.1692017 -0.3318042 -0.0053373 -1.9743286 -0.6417484 -0.1867035 -0.5553394 -2.0888724 11 O -1.9224325 0.1692017 0.3318042 0.0053373 -1.9743286 -0.6417484 0.1867035 -0.5553394 -2.0888724 12 O -1.9224325 -0.1692017 0.3318042 -0.0053373 -1.9743286 0.6417484 0.1867035 0.5553394 -2.0888724 13 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 14 O -2.7260442 0.0000000 -0.4452594 0.0000000 -1.7146837 0.0000000 -0.5544394 0.0000000 -1.7492641 15 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 16 O -2.7260442 0.0000000 0.4452594 0.0000000 -1.7146837 0.0000000 0.5544394 0.0000000 -1.7492641 17 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 18 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 19 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 20 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 21 O -2.3375868 -0.4893842 0.4247268 -0.4890400 -1.9119231 -0.3013660 0.5236785 -0.2324601 -1.7801893 22 O -2.3375868 0.4893842 0.4247268 0.4890400 -1.9119231 0.3013660 0.5236785 0.2324601 -1.7801893 23 O -2.3375868 -0.4893842 -0.4247268 -0.4890400 -1.9119231 0.3013660 -0.5236785 0.2324601 -1.7801893 24 O -2.3375868 0.4893842 -0.4247268 0.4890400 -1.9119231 -0.3013660 -0.5236785 -0.2324601 -1.7801893 25 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 26 O -1.2534528 0.0000000 -0.3940408 0.0000000 -2.3688368 0.0000000 -0.4488439 0.0000000 -2.4996340 27 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 28 O -1.2534528 0.0000000 0.3940408 0.0000000 -2.3688368 0.0000000 0.4488439 0.0000000 -2.4996340 29 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 30 Si 3.0681433 0.0000000 -0.2895889 0.0000000 3.1732469 0.0000000 -0.2643402 0.0000000 3.1814724 31 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 32 Si 3.0681433 0.0000000 0.2895889 0.0000000 3.1732469 0.0000000 0.2643402 0.0000000 3.1814724 33 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 34 Si 3.0661900 0.0000000 -0.0974204 0.0000000 3.1810308 0.0000000 0.1245772 0.0000000 3.3949710 35 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 36 Si 3.0661900 0.0000000 0.0974204 0.0000000 3.1810308 0.0000000 -0.1245772 0.0000000 3.3949710 37 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 38 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 39 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 40 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 41 Ho 3.9271025 -0.0297631 -0.1342701 0.1089747 3.9595456 0.1873320 -0.1034273 -0.0620334 3.7923839 42 Ho 3.9271025 0.0297631 -0.1342701 -0.1089747 3.9595456 -0.1873320 -0.1034273 0.0620334 3.7923839 43 Ho 3.9271025 -0.0297631 0.1342701 0.1089747 3.9595456 -0.1873320 0.1034273 0.0620334 3.7923839 44 Ho 3.9271025 0.0297631 0.1342701 -0.1089747 3.9595456 0.1873320 0.1034273 -0.0620334 3.7923839 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 ... [ 4 6 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.630 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 11.343 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.754 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 13.759 ( 0.000 0.000 0.000) 0.000 13.762 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 13.995 ( 0.000 0.000 0.000) 0.000 14.399 ( 0.000 0.000 0.000) 0.000 14.528 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 15.146 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 0.000) 0.000 15.908 ( 0.000 0.000 0.000) 0.000 15.912 ( 0.000 0.000 0.000) 0.000 16.125 ( 0.000 0.000 0.000) 0.000 16.995 ( 0.000 0.000 0.000) 0.000 17.110 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 18.700 ( 0.000 0.000 0.000) 0.000 19.077 ( 0.000 0.000 0.000) 0.000 24.612 ( 0.000 0.000 0.000) 0.000 24.710 ( 0.000 0.000 0.000) 0.000 24.944 ( 0.000 0.000 0.000) 0.000 25.397 ( 0.000 0.000 0.000) 0.000 26.345 ( 0.000 0.000 0.000) 0.000 26.468 ( 0.000 0.000 0.000) 0.000 26.511 ( 0.000 0.000 0.000) 0.000 26.520 ( 0.000 0.000 0.000) 0.000 27.992 ( 0.000 0.000 0.000) 0.000 28.064 ( 0.000 0.000 0.000) 0.000 28.077 ( 0.000 0.000 0.000) 0.000 28.084 ( 0.000 0.000 0.000) 0.000 28.105 ( 0.000 0.000 0.000) 0.000 28.145 ( 0.000 0.000 0.000) 0.000 28.270 ( 0.000 0.000 0.000) 0.000 28.430 ( 0.000 0.000 0.000) 0.000 28.666 ( 0.000 0.000 0.000) 0.000 28.848 ( 0.000 0.000 0.000) 0.000 28.917 ( 0.000 0.000 0.000) 0.000 28.964 ( 0.000 0.000 0.000) 0.000 29.599 ( 0.000 0.000 0.000) 0.000 29.753 ( 0.000 0.000 0.000) 0.000 29.835 ( 0.000 0.000 0.000) 0.000 29.928 ( 0.000 0.000 0.000) 0.000 30.116 ( 0.000 0.000 0.000) 0.000 30.135 ( 0.000 0.000 0.000) 0.000 30.821 ( 0.000 0.000 0.000) 0.000 30.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 32.383 0.000 0.000) 32.383 0.645 ( 34.164 0.000 0.000) 34.164 0.967 ( 49.350 0.000 0.000) 49.350 1.745 ( -21.532 0.000 0.000) 21.532 1.754 ( -24.144 0.000 0.000) 24.144 2.376 ( 9.440 0.000 0.000) 9.440 2.547 ( -18.430 0.000 0.000) 18.430 2.550 ( 14.096 0.000 0.000) 14.096 2.560 ( -1.852 0.000 0.000) 1.852 2.727 ( 0.628 0.000 0.000) 0.628 2.865 ( -8.082 0.000 0.000) 8.082 3.176 ( -29.165 0.000 0.000) 29.165 3.209 ( 7.340 0.000 0.000) 7.340 3.394 ( -2.867 0.000 0.000) 2.867 3.549 ( -1.308 0.000 0.000) 1.308 3.564 ( -0.697 0.000 0.000) 0.697 3.823 ( 11.178 0.000 0.000) 11.178 4.080 ( 2.994 0.000 0.000) 2.994 4.165 ( 3.644 0.000 0.000) 3.644 4.171 ( -4.882 0.000 0.000) 4.882 4.542 ( 2.696 0.000 0.000) 2.696 4.563 ( 9.357 0.000 0.000) 9.357 4.745 ( -2.579 0.000 0.000) 2.579 4.750 ( -7.400 0.000 0.000) 7.400 4.793 ( 15.360 0.000 0.000) 15.360 5.106 ( 8.120 0.000 0.000) 8.120 5.408 ( -7.709 0.000 0.000) 7.709 5.431 ( -11.195 0.000 0.000) 11.195 5.565 ( 1.407 0.000 0.000) 1.407 5.644 ( 0.324 0.000 0.000) 0.324 5.651 ( 4.336 0.000 0.000) 4.336 5.682 ( -0.910 0.000 0.000) 0.910 5.753 ( -2.176 0.000 0.000) 2.176 5.763 ( -4.220 0.000 0.000) 4.220 5.868 ( -1.317 0.000 0.000) 1.317 5.879 ( -1.074 0.000 0.000) 1.074 6.094 ( 9.242 0.000 0.000) 9.242 6.409 ( -4.926 0.000 0.000) 4.926 6.430 ( 1.996 0.000 0.000) 1.996 6.568 ( -3.994 0.000 0.000) 3.994 6.598 ( 1.506 0.000 0.000) 1.506 6.691 ( -1.314 0.000 0.000) 1.314 7.085 ( 7.731 0.000 0.000) 7.731 7.147 ( 2.956 0.000 0.000) 2.956 7.206 ( 1.118 0.000 0.000) 1.118 7.276 ( -4.990 0.000 0.000) 4.990 7.291 ( -1.979 0.000 0.000) 1.979 7.301 ( 2.898 0.000 0.000) 2.898 7.376 ( -0.321 0.000 0.000) 0.321 7.440 ( -5.297 0.000 0.000) 5.297 7.467 ( 1.471 0.000 0.000) 1.471 7.499 ( 0.478 0.000 0.000) 0.478 7.717 ( 2.818 0.000 0.000) 2.818 7.958 ( -7.929 0.000 0.000) 7.929 8.207 ( 5.388 0.000 0.000) 5.388 8.363 ( -0.471 0.000 0.000) 0.471 8.988 ( 9.009 0.000 0.000) 9.009 9.063 ( 2.936 0.000 0.000) 2.936 9.205 ( 7.578 0.000 0.000) 7.578 9.424 ( -9.352 0.000 0.000) 9.352 9.429 ( -14.117 0.000 0.000) 14.117 9.490 ( -5.588 0.000 0.000) 5.588 10.359 ( 8.633 0.000 0.000) 8.633 10.521 ( -0.776 0.000 0.000) 0.776 10.611 ( 2.400 0.000 0.000) 2.400 10.736 ( 7.677 0.000 0.000) 7.677 10.784 ( -4.029 0.000 0.000) 4.029 11.035 ( -7.078 0.000 0.000) 7.078 11.411 ( 6.899 0.000 0.000) 6.899 11.802 ( -11.275 0.000 0.000) 11.275 11.850 ( -0.664 0.000 0.000) 0.664 12.122 ( -12.335 0.000 0.000) 12.335 12.247 ( 12.223 0.000 0.000) 12.223 12.312 ( 14.156 0.000 0.000) 14.156 12.511 ( 4.203 0.000 0.000) 4.203 12.570 ( 4.827 0.000 0.000) 4.827 12.577 ( 6.113 0.000 0.000) 6.113 12.712 ( -4.450 0.000 0.000) 4.450 12.832 ( -3.980 0.000 0.000) 3.980 13.093 ( -8.089 0.000 0.000) 8.089 13.636 ( -6.188 0.000 0.000) 6.188 13.653 ( -7.415 0.000 0.000) 7.415 13.867 ( 4.747 0.000 0.000) 4.747 13.944 ( 0.715 0.000 0.000) 0.715 14.451 ( 4.750 0.000 0.000) 4.750 14.541 ( 0.753 0.000 0.000) 0.753 14.604 ( 3.509 0.000 0.000) 3.509 14.770 ( -3.484 0.000 0.000) 3.484 15.065 ( 0.580 0.000 0.000) 0.580 15.121 ( -2.137 0.000 0.000) 2.137 15.169 ( 3.271 0.000 0.000) 3.271 15.224 ( 1.487 0.000 0.000) 1.487 15.274 ( -0.410 0.000 0.000) 0.410 15.547 ( -17.452 0.000 0.000) 17.452 16.228 ( 10.419 0.000 0.000) 10.419 16.320 ( 22.641 0.000 0.000) 22.641 16.764 ( -15.651 0.000 0.000) 15.651 17.072 ( -14.834 0.000 0.000) 14.834 17.298 ( 11.151 0.000 0.000) 11.151 17.584 ( -3.974 0.000 0.000) 3.974 18.172 ( 3.336 0.000 0.000) 3.336 18.242 ( -0.522 0.000 0.000) 0.522 18.871 ( 3.766 0.000 0.000) 3.766 19.044 ( -3.468 0.000 0.000) 3.468 24.737 ( 2.906 0.000 0.000) 2.906 24.898 ( -4.296 0.000 0.000) 4.296 25.453 ( 5.356 0.000 0.000) 5.356 25.681 ( -4.858 0.000 0.000) 4.858 26.371 ( 2.439 0.000 0.000) 2.439 26.456 ( -1.323 0.000 0.000) 1.323 26.522 ( 0.205 0.000 0.000) 0.205 26.535 ( -0.314 0.000 0.000) 0.314 28.011 ( 1.994 0.000 0.000) 1.994 28.062 ( -0.143 0.000 0.000) 0.143 28.070 ( -0.545 0.000 0.000) 0.545 28.089 ( 0.502 0.000 0.000) 0.502 28.098 ( -0.927 0.000 0.000) 0.927 28.136 ( -2.357 0.000 0.000) 2.357 28.288 ( 1.805 0.000 0.000) 1.805 28.389 ( -3.265 0.000 0.000) 3.265 28.769 ( 9.925 0.000 0.000) 9.925 28.863 ( 1.447 0.000 0.000) 1.447 28.911 ( -0.682 0.000 0.000) 0.682 29.318 ( -18.493 0.000 0.000) 18.493 29.751 ( -0.125 0.000 0.000) 0.125 29.754 ( -0.385 0.000 0.000) 0.385 29.962 ( 3.381 0.000 0.000) 3.381 30.107 ( -2.897 0.000 0.000) 2.897 30.136 ( 20.403 0.000 0.000) 20.403 30.742 ( -9.714 0.000 0.000) 9.714 30.827 ( 0.618 0.000 0.000) 0.618 30.854 ( -0.548 0.000 0.000) 0.548 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -26.882 0.000 0.000) 26.882 1.173 ( 26.882 0.000 0.000) 26.882 1.246 ( -30.496 0.000 0.000) 30.496 1.246 ( 30.496 0.000 0.000) 30.496 1.945 ( -41.987 0.000 0.000) 41.987 1.945 ( 41.987 0.000 0.000) 41.987 2.502 ( -4.612 0.000 0.000) 4.612 2.502 ( 4.612 0.000 0.000) 4.612 2.760 ( -3.364 0.000 0.000) 3.364 2.760 ( 3.364 0.000 0.000) 3.364 2.801 ( -14.102 0.000 0.000) 14.102 2.801 ( 14.102 0.000 0.000) 14.102 3.321 ( -4.960 0.000 0.000) 4.960 3.321 ( 4.960 0.000 0.000) 4.960 3.548 ( -0.744 0.000 0.000) 0.744 3.548 ( 0.744 0.000 0.000) 0.744 4.030 ( -10.137 0.000 0.000) 10.137 4.030 ( 10.137 0.000 0.000) 10.137 4.145 ( -3.434 0.000 0.000) 3.434 4.145 ( 3.434 0.000 0.000) 3.434 4.623 ( -5.951 0.000 0.000) 5.951 4.623 ( 5.951 0.000 0.000) 5.951 4.679 ( -4.512 0.000 0.000) 4.512 4.679 ( 4.512 0.000 0.000) 4.512 5.151 ( -18.958 0.000 0.000) 18.958 5.151 ( 18.958 0.000 0.000) 18.958 5.259 ( -8.318 0.000 0.000) 8.318 5.259 ( 8.318 0.000 0.000) 8.318 5.604 ( -2.743 0.000 0.000) 2.743 5.604 ( 2.743 0.000 0.000) 2.743 5.704 ( -2.205 0.000 0.000) 2.205 5.704 ( 2.205 0.000 0.000) 2.205 5.711 ( -2.390 0.000 0.000) 2.390 5.711 ( 2.390 0.000 0.000) 2.390 5.859 ( -0.604 0.000 0.000) 0.604 5.859 ( 0.604 0.000 0.000) 0.604 6.272 ( -9.302 0.000 0.000) 9.302 6.272 ( 9.302 0.000 0.000) 9.302 6.486 ( -4.047 0.000 0.000) 4.047 6.486 ( 4.047 0.000 0.000) 4.047 6.648 ( -3.085 0.000 0.000) 3.085 6.648 ( 3.085 0.000 0.000) 3.085 7.193 ( -4.108 0.000 0.000) 4.108 7.193 ( 4.108 0.000 0.000) 4.108 7.246 ( -2.722 0.000 0.000) 2.722 7.246 ( 2.722 0.000 0.000) 2.722 7.281 ( -10.155 0.000 0.000) 10.155 7.281 ( 10.155 0.000 0.000) 10.155 7.352 ( -2.244 0.000 0.000) 2.244 7.352 ( 2.244 0.000 0.000) 2.244 7.497 ( -1.269 0.000 0.000) 1.269 7.497 ( 1.269 0.000 0.000) 1.269 7.808 ( -7.069 0.000 0.000) 7.069 7.808 ( 7.069 0.000 0.000) 7.069 8.314 ( -4.969 0.000 0.000) 4.969 8.314 ( 4.969 0.000 0.000) 4.969 9.185 ( -10.653 0.000 0.000) 10.653 9.185 ( 10.653 0.000 0.000) 10.653 9.205 ( -13.167 0.000 0.000) 13.167 9.205 ( 13.167 0.000 0.000) 13.167 9.358 ( -8.215 0.000 0.000) 8.215 9.358 ( 8.215 0.000 0.000) 8.215 10.481 ( -4.111 0.000 0.000) 4.111 10.481 ( 4.111 0.000 0.000) 4.111 10.690 ( -5.453 0.000 0.000) 5.453 10.690 ( 5.453 0.000 0.000) 5.453 10.888 ( -8.399 0.000 0.000) 8.399 10.888 ( 8.399 0.000 0.000) 8.399 11.583 ( -11.301 0.000 0.000) 11.301 11.583 ( 11.301 0.000 0.000) 11.301 11.922 ( -8.193 0.000 0.000) 8.193 11.922 ( 8.193 0.000 0.000) 8.193 12.498 ( -12.806 0.000 0.000) 12.806 12.498 ( 12.806 0.000 0.000) 12.806 12.542 ( -8.325 0.000 0.000) 8.325 12.542 ( 8.325 0.000 0.000) 8.325 12.609 ( -5.839 0.000 0.000) 5.839 12.609 ( 5.839 0.000 0.000) 5.839 12.910 ( -10.259 0.000 0.000) 10.259 12.910 ( 10.259 0.000 0.000) 10.259 13.569 ( -0.164 0.000 0.000) 0.164 13.569 ( 0.164 0.000 0.000) 0.164 13.931 ( -2.130 0.000 0.000) 2.130 13.931 ( 2.130 0.000 0.000) 2.130 14.528 ( -2.638 0.000 0.000) 2.638 14.528 ( 2.638 0.000 0.000) 2.638 14.688 ( -4.989 0.000 0.000) 4.989 14.688 ( 4.989 0.000 0.000) 4.989 15.085 ( -1.585 0.000 0.000) 1.585 15.085 ( 1.585 0.000 0.000) 1.585 15.255 ( -1.551 0.000 0.000) 1.551 15.255 ( 1.551 0.000 0.000) 1.551 15.287 ( -10.173 0.000 0.000) 10.173 15.287 ( 10.173 0.000 0.000) 10.173 16.473 ( -15.272 0.000 0.000) 15.272 16.473 ( 15.272 0.000 0.000) 15.272 16.729 ( -21.140 0.000 0.000) 21.140 16.729 ( 21.140 0.000 0.000) 21.140 17.475 ( -7.823 0.000 0.000) 7.823 17.475 ( 7.823 0.000 0.000) 7.823 18.222 ( -1.821 0.000 0.000) 1.821 18.222 ( 1.821 0.000 0.000) 1.821 18.959 ( -5.238 0.000 0.000) 5.238 18.959 ( 5.238 0.000 0.000) 5.238 24.810 ( -4.738 0.000 0.000) 4.738 24.810 ( 4.738 0.000 0.000) 4.738 25.569 ( -6.710 0.000 0.000) 6.710 25.569 ( 6.710 0.000 0.000) 6.710 26.420 ( -2.540 0.000 0.000) 2.540 26.420 ( 2.540 0.000 0.000) 2.540 26.528 ( -0.405 0.000 0.000) 0.405 26.528 ( 0.405 0.000 0.000) 0.405 28.060 ( -2.964 0.000 0.000) 2.964 28.060 ( 2.964 0.000 0.000) 2.964 28.062 ( -0.244 0.000 0.000) 0.244 28.062 ( 0.244 0.000 0.000) 0.244 28.103 ( -1.031 0.000 0.000) 1.031 28.103 ( 1.031 0.000 0.000) 1.031 28.331 ( -2.817 0.000 0.000) 2.817 28.331 ( 2.817 0.000 0.000) 2.817 28.892 ( -1.405 0.000 0.000) 1.405 28.892 ( 1.405 0.000 0.000) 1.405 29.004 ( -15.164 0.000 0.000) 15.164 29.004 ( 15.164 0.000 0.000) 15.164 29.750 ( -0.061 0.000 0.000) 0.061 29.750 ( 0.061 0.000 0.000) 0.061 30.037 ( -4.317 0.000 0.000) 4.317 30.037 ( 4.317 0.000 0.000) 4.317 30.489 ( -17.093 0.000 0.000) 17.093 30.489 ( 17.093 0.000 0.000) 17.093 30.841 ( -0.819 0.000 0.000) 0.819 30.841 ( 0.819 0.000 0.000) 0.819 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 31.437 0.000) 31.437 0.769 ( 0.000 36.931 0.000) 36.931 1.174 ( 0.000 53.891 0.000) 53.891 2.063 ( 0.000 5.995 0.000) 5.995 2.143 ( 0.000 3.241 0.000) 3.241 2.249 ( 0.000 5.266 0.000) 5.266 2.433 ( 0.000 8.761 0.000) 8.761 2.627 ( 0.000 -9.299 0.000) 9.299 2.684 ( 0.000 7.946 0.000) 7.946 2.708 ( 0.000 1.987 0.000) 1.987 2.960 ( 0.000 -6.295 0.000) 6.295 3.016 ( 0.000 -3.125 0.000) 3.125 3.313 ( 0.000 -10.758 0.000) 10.758 3.554 ( 0.000 -1.521 0.000) 1.521 3.564 ( 0.000 -1.217 0.000) 1.217 3.615 ( 0.000 -5.234 0.000) 5.234 3.687 ( 0.000 2.361 0.000) 2.361 4.015 ( 0.000 2.527 0.000) 2.527 4.055 ( 0.000 0.573 0.000) 0.573 4.212 ( 0.000 -0.149 0.000) 0.149 4.491 ( 0.000 5.511 0.000) 5.511 4.547 ( 0.000 3.007 0.000) 3.007 4.636 ( 0.000 -2.596 0.000) 2.596 4.733 ( 0.000 -3.541 0.000) 3.541 4.903 ( 0.000 3.723 0.000) 3.723 5.020 ( 0.000 2.641 0.000) 2.641 5.211 ( 0.000 -17.472 0.000) 17.472 5.436 ( 0.000 -10.287 0.000) 10.287 5.463 ( 0.000 -12.505 0.000) 12.505 5.549 ( 0.000 1.297 0.000) 1.297 5.617 ( 0.000 1.299 0.000) 1.299 5.720 ( 0.000 1.927 0.000) 1.927 5.731 ( 0.000 2.757 0.000) 2.757 5.802 ( 0.000 10.374 0.000) 10.374 5.863 ( 0.000 -2.793 0.000) 2.793 5.951 ( 0.000 -2.859 0.000) 2.859 6.082 ( 0.000 11.949 0.000) 11.949 6.228 ( 0.000 -9.154 0.000) 9.154 6.400 ( 0.000 -0.923 0.000) 0.923 6.452 ( 0.000 -0.771 0.000) 0.771 6.593 ( 0.000 -0.780 0.000) 0.780 6.659 ( 0.000 -3.380 0.000) 3.380 6.858 ( 0.000 -1.685 0.000) 1.685 6.900 ( 0.000 -14.997 0.000) 14.997 7.028 ( 0.000 0.887 0.000) 0.887 7.156 ( 0.000 2.729 0.000) 2.729 7.209 ( 0.000 -4.787 0.000) 4.787 7.402 ( 0.000 4.770 0.000) 4.770 7.409 ( 0.000 2.137 0.000) 2.137 7.565 ( 0.000 6.028 0.000) 6.028 7.575 ( 0.000 -2.961 0.000) 2.961 7.792 ( 0.000 -7.855 0.000) 7.855 7.949 ( 0.000 25.949 0.000) 25.949 8.330 ( 0.000 12.404 0.000) 12.404 8.444 ( 0.000 7.176 0.000) 7.176 8.936 ( 0.000 6.136 0.000) 6.136 9.039 ( 0.000 -0.150 0.000) 0.150 9.072 ( 0.000 -4.714 0.000) 4.714 9.137 ( 0.000 -0.942 0.000) 0.942 9.516 ( 0.000 0.174 0.000) 0.174 9.537 ( 0.000 -0.836 0.000) 0.836 9.566 ( 0.000 -3.086 0.000) 3.086 10.178 ( 0.000 -9.514 0.000) 9.514 10.266 ( 0.000 -15.202 0.000) 15.202 10.597 ( 0.000 -2.514 0.000) 2.514 10.796 ( 0.000 5.733 0.000) 5.733 10.871 ( 0.000 4.168 0.000) 4.168 11.068 ( 0.000 -0.534 0.000) 0.534 11.401 ( 0.000 5.447 0.000) 5.447 11.726 ( 0.000 -10.979 0.000) 10.979 11.980 ( 0.000 -4.900 0.000) 4.900 11.992 ( 0.000 0.564 0.000) 0.564 12.192 ( 0.000 2.848 0.000) 2.848 12.196 ( 0.000 6.617 0.000) 6.617 12.308 ( 0.000 -5.685 0.000) 5.685 12.466 ( 0.000 5.604 0.000) 5.604 12.669 ( 0.000 9.338 0.000) 9.338 12.815 ( 0.000 9.005 0.000) 9.005 12.870 ( 0.000 -1.657 0.000) 1.657 13.026 ( 0.000 -11.508 0.000) 11.508 13.810 ( 0.000 4.966 0.000) 4.966 13.831 ( 0.000 4.575 0.000) 4.575 13.876 ( 0.000 -4.130 0.000) 4.130 14.020 ( 0.000 2.939 0.000) 2.939 14.324 ( 0.000 -6.253 0.000) 6.253 14.388 ( 0.000 -1.751 0.000) 1.751 14.500 ( 0.000 -4.970 0.000) 4.970 14.531 ( 0.000 0.324 0.000) 0.324 15.101 ( 0.000 -4.243 0.000) 4.243 15.119 ( 0.000 5.371 0.000) 5.371 15.180 ( 0.000 3.191 0.000) 3.191 15.345 ( 0.000 5.324 0.000) 5.324 15.368 ( 0.000 -0.028 0.000) 0.028 15.596 ( 0.000 -17.582 0.000) 17.582 15.617 ( 0.000 -1.761 0.000) 1.761 15.838 ( 0.000 -6.216 0.000) 6.216 16.490 ( 0.000 22.203 0.000) 22.203 17.123 ( 0.000 1.341 0.000) 1.341 17.634 ( 0.000 0.056 0.000) 0.056 17.690 ( 0.000 -9.896 0.000) 9.896 18.233 ( 0.000 7.342 0.000) 7.342 18.248 ( 0.000 0.969 0.000) 0.969 18.679 ( 0.000 -2.022 0.000) 2.022 18.993 ( 0.000 -7.735 0.000) 7.735 24.618 ( 0.000 0.570 0.000) 0.570 24.703 ( 0.000 -0.662 0.000) 0.662 24.929 ( 0.000 -1.178 0.000) 1.178 25.294 ( 0.000 -8.811 0.000) 8.811 26.362 ( 0.000 1.607 0.000) 1.607 26.432 ( 0.000 -2.468 0.000) 2.468 26.490 ( 0.000 -2.528 0.000) 2.528 26.506 ( 0.000 -0.502 0.000) 0.502 27.966 ( 0.000 -5.606 0.000) 5.606 27.976 ( 0.000 -1.368 0.000) 1.368 28.090 ( 0.000 -0.952 0.000) 0.952 28.139 ( 0.000 -0.600 0.000) 0.600 28.244 ( 0.000 13.712 0.000) 13.712 28.349 ( 0.000 4.030 0.000) 4.030 28.468 ( 0.000 12.326 0.000) 12.326 28.649 ( 0.000 -1.555 0.000) 1.555 28.857 ( 0.000 0.897 0.000) 0.897 28.956 ( 0.000 3.739 0.000) 3.739 28.960 ( 0.000 -0.374 0.000) 0.374 29.535 ( 0.000 -5.430 0.000) 5.430 29.751 ( 0.000 -0.760 0.000) 0.760 29.809 ( 0.000 -2.304 0.000) 2.304 29.932 ( 0.000 0.399 0.000) 0.399 30.091 ( 0.000 -2.261 0.000) 2.261 30.186 ( 0.000 4.856 0.000) 4.856 30.780 ( 0.000 -3.912 0.000) 3.912 30.845 ( 0.000 1.131 0.000) 1.131 31.072 ( 0.000 -2.375 0.000) 2.375 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 21.705 20.998 0.000) 30.200 0.966 ( 18.805 27.816 0.000) 33.577 1.494 ( 24.861 36.634 0.000) 44.273 1.813 ( -23.445 5.188 0.000) 24.012 1.854 ( -13.846 12.091 0.000) 18.383 2.436 ( 6.582 3.875 0.000) 7.637 2.592 ( 10.926 5.872 0.000) 12.404 2.628 ( -8.443 6.068 0.000) 10.397 2.639 ( 1.733 -7.963 0.000) 8.149 2.678 ( 0.116 7.649 0.000) 7.650 2.828 ( -8.363 -2.891 0.000) 8.848 3.081 ( -0.418 -5.880 0.000) 5.895 3.281 ( -2.704 -10.460 0.000) 10.804 3.315 ( -22.056 6.770 0.000) 23.072 3.508 ( -1.470 -3.372 0.000) 3.678 3.542 ( -1.317 -1.927 0.000) 2.334 3.788 ( 12.198 -2.090 0.000) 12.376 4.066 ( 1.746 -0.504 0.000) 1.818 4.138 ( 2.542 -2.674 0.000) 3.689 4.162 ( -5.445 -0.512 0.000) 5.469 4.550 ( 5.122 -0.887 0.000) 5.198 4.575 ( 3.106 3.298 0.000) 4.530 4.710 ( -2.447 -3.442 0.000) 4.223 4.741 ( 5.881 -0.230 0.000) 5.885 4.821 ( -0.958 1.718 0.000) 1.968 5.147 ( -6.405 -15.344 0.000) 16.627 5.160 ( 11.329 5.309 0.000) 12.511 5.447 ( 1.012 -12.234 0.000) 12.275 5.460 ( -0.205 -12.946 0.000) 12.948 5.578 ( -5.832 4.156 0.000) 7.161 5.624 ( 0.825 2.439 0.000) 2.574 5.689 ( -1.147 1.614 0.000) 1.980 5.764 ( 2.598 7.061 0.000) 7.523 5.817 ( 2.717 -1.037 0.000) 2.909 5.843 ( -2.305 -1.215 0.000) 2.606 5.937 ( -1.835 1.720 0.000) 2.515 6.116 ( 4.426 3.016 0.000) 5.355 6.294 ( 1.592 -11.724 0.000) 11.832 6.423 ( 1.835 -0.559 0.000) 1.918 6.434 ( -0.265 -2.386 0.000) 2.401 6.591 ( 1.244 -0.031 0.000) 1.244 6.658 ( -0.456 -2.694 0.000) 2.732 6.940 ( 4.544 -13.299 0.000) 14.054 6.955 ( 7.887 -5.588 0.000) 9.666 7.098 ( 5.674 -0.985 0.000) 5.759 7.163 ( 0.723 1.264 0.000) 1.456 7.240 ( 4.377 -2.358 0.000) 4.971 7.263 ( -10.486 0.034 0.000) 10.486 7.407 ( -3.668 2.495 0.000) 4.436 7.516 ( -5.473 5.026 0.000) 7.430 7.599 ( 2.590 -2.766 0.000) 3.790 7.751 ( -3.958 -4.622 0.000) 6.086 7.977 ( 3.278 26.494 0.000) 26.696 8.341 ( -2.326 14.812 0.000) 14.994 8.460 ( 0.991 8.195 0.000) 8.255 8.532 ( -28.199 25.852 0.000) 38.255 9.039 ( 6.198 4.728 0.000) 7.795 9.047 ( 1.561 -1.278 0.000) 2.017 9.144 ( 5.427 -5.316 0.000) 7.597 9.426 ( -8.865 0.007 0.000) 8.865 9.433 ( -10.361 -0.220 0.000) 10.363 9.486 ( -5.208 -0.192 0.000) 5.211 10.254 ( 5.663 -10.808 0.000) 12.201 10.294 ( 2.404 -14.300 0.000) 14.501 10.643 ( 4.252 -1.933 0.000) 4.671 10.819 ( 2.737 4.621 0.000) 5.371 10.819 ( -4.403 2.721 0.000) 5.176 11.014 ( -5.306 -0.226 0.000) 5.310 11.373 ( 3.947 0.738 0.000) 4.015 11.657 ( -6.814 -8.057 0.000) 10.552 11.928 ( -0.694 5.901 0.000) 5.942 12.179 ( -11.255 1.798 0.000) 11.397 12.193 ( 11.409 -4.510 0.000) 12.268 12.372 ( 13.331 1.443 0.000) 13.409 12.463 ( 16.995 -0.315 0.000) 16.998 12.477 ( 1.430 -3.092 0.000) 3.407 12.715 ( -1.049 2.332 0.000) 2.557 12.764 ( -5.475 5.417 0.000) 7.702 12.868 ( 1.923 6.929 0.000) 7.191 12.977 ( -4.546 -9.147 0.000) 10.214 13.690 ( -7.141 2.728 0.000) 7.645 13.770 ( -9.427 9.791 0.000) 13.591 13.888 ( 1.338 1.942 0.000) 2.358 13.934 ( 1.949 -0.120 0.000) 1.953 14.413 ( 2.419 -3.371 0.000) 4.149 14.479 ( -1.203 -5.728 0.000) 5.853 14.581 ( 3.833 -0.622 0.000) 3.883 14.587 ( 9.503 -13.495 0.000) 16.505 15.080 ( -3.064 1.187 0.000) 3.286 15.083 ( -1.556 -4.486 0.000) 4.748 15.171 ( 2.491 5.757 0.000) 6.273 15.331 ( -1.844 4.939 0.000) 5.272 15.337 ( 0.594 4.400 0.000) 4.439 15.512 ( -8.599 -3.769 0.000) 9.389 15.878 ( 6.023 -17.310 0.000) 18.328 15.966 ( 14.834 -28.882 0.000) 32.469 16.665 ( 15.832 18.058 0.000) 24.015 17.112 ( -1.895 2.291 0.000) 2.973 17.616 ( -1.830 1.492 0.000) 2.361 17.654 ( -5.446 2.672 0.000) 6.066 18.164 ( -1.167 4.394 0.000) 4.547 18.235 ( -1.307 0.364 0.000) 1.357 18.744 ( 5.267 -6.528 0.000) 8.388 18.953 ( -4.128 -8.091 0.000) 9.083 24.729 ( 3.006 -0.736 0.000) 3.095 24.887 ( -3.986 -0.860 0.000) 4.078 24.983 ( 23.880 -22.991 0.000) 33.149 25.305 ( 0.316 -11.942 0.000) 11.946 26.361 ( 0.233 1.120 0.000) 1.144 26.414 ( -1.672 -2.397 0.000) 2.923 26.498 ( 0.694 -2.050 0.000) 2.164 26.510 ( 0.248 -0.971 0.000) 1.002 27.975 ( 1.054 -4.687 0.000) 4.805 27.996 ( 2.143 -1.332 0.000) 2.523 28.061 ( -2.771 -1.394 0.000) 3.102 28.111 ( -2.769 -0.747 0.000) 2.868 28.256 ( 1.178 12.693 0.000) 12.748 28.325 ( -2.107 6.155 0.000) 6.505 28.484 ( 1.810 12.699 0.000) 12.828 28.645 ( -3.829 3.142 0.000) 4.953 28.836 ( 1.502 3.488 0.000) 3.797 28.940 ( 0.804 6.098 0.000) 6.151 28.950 ( -0.724 3.666 0.000) 3.737 29.297 ( -16.552 -2.009 0.000) 16.674 29.746 ( 1.504 -0.246 0.000) 1.524 29.926 ( -6.966 5.613 0.000) 8.946 29.983 ( -0.194 3.045 0.000) 3.051 30.041 ( 9.137 -4.148 0.000) 10.035 30.214 ( 7.732 5.356 0.000) 9.406 30.742 ( -10.435 0.837 0.000) 10.469 30.786 ( 0.733 -3.874 0.000) 3.943 30.905 ( -8.498 1.633 0.000) 8.653 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -25.696 9.079 0.000) 27.252 1.336 ( 25.696 9.079 0.000) 27.252 1.369 ( -21.038 17.543 0.000) 27.392 1.369 ( 21.038 17.543 0.000) 27.392 2.176 ( -29.818 18.918 0.000) 35.312 2.176 ( 29.818 18.918 0.000) 35.312 2.612 ( -3.505 6.126 0.000) 7.058 2.612 ( 3.505 6.126 0.000) 7.058 2.701 ( -4.967 -3.595 0.000) 6.131 2.701 ( 4.967 -3.595 0.000) 6.131 2.849 ( -14.476 5.460 0.000) 15.471 2.849 ( 14.476 5.460 0.000) 15.471 3.226 ( -2.926 -8.928 0.000) 9.395 3.226 ( 2.926 -8.928 0.000) 9.395 3.513 ( -1.412 -2.972 0.000) 3.290 3.513 ( 1.412 -2.972 0.000) 3.290 4.007 ( -10.528 -1.592 0.000) 10.647 4.007 ( 10.528 -1.592 0.000) 10.647 4.119 ( -2.787 -1.768 0.000) 3.300 4.119 ( 2.787 -1.768 0.000) 3.300 4.635 ( -2.302 -1.873 0.000) 2.968 4.635 ( 2.302 -1.873 0.000) 2.968 4.670 ( -3.782 2.148 0.000) 4.350 4.670 ( 3.782 2.148 0.000) 4.350 4.992 ( -10.254 -10.109 0.000) 14.399 4.992 ( 10.254 -10.109 0.000) 14.399 5.392 ( -12.590 7.891 0.000) 14.859 5.392 ( 12.590 7.891 0.000) 14.859 5.458 ( -0.165 -13.331 0.000) 13.332 5.458 ( 0.165 -13.331 0.000) 13.332 5.652 ( -2.207 3.760 0.000) 4.360 5.652 ( 2.207 3.760 0.000) 4.360 5.795 ( -2.117 1.703 0.000) 2.716 5.795 ( 2.117 1.703 0.000) 2.716 5.889 ( -3.446 1.332 0.000) 3.694 5.889 ( 3.446 1.332 0.000) 3.694 6.225 ( -6.302 -4.523 0.000) 7.757 6.225 ( 6.302 -4.523 0.000) 7.757 6.446 ( -0.193 -3.214 0.000) 3.220 6.446 ( 0.193 -3.214 0.000) 3.220 6.632 ( -2.297 -1.297 0.000) 2.638 6.632 ( 2.297 -1.297 0.000) 2.638 7.070 ( -9.292 -6.938 0.000) 11.597 7.070 ( 9.292 -6.938 0.000) 11.597 7.081 ( -5.017 -6.776 0.000) 8.431 7.081 ( 5.017 -6.776 0.000) 8.431 7.285 ( -8.771 2.065 0.000) 9.011 7.285 ( 8.771 2.065 0.000) 9.011 7.371 ( -8.962 1.937 0.000) 9.169 7.371 ( 8.962 1.937 0.000) 9.169 7.667 ( -4.576 -2.688 0.000) 5.307 7.667 ( 4.576 -2.688 0.000) 5.307 8.094 ( -10.732 28.175 0.000) 30.150 8.094 ( 10.732 28.175 0.000) 30.150 8.450 ( -2.227 10.858 0.000) 11.084 8.450 ( 2.227 10.858 0.000) 11.084 9.119 ( -5.022 -4.223 0.000) 6.562 9.119 ( 5.022 -4.223 0.000) 6.562 9.231 ( -10.376 0.759 0.000) 10.404 9.231 ( 10.376 0.759 0.000) 10.404 9.377 ( -5.039 1.549 0.000) 5.272 9.377 ( 5.039 1.549 0.000) 5.272 10.318 ( -0.739 -13.033 0.000) 13.054 10.318 ( 0.739 -13.033 0.000) 13.054 10.729 ( -4.915 0.356 0.000) 4.928 10.729 ( 4.915 0.356 0.000) 4.928 10.902 ( -5.978 1.861 0.000) 6.261 10.902 ( 5.978 1.861 0.000) 6.261 11.506 ( -8.748 -3.445 0.000) 9.402 11.506 ( 8.748 -3.445 0.000) 9.402 11.990 ( -7.649 5.014 0.000) 9.146 11.990 ( 7.649 5.014 0.000) 9.146 12.416 ( -9.690 -5.733 0.000) 11.259 12.416 ( 9.690 -5.733 0.000) 11.259 12.588 ( -9.899 1.531 0.000) 10.016 12.588 ( 9.899 1.531 0.000) 10.016 12.673 ( -6.190 3.641 0.000) 7.182 12.673 ( 6.190 3.641 0.000) 7.182 12.905 ( -2.174 0.723 0.000) 2.291 12.905 ( 2.174 0.723 0.000) 2.291 13.642 ( -2.920 6.680 0.000) 7.290 13.642 ( 2.920 6.680 0.000) 7.290 13.931 ( -1.874 0.672 0.000) 1.991 13.931 ( 1.874 0.672 0.000) 1.991 14.454 ( -1.747 -6.209 0.000) 6.450 14.454 ( 1.747 -6.209 0.000) 6.450 14.641 ( -1.669 -4.163 0.000) 4.485 14.641 ( 1.669 -4.163 0.000) 4.485 15.060 ( -0.563 -3.849 0.000) 3.890 15.060 ( 0.563 -3.849 0.000) 3.890 15.258 ( -5.925 5.391 0.000) 8.010 15.258 ( 5.925 5.391 0.000) 8.010 15.377 ( -4.210 3.994 0.000) 5.804 15.377 ( 4.210 3.994 0.000) 5.804 16.011 ( -5.844 -26.191 0.000) 26.835 16.011 ( 5.844 -26.191 0.000) 26.835 16.967 ( -14.319 10.317 0.000) 17.649 16.967 ( 14.319 10.317 0.000) 17.649 17.586 ( -0.116 5.920 0.000) 5.921 17.586 ( 0.116 5.920 0.000) 5.921 18.198 ( -2.699 -0.422 0.000) 2.731 18.198 ( 2.699 -0.422 0.000) 2.731 18.853 ( -6.201 -8.417 0.000) 10.454 18.853 ( 6.201 -8.417 0.000) 10.454 24.803 ( -4.669 -0.607 0.000) 4.708 24.803 ( 4.669 -0.607 0.000) 4.708 25.260 ( -6.859 -20.360 0.000) 21.485 25.260 ( 6.859 -20.360 0.000) 21.485 26.380 ( -1.718 -1.038 0.000) 2.008 26.380 ( 1.718 -1.038 0.000) 2.008 26.509 ( -0.373 -1.470 0.000) 1.516 26.509 ( 0.373 -1.470 0.000) 1.516 28.008 ( -2.517 -2.796 0.000) 3.762 28.008 ( 2.517 -2.796 0.000) 3.762 28.050 ( -3.445 -1.083 0.000) 3.611 28.050 ( 3.445 -1.083 0.000) 3.611 28.285 ( -1.968 9.938 0.000) 10.131 28.285 ( 1.968 9.938 0.000) 10.131 28.542 ( -4.732 12.603 0.000) 13.462 28.542 ( 4.732 12.603 0.000) 13.462 28.921 ( -3.168 2.183 0.000) 3.847 28.921 ( 3.168 2.183 0.000) 3.847 29.030 ( -10.838 2.724 0.000) 11.175 29.030 ( 10.838 2.724 0.000) 11.175 29.800 ( -4.645 4.424 0.000) 6.415 29.800 ( 4.645 4.424 0.000) 6.415 30.042 ( -3.622 0.243 0.000) 3.630 30.042 ( 3.622 0.243 0.000) 3.630 30.491 ( -16.307 0.566 0.000) 16.317 30.491 ( 16.307 0.566 0.000) 16.317 30.813 ( -2.532 -2.701 0.000) 3.702 30.813 ( 2.532 -2.701 0.000) 3.702 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 30.164 0.000) 30.164 1.511 ( 0.000 34.403 0.000) 34.403 2.129 ( 0.000 34.825 0.000) 34.825 2.182 ( 0.000 0.565 0.000) 0.565 2.274 ( 0.000 14.057 0.000) 14.057 2.296 ( 0.000 -1.209 0.000) 1.209 2.335 ( 0.000 -17.597 0.000) 17.597 2.689 ( 0.000 -14.911 0.000) 14.911 2.738 ( 0.000 20.500 0.000) 20.500 2.780 ( 0.000 -0.888 0.000) 0.888 2.807 ( 0.000 1.647 0.000) 1.647 2.977 ( 0.000 -1.641 0.000) 1.641 3.017 ( 0.000 -16.177 0.000) 16.177 3.501 ( 0.000 -4.662 0.000) 4.662 3.552 ( 0.000 1.084 0.000) 1.084 3.604 ( 0.000 5.431 0.000) 5.431 3.728 ( 0.000 0.877 0.000) 0.877 3.973 ( 0.000 -6.361 0.000) 6.361 4.083 ( 0.000 2.567 0.000) 2.567 4.219 ( 0.000 0.895 0.000) 0.895 4.609 ( 0.000 0.862 0.000) 0.862 4.612 ( 0.000 -1.309 0.000) 1.309 4.625 ( 0.000 -6.571 0.000) 6.571 4.641 ( 0.000 6.465 0.000) 6.465 4.864 ( 0.000 -9.645 0.000) 9.645 4.966 ( 0.000 1.929 0.000) 1.929 5.095 ( 0.000 -0.988 0.000) 0.988 5.203 ( 0.000 -12.060 0.000) 12.060 5.256 ( 0.000 0.346 0.000) 0.346 5.589 ( 0.000 2.568 0.000) 2.568 5.697 ( 0.000 5.071 0.000) 5.071 5.731 ( 0.000 -2.517 0.000) 2.517 5.746 ( 0.000 -9.321 0.000) 9.321 5.780 ( 0.000 4.074 0.000) 4.074 5.880 ( 0.000 -3.530 0.000) 3.530 6.015 ( 0.000 10.156 0.000) 10.156 6.037 ( 0.000 -8.421 0.000) 8.421 6.278 ( 0.000 6.640 0.000) 6.640 6.382 ( 0.000 -0.802 0.000) 0.802 6.382 ( 0.000 -6.194 0.000) 6.194 6.589 ( 0.000 -2.845 0.000) 2.845 6.613 ( 0.000 3.214 0.000) 3.214 6.652 ( 0.000 -8.322 0.000) 8.322 6.802 ( 0.000 -3.810 0.000) 3.810 7.056 ( 0.000 1.275 0.000) 1.275 7.112 ( 0.000 -3.567 0.000) 3.567 7.217 ( 0.000 3.029 0.000) 3.029 7.449 ( 0.000 -7.786 0.000) 7.786 7.455 ( 0.000 2.607 0.000) 2.607 7.519 ( 0.000 5.405 0.000) 5.405 7.652 ( 0.000 -5.010 0.000) 5.010 7.674 ( 0.000 2.853 0.000) 2.853 8.496 ( 0.000 22.727 0.000) 22.727 8.579 ( 0.000 10.857 0.000) 10.857 8.609 ( 0.000 7.615 0.000) 7.615 8.944 ( 0.000 -7.401 0.000) 7.401 9.069 ( 0.000 5.228 0.000) 5.228 9.146 ( 0.000 13.969 0.000) 13.969 9.155 ( 0.000 3.391 0.000) 3.391 9.466 ( 0.000 -6.179 0.000) 6.179 9.504 ( 0.000 -2.807 0.000) 2.807 9.529 ( 0.000 1.278 0.000) 1.278 9.904 ( 0.000 -16.354 0.000) 16.354 9.924 ( 0.000 -18.136 0.000) 18.136 10.564 ( 0.000 0.022 0.000) 0.022 10.765 ( 0.000 -7.216 0.000) 7.216 10.966 ( 0.000 4.389 0.000) 4.389 11.057 ( 0.000 -0.572 0.000) 0.572 11.551 ( 0.000 8.428 0.000) 8.428 11.663 ( 0.000 4.837 0.000) 4.837 11.868 ( 0.000 -6.088 0.000) 6.088 12.028 ( 0.000 3.179 0.000) 3.179 12.090 ( 0.000 -12.343 0.000) 12.343 12.207 ( 0.000 -1.901 0.000) 1.901 12.364 ( 0.000 9.092 0.000) 9.092 12.695 ( 0.000 13.295 0.000) 13.295 12.751 ( 0.000 2.110 0.000) 2.110 12.774 ( 0.000 -11.734 0.000) 11.734 12.836 ( 0.000 -1.371 0.000) 1.371 13.032 ( 0.000 5.475 0.000) 5.475 13.808 ( 0.000 -0.581 0.000) 0.581 13.893 ( 0.000 1.749 0.000) 1.749 13.909 ( 0.000 3.600 0.000) 3.600 14.120 ( 0.000 5.958 0.000) 5.958 14.167 ( 0.000 -8.237 0.000) 8.237 14.332 ( 0.000 -3.618 0.000) 3.618 14.442 ( 0.000 0.472 0.000) 0.472 14.540 ( 0.000 0.196 0.000) 0.196 14.995 ( 0.000 -4.698 0.000) 4.698 15.238 ( 0.000 -14.953 0.000) 14.953 15.252 ( 0.000 3.391 0.000) 3.391 15.256 ( 0.000 6.747 0.000) 6.747 15.367 ( 0.000 0.379 0.000) 0.379 15.474 ( 0.000 5.142 0.000) 5.142 15.557 ( 0.000 -4.175 0.000) 4.175 15.700 ( 0.000 -6.459 0.000) 6.459 16.939 ( 0.000 20.499 0.000) 20.499 17.173 ( 0.000 3.823 0.000) 3.823 17.474 ( 0.000 -10.242 0.000) 10.242 17.562 ( 0.000 -7.890 0.000) 7.890 18.329 ( 0.000 7.374 0.000) 7.374 18.385 ( 0.000 7.036 0.000) 7.036 18.617 ( 0.000 -3.970 0.000) 3.970 18.784 ( 0.000 -11.817 0.000) 11.817 24.635 ( 0.000 1.020 0.000) 1.020 24.684 ( 0.000 -1.124 0.000) 1.124 24.915 ( 0.000 0.376 0.000) 0.376 25.099 ( 0.000 -8.802 0.000) 8.802 26.398 ( 0.000 -0.643 0.000) 0.643 26.406 ( 0.000 2.391 0.000) 2.391 26.437 ( 0.000 -2.270 0.000) 2.270 26.488 ( 0.000 -1.245 0.000) 1.245 27.898 ( 0.000 -1.168 0.000) 1.168 27.940 ( 0.000 -1.971 0.000) 1.971 28.082 ( 0.000 0.253 0.000) 0.253 28.121 ( 0.000 -1.083 0.000) 1.083 28.441 ( 0.000 4.602 0.000) 4.602 28.534 ( 0.000 12.318 0.000) 12.318 28.603 ( 0.000 -2.933 0.000) 2.933 28.673 ( 0.000 6.361 0.000) 6.361 28.884 ( 0.000 1.613 0.000) 1.613 28.947 ( 0.000 -0.996 0.000) 0.996 29.069 ( 0.000 6.991 0.000) 6.991 29.398 ( 0.000 -7.538 0.000) 7.538 29.721 ( 0.000 -1.566 0.000) 1.566 29.752 ( 0.000 -2.849 0.000) 2.849 29.947 ( 0.000 1.093 0.000) 1.093 30.034 ( 0.000 -2.929 0.000) 2.929 30.324 ( 0.000 8.037 0.000) 8.037 30.665 ( 0.000 -7.038 0.000) 7.038 30.880 ( 0.000 2.218 0.000) 2.218 31.008 ( 0.000 -3.525 0.000) 3.525 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 9.673 26.924 0.000) 28.609 1.590 ( 8.061 30.573 0.000) 31.618 1.961 ( -16.238 9.568 0.000) 18.847 2.053 ( -10.965 18.878 0.000) 21.832 2.330 ( 9.176 24.323 0.000) 25.996 2.370 ( 4.033 -14.787 0.000) 15.327 2.398 ( 4.063 -8.983 0.000) 9.859 2.666 ( -3.196 -10.327 0.000) 10.810 2.754 ( -1.747 -3.264 0.000) 3.702 2.782 ( -2.540 2.224 0.000) 3.376 2.849 ( 9.751 17.775 0.000) 20.274 2.965 ( -0.452 -3.104 0.000) 3.137 3.012 ( -0.181 -12.451 0.000) 12.452 3.462 ( -2.833 1.030 0.000) 3.015 3.487 ( -1.439 -4.008 0.000) 4.259 3.491 ( -19.277 7.633 0.000) 20.733 3.789 ( 12.079 3.093 0.000) 12.469 4.058 ( 4.316 -4.929 0.000) 6.552 4.074 ( -1.009 1.848 0.000) 2.106 4.172 ( -4.733 1.492 0.000) 4.963 4.543 ( -1.850 0.861 0.000) 2.040 4.603 ( -2.146 -6.135 0.000) 6.500 4.644 ( 3.289 -1.998 0.000) 3.848 4.721 ( 3.879 -2.690 0.000) 4.720 4.845 ( -1.867 -7.575 0.000) 7.802 4.875 ( -6.575 3.947 0.000) 7.669 5.159 ( 2.386 -10.633 0.000) 10.897 5.194 ( -0.592 -12.063 0.000) 12.078 5.359 ( 11.014 8.987 0.000) 14.216 5.640 ( 2.041 2.528 0.000) 3.249 5.704 ( 1.027 3.774 0.000) 3.911 5.744 ( -0.307 3.202 0.000) 3.217 5.773 ( 1.813 -5.354 0.000) 5.653 5.774 ( 1.359 -1.797 0.000) 2.253 5.900 ( 1.718 -3.624 0.000) 4.010 5.936 ( -4.091 4.946 0.000) 6.419 6.102 ( 2.946 -3.947 0.000) 4.925 6.199 ( -5.302 4.630 0.000) 7.039 6.363 ( -1.212 -5.385 0.000) 5.520 6.402 ( -0.332 -1.913 0.000) 1.942 6.602 ( 1.022 -2.165 0.000) 2.394 6.611 ( 0.012 2.426 0.000) 2.426 6.716 ( 6.777 -8.769 0.000) 11.082 6.828 ( 2.087 -6.876 0.000) 7.186 7.071 ( 0.840 0.035 0.000) 0.841 7.168 ( 6.642 -1.552 0.000) 6.821 7.249 ( 4.203 3.287 0.000) 5.336 7.348 ( -11.343 6.777 0.000) 13.213 7.464 ( -5.112 3.144 0.000) 6.001 7.485 ( 3.491 -6.957 0.000) 7.783 7.572 ( -7.116 -0.239 0.000) 7.120 7.640 ( -4.526 -5.370 0.000) 7.023 8.531 ( 3.926 22.527 0.000) 22.867 8.624 ( 4.250 11.977 0.000) 12.708 8.648 ( 3.640 9.355 0.000) 10.038 8.905 ( -14.276 12.783 0.000) 19.163 9.013 ( 1.398 -5.340 0.000) 5.520 9.040 ( -2.587 2.539 0.000) 3.624 9.169 ( -0.139 6.915 0.000) 6.917 9.407 ( -8.593 -2.527 0.000) 8.957 9.408 ( -3.269 -1.378 0.000) 3.547 9.496 ( -3.743 1.735 0.000) 4.125 9.936 ( 2.659 -18.525 0.000) 18.715 9.955 ( 2.245 -18.511 0.000) 18.646 10.618 ( 5.514 0.602 0.000) 5.547 10.802 ( 4.064 -5.393 0.000) 6.753 10.894 ( -6.921 4.137 0.000) 8.063 11.011 ( -4.699 -0.939 0.000) 4.792 11.484 ( -0.219 9.258 0.000) 9.261 11.627 ( -3.719 5.233 0.000) 6.420 11.949 ( 0.825 -8.186 0.000) 8.228 12.051 ( -3.930 -11.506 0.000) 12.158 12.164 ( 12.389 5.865 0.000) 13.708 12.361 ( 16.403 -1.243 0.000) 16.450 12.514 ( 12.361 3.496 0.000) 12.846 12.586 ( -7.842 10.568 0.000) 13.160 12.763 ( -2.622 3.406 0.000) 4.298 12.780 ( 1.466 -9.244 0.000) 9.360 12.781 ( -5.216 -0.992 0.000) 5.310 13.018 ( -2.988 1.469 0.000) 3.329 13.763 ( -0.915 5.494 0.000) 5.570 13.925 ( 0.937 4.720 0.000) 4.812 13.956 ( 3.521 0.876 0.000) 3.628 13.988 ( -7.193 7.487 0.000) 10.383 14.309 ( 3.336 -8.032 0.000) 8.697 14.346 ( 6.340 -7.441 0.000) 9.775 14.385 ( -4.479 -1.631 0.000) 4.766 14.555 ( -0.194 -3.057 0.000) 3.063 14.990 ( 0.738 -2.075 0.000) 2.202 15.167 ( -6.801 6.610 0.000) 9.484 15.297 ( 3.661 5.578 0.000) 6.672 15.311 ( 6.107 -11.966 0.000) 13.434 15.385 ( 1.994 0.291 0.000) 2.015 15.461 ( -1.303 3.779 0.000) 3.997 15.588 ( 0.800 -12.158 0.000) 12.184 15.632 ( -5.980 -6.240 0.000) 8.643 17.026 ( 8.108 16.772 0.000) 18.629 17.188 ( 1.058 5.286 0.000) 5.391 17.529 ( 4.151 -9.756 0.000) 10.602 17.568 ( 0.526 -7.007 0.000) 7.027 18.309 ( -1.941 7.166 0.000) 7.424 18.325 ( -4.660 8.683 0.000) 9.855 18.624 ( 0.968 -5.825 0.000) 5.905 18.745 ( -3.862 -11.387 0.000) 12.024 24.712 ( 3.914 -0.718 0.000) 3.979 24.755 ( 10.060 -4.237 0.000) 10.916 24.879 ( -3.668 0.466 0.000) 3.697 25.066 ( -3.827 -9.677 0.000) 10.406 26.391 ( -0.402 0.127 0.000) 0.422 26.399 ( -0.605 2.272 0.000) 2.351 26.451 ( 1.189 -2.289 0.000) 2.579 26.485 ( -0.395 -1.534 0.000) 1.584 27.918 ( 2.137 -0.914 0.000) 2.325 27.962 ( 2.301 -1.913 0.000) 2.992 28.046 ( -3.454 0.076 0.000) 3.455 28.089 ( -3.195 -1.337 0.000) 3.464 28.447 ( 0.722 5.652 0.000) 5.698 28.510 ( -2.108 10.857 0.000) 11.060 28.628 ( 2.345 -2.701 0.000) 3.577 28.677 ( 0.132 4.803 0.000) 4.805 28.894 ( 1.957 2.809 0.000) 3.423 28.988 ( 3.675 -0.522 0.000) 3.711 29.047 ( -2.511 5.099 0.000) 5.684 29.237 ( -11.641 -3.684 0.000) 12.210 29.760 ( 6.199 2.117 0.000) 6.550 29.943 ( 11.089 -5.206 0.000) 12.250 29.968 ( 1.137 1.160 0.000) 1.624 30.020 ( -1.251 -0.393 0.000) 1.311 30.349 ( 4.326 7.626 0.000) 8.767 30.674 ( 1.272 -6.795 0.000) 6.913 30.776 ( -10.768 2.336 0.000) 11.019 30.892 ( -9.917 -2.296 0.000) 10.180 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -14.766 18.118 0.000) 23.373 1.623 ( 14.766 18.118 0.000) 23.373 1.819 ( -11.491 24.184 0.000) 26.775 1.819 ( 11.491 24.184 0.000) 26.775 2.413 ( -2.031 -11.883 0.000) 12.056 2.413 ( 2.031 -11.883 0.000) 12.056 2.553 ( -9.555 5.590 0.000) 11.070 2.553 ( 9.555 5.590 0.000) 11.070 2.738 ( -0.997 -2.268 0.000) 2.477 2.738 ( 0.997 -2.268 0.000) 2.477 2.969 ( -0.002 -5.303 0.000) 5.303 2.969 ( 0.002 -5.303 0.000) 5.303 3.133 ( -16.696 13.456 0.000) 21.444 3.133 ( 16.696 13.456 0.000) 21.444 3.457 ( -1.324 -1.953 0.000) 2.360 3.457 ( 1.324 -1.953 0.000) 2.360 3.994 ( -9.017 1.238 0.000) 9.101 3.994 ( 9.017 1.238 0.000) 9.101 4.103 ( -1.559 0.240 0.000) 1.577 4.103 ( 1.559 0.240 0.000) 1.577 4.555 ( -2.468 -4.281 0.000) 4.941 4.555 ( 2.468 -4.281 0.000) 4.941 4.727 ( -4.763 -5.980 0.000) 7.645 4.727 ( 4.763 -5.980 0.000) 7.645 4.807 ( -1.467 0.688 0.000) 1.621 4.807 ( 1.467 0.688 0.000) 1.621 5.183 ( -0.760 -12.199 0.000) 12.222 5.183 ( 0.760 -12.199 0.000) 12.222 5.567 ( -9.285 8.095 0.000) 12.318 5.567 ( 9.285 8.095 0.000) 12.318 5.730 ( -1.144 3.107 0.000) 3.311 5.730 ( 1.144 3.107 0.000) 3.311 5.793 ( -0.490 -2.043 0.000) 2.101 5.793 ( 0.490 -2.043 0.000) 2.101 5.913 ( -0.644 0.082 0.000) 0.649 5.913 ( 0.644 0.082 0.000) 0.649 6.135 ( -1.522 -1.056 0.000) 1.853 6.135 ( 1.522 -1.056 0.000) 1.853 6.371 ( -2.018 -4.446 0.000) 4.883 6.371 ( 2.018 -4.446 0.000) 4.883 6.613 ( -0.064 0.013 0.000) 0.066 6.613 ( 0.064 0.013 0.000) 0.066 6.834 ( -3.127 -11.322 0.000) 11.746 6.834 ( 3.127 -11.322 0.000) 11.746 7.134 ( -8.394 6.469 0.000) 10.597 7.134 ( 8.394 6.469 0.000) 10.597 7.338 ( -9.197 2.053 0.000) 9.423 7.338 ( 9.197 2.053 0.000) 9.423 7.379 ( -10.530 -0.463 0.000) 10.540 7.379 ( 10.530 -0.463 0.000) 10.540 7.560 ( -4.224 -6.396 0.000) 7.665 7.560 ( 4.224 -6.396 0.000) 7.665 8.653 ( -9.493 19.380 0.000) 21.580 8.653 ( 9.493 19.380 0.000) 21.580 8.690 ( -0.428 15.920 0.000) 15.926 8.690 ( 0.428 15.920 0.000) 15.926 9.020 ( -1.374 -5.029 0.000) 5.214 9.020 ( 1.374 -5.029 0.000) 5.214 9.236 ( -8.476 -0.949 0.000) 8.529 9.236 ( 8.476 -0.949 0.000) 8.529 9.419 ( -3.623 3.263 0.000) 4.876 9.419 ( 3.623 3.263 0.000) 4.876 9.972 ( -0.687 -19.633 0.000) 19.645 9.972 ( 0.687 -19.633 0.000) 19.645 10.748 ( -8.058 2.574 0.000) 8.459 10.748 ( 8.058 2.574 0.000) 8.459 10.904 ( -6.313 -2.362 0.000) 6.740 10.904 ( 6.313 -2.362 0.000) 6.740 11.542 ( -4.874 6.734 0.000) 8.312 11.542 ( 4.874 6.734 0.000) 8.312 11.975 ( -3.210 -8.722 0.000) 9.294 11.975 ( 3.210 -8.722 0.000) 9.294 12.410 ( -12.045 7.540 0.000) 14.210 12.410 ( 12.045 7.540 0.000) 14.210 12.617 ( -10.802 1.014 0.000) 10.850 12.617 ( 10.802 1.014 0.000) 10.850 12.699 ( -5.815 0.299 0.000) 5.823 12.699 ( 5.815 0.299 0.000) 5.823 12.886 ( -9.790 -4.452 0.000) 10.754 12.886 ( 9.790 -4.452 0.000) 10.754 13.823 ( -6.813 9.885 0.000) 12.005 13.823 ( 6.813 9.885 0.000) 12.005 13.980 ( -1.031 3.703 0.000) 3.844 13.980 ( 1.031 3.703 0.000) 3.844 14.322 ( -1.648 -5.466 0.000) 5.709 14.322 ( 1.648 -5.466 0.000) 5.709 14.496 ( -6.344 -9.466 0.000) 11.395 14.496 ( 6.344 -9.466 0.000) 11.395 15.047 ( -5.372 3.936 0.000) 6.660 15.047 ( 5.372 3.936 0.000) 6.660 15.367 ( -2.003 2.705 0.000) 3.366 15.367 ( 2.003 2.705 0.000) 3.366 15.430 ( -2.348 0.809 0.000) 2.484 15.430 ( 2.348 0.809 0.000) 2.484 15.566 ( -0.907 -15.523 0.000) 15.549 15.566 ( 0.907 -15.523 0.000) 15.549 17.164 ( -4.883 9.710 0.000) 10.869 17.164 ( 4.883 9.710 0.000) 10.869 17.572 ( -0.467 -6.900 0.000) 6.916 17.572 ( 0.467 -6.900 0.000) 6.916 18.280 ( -0.263 7.931 0.000) 7.936 18.280 ( 0.263 7.931 0.000) 7.936 18.667 ( -3.751 -9.307 0.000) 10.035 18.667 ( 3.751 -9.307 0.000) 10.035 24.795 ( -4.935 0.174 0.000) 4.938 24.795 ( 4.935 0.174 0.000) 4.938 24.947 ( -9.049 -9.653 0.000) 13.231 24.947 ( 9.049 -9.653 0.000) 13.231 26.389 ( -0.261 1.491 0.000) 1.513 26.389 ( 0.261 1.491 0.000) 1.513 26.472 ( -0.993 -2.029 0.000) 2.259 26.472 ( 0.993 -2.029 0.000) 2.259 27.974 ( -3.783 -0.372 0.000) 3.802 27.974 ( 3.783 -0.372 0.000) 3.802 28.020 ( -3.795 -1.706 0.000) 4.161 28.020 ( 3.795 -1.706 0.000) 4.161 28.471 ( -1.877 8.086 0.000) 8.301 28.471 ( 1.877 8.086 0.000) 8.301 28.667 ( -1.422 0.495 0.000) 1.506 28.667 ( 1.422 0.495 0.000) 1.506 28.968 ( -5.480 2.754 0.000) 6.133 28.968 ( 5.480 2.754 0.000) 6.133 29.072 ( -5.881 0.047 0.000) 5.881 29.072 ( 5.881 0.047 0.000) 5.881 29.900 ( -7.389 4.590 0.000) 8.699 29.900 ( 7.389 4.590 0.000) 8.699 30.033 ( -0.527 -1.448 0.000) 1.541 30.033 ( 0.527 -1.448 0.000) 1.541 30.532 ( -13.891 3.545 0.000) 14.337 30.532 ( 13.891 3.545 0.000) 14.337 30.734 ( -5.946 -4.772 0.000) 7.625 30.734 ( 5.946 -4.772 0.000) 7.625 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 -25.717 0.000) 25.717 1.872 ( 0.000 25.717 0.000) 25.717 2.124 ( 0.000 -17.167 0.000) 17.167 2.124 ( 0.000 17.167 0.000) 17.167 2.291 ( 0.000 -9.229 0.000) 9.229 2.291 ( 0.000 9.229 0.000) 9.229 2.582 ( 0.000 -1.428 0.000) 1.428 2.582 ( 0.000 1.428 0.000) 1.428 2.655 ( 0.000 -2.629 0.000) 2.629 2.655 ( 0.000 2.629 0.000) 2.629 2.903 ( 0.000 -5.101 0.000) 5.101 2.903 ( 0.000 5.101 0.000) 5.101 3.260 ( 0.000 -20.715 0.000) 20.715 3.260 ( 0.000 20.715 0.000) 20.715 3.642 ( 0.000 -4.761 0.000) 4.761 3.642 ( 0.000 4.761 0.000) 4.761 3.803 ( 0.000 -8.593 0.000) 8.593 3.803 ( 0.000 8.593 0.000) 8.593 4.179 ( 0.000 -5.976 0.000) 5.976 4.179 ( 0.000 5.976 0.000) 5.976 4.510 ( 0.000 -1.622 0.000) 1.622 4.510 ( 0.000 1.622 0.000) 1.622 4.671 ( 0.000 -3.283 0.000) 3.283 4.671 ( 0.000 3.283 0.000) 3.283 4.957 ( 0.000 -11.000 0.000) 11.000 4.957 ( 0.000 11.000 0.000) 11.000 4.996 ( 0.000 -2.539 0.000) 2.539 4.996 ( 0.000 2.539 0.000) 2.539 5.487 ( 0.000 -14.617 0.000) 14.617 5.487 ( 0.000 14.617 0.000) 14.617 5.657 ( 0.000 -3.903 0.000) 3.903 5.657 ( 0.000 3.903 0.000) 3.903 5.800 ( 0.000 -4.496 0.000) 4.496 5.800 ( 0.000 4.496 0.000) 4.496 5.887 ( 0.000 -6.210 0.000) 6.210 5.887 ( 0.000 6.210 0.000) 6.210 6.218 ( 0.000 -9.224 0.000) 9.224 6.218 ( 0.000 9.224 0.000) 9.224 6.358 ( 0.000 -1.829 0.000) 1.829 6.358 ( 0.000 1.829 0.000) 1.829 6.562 ( 0.000 -0.827 0.000) 0.827 6.562 ( 0.000 0.827 0.000) 0.827 6.706 ( 0.000 -5.125 0.000) 5.125 6.706 ( 0.000 5.125 0.000) 5.125 7.074 ( 0.000 -0.670 0.000) 0.670 7.074 ( 0.000 0.670 0.000) 0.670 7.301 ( 0.000 -5.719 0.000) 5.719 7.301 ( 0.000 5.719 0.000) 5.719 7.520 ( 0.000 -3.520 0.000) 3.520 7.520 ( 0.000 3.520 0.000) 3.520 7.662 ( 0.000 -3.356 0.000) 3.356 7.662 ( 0.000 3.356 0.000) 3.356 8.711 ( 0.000 -0.607 0.000) 0.607 8.711 ( 0.000 0.607 0.000) 0.607 8.777 ( 0.000 -8.670 0.000) 8.670 8.777 ( 0.000 8.670 0.000) 8.670 9.272 ( 0.000 -6.467 0.000) 6.467 9.272 ( 0.000 6.467 0.000) 6.467 9.340 ( 0.000 -16.024 0.000) 16.024 9.340 ( 0.000 16.024 0.000) 16.024 9.538 ( 0.000 -17.463 0.000) 17.463 9.538 ( 0.000 17.463 0.000) 17.463 9.602 ( 0.000 -8.281 0.000) 8.281 9.602 ( 0.000 8.281 0.000) 8.281 10.617 ( 0.000 -5.331 0.000) 5.331 10.617 ( 0.000 5.331 0.000) 5.331 11.034 ( 0.000 -2.029 0.000) 2.029 11.034 ( 0.000 2.029 0.000) 2.029 11.724 ( 0.000 -7.876 0.000) 7.876 11.724 ( 0.000 7.876 0.000) 7.876 11.843 ( 0.000 -11.069 0.000) 11.069 11.843 ( 0.000 11.069 0.000) 11.069 12.122 ( 0.000 -5.359 0.000) 5.359 12.122 ( 0.000 5.359 0.000) 5.359 12.557 ( 0.000 -9.578 0.000) 9.578 12.557 ( 0.000 9.578 0.000) 9.578 12.791 ( 0.000 -1.717 0.000) 1.717 12.791 ( 0.000 1.717 0.000) 1.717 12.966 ( 0.000 -10.011 0.000) 10.011 12.966 ( 0.000 10.011 0.000) 10.011 13.863 ( 0.000 -3.896 0.000) 3.896 13.863 ( 0.000 3.896 0.000) 3.896 14.010 ( 0.000 -6.451 0.000) 6.451 14.010 ( 0.000 6.451 0.000) 6.451 14.239 ( 0.000 -5.299 0.000) 5.299 14.239 ( 0.000 5.299 0.000) 5.299 14.505 ( 0.000 -3.826 0.000) 3.826 14.505 ( 0.000 3.826 0.000) 3.826 14.998 ( 0.000 -6.586 0.000) 6.586 14.998 ( 0.000 6.586 0.000) 6.586 15.306 ( 0.000 -1.469 0.000) 1.469 15.306 ( 0.000 1.469 0.000) 1.469 15.446 ( 0.000 -6.237 0.000) 6.237 15.446 ( 0.000 6.237 0.000) 6.237 15.580 ( 0.000 -5.250 0.000) 5.250 15.580 ( 0.000 5.250 0.000) 5.250 17.289 ( 0.000 -7.403 0.000) 7.403 17.289 ( 0.000 7.403 0.000) 7.403 17.315 ( 0.000 -15.523 0.000) 15.523 17.315 ( 0.000 15.523 0.000) 15.523 18.517 ( 0.000 -5.694 0.000) 5.694 18.517 ( 0.000 5.694 0.000) 5.694 18.534 ( 0.000 -11.695 0.000) 11.695 18.534 ( 0.000 11.695 0.000) 11.695 24.659 ( 0.000 -1.240 0.000) 1.240 24.659 ( 0.000 1.240 0.000) 1.240 24.961 ( 0.000 -4.352 0.000) 4.352 24.961 ( 0.000 4.352 0.000) 4.352 26.402 ( 0.000 -1.002 0.000) 1.002 26.402 ( 0.000 1.002 0.000) 1.002 26.453 ( 0.000 -2.091 0.000) 2.091 26.453 ( 0.000 2.091 0.000) 2.091 27.903 ( 0.000 -1.307 0.000) 1.307 27.903 ( 0.000 1.307 0.000) 1.307 28.097 ( 0.000 -1.103 0.000) 1.103 28.097 ( 0.000 1.103 0.000) 1.103 28.531 ( 0.000 -3.965 0.000) 3.965 28.531 ( 0.000 3.965 0.000) 3.965 28.704 ( 0.000 -3.585 0.000) 3.585 28.704 ( 0.000 3.585 0.000) 3.585 28.919 ( 0.000 -1.632 0.000) 1.632 28.919 ( 0.000 1.632 0.000) 1.632 29.232 ( 0.000 -8.365 0.000) 8.365 29.232 ( 0.000 8.365 0.000) 8.365 29.710 ( 0.000 -0.830 0.000) 0.830 29.710 ( 0.000 0.830 0.000) 0.830 29.980 ( 0.000 -2.153 0.000) 2.153 29.980 ( 0.000 2.153 0.000) 2.153 30.500 ( 0.000 -8.617 0.000) 8.617 30.500 ( 0.000 8.617 0.000) 8.617 30.936 ( 0.000 -3.226 0.000) 3.226 30.936 ( 0.000 3.226 0.000) 3.226 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.779 -24.195 0.000) 24.662 1.918 ( 4.779 24.195 0.000) 24.662 2.124 ( -1.476 -17.076 0.000) 17.140 2.124 ( -1.476 17.076 0.000) 17.140 2.266 ( -0.850 -21.456 0.000) 21.473 2.266 ( -0.850 21.456 0.000) 21.473 2.460 ( -8.290 -17.146 0.000) 19.045 2.460 ( -8.290 17.146 0.000) 19.045 2.748 ( 5.487 -11.767 0.000) 12.984 2.748 ( 5.487 11.767 0.000) 12.984 2.886 ( -1.855 -5.290 0.000) 5.606 2.886 ( -1.855 5.290 0.000) 5.606 3.295 ( 3.744 -16.754 0.000) 17.167 3.295 ( 3.744 16.754 0.000) 17.167 3.529 ( -8.036 -3.324 0.000) 8.696 3.529 ( -8.036 3.324 0.000) 8.696 3.926 ( 8.884 -8.020 0.000) 11.969 3.926 ( 8.884 8.020 0.000) 11.969 4.157 ( -2.573 -4.713 0.000) 5.370 4.157 ( -2.573 4.713 0.000) 5.370 4.509 ( 0.226 -0.430 0.000) 0.486 4.509 ( 0.226 0.430 0.000) 0.486 4.618 ( -4.801 -6.084 0.000) 7.751 4.618 ( -4.801 6.084 0.000) 7.751 4.955 ( -0.058 -10.673 0.000) 10.673 4.955 ( -0.058 10.673 0.000) 10.673 4.978 ( -1.310 -6.251 0.000) 6.387 4.978 ( -1.310 6.251 0.000) 6.387 5.578 ( 7.823 -10.700 0.000) 13.255 5.578 ( 7.823 10.700 0.000) 13.255 5.698 ( 3.231 -3.239 0.000) 4.575 5.698 ( 3.231 3.239 0.000) 4.575 5.813 ( 1.203 -4.611 0.000) 4.765 5.813 ( 1.203 4.611 0.000) 4.765 5.866 ( -2.088 -6.362 0.000) 6.696 5.866 ( -2.088 6.362 0.000) 6.696 6.212 ( -0.103 -8.629 0.000) 8.630 6.212 ( -0.103 8.629 0.000) 8.630 6.318 ( -4.048 -6.190 0.000) 7.396 6.318 ( -4.048 6.190 0.000) 7.396 6.595 ( 3.253 -2.294 0.000) 3.980 6.595 ( 3.253 2.294 0.000) 3.980 6.695 ( -1.215 -5.513 0.000) 5.645 6.695 ( -1.215 5.513 0.000) 5.645 7.115 ( 4.982 -3.208 0.000) 5.926 7.115 ( 4.982 3.208 0.000) 5.926 7.346 ( 4.359 -5.951 0.000) 7.376 7.346 ( 4.359 5.951 0.000) 7.376 7.489 ( -4.539 -5.354 0.000) 7.020 7.489 ( -4.539 5.354 0.000) 7.020 7.547 ( -10.121 -2.870 0.000) 10.520 7.547 ( -10.121 2.870 0.000) 10.520 8.754 ( 4.437 -2.791 0.000) 5.242 8.754 ( 4.437 2.791 0.000) 5.242 8.830 ( 4.768 -8.563 0.000) 9.801 8.830 ( 4.768 8.563 0.000) 9.801 9.175 ( -8.117 -7.978 0.000) 11.382 9.175 ( -8.117 7.978 0.000) 11.382 9.260 ( -7.503 -13.632 0.000) 15.561 9.260 ( -7.503 13.632 0.000) 15.561 9.552 ( 1.542 -16.431 0.000) 16.503 9.552 ( 1.542 16.431 0.000) 16.503 9.606 ( -0.153 -11.306 0.000) 11.307 9.606 ( -0.153 11.306 0.000) 11.307 10.679 ( 6.374 -5.108 0.000) 8.168 10.679 ( 6.374 5.108 0.000) 8.168 10.970 ( -6.205 -2.963 0.000) 6.876 10.970 ( -6.205 2.963 0.000) 6.876 11.716 ( -0.186 -12.328 0.000) 12.329 11.716 ( -0.186 12.328 0.000) 12.329 11.808 ( -3.434 -11.056 0.000) 11.577 11.808 ( -3.434 11.056 0.000) 11.577 12.301 ( 16.191 -5.186 0.000) 17.002 12.301 ( 16.191 5.186 0.000) 17.002 12.613 ( 5.535 -6.532 0.000) 8.562 12.613 ( 5.535 6.532 0.000) 8.562 12.740 ( -5.235 -3.401 0.000) 6.243 12.740 ( -5.235 3.401 0.000) 6.243 12.908 ( -6.487 -9.553 0.000) 11.547 12.908 ( -6.487 9.553 0.000) 11.547 13.902 ( 4.040 -6.081 0.000) 7.301 13.902 ( 4.040 6.081 0.000) 7.301 14.034 ( 1.038 -4.733 0.000) 4.845 14.034 ( 1.038 4.733 0.000) 4.845 14.232 ( 0.672 -3.642 0.000) 3.703 14.232 ( 0.672 3.642 0.000) 3.703 14.444 ( -6.041 -6.214 0.000) 8.666 14.444 ( -6.041 6.214 0.000) 8.666 15.066 ( 6.603 -9.191 0.000) 11.317 15.066 ( 6.603 9.191 0.000) 11.317 15.319 ( -0.906 -6.514 0.000) 6.577 15.319 ( -0.906 6.514 0.000) 6.577 15.406 ( -1.725 -5.103 0.000) 5.386 15.406 ( -1.725 5.103 0.000) 5.386 15.542 ( -3.855 -3.719 0.000) 5.356 15.542 ( -3.855 3.719 0.000) 5.356 17.332 ( 3.717 -8.586 0.000) 9.356 17.332 ( 3.717 8.586 0.000) 9.356 17.345 ( 2.688 -13.725 0.000) 13.986 17.345 ( 2.688 13.725 0.000) 13.986 18.490 ( -2.191 -7.230 0.000) 7.554 18.490 ( -2.191 7.230 0.000) 7.554 18.507 ( -2.503 -11.170 0.000) 11.447 18.507 ( -2.503 11.170 0.000) 11.447 24.711 ( 5.207 -0.801 0.000) 5.269 24.711 ( 5.207 0.801 0.000) 5.269 24.923 ( -3.943 -4.244 0.000) 5.794 24.923 ( -3.943 4.244 0.000) 5.794 26.410 ( 0.792 -1.551 0.000) 1.741 26.410 ( 0.792 1.551 0.000) 1.741 26.446 ( -0.742 -2.180 0.000) 2.303 26.446 ( -0.742 2.180 0.000) 2.303 27.926 ( 2.371 -1.326 0.000) 2.717 27.926 ( 2.371 1.326 0.000) 2.717 28.061 ( -3.537 -1.213 0.000) 3.740 28.061 ( -3.537 1.213 0.000) 3.740 28.553 ( 2.333 -4.493 0.000) 5.062 28.553 ( 2.333 4.493 0.000) 5.062 28.676 ( -2.856 -4.590 0.000) 5.406 28.676 ( -2.856 4.590 0.000) 5.406 28.952 ( 3.331 -2.576 0.000) 4.211 28.952 ( 3.331 2.576 0.000) 4.211 29.149 ( -6.703 -4.745 0.000) 8.213 29.149 ( -6.703 4.745 0.000) 8.213 29.836 ( 10.315 -4.850 0.000) 11.398 29.836 ( 10.315 4.850 0.000) 11.398 29.995 ( 1.114 -1.480 0.000) 1.852 29.995 ( 1.114 1.480 0.000) 1.852 30.516 ( 2.443 -8.172 0.000) 8.530 30.516 ( 2.443 8.172 0.000) 8.530 30.833 ( -10.191 -3.026 0.000) 10.631 30.833 ( -10.191 3.026 0.000) 10.631 ======================= Grid point 19 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -6.948 -19.798 0.000) 20.982 2.033 ( 6.948 -19.798 0.000) 20.982 2.033 ( -6.948 19.798 0.000) 20.982 2.033 ( 6.948 19.798 0.000) 20.982 2.321 ( -6.149 -21.305 0.000) 22.175 2.321 ( 6.149 -21.305 0.000) 22.175 2.321 ( -6.149 21.305 0.000) 22.175 2.321 ( 6.149 21.305 0.000) 22.175 2.834 ( -3.791 -7.650 0.000) 8.538 2.834 ( 3.791 -7.650 0.000) 8.538 2.834 ( -3.791 7.650 0.000) 8.538 2.834 ( 3.791 7.650 0.000) 8.538 3.392 ( -6.545 -6.818 0.000) 9.451 3.392 ( 6.545 -6.818 0.000) 9.451 3.392 ( -6.545 6.818 0.000) 9.451 3.392 ( 6.545 6.818 0.000) 9.451 4.074 ( -6.544 -4.480 0.000) 7.931 4.074 ( 6.544 -4.480 0.000) 7.931 4.074 ( -6.544 4.480 0.000) 7.931 4.074 ( 6.544 4.480 0.000) 7.931 4.537 ( -3.156 -5.022 0.000) 5.931 4.537 ( 3.156 -5.022 0.000) 5.931 4.537 ( -3.156 5.022 0.000) 5.931 4.537 ( 3.156 5.022 0.000) 5.931 4.960 ( -0.631 -9.542 0.000) 9.563 4.960 ( 0.631 -9.542 0.000) 9.563 4.960 ( -0.631 9.542 0.000) 9.563 4.960 ( 0.631 9.542 0.000) 9.563 5.703 ( -4.057 -4.788 0.000) 6.276 5.703 ( 4.057 -4.788 0.000) 6.276 5.703 ( -4.057 4.788 0.000) 6.276 5.703 ( 4.057 4.788 0.000) 6.276 5.834 ( -1.008 -5.537 0.000) 5.628 5.834 ( 1.008 -5.537 0.000) 5.628 5.834 ( -1.008 5.537 0.000) 5.628 5.834 ( 1.008 5.537 0.000) 5.628 6.239 ( -3.397 -7.977 0.000) 8.670 6.239 ( 3.397 -7.977 0.000) 8.670 6.239 ( -3.397 7.977 0.000) 8.670 6.239 ( 3.397 7.977 0.000) 8.670 6.658 ( -2.931 -5.059 0.000) 5.847 6.658 ( 2.931 -5.059 0.000) 5.847 6.658 ( -2.931 5.059 0.000) 5.847 6.658 ( 2.931 5.059 0.000) 5.847 7.279 ( -12.631 -6.314 0.000) 14.122 7.279 ( -12.631 6.314 0.000) 14.122 7.279 ( 12.631 -6.314 0.000) 14.122 7.279 ( 12.631 6.314 0.000) 14.122 7.437 ( -4.917 -4.903 0.000) 6.944 7.437 ( 4.917 -4.903 0.000) 6.944 7.437 ( -4.917 4.903 0.000) 6.944 7.437 ( 4.917 4.903 0.000) 6.944 8.852 ( -4.447 -6.812 0.000) 8.135 8.852 ( 4.447 -6.812 0.000) 8.135 8.852 ( -4.447 6.812 0.000) 8.135 8.852 ( 4.447 6.812 0.000) 8.135 9.122 ( -4.955 -11.924 0.000) 12.913 9.122 ( 4.955 -11.924 0.000) 12.913 9.122 ( -4.955 11.924 0.000) 12.913 9.122 ( 4.955 11.924 0.000) 12.913 9.587 ( -1.814 -14.706 0.000) 14.818 9.587 ( 1.814 -14.706 0.000) 14.818 9.587 ( -1.814 14.706 0.000) 14.818 9.587 ( 1.814 14.706 0.000) 14.818 10.827 ( -8.688 -4.388 0.000) 9.733 10.827 ( 8.688 -4.388 0.000) 9.733 10.827 ( -8.688 4.388 0.000) 9.733 10.827 ( 8.688 4.388 0.000) 9.733 11.741 ( -3.013 -11.633 0.000) 12.017 11.741 ( 3.013 -11.633 0.000) 12.017 11.741 ( -3.013 11.633 0.000) 12.017 11.741 ( 3.013 11.633 0.000) 12.017 12.588 ( -12.280 -5.622 0.000) 13.506 12.588 ( -12.280 5.622 0.000) 13.506 12.588 ( 12.280 -5.622 0.000) 13.506 12.588 ( 12.280 5.622 0.000) 13.506 12.748 ( -9.099 -6.018 0.000) 10.909 12.748 ( 9.099 -6.018 0.000) 10.909 12.748 ( -9.099 6.018 0.000) 10.909 12.748 ( 9.099 6.018 0.000) 10.909 13.993 ( -4.848 -4.863 0.000) 6.867 13.993 ( 4.848 -4.863 0.000) 6.867 13.993 ( -4.848 4.863 0.000) 6.867 13.993 ( 4.848 4.863 0.000) 6.867 14.312 ( -7.145 -6.112 0.000) 9.402 14.312 ( 7.145 -6.112 0.000) 9.402 14.312 ( -7.145 6.112 0.000) 9.402 14.312 ( 7.145 6.112 0.000) 9.402 15.211 ( -8.287 -11.143 0.000) 13.887 15.211 ( 8.287 -11.143 0.000) 13.887 15.211 ( -8.287 11.143 0.000) 13.887 15.211 ( 8.287 11.143 0.000) 13.887 15.456 ( -4.873 -1.479 0.000) 5.092 15.456 ( -4.873 1.479 0.000) 5.092 15.456 ( 4.873 -1.479 0.000) 5.092 15.456 ( 4.873 1.479 0.000) 5.092 17.377 ( -0.212 -10.626 0.000) 10.628 17.377 ( 0.212 -10.626 0.000) 10.628 17.377 ( -0.212 10.626 0.000) 10.628 17.377 ( 0.212 10.626 0.000) 10.628 18.470 ( -0.636 -9.672 0.000) 9.693 18.470 ( 0.636 -9.672 0.000) 9.693 18.470 ( -0.636 9.672 0.000) 9.693 18.470 ( 0.636 9.672 0.000) 9.693 24.825 ( -6.351 -3.109 0.000) 7.071 24.825 ( -6.351 3.109 0.000) 7.071 24.825 ( 6.351 -3.109 0.000) 7.071 24.825 ( 6.351 3.109 0.000) 7.071 26.429 ( -1.084 -2.113 0.000) 2.375 26.429 ( 1.084 -2.113 0.000) 2.375 26.429 ( -1.084 2.113 0.000) 2.375 26.429 ( 1.084 2.113 0.000) 2.375 27.987 ( -4.016 -1.323 0.000) 4.229 27.987 ( -4.016 1.323 0.000) 4.229 27.987 ( 4.016 -1.323 0.000) 4.229 27.987 ( 4.016 1.323 0.000) 4.229 28.611 ( -3.727 -5.192 0.000) 6.391 28.611 ( 3.727 -5.192 0.000) 6.391 28.611 ( -3.727 5.192 0.000) 6.391 28.611 ( 3.727 5.192 0.000) 6.391 29.034 ( -5.419 -3.107 0.000) 6.247 29.034 ( 5.419 -3.107 0.000) 6.247 29.034 ( -5.419 3.107 0.000) 6.247 29.034 ( 5.419 3.107 0.000) 6.247 29.982 ( -3.941 -3.321 0.000) 5.153 29.982 ( 3.941 -3.321 0.000) 5.153 29.982 ( -3.941 3.321 0.000) 5.153 29.982 ( 3.941 3.321 0.000) 5.153 30.627 ( -9.916 -5.257 0.000) 11.224 30.627 ( 9.916 -5.257 0.000) 11.224 30.627 ( -9.916 5.257 0.000) 11.224 30.627 ( 9.916 5.257 0.000) 11.224 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 0.000 33.011) 33.011 0.813 ( 0.000 0.000 39.447) 39.447 1.099 ( 0.000 0.000 53.566) 53.566 2.115 ( 0.000 0.000 9.029) 9.029 2.154 ( 0.000 0.000 5.471) 5.471 2.190 ( 0.000 0.000 1.738) 1.738 2.472 ( 0.000 0.000 11.553) 11.553 2.528 ( 0.000 0.000 -4.654) 4.654 2.756 ( 0.000 0.000 3.038) 3.038 2.835 ( 0.000 0.000 13.819) 13.819 2.976 ( 0.000 0.000 -4.577) 4.577 3.064 ( 0.000 0.000 -0.753) 0.753 3.344 ( 0.000 0.000 -7.176) 7.176 3.510 ( 0.000 0.000 -4.692) 4.692 3.592 ( 0.000 0.000 -0.806) 0.806 3.664 ( 0.000 0.000 -1.683) 1.683 3.717 ( 0.000 0.000 6.217) 6.217 3.929 ( 0.000 0.000 -6.369) 6.369 4.046 ( 0.000 0.000 -1.091) 1.091 4.196 ( 0.000 0.000 -1.950) 1.950 4.400 ( 0.000 0.000 -3.519) 3.519 4.534 ( 0.000 0.000 1.692) 1.692 4.602 ( 0.000 0.000 -7.381) 7.381 4.721 ( 0.000 0.000 -5.294) 5.294 4.901 ( 0.000 0.000 4.601) 4.601 4.964 ( 0.000 0.000 -3.196) 3.196 5.368 ( 0.000 0.000 -12.211) 12.211 5.489 ( 0.000 0.000 -2.915) 2.915 5.570 ( 0.000 0.000 -0.056) 0.056 5.593 ( 0.000 0.000 -3.754) 3.754 5.608 ( 0.000 0.000 2.451) 2.451 5.622 ( 0.000 0.000 0.152) 0.152 5.736 ( 0.000 0.000 7.130) 7.130 5.749 ( 0.000 0.000 -2.667) 2.667 5.881 ( 0.000 0.000 -0.357) 0.357 5.900 ( 0.000 0.000 0.902) 0.902 6.035 ( 0.000 0.000 -8.456) 8.456 6.144 ( 0.000 0.000 13.796) 13.796 6.399 ( 0.000 0.000 -1.944) 1.944 6.509 ( 0.000 0.000 1.078) 1.078 6.643 ( 0.000 0.000 5.664) 5.664 6.824 ( 0.000 0.000 -3.433) 3.433 6.946 ( 0.000 0.000 -4.244) 4.244 7.017 ( 0.000 0.000 -5.951) 5.951 7.201 ( 0.000 0.000 -2.378) 2.378 7.245 ( 0.000 0.000 -0.466) 0.466 7.326 ( 0.000 0.000 -0.039) 0.039 7.370 ( 0.000 0.000 -1.048) 1.048 7.514 ( 0.000 0.000 -0.769) 0.769 7.592 ( 0.000 0.000 10.501) 10.501 7.623 ( 0.000 0.000 13.215) 13.215 7.645 ( 0.000 0.000 -0.642) 0.642 7.957 ( 0.000 0.000 1.415) 1.415 8.261 ( 0.000 0.000 9.712) 9.712 8.356 ( 0.000 0.000 0.121) 0.121 8.459 ( 0.000 0.000 -6.256) 6.256 8.894 ( 0.000 0.000 -13.683) 13.683 8.925 ( 0.000 0.000 4.503) 4.503 9.157 ( 0.000 0.000 2.993) 2.993 9.482 ( 0.000 0.000 -3.416) 3.416 9.531 ( 0.000 0.000 -6.059) 6.059 9.725 ( 0.000 0.000 -0.363) 0.363 10.036 ( 0.000 0.000 -17.289) 17.289 10.515 ( 0.000 0.000 -3.934) 3.934 10.637 ( 0.000 0.000 0.750) 0.750 10.653 ( 0.000 0.000 -7.794) 7.794 10.840 ( 0.000 0.000 0.576) 0.576 11.036 ( 0.000 0.000 -4.232) 4.232 11.448 ( 0.000 0.000 9.661) 9.661 11.951 ( 0.000 0.000 5.167) 5.167 11.987 ( 0.000 0.000 -0.328) 0.328 11.999 ( 0.000 0.000 -4.293) 4.293 12.132 ( 0.000 0.000 1.436) 1.436 12.134 ( 0.000 0.000 -0.202) 0.202 12.282 ( 0.000 0.000 -1.739) 1.739 12.412 ( 0.000 0.000 -4.607) 4.607 12.442 ( 0.000 0.000 -3.672) 3.672 12.903 ( 0.000 0.000 0.609) 0.609 12.991 ( 0.000 0.000 -0.351) 0.351 13.144 ( 0.000 0.000 -2.251) 2.251 13.736 ( 0.000 0.000 5.256) 5.256 13.820 ( 0.000 0.000 6.196) 6.196 13.972 ( 0.000 0.000 3.955) 3.955 13.981 ( 0.000 0.000 13.933) 13.933 14.032 ( 0.000 0.000 3.420) 3.420 14.429 ( 0.000 0.000 2.835) 2.835 14.587 ( 0.000 0.000 1.579) 1.579 14.620 ( 0.000 0.000 -4.954) 4.954 14.909 ( 0.000 0.000 -10.577) 10.577 14.967 ( 0.000 0.000 -11.132) 11.132 15.149 ( 0.000 0.000 0.470) 0.470 15.326 ( 0.000 0.000 5.455) 5.455 15.366 ( 0.000 0.000 -0.087) 0.087 15.374 ( 0.000 0.000 6.039) 6.039 15.881 ( 0.000 0.000 -2.782) 2.782 16.056 ( 0.000 0.000 -6.213) 6.213 16.531 ( 0.000 0.000 -8.451) 8.451 16.903 ( 0.000 0.000 -8.240) 8.240 17.147 ( 0.000 0.000 3.306) 3.306 17.674 ( 0.000 0.000 4.161) 4.161 18.165 ( 0.000 0.000 2.347) 2.347 18.471 ( 0.000 0.000 -1.539) 1.539 18.659 ( 0.000 0.000 -4.309) 4.309 18.878 ( 0.000 0.000 -17.566) 17.566 24.579 ( 0.000 0.000 -2.619) 2.619 24.696 ( 0.000 0.000 -1.269) 1.269 24.945 ( 0.000 0.000 -0.602) 0.602 25.541 ( 0.000 0.000 -14.713) 14.713 26.392 ( 0.000 0.000 3.197) 3.197 26.482 ( 0.000 0.000 0.287) 0.287 26.507 ( 0.000 0.000 2.907) 2.907 26.620 ( 0.000 0.000 6.017) 6.017 27.943 ( 0.000 0.000 -4.555) 4.555 28.091 ( 0.000 0.000 2.712) 2.712 28.102 ( 0.000 0.000 2.529) 2.529 28.159 ( 0.000 0.000 4.345) 4.345 28.287 ( 0.000 0.000 1.684) 1.684 28.350 ( 0.000 0.000 10.258) 10.258 28.387 ( 0.000 0.000 0.808) 0.808 28.436 ( 0.000 0.000 0.644) 0.644 28.656 ( 0.000 0.000 -0.973) 0.973 28.924 ( 0.000 0.000 6.961) 6.961 29.027 ( 0.000 0.000 6.035) 6.035 29.548 ( 0.000 0.000 -5.043) 5.043 29.800 ( 0.000 0.000 -3.402) 3.402 29.832 ( 0.000 0.000 7.339) 7.339 29.941 ( 0.000 0.000 1.237) 1.237 30.109 ( 0.000 0.000 0.295) 0.295 30.158 ( 0.000 0.000 1.895) 1.895 30.743 ( 0.000 0.000 -8.807) 8.807 30.775 ( 0.000 0.000 -2.584) 2.584 31.499 ( 0.000 0.000 -2.687) 2.687 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 20.576 0.000 22.098) 30.194 1.018 ( 19.477 0.000 29.530) 35.375 1.446 ( 26.811 0.000 37.108) 45.780 1.851 ( -20.464 0.000 9.060) 22.380 1.866 ( -16.498 0.000 11.661) 20.203 2.370 ( 7.554 0.000 -0.521) 7.572 2.514 ( -1.552 0.000 -4.357) 4.625 2.660 ( 6.006 0.000 11.965) 13.388 2.717 ( -7.538 0.000 14.739) 16.555 2.760 ( 0.600 0.000 2.942) 3.002 2.871 ( -6.286 0.000 0.098) 6.287 3.158 ( 5.691 0.000 -5.070) 7.621 3.304 ( -25.816 0.000 12.301) 28.597 3.312 ( -2.873 0.000 -7.743) 8.259 3.512 ( 0.202 0.000 -3.458) 3.464 3.551 ( -1.970 0.000 -1.552) 2.508 3.806 ( 11.168 0.000 -1.563) 11.277 3.981 ( 2.684 0.000 -7.685) 8.140 4.102 ( -0.796 0.000 -6.054) 6.106 4.151 ( -5.007 0.000 -2.084) 5.423 4.513 ( 7.312 0.000 -5.404) 9.092 4.562 ( 3.109 0.000 2.046) 3.722 4.687 ( -1.865 0.000 -6.029) 6.311 4.759 ( 15.429 0.000 -4.014) 15.943 4.777 ( -7.667 0.000 2.200) 7.977 5.095 ( 8.472 0.000 -0.668) 8.499 5.339 ( -8.874 0.000 -11.508) 14.532 5.395 ( -7.230 0.000 -1.342) 7.354 5.610 ( 4.106 0.000 2.709) 4.919 5.621 ( 1.859 0.000 -1.968) 2.708 5.629 ( 3.549 0.000 -1.858) 4.007 5.697 ( -1.515 0.000 -0.027) 1.515 5.718 ( 1.870 0.000 1.346) 2.304 5.727 ( -2.095 0.000 -2.416) 3.198 5.869 ( -0.694 0.000 0.208) 0.725 5.891 ( -0.958 0.000 0.921) 1.329 6.086 ( 6.599 0.000 -4.679) 8.089 6.225 ( 6.335 0.000 0.747) 6.379 6.391 ( -1.210 0.000 -2.464) 2.745 6.474 ( -2.303 0.000 1.859) 2.960 6.645 ( -0.101 0.000 5.599) 5.599 6.737 ( -6.987 0.000 -4.283) 8.195 7.007 ( 5.336 0.000 -5.241) 7.480 7.040 ( 2.336 0.000 -6.084) 6.517 7.187 ( -1.394 0.000 -1.631) 2.146 7.226 ( -2.449 0.000 0.624) 2.527 7.292 ( -2.144 0.000 1.083) 2.402 7.412 ( 5.784 0.000 2.485) 6.295 7.450 ( -6.095 0.000 -0.268) 6.101 7.615 ( 1.491 0.000 10.787) 10.889 7.638 ( 1.142 0.000 12.015) 12.070 7.663 ( -0.125 0.000 -0.997) 1.005 7.832 ( -8.305 0.000 9.969) 12.975 8.107 ( -20.626 0.000 12.143) 23.935 8.293 ( 3.265 0.000 7.377) 8.067 8.372 ( 0.910 0.000 1.400) 1.670 8.923 ( 3.889 0.000 -12.621) 13.206 9.031 ( 10.509 0.000 4.006) 11.246 9.216 ( 6.675 0.000 1.031) 6.754 9.335 ( -15.642 0.000 -8.277) 17.697 9.442 ( -4.582 0.000 -1.694) 4.885 9.569 ( -12.899 0.000 6.305) 14.358 10.203 ( 12.674 0.000 -13.395) 18.440 10.492 ( -2.698 0.000 -5.071) 5.744 10.564 ( 2.060 0.000 -4.416) 4.873 10.718 ( 6.114 0.000 -0.897) 6.180 10.768 ( -4.236 0.000 -1.121) 4.382 11.005 ( -5.901 0.000 -3.374) 6.797 11.460 ( 2.591 0.000 5.556) 6.130 11.761 ( -11.711 0.000 -3.140) 12.125 11.876 ( -2.850 0.000 2.693) 3.921 12.082 ( -11.252 0.000 -3.199) 11.698 12.230 ( 10.209 0.000 -2.235) 10.451 12.325 ( 12.071 0.000 0.748) 12.094 12.342 ( 12.476 0.000 -5.322) 13.564 12.529 ( 5.027 0.000 -3.949) 6.393 12.600 ( 11.599 0.000 -2.714) 11.912 12.796 ( -6.168 0.000 2.179) 6.542 12.896 ( -7.564 0.000 5.648) 9.440 13.070 ( -8.653 0.000 -1.789) 8.836 13.682 ( -3.119 0.000 7.372) 8.004 13.784 ( -5.896 0.000 8.594) 10.422 13.951 ( 2.122 0.000 6.952) 7.269 14.018 ( 0.495 0.000 7.770) 7.786 14.319 ( 12.404 0.000 -11.276) 16.763 14.516 ( 3.171 0.000 0.431) 3.200 14.601 ( 1.617 0.000 -1.233) 2.033 14.658 ( 1.546 0.000 -5.273) 5.495 14.916 ( 0.772 0.000 -10.388) 10.417 14.957 ( -0.975 0.000 -10.650) 10.694 15.181 ( 4.213 0.000 0.965) 4.323 15.335 ( 0.856 0.000 5.655) 5.719 15.370 ( -0.537 0.000 5.892) 5.916 15.522 ( -6.010 0.000 -2.097) 6.366 15.969 ( 25.118 0.000 -19.069) 31.536 16.155 ( 10.151 0.000 -6.556) 12.084 16.625 ( 0.746 0.000 -20.095) 20.109 16.695 ( -15.785 0.000 -6.496) 17.070 17.316 ( 11.682 0.000 1.788) 11.818 17.632 ( -4.536 0.000 3.775) 5.901 18.194 ( 3.417 0.000 2.480) 4.222 18.373 ( -6.304 0.000 3.719) 7.319 18.710 ( 3.814 0.000 -9.280) 10.033 18.863 ( -2.434 0.000 -16.288) 16.469 24.711 ( 2.514 0.000 -2.656) 3.657 24.766 ( 4.627 0.000 -10.051) 11.065 25.075 ( 16.066 0.000 -10.593) 19.244 25.497 ( -4.877 0.000 -15.024) 15.796 26.398 ( 0.693 0.000 2.314) 2.415 26.449 ( -2.017 0.000 0.578) 2.098 26.544 ( 2.583 0.000 3.311) 4.199 26.615 ( -0.722 0.000 5.325) 5.374 27.954 ( 1.311 0.000 -3.056) 3.326 28.089 ( -0.184 0.000 2.665) 2.671 28.096 ( -0.525 0.000 2.545) 2.599 28.108 ( -5.957 0.000 4.839) 7.675 28.292 ( -2.938 0.000 7.784) 8.320 28.303 ( 1.650 0.000 1.541) 2.258 28.341 ( -2.796 0.000 8.132) 8.599 28.397 ( -3.082 0.000 0.800) 3.184 28.757 ( 9.669 0.000 -1.181) 9.741 28.952 ( 2.624 0.000 7.627) 8.066 29.029 ( -0.436 0.000 7.270) 7.283 29.286 ( -17.639 0.000 -3.119) 17.913 29.845 ( 1.480 0.000 8.154) 8.287 29.965 ( 1.044 0.000 2.000) 2.256 30.029 ( -5.396 0.000 8.495) 10.064 30.079 ( 19.343 0.000 -5.518) 20.115 30.123 ( -2.945 0.000 2.254) 3.708 30.656 ( -9.254 0.000 -8.383) 12.486 30.800 ( 2.802 0.000 -1.272) 3.077 31.127 ( -21.157 0.000 13.696) 25.203 ======================= Grid point 37 (15/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -25.469 0.000 12.370) 28.314 1.313 ( 25.469 0.000 12.370) 28.314 1.434 ( -23.798 0.000 17.055) 29.278 1.434 ( 23.798 0.000 17.055) 29.278 2.198 ( -34.470 0.000 23.589) 41.769 2.198 ( 34.470 0.000 23.589) 41.769 2.468 ( -3.577 0.000 -3.147) 4.764 2.468 ( 3.577 0.000 -3.147) 4.764 2.788 ( -2.762 0.000 2.307) 3.599 2.788 ( 2.762 0.000 2.307) 3.599 2.944 ( -14.792 0.000 13.389) 19.952 2.944 ( 14.792 0.000 13.389) 19.952 3.248 ( -4.088 0.000 -7.075) 8.171 3.248 ( 4.088 0.000 -7.075) 8.171 3.523 ( -1.078 0.000 -2.454) 2.681 3.523 ( 1.078 0.000 -2.454) 2.681 4.011 ( -9.940 0.000 -1.872) 10.115 4.011 ( 9.940 0.000 -1.872) 10.115 4.047 ( -3.992 0.000 -8.336) 9.243 4.047 ( 3.992 0.000 -8.336) 9.243 4.618 ( -4.715 0.000 -6.119) 7.725 4.618 ( 4.715 0.000 -6.119) 7.725 4.648 ( -6.084 0.000 2.299) 6.504 4.648 ( 6.084 0.000 2.299) 6.504 5.089 ( -17.028 0.000 -6.754) 18.319 5.089 ( 17.028 0.000 -6.754) 18.319 5.250 ( -8.249 0.000 -0.766) 8.284 5.250 ( 8.249 0.000 -0.766) 8.284 5.648 ( -2.102 0.000 1.639) 2.666 5.648 ( 2.102 0.000 1.639) 2.666 5.683 ( -2.533 0.000 -2.379) 3.475 5.683 ( 2.533 0.000 -2.379) 3.475 5.699 ( -3.539 0.000 1.098) 3.706 5.699 ( 3.539 0.000 1.098) 3.706 5.871 ( -0.871 0.000 0.876) 1.236 5.871 ( 0.871 0.000 0.876) 1.236 6.228 ( -6.444 0.000 -4.661) 7.953 6.228 ( 6.444 0.000 -4.661) 7.953 6.425 ( -4.338 0.000 -2.260) 4.891 6.425 ( 4.338 0.000 -2.260) 4.891 6.646 ( -1.579 0.000 1.077) 1.912 6.646 ( 1.579 0.000 1.077) 1.912 7.071 ( -0.909 0.000 -6.480) 6.544 7.071 ( 0.909 0.000 -6.480) 6.544 7.184 ( -1.560 0.000 0.549) 1.654 7.184 ( 1.560 0.000 0.549) 1.654 7.322 ( -6.070 0.000 1.145) 6.177 7.322 ( 6.070 0.000 1.145) 6.177 7.556 ( -8.766 0.000 6.804) 11.097 7.556 ( 8.766 0.000 6.804) 11.097 7.640 ( -0.933 0.000 11.315) 11.354 7.640 ( 0.933 0.000 11.315) 11.354 7.847 ( -8.255 0.000 5.397) 9.862 7.847 ( 8.255 0.000 5.397) 9.862 8.357 ( -2.748 0.000 3.659) 4.576 8.357 ( 2.748 0.000 3.659) 4.576 9.068 ( -11.900 0.000 -10.090) 15.601 9.068 ( 11.900 0.000 -10.090) 15.601 9.272 ( -13.792 0.000 4.824) 14.611 9.272 ( 13.792 0.000 4.824) 14.611 9.360 ( -8.168 0.000 0.392) 8.177 9.360 ( 8.168 0.000 0.392) 8.177 10.400 ( -7.791 0.000 -8.572) 11.583 10.400 ( 7.791 0.000 -8.572) 11.583 10.663 ( -6.525 0.000 -2.979) 7.173 10.663 ( 6.525 0.000 -2.979) 7.173 10.863 ( -8.516 0.000 -2.159) 8.785 10.863 ( 8.516 0.000 -2.159) 8.785 11.564 ( -8.678 0.000 -0.573) 8.697 11.564 ( 8.678 0.000 -0.573) 8.697 11.907 ( -6.275 0.000 -0.817) 6.328 11.907 ( 6.275 0.000 -0.817) 6.328 12.412 ( -6.284 0.000 -4.574) 7.773 12.412 ( 6.284 0.000 -4.574) 7.773 12.517 ( -6.596 0.000 -2.352) 7.003 12.517 ( 6.596 0.000 -2.352) 7.003 12.734 ( -6.931 0.000 7.065) 9.897 12.734 ( 6.931 0.000 7.065) 9.897 12.874 ( -11.039 0.000 -2.969) 11.432 12.874 ( 11.039 0.000 -2.969) 11.432 13.679 ( -3.425 0.000 9.617) 10.209 13.679 ( 3.425 0.000 9.617) 10.209 14.000 ( -2.217 0.000 6.525) 6.891 14.000 ( 2.217 0.000 6.525) 6.891 14.484 ( -5.914 0.000 -5.123) 7.824 14.484 ( 5.914 0.000 -5.123) 7.824 14.642 ( -2.285 0.000 -1.978) 3.023 14.642 ( 2.285 0.000 -1.978) 3.023 14.935 ( -1.224 0.000 -10.220) 10.293 14.935 ( 1.224 0.000 -10.220) 10.293 15.317 ( -10.555 0.000 2.226) 10.787 15.317 ( 10.555 0.000 2.226) 10.787 15.354 ( -1.106 0.000 5.795) 5.899 15.354 ( 1.106 0.000 5.795) 5.899 16.400 ( -15.421 0.000 -6.735) 16.827 16.400 ( 15.421 0.000 -6.735) 16.827 16.436 ( -19.830 0.000 -22.817) 30.230 16.436 ( 19.830 0.000 -22.817) 30.230 17.508 ( -8.739 0.000 2.766) 9.166 17.508 ( 8.739 0.000 2.766) 9.166 18.276 ( -4.773 0.000 3.393) 5.856 18.276 ( 4.773 0.000 3.393) 5.856 18.791 ( -4.702 0.000 -13.466) 14.263 18.791 ( 4.702 0.000 -13.466) 14.263 24.760 ( -2.518 0.000 -4.179) 4.879 24.760 ( 2.518 0.000 -4.179) 4.879 25.351 ( -11.374 0.000 -16.114) 19.724 25.351 ( 11.374 0.000 -16.114) 19.724 26.417 ( -1.408 0.000 0.961) 1.705 26.417 ( 1.408 0.000 0.961) 1.705 26.589 ( -2.068 0.000 4.424) 4.883 26.589 ( 2.068 0.000 4.424) 4.883 28.001 ( -4.206 0.000 1.429) 4.442 28.001 ( 4.206 0.000 1.429) 4.442 28.088 ( -0.211 0.000 2.590) 2.598 28.088 ( 0.211 0.000 2.590) 2.598 28.293 ( -1.962 0.000 8.076) 8.310 28.293 ( 1.962 0.000 8.076) 8.310 28.343 ( -2.589 0.000 1.190) 2.849 28.343 ( 2.589 0.000 1.190) 2.849 28.984 ( -14.645 0.000 -1.886) 14.766 28.984 ( 14.645 0.000 -1.886) 14.766 29.002 ( -2.384 0.000 8.298) 8.634 29.002 ( 2.384 0.000 8.298) 8.634 29.895 ( -4.190 0.000 10.068) 10.905 29.895 ( 4.190 0.000 10.068) 10.905 30.056 ( -3.975 0.000 2.577) 4.737 30.056 ( 3.975 0.000 2.577) 4.737 30.415 ( -16.283 0.000 -7.215) 17.810 30.415 ( 16.283 0.000 -7.215) 17.810 30.887 ( -7.264 0.000 4.201) 8.391 30.887 ( 7.264 0.000 4.201) 8.391 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 20.370 21.923) 29.926 0.927 ( 0.000 19.913 21.037) 28.966 1.644 ( 0.000 35.651 34.249) 49.437 2.139 ( 0.000 3.309 5.920) 6.782 2.208 ( 0.000 3.959 6.269) 7.415 2.269 ( 0.000 5.680 2.529) 6.217 2.546 ( 0.000 7.434 10.167) 12.595 2.625 ( 0.000 6.527 -3.932) 7.620 2.669 ( 0.000 -8.096 4.048) 9.052 2.835 ( 0.000 -0.730 7.272) 7.309 2.935 ( 0.000 -3.406 0.562) 3.452 3.004 ( 0.000 -4.244 -1.953) 4.672 3.241 ( 0.000 -9.376 -5.660) 10.952 3.502 ( 0.000 -0.284 -3.892) 3.902 3.571 ( 0.000 -1.251 -0.546) 1.365 3.620 ( 0.000 -3.130 0.241) 3.140 3.727 ( 0.000 0.974 4.580) 4.682 3.984 ( 0.000 4.138 -3.440) 5.381 4.033 ( 0.000 -1.376 -2.110) 2.519 4.182 ( 0.000 -1.336 -3.134) 3.407 4.466 ( 0.000 6.644 -2.446) 7.080 4.555 ( 0.000 3.080 0.146) 3.083 4.620 ( 0.000 1.133 -1.264) 1.698 4.686 ( 0.000 -3.189 -4.756) 5.726 4.935 ( 0.000 2.655 3.148) 4.118 5.005 ( 0.000 3.526 -2.520) 4.334 5.144 ( 0.000 -14.638 -6.769) 16.127 5.443 ( 0.000 -10.705 0.003) 10.705 5.470 ( 0.000 -14.575 -1.423) 14.644 5.532 ( 0.000 1.623 -1.611) 2.287 5.623 ( 0.000 3.460 1.912) 3.953 5.665 ( 0.000 2.926 -5.291) 6.046 5.689 ( 0.000 1.879 -1.164) 2.210 5.775 ( 0.000 2.334 0.902) 2.502 5.913 ( 0.000 2.385 3.602) 4.320 5.930 ( 0.000 3.900 -4.916) 6.275 6.108 ( 0.000 -3.210 12.906) 13.299 6.227 ( 0.000 6.034 -4.484) 7.517 6.393 ( 0.000 -0.389 -1.144) 1.208 6.457 ( 0.000 -4.250 -2.386) 4.874 6.597 ( 0.000 -2.742 7.479) 7.966 6.829 ( 0.000 0.251 -2.128) 2.143 6.909 ( 0.000 -9.877 -0.405) 9.885 7.017 ( 0.000 -1.648 0.438) 1.705 7.043 ( 0.000 0.247 5.123) 5.129 7.201 ( 0.000 -3.868 1.769) 4.254 7.235 ( 0.000 -7.475 14.256) 16.097 7.402 ( 0.000 2.911 -3.112) 4.262 7.421 ( 0.000 0.556 1.063) 1.200 7.509 ( 0.000 -3.884 -0.626) 3.935 7.606 ( 0.000 2.168 4.499) 4.994 7.826 ( 0.000 -6.442 1.583) 6.634 8.022 ( 0.000 23.068 6.388) 23.936 8.412 ( 0.000 11.111 7.620) 13.472 8.415 ( 0.000 5.234 -2.260) 5.701 8.783 ( 0.000 13.276 -22.024) 25.716 8.894 ( 0.000 1.563 -10.481) 10.597 8.998 ( 0.000 5.961 1.989) 6.284 9.110 ( 0.000 -4.331 3.309) 5.450 9.441 ( 0.000 -3.770 -5.473) 6.646 9.526 ( 0.000 -0.540 -4.692) 4.723 9.610 ( 0.000 -6.477 2.781) 7.049 9.947 ( 0.000 -8.136 -15.585) 17.581 10.331 ( 0.000 -13.256 -0.129) 13.257 10.603 ( 0.000 -2.720 0.687) 2.806 10.728 ( 0.000 1.188 -7.072) 7.171 10.820 ( 0.000 2.794 -3.972) 4.856 11.028 ( 0.000 -0.666 -4.351) 4.402 11.493 ( 0.000 4.316 8.590) 9.614 11.753 ( 0.000 -11.393 1.577) 11.502 11.954 ( 0.000 -2.948 -2.831) 4.087 12.007 ( 0.000 1.547 2.104) 2.611 12.103 ( 0.000 -6.371 -5.567) 8.460 12.187 ( 0.000 6.647 0.505) 6.666 12.304 ( 0.000 3.473 -1.769) 3.898 12.476 ( 0.000 3.508 0.751) 3.587 12.642 ( 0.000 12.591 -3.135) 12.976 12.882 ( 0.000 -1.893 0.978) 2.131 12.906 ( 0.000 0.470 4.654) 4.678 13.032 ( 0.000 -8.956 -0.705) 8.984 13.782 ( 0.000 3.979 2.434) 4.665 13.902 ( 0.000 -5.534 2.297) 5.992 13.975 ( 0.000 -0.593 8.575) 8.596 14.055 ( 0.000 8.452 -8.623) 12.075 14.085 ( 0.000 4.439 6.415) 7.801 14.405 ( 0.000 -2.708 1.738) 3.218 14.517 ( 0.000 -4.977 1.697) 5.258 14.601 ( 0.000 -1.572 -2.129) 2.647 14.920 ( 0.000 -3.168 -7.417) 8.065 14.992 ( 0.000 6.550 -9.383) 11.443 15.171 ( 0.000 4.225 -2.233) 4.778 15.318 ( 0.000 -1.271 -0.912) 1.564 15.457 ( 0.000 3.965 4.092) 5.698 15.585 ( 0.000 12.319 0.236) 12.321 15.612 ( 0.000 -13.767 1.912) 13.899 16.040 ( 0.000 -23.238 6.771) 24.205 16.406 ( 0.000 21.286 -7.573) 22.593 17.160 ( 0.000 1.306 3.061) 3.328 17.322 ( 0.000 12.789 -22.038) 25.480 17.633 ( 0.000 -4.663 -0.302) 4.673 18.205 ( 0.000 4.456 2.634) 5.176 18.394 ( 0.000 -3.673 2.694) 4.555 18.638 ( 0.000 -2.081 -4.503) 4.960 18.820 ( 0.000 -5.355 -15.153) 16.071 24.590 ( 0.000 1.094 -2.243) 2.496 24.689 ( 0.000 -0.611 -1.241) 1.383 24.926 ( 0.000 -1.592 -0.816) 1.789 25.316 ( 0.000 -13.832 -4.411) 14.518 26.388 ( 0.000 0.699 3.429) 3.500 26.475 ( 0.000 -0.629 0.779) 1.001 26.481 ( 0.000 -1.733 3.249) 3.683 26.587 ( 0.000 -2.707 5.218) 5.879 27.921 ( 0.000 -1.250 -1.516) 1.965 28.061 ( 0.000 -1.820 6.432) 6.685 28.124 ( 0.000 -0.939 3.123) 3.261 28.219 ( 0.000 -2.559 5.253) 5.843 28.252 ( 0.000 10.393 0.868) 10.429 28.361 ( 0.000 4.226 1.129) 4.375 28.511 ( 0.000 9.525 3.509) 10.151 28.646 ( 0.000 -0.691 -0.288) 0.749 28.752 ( 0.000 12.069 -8.336) 14.668 28.958 ( 0.000 3.636 5.647) 6.717 29.016 ( 0.000 -1.129 5.205) 5.326 29.502 ( 0.000 -4.225 -3.666) 5.594 29.780 ( 0.000 -1.586 -2.699) 3.130 29.803 ( 0.000 -2.535 5.465) 6.024 29.946 ( 0.000 0.481 1.273) 1.361 30.105 ( 0.000 -1.590 1.624) 2.273 30.187 ( 0.000 4.035 0.283) 4.045 30.741 ( 0.000 -3.422 -3.030) 4.571 30.757 ( 0.000 1.337 -8.553) 8.657 31.221 ( 0.000 -15.078 5.934) 16.204 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 17.340 19.278 14.220) 29.572 1.110 ( 17.924 12.727 20.831) 30.285 1.773 ( 1.019 19.611 18.729) 27.136 1.909 ( -20.583 5.387 8.937) 23.077 1.995 ( 0.290 15.707 15.914) 22.362 2.440 ( 7.058 4.366 0.760) 8.334 2.582 ( -2.734 6.080 -2.551) 7.138 2.668 ( 0.705 -7.350 3.691) 8.255 2.727 ( 9.902 4.608 8.723) 13.977 2.782 ( -5.035 3.373 9.081) 10.918 2.842 ( -5.304 -0.678 2.861) 6.064 3.063 ( 3.200 -7.129 -3.019) 8.377 3.207 ( -2.788 -9.428 -6.490) 11.781 3.385 ( -21.103 5.430 7.309) 22.983 3.501 ( -2.749 -0.412 -0.250) 2.791 3.528 ( -1.825 -1.324 -1.151) 2.532 3.777 ( 11.454 -1.642 -0.896) 11.606 4.013 ( 1.778 2.194 -4.984) 5.729 4.075 ( -0.880 -1.661 -4.571) 4.943 4.148 ( -3.433 -0.872 -2.306) 4.227 4.494 ( 3.764 0.403 -4.345) 5.762 4.615 ( 3.047 3.537 2.346) 5.225 4.654 ( -2.179 -3.029 -5.504) 6.650 4.733 ( 8.772 -0.367 -1.533) 8.913 4.826 ( -4.780 2.309 0.633) 5.346 5.091 ( -4.774 -13.178 -5.987) 15.241 5.153 ( 10.270 4.837 -0.491) 11.363 5.443 ( 0.284 -10.455 -0.902) 10.498 5.454 ( -0.736 -13.658 -2.035) 13.828 5.556 ( -7.263 4.753 -2.517) 9.037 5.641 ( 1.700 2.573 2.726) 4.116 5.684 ( 7.603 1.921 -2.504) 8.232 5.739 ( 0.637 2.658 1.385) 3.064 5.775 ( 3.156 -0.730 -2.407) 4.036 5.877 ( -2.554 1.131 1.936) 3.399 5.948 ( -0.319 4.778 -1.167) 4.928 6.128 ( 3.201 -1.297 6.000) 6.923 6.240 ( 1.434 0.551 -3.432) 3.760 6.381 ( -1.581 -0.818 -2.247) 2.866 6.421 ( -2.900 -4.019 -1.792) 5.271 6.604 ( 0.724 -2.706 5.897) 6.529 6.720 ( -7.364 -0.535 -0.646) 7.412 6.920 ( 1.764 -9.650 -0.207) 9.812 7.080 ( 6.149 0.414 -0.946) 6.235 7.088 ( -1.446 4.021 -4.030) 5.873 7.220 ( 0.527 0.272 0.007) 0.593 7.265 ( 4.239 -8.527 15.723) 18.382 7.345 ( -0.949 -3.135 4.884) 5.881 7.418 ( -0.669 0.869 -0.938) 1.443 7.551 ( 1.962 -4.072 1.758) 4.850 7.582 ( -2.736 -0.702 4.230) 5.086 7.772 ( -5.611 -6.242 1.252) 8.486 8.025 ( 1.534 25.029 4.641) 25.502 8.393 ( -11.681 15.705 1.189) 19.609 8.438 ( 2.075 8.141 -0.250) 8.405 8.501 ( -9.743 14.189 -0.514) 17.220 8.912 ( 2.566 -0.119 -10.862) 11.162 9.083 ( 8.596 3.996 2.352) 9.767 9.160 ( 2.705 -4.517 1.419) 5.453 9.313 ( -9.625 -2.172 -8.145) 12.794 9.444 ( -5.610 -0.104 -1.639) 5.846 9.540 ( -8.510 -1.982 3.890) 9.564 10.093 ( 11.125 -9.911 -11.624) 18.897 10.324 ( -1.096 -12.623 -1.588) 12.769 10.617 ( 1.792 -0.201 -3.779) 4.187 10.727 ( 3.606 2.176 -5.360) 6.817 10.786 ( -2.911 1.333 -2.764) 4.230 10.987 ( -5.112 -0.918 -3.677) 6.364 11.446 ( -0.307 0.237 6.160) 6.172 11.649 ( -7.861 -5.609 -0.182) 9.659 11.942 ( -2.409 4.585 1.485) 5.388 12.065 ( -3.850 -3.610 -7.920) 9.518 12.182 ( 10.312 -3.869 -1.389) 11.101 12.339 ( 5.073 7.295 -1.938) 9.094 12.412 ( 16.030 0.881 -3.016) 16.335 12.543 ( 7.600 -2.402 3.351) 8.646 12.710 ( 3.255 8.328 -3.887) 9.750 12.788 ( -6.709 -0.171 2.088) 7.028 12.885 ( -3.492 1.680 2.914) 4.848 12.984 ( -4.855 -6.200 -0.780) 7.913 13.718 ( -4.140 2.480 4.085) 6.323 13.827 ( -8.162 2.290 4.789) 9.736 13.958 ( 2.226 1.870 6.467) 7.091 14.023 ( 0.983 0.496 7.619) 7.698 14.290 ( 8.947 -2.308 -9.352) 13.147 14.448 ( 1.944 -5.640 0.482) 5.985 14.542 ( 2.372 -4.938 0.639) 5.515 14.602 ( -0.143 -3.336 -4.245) 5.401 14.935 ( 1.616 -1.283 -6.866) 7.169 14.999 ( -0.145 6.413 -8.157) 10.377 15.188 ( 3.478 2.086 0.731) 4.121 15.344 ( 2.088 0.120 -0.074) 2.093 15.424 ( -2.016 4.098 4.293) 6.268 15.529 ( -8.848 -3.025 2.531) 9.687 15.762 ( 12.748 -7.421 -4.937) 15.555 16.017 ( 0.263 -21.839 0.186) 21.842 16.552 ( 12.231 17.469 -9.962) 23.538 17.044 ( -9.252 8.988 -9.185) 15.835 17.421 ( 6.427 6.176 -10.018) 13.409 17.610 ( -2.677 -3.161 -0.811) 4.221 18.211 ( 1.376 2.769 3.637) 4.773 18.335 ( -4.360 -1.962 3.970) 6.214 18.666 ( 2.592 -3.555 -6.637) 7.963 18.799 ( -2.597 -5.633 -13.614) 14.961 24.704 ( 3.249 -0.653 -2.817) 4.349 24.741 ( 6.392 -1.800 -7.313) 9.879 24.969 ( 7.503 -6.658 -2.151) 10.259 25.286 ( -3.609 -13.956 -6.068) 15.641 26.391 ( 0.414 0.407 3.181) 3.233 26.437 ( -2.050 -0.780 1.857) 2.874 26.520 ( 2.131 -1.695 2.840) 3.934 26.579 ( -0.830 -2.682 4.820) 5.578 27.939 ( 1.983 -0.809 -0.583) 2.220 28.054 ( -1.688 -0.666 4.883) 5.209 28.114 ( -0.082 -1.910 4.421) 4.817 28.191 ( -2.547 -0.619 5.104) 5.738 28.266 ( 1.106 8.086 1.150) 8.242 28.332 ( -2.406 5.650 0.759) 6.188 28.511 ( 0.203 9.983 2.337) 10.254 28.606 ( -4.728 7.428 -2.495) 9.152 28.789 ( 6.319 4.312 -2.765) 8.134 28.981 ( 2.108 2.642 5.968) 6.858 29.037 ( 0.940 0.344 5.137) 5.233 29.274 ( -15.601 -1.129 -2.131) 15.786 29.821 ( 2.854 -1.830 6.749) 7.553 29.963 ( 1.725 -0.536 0.768) 1.963 29.993 ( 6.762 -1.980 -1.027) 7.120 30.075 ( 0.483 -0.550 4.183) 4.247 30.196 ( 4.177 5.511 -1.251) 7.028 30.667 ( -9.425 1.145 -7.827) 12.304 30.761 ( 2.269 -3.784 -1.785) 4.759 31.029 ( -14.096 -7.213 7.966) 17.726 ======================= Grid point 42 (18/72) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -20.311 12.852 8.963) 25.652 1.465 ( 20.311 12.852 8.963) 25.652 1.504 ( -20.960 7.868 15.037) 26.969 1.504 ( 20.960 7.868 15.037) 26.969 2.330 ( -20.521 11.285 12.348) 26.475 2.330 ( 20.521 11.285 12.348) 26.475 2.595 ( -5.713 6.414 0.955) 8.642 2.595 ( 5.713 6.414 0.955) 8.642 2.743 ( -2.375 -1.876 3.275) 4.459 2.743 ( 2.375 -1.876 3.275) 4.459 2.989 ( -13.666 4.387 12.456) 19.003 2.989 ( 13.666 4.387 12.456) 19.003 3.160 ( -1.241 -7.356 -5.717) 9.399 3.160 ( 1.241 -7.356 -5.717) 9.399 3.499 ( -1.172 -1.741 -1.429) 2.539 3.499 ( 1.172 -1.741 -1.429) 2.539 3.974 ( -8.615 -1.988 -3.157) 9.388 3.974 ( 8.615 -1.988 -3.157) 9.388 4.074 ( -3.730 1.465 -3.857) 5.562 4.074 ( 3.730 1.465 -3.857) 5.562 4.581 ( -4.839 -2.591 -5.471) 7.750 4.581 ( 4.839 -2.591 -5.471) 7.750 4.691 ( -5.056 3.326 2.104) 6.408 4.691 ( 5.056 3.326 2.104) 6.408 4.955 ( -9.359 -8.904 -4.177) 13.576 4.955 ( 9.359 -8.904 -4.177) 13.576 5.366 ( -11.215 5.961 -2.239) 12.897 5.366 ( 11.215 5.961 -2.239) 12.897 5.452 ( -0.746 -10.427 -1.374) 10.543 5.452 ( 0.746 -10.427 -1.374) 10.543 5.686 ( -2.902 1.737 3.206) 4.660 5.686 ( 2.902 1.737 3.206) 4.660 5.792 ( -3.876 2.918 -0.073) 4.852 5.792 ( 3.876 2.918 -0.073) 4.852 5.898 ( -4.490 1.240 0.714) 4.712 5.898 ( 4.490 1.240 0.714) 4.712 6.223 ( -4.811 -1.793 -1.593) 5.375 6.223 ( 4.811 -1.793 -1.593) 5.375 6.373 ( -2.076 -3.644 -3.871) 5.707 6.373 ( 2.076 -3.644 -3.871) 5.707 6.629 ( -2.523 -1.071 2.159) 3.489 6.629 ( 2.523 -1.071 2.159) 3.489 6.985 ( -5.702 -3.525 -2.738) 7.241 6.985 ( 5.702 -3.525 -2.738) 7.241 7.196 ( -4.308 0.515 -0.393) 4.357 7.196 ( 4.308 0.515 -0.393) 4.357 7.356 ( -4.150 0.314 5.917) 7.234 7.356 ( 4.150 0.314 5.917) 7.234 7.442 ( -9.922 -5.225 8.134) 13.853 7.442 ( 9.922 -5.225 8.134) 13.853 7.649 ( -6.815 -4.993 -0.072) 8.449 7.649 ( 6.815 -4.993 -0.072) 8.449 8.119 ( -9.666 23.828 2.168) 25.805 8.119 ( 9.666 23.828 2.168) 25.805 8.477 ( -1.283 9.619 2.337) 9.981 8.477 ( 1.283 9.619 2.337) 9.981 9.025 ( -9.885 -3.425 -8.337) 13.377 9.025 ( 9.885 -3.425 -8.337) 13.377 9.280 ( -10.170 0.116 2.918) 10.581 9.280 ( 10.170 0.116 2.918) 10.581 9.367 ( -7.198 0.838 0.066) 7.247 9.367 ( 7.198 0.838 0.066) 7.247 10.262 ( -6.277 -11.765 -6.186) 14.700 10.262 ( 6.277 -11.765 -6.186) 14.700 10.688 ( -5.143 0.525 -4.141) 6.624 10.688 ( 5.143 0.525 -4.141) 6.624 10.862 ( -7.594 0.379 -3.429) 8.340 10.862 ( 7.594 0.379 -3.429) 8.340 11.507 ( -6.364 -2.390 0.793) 6.844 11.507 ( 6.364 -2.390 0.793) 6.844 11.961 ( -4.543 3.286 -2.015) 5.958 11.961 ( 4.543 3.286 -2.015) 5.958 12.359 ( -5.740 -1.843 -3.822) 7.138 12.359 ( 5.740 -1.843 -3.822) 7.138 12.629 ( -7.151 4.813 -2.569) 8.994 12.629 ( 7.151 4.813 -2.569) 8.994 12.697 ( -6.624 -3.415 6.347) 9.789 12.697 ( 6.624 -3.415 6.347) 9.789 12.882 ( -4.751 2.147 -2.692) 5.867 12.882 ( 4.751 2.147 -2.692) 5.867 13.706 ( -3.561 2.617 6.174) 7.593 13.706 ( 3.561 2.617 6.174) 7.593 14.009 ( -2.311 1.207 7.037) 7.505 14.009 ( 2.311 1.207 7.037) 7.505 14.417 ( -4.926 -5.990 -4.356) 8.895 14.417 ( 4.926 -5.990 -4.356) 8.895 14.584 ( -1.892 -4.297 -2.801) 5.467 14.584 ( 1.892 -4.297 -2.801) 5.467 14.973 ( -2.197 2.973 -6.771) 7.714 14.973 ( 2.197 2.973 -6.771) 7.714 15.319 ( -9.309 1.050 3.439) 9.980 15.319 ( 9.309 1.050 3.439) 9.980 15.394 ( -1.665 2.158 1.812) 3.274 15.394 ( 1.665 2.158 1.812) 3.274 15.961 ( -7.775 -19.772 -4.228) 21.662 15.961 ( 7.775 -19.772 -4.228) 21.662 16.817 ( -15.016 15.428 -13.862) 25.606 16.817 ( 15.016 15.428 -13.862) 25.606 17.532 ( -5.496 0.764 -2.731) 6.184 17.532 ( 5.496 0.764 -2.731) 6.184 18.262 ( -3.602 -0.163 4.046) 5.419 18.262 ( 3.602 -0.163 4.046) 5.419 18.731 ( -4.200 -5.178 -10.424) 12.374 18.731 ( 4.200 -5.178 -10.424) 12.374 24.756 ( -2.399 -0.240 -3.860) 4.551 24.756 ( 2.399 -0.240 -3.860) 4.551 25.166 ( -9.681 -13.499 -8.111) 18.486 25.166 ( 9.681 -13.499 -8.111) 18.486 26.406 ( -1.243 -0.269 2.446) 2.757 26.406 ( 1.243 -0.269 2.446) 2.757 26.556 ( -1.690 -2.316 3.892) 4.834 26.556 ( 1.690 -2.316 3.892) 4.834 27.994 ( -3.746 -0.200 1.825) 4.171 27.994 ( 3.746 -0.200 1.825) 4.171 28.141 ( -2.515 -1.194 5.432) 6.104 28.141 ( 2.515 -1.194 5.432) 6.104 28.292 ( -1.803 7.159 0.771) 7.423 28.292 ( 1.803 7.159 0.771) 7.423 28.533 ( -2.484 10.413 -0.152) 10.706 28.533 ( 2.484 10.413 -0.152) 10.706 28.953 ( -8.730 -1.032 0.425) 8.801 28.953 ( 8.730 -1.032 0.425) 8.801 29.062 ( -4.437 3.320 4.099) 6.893 29.062 ( 4.437 3.320 4.099) 6.893 29.898 ( -5.323 0.620 7.025) 8.835 29.898 ( 5.323 0.620 7.025) 8.835 30.058 ( -3.391 -0.078 1.916) 3.896 30.058 ( 3.391 -0.078 1.916) 3.896 30.430 ( -15.374 1.558 -6.024) 16.585 30.430 ( 15.374 1.558 -6.024) 16.585 30.837 ( -6.609 -4.453 2.361) 8.312 30.837 ( 6.609 -4.453 2.361) 8.312 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 25.686 10.470) 27.738 1.482 ( 0.000 29.983 0.449) 29.986 2.209 ( 0.000 0.938 2.174) 2.368 2.226 ( 0.000 9.472 2.393) 9.770 2.332 ( 0.000 10.072 4.754) 11.138 2.337 ( 0.000 0.550 8.199) 8.217 2.427 ( 0.000 -6.596 7.473) 9.968 2.592 ( 0.000 -14.668 -7.468) 16.460 2.775 ( 0.000 -1.041 0.008) 1.041 2.855 ( 0.000 16.687 9.396) 19.150 2.918 ( 0.000 0.516 9.115) 9.130 2.953 ( 0.000 1.333 0.012) 1.333 3.001 ( 0.000 -10.304 -0.780) 10.333 3.505 ( 0.000 -1.727 0.055) 1.728 3.593 ( 0.000 1.435 3.101) 3.417 3.594 ( 0.000 5.203 -1.014) 5.301 3.743 ( 0.000 0.221 2.083) 2.095 3.960 ( 0.000 -5.588 -1.020) 5.680 4.068 ( 0.000 4.163 -1.139) 4.316 4.172 ( 0.000 1.224 -4.487) 4.651 4.554 ( 0.000 -3.588 -6.039) 7.024 4.617 ( 0.000 -0.770 0.782) 1.098 4.643 ( 0.000 -0.837 2.168) 2.324 4.657 ( 0.000 3.513 0.180) 3.517 4.863 ( 0.000 -4.900 -0.197) 4.904 4.999 ( 0.000 1.643 3.074) 3.486 5.113 ( 0.000 3.795 -0.432) 3.819 5.174 ( 0.000 -10.605 -0.401) 10.613 5.276 ( 0.000 -3.884 1.132) 4.046 5.570 ( 0.000 1.932 -1.924) 2.726 5.686 ( 0.000 -3.404 -1.982) 3.939 5.688 ( 0.000 -1.769 -2.890) 3.388 5.733 ( 0.000 6.450 2.337) 6.860 5.759 ( 0.000 -0.390 -3.205) 3.229 5.925 ( 0.000 -3.870 -5.274) 6.541 5.962 ( 0.000 -2.080 4.035) 4.540 6.082 ( 0.000 4.156 8.007) 9.021 6.270 ( 0.000 -1.019 -0.311) 1.065 6.388 ( 0.000 -0.103 0.367) 0.381 6.405 ( 0.000 -0.637 -1.980) 2.080 6.553 ( 0.000 -1.288 4.526) 4.706 6.674 ( 0.000 -8.749 0.920) 8.797 6.855 ( 0.000 1.342 5.299) 5.466 6.979 ( 0.000 -4.585 22.041) 22.513 7.065 ( 0.000 3.280 0.798) 3.376 7.142 ( 0.000 -2.138 3.685) 4.260 7.191 ( 0.000 0.793 -1.636) 1.818 7.348 ( 0.000 -6.649 -7.114) 9.738 7.452 ( 0.000 2.351 -0.777) 2.477 7.526 ( 0.000 4.280 0.601) 4.322 7.654 ( 0.000 1.054 -1.639) 1.949 7.667 ( 0.000 -7.307 0.531) 7.326 8.513 ( 0.000 18.305 1.354) 18.355 8.544 ( 0.000 6.367 -5.114) 8.167 8.632 ( 0.000 10.386 4.890) 11.479 8.963 ( 0.000 6.932 -16.692) 18.074 8.991 ( 0.000 9.054 -8.065) 12.125 8.996 ( 0.000 -6.280 4.324) 7.624 9.187 ( 0.000 13.049 2.667) 13.319 9.328 ( 0.000 -6.827 -8.507) 10.908 9.514 ( 0.000 -3.984 0.687) 4.043 9.519 ( 0.000 0.288 -3.197) 3.210 9.730 ( 0.000 -12.029 -11.106) 16.372 9.992 ( 0.000 -19.585 1.040) 19.613 10.557 ( 0.000 -0.971 -0.324) 1.024 10.682 ( 0.000 -4.839 -6.178) 7.847 10.908 ( 0.000 4.137 -6.254) 7.499 11.011 ( 0.000 -1.066 -4.904) 5.019 11.539 ( 0.000 2.687 -1.076) 2.894 11.732 ( 0.000 6.141 6.185) 8.715 11.880 ( 0.000 -6.616 1.004) 6.692 11.926 ( 0.000 -7.060 -10.469) 12.628 12.041 ( 0.000 3.046 0.951) 3.191 12.302 ( 0.000 -4.604 4.806) 6.656 12.357 ( 0.000 8.793 -0.194) 8.795 12.590 ( 0.000 3.692 -6.466) 7.446 12.775 ( 0.000 2.311 1.192) 2.600 12.834 ( 0.000 -1.297 2.080) 2.451 12.888 ( 0.000 -2.363 3.535) 4.252 13.020 ( 0.000 5.111 -1.590) 5.353 13.795 ( 0.000 -3.105 -0.744) 3.193 13.855 ( 0.000 1.251 -1.916) 2.288 13.972 ( 0.000 1.410 6.040) 6.203 14.123 ( 0.000 -0.990 -1.651) 1.925 14.179 ( 0.000 4.076 4.446) 6.032 14.329 ( 0.000 -3.903 0.390) 3.922 14.454 ( 0.000 -0.069 1.126) 1.128 14.560 ( 0.000 -2.335 -0.829) 2.478 14.892 ( 0.000 0.983 -3.983) 4.102 15.088 ( 0.000 -0.538 -7.435) 7.455 15.261 ( 0.000 3.774 -1.492) 4.058 15.320 ( 0.000 1.958 -2.115) 2.883 15.373 ( 0.000 -5.755 4.329) 7.201 15.559 ( 0.000 4.379 5.862) 7.317 15.655 ( 0.000 -14.038 1.277) 14.096 15.713 ( 0.000 0.327 6.496) 6.504 16.837 ( 0.000 19.467 -8.309) 21.166 17.209 ( 0.000 3.682 1.874) 4.132 17.375 ( 0.000 -5.074 -8.953) 10.290 17.491 ( 0.000 -8.177 -6.274) 10.307 18.320 ( 0.000 5.599 -1.111) 5.708 18.402 ( 0.000 4.502 1.106) 4.636 18.570 ( 0.000 -4.619 -5.808) 7.421 18.678 ( 0.000 -7.718 -8.372) 11.387 24.620 ( 0.000 1.616 -1.348) 2.104 24.673 ( 0.000 -0.935 -1.025) 1.387 24.900 ( 0.000 -0.289 -1.610) 1.635 25.075 ( 0.000 -9.333 -3.065) 9.824 26.415 ( 0.000 1.437 2.698) 3.057 26.456 ( 0.000 -1.113 2.080) 2.359 26.459 ( 0.000 0.005 3.619) 3.619 26.530 ( 0.000 -2.470 3.547) 4.322 27.915 ( 0.000 0.822 2.184) 2.333 28.010 ( 0.000 -2.934 6.124) 6.790 28.121 ( 0.000 0.769 3.889) 3.965 28.179 ( 0.000 -1.649 5.068) 5.329 28.432 ( 0.000 5.476 -0.757) 5.528 28.532 ( 0.000 11.294 -0.042) 11.295 28.589 ( 0.000 -1.983 -0.965) 2.205 28.703 ( 0.000 4.998 2.377) 5.534 28.884 ( 0.000 2.781 -0.447) 2.817 28.977 ( 0.000 -2.698 2.571) 3.727 29.077 ( 0.000 7.193 1.515) 7.351 29.386 ( 0.000 -6.763 -1.345) 6.896 29.746 ( 0.000 -1.541 -0.659) 1.676 29.748 ( 0.000 -2.234 3.006) 3.745 29.961 ( 0.000 1.121 1.355) 1.758 30.053 ( 0.000 -2.986 1.820) 3.497 30.312 ( 0.000 7.435 -1.110) 7.517 30.634 ( 0.000 -6.712 -2.882) 7.305 30.798 ( 0.000 2.692 -7.825) 8.275 30.996 ( 0.000 -7.719 -1.440) 7.853 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 9.446 22.352 10.269) 26.349 1.587 ( 10.248 26.416 1.292) 28.363 2.015 ( -13.716 8.167 5.185) 16.784 2.116 ( -14.461 13.851 4.612) 20.548 2.343 ( 6.197 -3.102 -0.489) 6.947 2.415 ( 3.123 -6.572 4.735) 8.681 2.484 ( 3.300 0.329 6.400) 7.208 2.582 ( -1.737 -10.813 -5.567) 12.285 2.770 ( -0.039 -1.393 1.942) 2.390 2.874 ( -1.971 2.915 7.456) 8.245 2.929 ( 1.649 -1.190 1.936) 2.808 2.972 ( -1.178 -3.753 0.485) 3.963 3.010 ( 7.438 10.093 6.895) 14.308 3.473 ( -4.743 2.688 0.352) 5.463 3.496 ( -2.444 -0.199 1.618) 2.938 3.563 ( -12.560 3.434 5.678) 14.205 3.786 ( 10.791 3.564 0.112) 11.365 4.023 ( 2.152 -1.795 -3.022) 4.121 4.072 ( 0.927 1.396 -0.121) 1.680 4.137 ( -3.017 1.348 -3.578) 4.871 4.530 ( -1.853 0.308 -3.026) 3.562 4.567 ( -2.870 -2.689 -2.130) 4.473 4.658 ( 2.555 -4.122 1.154) 4.985 4.718 ( 2.746 -3.696 -0.890) 4.690 4.842 ( -2.064 -1.174 0.111) 2.377 4.902 ( -5.868 2.816 2.125) 6.847 5.176 ( 1.243 -10.845 1.020) 10.964 5.202 ( 1.306 -8.652 0.707) 8.779 5.349 ( 9.782 7.547 -0.757) 12.378 5.616 ( 0.367 2.308 -2.289) 3.271 5.693 ( 1.516 -1.188 -1.467) 2.421 5.717 ( -0.775 1.725 -1.483) 2.403 5.742 ( 5.465 -1.211 -0.149) 5.600 5.796 ( 3.906 2.630 -1.057) 4.826 5.894 ( -2.468 -1.068 -1.723) 3.194 5.973 ( -0.397 -2.938 3.864) 4.870 6.098 ( 2.145 1.617 3.609) 4.499 6.224 ( -4.034 -0.158 1.467) 4.296 6.344 ( -3.391 -2.920 -0.636) 4.520 6.379 ( -3.195 -0.728 -3.430) 4.743 6.569 ( 2.050 -0.223 3.527) 4.085 6.731 ( -1.943 -2.083 5.507) 6.200 6.748 ( 1.556 -2.741 0.219) 3.159 7.049 ( -0.159 -9.853 15.995) 18.787 7.119 ( 3.392 1.114 3.547) 5.033 7.173 ( 3.966 0.972 1.257) 4.273 7.215 ( 5.149 1.791 -0.707) 5.497 7.342 ( -5.007 2.733 -0.398) 5.718 7.414 ( 2.695 -3.255 -4.746) 6.354 7.485 ( -4.176 0.355 2.231) 4.748 7.569 ( -8.017 -1.292 -0.760) 8.156 7.634 ( -4.637 -6.755 -0.776) 8.230 8.512 ( 1.445 16.200 -2.547) 16.463 8.612 ( 5.646 9.749 -2.172) 11.473 8.673 ( 3.140 10.850 3.948) 11.966 8.795 ( -12.315 13.636 -10.037) 20.937 8.969 ( -2.444 7.957 -6.829) 10.767 9.030 ( 1.133 -6.499 1.500) 6.766 9.187 ( -2.920 1.098 0.520) 3.163 9.280 ( 2.114 3.363 -6.437) 7.564 9.423 ( -6.191 -2.375 -0.689) 6.667 9.516 ( -3.912 0.129 0.352) 3.930 9.829 ( 7.591 -14.701 -7.601) 18.208 9.987 ( -0.876 -19.503 -0.287) 19.525 10.598 ( 4.383 0.116 -1.845) 4.757 10.729 ( 5.037 -3.308 -5.662) 8.268 10.842 ( -6.218 3.970 -5.037) 8.933 10.965 ( -4.806 -1.503 -4.764) 6.932 11.483 ( -0.650 4.738 -0.067) 4.783 11.671 ( -6.183 6.540 3.917) 9.815 11.899 ( 0.096 -11.104 -6.611) 12.923 11.979 ( -0.940 -3.825 -1.969) 4.404 12.165 ( 12.288 4.059 -1.039) 12.983 12.369 ( 13.612 -3.746 -1.225) 14.171 12.530 ( 10.977 3.931 2.766) 11.983 12.565 ( -3.096 8.822 -2.526) 9.685 12.740 ( -2.907 -1.561 0.250) 3.309 12.791 ( -5.628 -0.793 0.172) 5.687 12.852 ( -1.594 -2.562 3.014) 4.265 13.004 ( -3.096 1.946 -1.473) 3.942 13.753 ( -0.934 2.318 0.008) 2.499 13.894 ( -1.109 3.708 -1.201) 4.052 13.996 ( 2.382 -0.975 3.660) 4.475 14.037 ( -2.100 2.319 2.875) 4.249 14.269 ( 3.101 0.840 -1.089) 3.392 14.321 ( -0.127 -5.873 0.841) 5.935 14.444 ( -0.218 -3.615 2.113) 4.193 14.533 ( -2.708 -3.835 -2.860) 5.497 14.943 ( 5.293 2.830 -1.241) 6.129 15.130 ( 1.845 3.752 -5.598) 6.987 15.234 ( -0.502 1.703 -0.208) 1.788 15.352 ( 3.183 0.603 -2.272) 3.957 15.408 ( 1.919 -4.053 3.077) 5.438 15.507 ( -4.837 3.117 4.639) 7.392 15.601 ( -3.224 -12.323 0.020) 12.737 15.713 ( -1.519 -5.346 6.844) 8.816 16.920 ( 8.062 16.795 -9.134) 20.748 17.177 ( -2.720 5.831 -2.932) 7.071 17.436 ( 4.054 -5.103 -7.491) 9.930 17.486 ( -0.417 -7.741 -6.689) 10.239 18.312 ( -0.555 5.677 0.100) 5.705 18.356 ( -3.426 4.804 1.804) 6.170 18.575 ( 0.566 -5.307 -5.391) 7.586 18.655 ( -2.464 -7.731 -7.399) 10.981 24.693 ( 4.602 -0.140 -2.041) 5.036 24.713 ( 5.623 -0.867 -2.749) 6.319 24.880 ( -1.493 -1.795 -0.798) 2.468 25.037 ( -4.108 -9.520 -3.271) 10.872 26.415 ( 0.036 1.406 2.765) 3.102 26.436 ( -1.072 0.946 2.857) 3.195 26.483 ( 1.385 -1.814 2.916) 3.702 26.524 ( -0.643 -2.465 3.373) 4.227 27.939 ( 2.497 0.924 2.574) 3.703 28.029 ( 1.763 -2.364 6.047) 6.728 28.086 ( -3.196 0.306 3.862) 5.022 28.151 ( -2.822 -2.022 5.332) 6.363 28.439 ( 0.882 6.240 -0.628) 6.333 28.508 ( -2.142 10.319 -0.110) 10.540 28.616 ( 2.386 -1.368 -0.917) 2.899 28.692 ( -1.149 3.985 1.293) 4.345 28.889 ( 1.525 3.768 -0.698) 4.125 29.014 ( 3.589 -1.832 2.354) 4.667 29.058 ( -2.786 3.796 1.164) 4.851 29.236 ( -10.469 -2.865 0.028) 10.854 29.801 ( 6.556 0.571 3.769) 7.584 29.919 ( 9.983 -3.195 -1.886) 10.650 29.984 ( 2.051 0.662 1.246) 2.490 30.048 ( -0.423 -1.880 2.411) 3.086 30.330 ( 3.347 7.358 -1.775) 8.276 30.646 ( 1.416 -6.599 -2.681) 7.262 30.709 ( -9.046 2.431 -6.553) 11.431 30.888 ( -9.723 -6.131 -0.484) 11.505 ======================= Grid point 47 (21/72) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -12.127 14.821 8.484) 20.946 1.715 ( 12.127 14.821 8.484) 20.946 1.847 ( -11.667 20.362 2.968) 23.655 1.847 ( 11.667 20.362 2.968) 23.655 2.433 ( -2.389 -11.996 0.309) 12.236 2.433 ( 2.389 -11.996 0.309) 12.236 2.532 ( -2.544 -1.890 -0.713) 3.248 2.532 ( 2.544 -1.890 -0.713) 3.248 2.806 ( -4.023 1.196 6.826) 8.013 2.806 ( 4.023 1.196 6.826) 8.013 2.951 ( -1.045 -4.786 -1.569) 5.144 2.951 ( 1.045 -4.786 -1.569) 5.144 3.234 ( -15.149 13.402 9.302) 22.263 3.234 ( 15.149 13.402 9.302) 22.263 3.481 ( -1.018 0.072 1.873) 2.133 3.481 ( 1.018 0.072 1.873) 2.133 3.964 ( -7.575 2.017 -2.263) 8.159 3.964 ( 7.575 2.017 -2.263) 8.159 4.099 ( -1.202 0.750 -0.831) 1.642 4.099 ( 1.202 0.750 -0.831) 1.642 4.524 ( -1.407 -2.413 -3.001) 4.100 4.524 ( 1.407 -2.413 -3.001) 4.100 4.718 ( -3.070 -7.856 -1.029) 8.497 4.718 ( 3.070 -7.856 -1.029) 8.497 4.828 ( -1.925 3.829 1.919) 4.696 4.828 ( 1.925 3.829 1.919) 4.696 5.196 ( -0.954 -11.051 0.923) 11.130 5.196 ( 0.954 -11.051 0.923) 11.130 5.536 ( -8.223 7.209 -2.510) 11.220 5.536 ( 8.223 7.209 -2.510) 11.220 5.710 ( -0.303 -0.079 -1.531) 1.563 5.710 ( 0.303 -0.079 -1.531) 1.563 5.831 ( -3.500 0.476 3.088) 4.692 5.831 ( 3.500 0.476 3.088) 4.692 5.915 ( -5.846 0.040 -0.043) 5.847 5.915 ( 5.846 0.040 -0.043) 5.847 6.156 ( -3.348 -1.400 1.952) 4.120 6.156 ( 3.348 -1.400 1.952) 4.120 6.317 ( -1.697 -2.720 -3.759) 4.940 6.317 ( 1.697 -2.720 -3.759) 4.940 6.630 ( -4.496 1.942 3.512) 6.026 6.630 ( 4.496 1.942 3.512) 6.026 6.911 ( -10.713 -6.688 1.122) 12.679 6.911 ( 10.713 -6.688 1.122) 12.679 7.194 ( -3.537 1.627 7.184) 8.171 7.194 ( 3.537 1.627 7.184) 8.171 7.343 ( -7.056 -0.074 1.187) 7.156 7.343 ( 7.056 -0.074 1.187) 7.156 7.389 ( -7.543 -0.994 0.994) 7.672 7.389 ( 7.543 -0.994 0.994) 7.672 7.526 ( -6.366 -6.218 -2.449) 9.230 7.526 ( 6.366 -6.218 -2.449) 9.230 8.585 ( -6.700 15.990 -5.915) 18.318 8.585 ( 6.700 15.990 -5.915) 18.318 8.717 ( -2.658 14.382 2.026) 14.765 8.717 ( 2.658 14.382 2.026) 14.765 8.956 ( -3.366 -1.769 -5.372) 6.582 8.956 ( 3.366 -1.769 -5.372) 6.582 9.258 ( -7.508 -2.646 1.087) 8.034 9.258 ( 7.508 -2.646 1.087) 8.034 9.406 ( -6.276 3.703 -0.534) 7.307 9.406 ( 6.276 3.703 -0.534) 7.307 9.943 ( -4.237 -18.248 -3.410) 19.041 9.943 ( 4.237 -18.248 -3.410) 19.041 10.710 ( -7.204 2.438 -3.677) 8.448 10.710 ( 7.204 2.438 -3.677) 8.448 10.850 ( -7.117 -2.155 -4.683) 8.788 10.850 ( 7.117 -2.155 -4.683) 8.788 11.543 ( -6.259 5.909 0.303) 8.613 11.543 ( 6.259 5.909 0.303) 8.613 11.925 ( -2.743 -7.648 -3.706) 8.930 11.925 ( 2.743 -7.648 -3.706) 8.930 12.412 ( -11.908 7.332 -1.162) 14.033 12.412 ( 11.908 7.332 -1.162) 14.033 12.620 ( -7.540 -2.171 -1.661) 8.020 12.620 ( 7.540 -2.171 -1.661) 8.020 12.699 ( -3.086 1.909 2.216) 4.252 12.699 ( 3.086 1.909 2.216) 4.252 12.893 ( -6.973 -3.128 -0.196) 7.645 12.893 ( 6.973 -3.128 -0.196) 7.645 13.800 ( -5.607 6.589 -0.279) 8.656 13.800 ( 5.607 6.589 -0.279) 8.656 14.038 ( -0.818 0.025 3.691) 3.780 14.038 ( 0.818 0.025 3.691) 3.780 14.298 ( -2.173 -3.191 -1.262) 4.062 14.298 ( 2.173 -3.191 -1.262) 4.062 14.477 ( -3.110 -6.148 -0.982) 6.960 14.477 ( 3.110 -6.148 -0.982) 6.960 15.061 ( -6.640 5.889 0.138) 8.877 15.061 ( 6.640 5.889 0.138) 8.877 15.333 ( -8.198 -1.825 -1.034) 8.462 15.333 ( 8.198 -1.825 -1.034) 8.462 15.423 ( -3.972 1.623 -0.557) 4.327 15.423 ( 3.972 1.623 -0.557) 4.327 15.638 ( -5.483 -11.114 4.999) 13.363 15.638 ( 5.483 -11.114 4.999) 13.363 17.083 ( -7.964 11.281 -8.310) 16.117 17.083 ( 7.964 11.281 -8.310) 16.117 17.479 ( -0.790 -6.201 -7.078) 9.443 17.479 ( 0.790 -6.201 -7.078) 9.443 18.314 ( -1.054 5.230 2.106) 5.736 18.314 ( 1.054 5.230 2.106) 5.736 18.602 ( -2.556 -6.937 -5.912) 9.466 18.602 ( 2.556 -6.937 -5.912) 9.466 24.760 ( -2.618 0.917 -2.944) 4.045 24.760 ( 2.618 0.917 -2.944) 4.045 24.928 ( -6.820 -8.605 -2.299) 11.218 24.928 ( 6.820 -8.605 -2.299) 11.218 26.420 ( -0.578 1.491 2.870) 3.286 26.420 ( 0.578 1.491 2.870) 3.286 26.507 ( -1.194 -2.347 3.070) 4.044 26.507 ( 1.194 -2.347 3.070) 4.044 28.002 ( -4.018 1.087 3.521) 5.452 28.002 ( 4.018 1.087 3.521) 5.452 28.090 ( -3.285 -2.707 5.638) 7.064 28.090 ( 3.285 -2.707 5.638) 7.064 28.467 ( -2.078 8.215 -0.342) 8.480 28.467 ( 2.078 8.215 -0.342) 8.480 28.661 ( -2.204 1.293 -0.410) 2.588 28.661 ( 2.204 1.293 -0.410) 2.588 28.963 ( -6.113 2.440 -0.530) 6.603 28.963 ( 6.113 2.440 -0.530) 6.603 29.095 ( -5.201 -0.772 2.201) 5.700 29.095 ( 5.201 -0.772 2.201) 5.700 29.930 ( -5.845 2.474 2.388) 6.782 29.930 ( 5.845 2.474 2.388) 6.782 30.042 ( -1.782 -1.665 0.916) 2.605 30.042 ( 1.782 -1.665 0.916) 2.605 30.487 ( -12.509 4.046 -4.454) 13.881 30.487 ( 12.509 4.046 -4.454) 13.881 30.722 ( -6.701 -6.272 -0.924) 9.225 30.722 ( 6.701 -6.272 -0.924) 9.225 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 -20.325 3.643) 20.648 1.909 ( 0.000 20.325 3.643) 20.648 2.083 ( 0.000 -19.689 -4.325) 20.158 2.083 ( 0.000 19.689 -4.325) 20.158 2.286 ( 0.000 -2.194 0.626) 2.281 2.286 ( 0.000 2.194 0.626) 2.281 2.560 ( 0.000 -4.156 -1.351) 4.370 2.560 ( 0.000 4.156 -1.351) 4.370 2.724 ( 0.000 -1.253 6.007) 6.136 2.724 ( 0.000 1.253 6.007) 6.136 2.935 ( 0.000 -1.383 3.048) 3.347 2.935 ( 0.000 1.383 3.048) 3.347 3.339 ( 0.000 -16.103 6.523) 17.374 3.339 ( 0.000 16.103 6.523) 17.374 3.653 ( 0.000 -2.353 0.806) 2.487 3.653 ( 0.000 2.353 0.806) 2.487 3.814 ( 0.000 -7.716 1.094) 7.793 3.814 ( 0.000 7.716 1.094) 7.793 4.172 ( 0.000 -4.263 -1.009) 4.381 4.172 ( 0.000 4.263 -1.009) 4.381 4.481 ( 0.000 -1.195 -2.179) 2.485 4.481 ( 0.000 1.195 -2.179) 2.485 4.671 ( 0.000 -2.119 -0.115) 2.122 4.671 ( 0.000 2.119 -0.115) 2.122 4.986 ( 0.000 -10.116 2.511) 10.423 4.986 ( 0.000 10.116 2.511) 10.423 5.033 ( 0.000 -2.714 3.198) 4.194 5.033 ( 0.000 2.714 3.198) 4.194 5.463 ( 0.000 -13.355 -1.981) 13.501 5.463 ( 0.000 13.355 -1.981) 13.501 5.636 ( 0.000 -2.501 -1.557) 2.946 5.636 ( 0.000 2.501 -1.557) 2.946 5.823 ( 0.000 -4.245 -1.577) 4.528 5.823 ( 0.000 4.245 -1.577) 4.528 5.870 ( 0.000 -5.379 1.798) 5.672 5.870 ( 0.000 5.379 1.798) 5.672 6.200 ( 0.000 -5.315 0.843) 5.381 6.200 ( 0.000 5.315 0.843) 5.381 6.393 ( 0.000 -0.687 1.187) 1.371 6.393 ( 0.000 0.687 1.187) 1.371 6.562 ( 0.000 -2.477 1.092) 2.707 6.562 ( 0.000 2.477 1.092) 2.707 6.898 ( 0.000 -3.002 15.491) 15.779 6.898 ( 0.000 3.002 15.491) 15.779 7.119 ( 0.000 -1.361 4.015) 4.240 7.119 ( 0.000 1.361 4.015) 4.240 7.226 ( 0.000 -3.833 -6.041) 7.154 7.226 ( 0.000 3.833 -6.041) 7.154 7.526 ( 0.000 -4.658 0.229) 4.664 7.526 ( 0.000 4.658 0.229) 4.664 7.627 ( 0.000 -3.178 -3.241) 4.539 7.627 ( 0.000 3.178 -3.241) 4.539 8.635 ( 0.000 -1.356 -5.040) 5.220 8.635 ( 0.000 1.356 -5.040) 5.220 8.853 ( 0.000 -8.053 4.980) 9.468 8.853 ( 0.000 8.053 4.980) 9.468 9.118 ( 0.000 -6.939 -13.682) 15.341 9.118 ( 0.000 6.939 -13.682) 15.341 9.333 ( 0.000 -14.318 -1.445) 14.391 9.333 ( 0.000 14.318 -1.445) 14.391 9.532 ( 0.000 -11.971 -1.057) 12.018 9.532 ( 0.000 11.971 -1.057) 12.018 9.571 ( 0.000 -12.698 -2.214) 12.890 9.571 ( 0.000 12.698 -2.214) 12.890 10.582 ( 0.000 -3.548 -2.693) 4.455 10.582 ( 0.000 3.548 -2.693) 4.455 10.977 ( 0.000 -2.439 -5.772) 6.266 10.977 ( 0.000 2.439 -5.772) 6.266 11.677 ( 0.000 -9.683 -5.370) 11.072 11.677 ( 0.000 9.683 -5.370) 11.072 11.843 ( 0.000 -3.946 1.893) 4.377 11.843 ( 0.000 3.946 1.893) 4.377 12.158 ( 0.000 -7.741 2.704) 8.200 12.158 ( 0.000 7.741 2.704) 8.200 12.526 ( 0.000 -7.073 -2.917) 7.651 12.526 ( 0.000 7.073 -2.917) 7.651 12.811 ( 0.000 -1.649 1.171) 2.023 12.811 ( 0.000 1.649 1.171) 2.023 12.986 ( 0.000 -7.272 1.365) 7.399 12.986 ( 0.000 7.272 1.365) 7.399 13.811 ( 0.000 -3.584 -3.311) 4.879 13.811 ( 0.000 3.584 -3.311) 4.879 14.050 ( 0.000 -4.862 3.653) 6.081 14.050 ( 0.000 4.862 3.653) 6.081 14.255 ( 0.000 -3.508 1.156) 3.694 14.255 ( 0.000 3.508 1.156) 3.694 14.501 ( 0.000 -3.379 -0.514) 3.418 14.501 ( 0.000 3.379 -0.514) 3.418 14.974 ( 0.000 -6.698 -1.256) 6.815 14.974 ( 0.000 6.698 -1.256) 6.815 15.315 ( 0.000 -1.528 0.381) 1.575 15.315 ( 0.000 1.528 0.381) 1.575 15.432 ( 0.000 -7.683 -0.851) 7.730 15.432 ( 0.000 7.683 -0.851) 7.730 15.658 ( 0.000 -4.707 6.125) 7.725 15.658 ( 0.000 4.707 6.125) 7.725 17.181 ( 0.000 -13.338 -6.945) 15.037 17.181 ( 0.000 13.338 -6.945) 15.037 17.321 ( 0.000 -7.325 -2.648) 7.789 17.321 ( 0.000 7.325 -2.648) 7.789 18.447 ( 0.000 -6.770 -6.306) 9.252 18.447 ( 0.000 6.770 -6.306) 9.252 18.527 ( 0.000 -6.772 -1.022) 6.849 18.527 ( 0.000 6.772 -1.022) 6.849 24.651 ( 0.000 -1.273 -0.798) 1.503 24.651 ( 0.000 1.273 -0.798) 1.503 24.936 ( 0.000 -4.081 -2.528) 4.801 24.936 ( 0.000 4.081 -2.528) 4.801 26.435 ( 0.000 -0.818 2.899) 3.012 26.435 ( 0.000 0.818 2.899) 3.012 26.485 ( 0.000 -1.987 2.892) 3.509 26.485 ( 0.000 1.987 2.892) 3.509 27.952 ( 0.000 -2.495 4.472) 5.121 27.952 ( 0.000 2.495 4.472) 5.121 28.146 ( 0.000 -1.521 4.759) 4.997 28.146 ( 0.000 1.521 4.759) 4.997 28.526 ( 0.000 -3.842 -0.412) 3.864 28.526 ( 0.000 3.842 -0.412) 3.864 28.714 ( 0.000 -4.814 0.806) 4.881 28.714 ( 0.000 4.814 0.806) 4.881 28.923 ( 0.000 -1.897 0.524) 1.968 28.923 ( 0.000 1.897 0.524) 1.968 29.234 ( 0.000 -7.723 0.184) 7.725 29.234 ( 0.000 7.723 0.184) 7.725 29.726 ( 0.000 -0.124 1.547) 1.552 29.726 ( 0.000 0.124 1.547) 1.552 29.996 ( 0.000 -2.290 1.505) 2.741 29.996 ( 0.000 2.290 1.505) 2.741 30.477 ( 0.000 -8.161 -2.208) 8.455 30.477 ( 0.000 8.161 -2.208) 8.455 30.872 ( 0.000 -4.590 -6.036) 7.583 30.872 ( 0.000 4.590 -6.036) 7.583 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 4.563 -19.472 3.295) 20.269 1.952 ( 4.563 19.472 3.295) 20.269 2.120 ( 2.901 -18.242 -1.574) 18.538 2.120 ( 2.901 18.242 -1.574) 18.538 2.236 ( -3.805 -13.195 -0.953) 13.766 2.236 ( -3.805 13.195 -0.953) 13.766 2.455 ( -8.646 -13.342 -0.466) 15.905 2.455 ( -8.646 13.342 -0.466) 15.905 2.792 ( 4.923 -6.814 4.617) 9.590 2.792 ( 4.923 6.814 4.617) 9.590 2.920 ( -1.660 -1.950 3.401) 4.257 2.920 ( -1.660 1.950 3.401) 4.257 3.368 ( 3.053 -12.764 5.890) 14.385 3.368 ( 3.053 12.764 5.890) 14.385 3.562 ( -6.669 -3.117 2.545) 7.789 3.562 ( -6.669 3.117 2.545) 7.789 3.921 ( 8.148 -7.447 -0.287) 11.042 3.921 ( 8.148 7.447 -0.287) 11.042 4.149 ( -2.797 -3.267 -1.088) 4.436 4.149 ( -2.797 3.267 -1.088) 4.436 4.490 ( 1.246 -2.833 -1.334) 3.370 4.490 ( 1.246 2.833 -1.334) 3.370 4.623 ( -4.526 -4.509 0.213) 6.392 4.623 ( -4.526 4.509 0.213) 6.392 4.979 ( -0.279 -7.707 2.289) 8.044 4.979 ( -0.279 7.707 2.289) 8.044 5.010 ( -1.662 -4.513 2.868) 5.600 5.010 ( -1.662 4.513 2.868) 5.600 5.554 ( 7.285 -9.846 -2.031) 12.415 5.554 ( 7.285 9.846 -2.031) 12.415 5.674 ( 2.834 -2.852 -2.186) 4.577 5.674 ( 2.834 2.852 -2.186) 4.577 5.813 ( 0.030 -5.050 -1.367) 5.232 5.813 ( 0.030 5.050 -1.367) 5.232 5.883 ( 0.706 -4.902 2.767) 5.673 5.883 ( 0.706 4.902 2.767) 5.673 6.190 ( -0.327 -4.923 0.177) 4.937 6.190 ( -0.327 4.923 0.177) 4.937 6.336 ( -5.505 -2.800 0.416) 6.190 6.336 ( -5.505 2.800 0.416) 6.190 6.610 ( 5.078 -4.390 2.052) 7.019 6.610 ( 5.078 4.390 2.052) 7.019 6.849 ( -4.885 -8.029 11.197) 14.618 6.849 ( -4.885 8.029 11.197) 14.618 7.158 ( 4.448 -1.828 4.136) 6.343 7.158 ( 4.448 1.828 4.136) 6.343 7.286 ( 5.510 -4.589 -3.907) 8.166 7.286 ( 5.510 4.589 -3.907) 8.166 7.481 ( -6.011 -6.184 -0.833) 8.664 7.481 ( -6.011 6.184 -0.833) 8.664 7.532 ( -7.678 -1.601 -1.438) 7.974 7.532 ( -7.678 1.601 -1.438) 7.974 8.672 ( 4.105 -2.862 -5.654) 7.551 8.672 ( 4.105 2.862 -5.654) 7.551 8.883 ( 0.210 -7.822 1.442) 7.957 8.883 ( 0.210 7.822 1.442) 7.957 9.051 ( -2.855 -9.473 -8.626) 13.126 9.051 ( -2.855 9.473 -8.626) 13.126 9.269 ( -6.229 -12.927 -0.005) 14.349 9.269 ( -6.229 12.927 -0.005) 14.349 9.536 ( 1.625 -13.035 -2.024) 13.291 9.536 ( 1.625 13.035 -2.024) 13.291 9.599 ( 0.691 -9.793 -0.850) 9.854 9.599 ( 0.691 9.793 -0.850) 9.854 10.641 ( 6.067 -3.848 -3.106) 7.827 10.641 ( 6.067 3.848 -3.106) 7.827 10.918 ( -5.859 -3.093 -5.139) 8.385 10.918 ( -5.859 3.093 -5.139) 8.385 11.657 ( 0.520 -11.106 -4.465) 11.982 11.657 ( 0.520 11.106 -4.465) 11.982 11.838 ( -4.701 -8.425 2.079) 9.869 11.838 ( -4.701 8.425 2.079) 9.869 12.276 ( 14.043 -5.243 -2.552) 15.205 12.276 ( 14.043 5.243 -2.552) 15.205 12.608 ( 6.861 -4.379 -0.272) 8.144 12.608 ( 6.861 4.379 -0.272) 8.144 12.764 ( -5.141 -2.042 0.970) 5.616 12.764 ( -5.141 2.042 0.970) 5.616 12.918 ( -6.780 -7.828 1.066) 10.410 12.918 ( -6.780 7.828 1.066) 10.410 13.850 ( 4.144 -5.961 -3.191) 7.930 13.850 ( 4.144 5.961 -3.191) 7.930 14.040 ( -2.278 -3.467 0.615) 4.194 14.040 ( -2.278 3.467 0.615) 4.194 14.266 ( 2.117 -1.120 2.772) 3.663 14.266 ( 2.117 1.120 2.772) 3.663 14.445 ( -5.043 -3.774 0.068) 6.299 14.445 ( -5.043 3.774 0.068) 6.299 15.054 ( 7.584 -7.130 -0.435) 10.418 15.054 ( 7.584 7.130 -0.435) 10.418 15.331 ( -1.595 -5.163 0.716) 5.452 15.331 ( -1.595 5.163 0.716) 5.452 15.401 ( 0.136 -3.255 -0.272) 3.269 15.401 ( 0.136 3.255 -0.272) 3.269 15.608 ( -5.181 -5.216 5.313) 9.071 15.608 ( -5.181 5.216 5.313) 9.071 17.221 ( 4.036 -10.988 -7.557) 13.933 17.221 ( 4.036 10.988 -7.557) 13.933 17.333 ( 0.349 -5.831 -4.025) 7.094 17.333 ( 0.349 5.831 -4.025) 7.094 18.436 ( -0.522 -5.564 -4.694) 7.299 18.436 ( -0.522 5.564 -4.694) 7.299 18.502 ( -2.504 -6.047 -1.052) 6.629 18.502 ( -2.504 6.047 -1.052) 6.629 24.699 ( 4.815 -0.598 -1.204) 5.000 24.699 ( 4.815 0.598 -1.204) 5.000 24.900 ( -3.797 -3.780 -2.389) 5.866 24.900 ( -3.797 3.780 -2.389) 5.866 26.442 ( 0.721 -1.374 2.870) 3.262 26.442 ( 0.721 1.374 2.870) 3.262 26.477 ( -0.756 -2.045 2.868) 3.602 26.477 ( -0.756 2.045 2.868) 3.602 27.975 ( 2.475 -2.403 4.600) 5.750 27.975 ( 2.475 2.403 4.600) 5.750 28.111 ( -3.435 -1.740 4.840) 6.185 28.111 ( -3.435 1.740 4.840) 6.185 28.548 ( 2.405 -4.387 -0.363) 5.017 28.548 ( 2.405 4.387 -0.363) 5.017 28.682 ( -3.261 -5.186 0.437) 6.142 28.682 ( -3.261 5.186 0.437) 6.142 28.956 ( 3.345 -3.179 0.523) 4.644 28.956 ( 3.345 3.179 0.523) 4.644 29.153 ( -6.578 -4.845 0.458) 8.183 29.153 ( -6.578 4.845 0.458) 8.183 29.847 ( 9.979 -3.422 1.015) 10.598 29.847 ( 9.979 3.422 1.015) 10.598 30.009 ( 0.872 -1.679 1.274) 2.281 30.009 ( 0.872 1.679 1.274) 2.281 30.491 ( 2.228 -7.952 -2.352) 8.587 30.491 ( 2.228 7.952 -2.352) 8.587 30.780 ( -9.161 -4.333 -5.033) 11.315 30.780 ( -9.161 4.333 -5.033) 11.315 ======================= Grid point 54 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -6.861 -16.505 2.802) 18.093 2.065 ( 6.802 -16.499 2.802) 18.065 2.065 ( -6.802 16.499 2.802) 18.065 2.065 ( 6.861 16.505 2.802) 18.093 2.291 ( -8.062 -16.919 -2.347) 18.888 2.291 ( 7.906 -16.900 -2.347) 18.805 2.291 ( -7.906 16.900 -2.347) 18.805 2.291 ( 8.062 16.919 -2.347) 18.888 2.872 ( -3.473 -4.462 4.031) 6.944 2.872 ( 3.237 -4.417 4.031) 6.800 2.872 ( -3.237 4.417 4.031) 6.800 2.872 ( 3.473 4.462 4.031) 6.944 3.447 ( -5.212 -5.205 4.401) 8.580 3.447 ( 3.672 -4.866 4.401) 7.518 3.447 ( -3.672 4.866 4.401) 7.518 3.447 ( 5.212 5.205 4.401) 8.580 4.062 ( -6.348 -5.156 -1.072) 8.248 4.062 ( 4.150 -4.562 -1.072) 6.259 4.062 ( -4.150 4.562 -1.072) 6.259 4.062 ( 6.348 5.156 -1.072) 8.248 4.538 ( -3.883 -5.459 0.028) 6.699 4.538 ( 3.660 -5.421 0.028) 6.541 4.538 ( -3.660 5.421 0.028) 6.541 4.538 ( 3.883 5.459 0.028) 6.699 4.985 ( -0.659 -9.328 2.399) 9.654 4.985 ( 0.612 -9.327 2.399) 9.650 4.985 ( -0.612 9.327 2.399) 9.650 4.985 ( 0.659 9.328 2.399) 9.654 5.663 ( -3.980 -4.554 -3.220) 6.852 5.663 ( 3.820 -4.519 -3.220) 6.737 5.663 ( -3.820 4.519 -3.220) 6.737 5.663 ( 3.980 4.554 -3.220) 6.852 5.861 ( -3.217 -3.179 2.201) 5.029 5.861 ( 1.629 -2.860 2.201) 3.960 5.861 ( -1.629 2.860 2.201) 3.960 5.861 ( 3.217 3.179 2.201) 5.029 6.228 ( -4.084 -5.554 -0.476) 6.911 6.228 ( 1.602 -5.227 -0.476) 5.487 6.228 ( -1.602 5.227 -0.476) 5.487 6.228 ( 4.084 5.554 -0.476) 6.911 6.732 ( -7.200 -7.975 5.227) 11.948 6.732 ( 6.685 -7.862 5.227) 11.568 6.732 ( -6.685 7.862 5.227) 11.568 6.732 ( 7.200 7.975 5.227) 11.948 7.287 ( -8.779 -5.251 1.489) 10.337 7.287 ( 1.834 -3.024 1.489) 3.837 7.287 ( -1.834 3.024 1.489) 3.837 7.287 ( 8.779 5.251 1.489) 10.337 7.418 ( -5.518 -3.614 -1.414) 6.747 7.418 ( 4.052 -3.092 -1.414) 5.290 7.418 ( -4.052 3.092 -1.414) 5.290 7.418 ( 5.518 3.614 -1.414) 6.747 8.783 ( -7.500 -5.902 -6.382) 11.481 8.783 ( 6.647 -5.640 -6.382) 10.804 8.783 ( -6.647 5.640 -6.382) 10.804 8.783 ( 7.500 5.902 -6.382) 11.481 9.129 ( -7.795 -11.167 0.936) 13.651 9.129 ( 7.032 -11.039 0.936) 13.122 9.129 ( -7.032 11.039 0.936) 13.122 9.129 ( 7.795 11.167 0.936) 13.651 9.579 ( -2.005 -14.325 -1.200) 14.514 9.579 ( 1.891 -14.321 -1.200) 14.495 9.579 ( -1.891 14.321 -1.200) 14.495 9.579 ( 2.005 14.325 -1.200) 14.514 10.782 ( -8.288 -3.960 -4.058) 10.042 10.782 ( -6.896 3.225 -4.058) 8.627 10.782 ( 6.896 -3.225 -4.058) 8.627 10.782 ( 8.288 3.960 -4.058) 10.042 11.721 ( -5.989 -10.378 -1.743) 12.109 11.721 ( 5.986 -10.378 -1.743) 12.107 11.721 ( -5.986 10.378 -1.743) 12.107 11.721 ( 5.989 10.378 -1.743) 12.109 12.563 ( -13.072 -4.362 -3.062) 14.116 12.563 ( -9.739 0.165 -3.062) 10.211 12.563 ( 9.739 -0.165 -3.062) 10.211 12.563 ( 13.072 4.362 -3.062) 14.116 12.774 ( -6.380 -5.736 2.440) 8.919 12.774 ( -0.484 -4.773 2.440) 5.382 12.774 ( 0.484 4.773 2.440) 5.382 12.774 ( 6.380 5.736 2.440) 8.919 13.953 ( -5.956 -7.114 -2.497) 9.609 13.953 ( 4.760 -6.885 -2.497) 8.735 13.953 ( -4.760 6.885 -2.497) 8.735 13.953 ( 5.956 7.114 -2.497) 9.609 14.343 ( -4.684 -5.807 2.305) 7.809 14.343 ( 1.695 -5.381 2.305) 6.095 14.343 ( -1.695 5.381 2.305) 6.095 14.343 ( 4.684 5.807 2.305) 7.809 15.212 ( -8.379 -7.995 0.234) 11.584 15.212 ( 6.280 -7.499 0.234) 9.784 15.212 ( -6.280 7.499 0.234) 9.784 15.212 ( 8.379 7.995 0.234) 11.584 15.489 ( -6.374 -4.401 2.777) 8.229 15.489 ( 0.567 -3.049 2.777) 4.163 15.489 ( -0.567 3.049 2.777) 4.163 15.489 ( 6.374 4.401 2.777) 8.229 17.303 ( -3.017 -9.964 -6.834) 12.453 17.303 ( 2.359 -9.919 -6.834) 12.274 17.303 ( -2.359 9.919 -6.834) 12.274 17.303 ( 3.017 9.964 -6.834) 12.453 18.452 ( -1.722 -7.390 -2.001) 7.847 18.452 ( 1.343 -7.370 -2.001) 7.754 18.452 ( -1.343 7.370 -2.001) 7.754 18.452 ( 1.722 7.390 -2.001) 7.847 24.805 ( -5.359 -3.496 -1.927) 6.682 24.805 ( -1.085 -2.310 -1.927) 3.198 24.805 ( 1.085 2.310 -1.927) 3.198 24.805 ( 5.359 3.496 -1.927) 6.682 26.460 ( -0.967 -2.197 2.842) 3.720 26.460 ( 0.843 -2.184 2.842) 3.682 26.460 ( -0.843 2.184 2.842) 3.682 26.460 ( 0.967 2.197 2.842) 3.720 28.038 ( -4.004 -2.212 4.819) 6.644 28.038 ( 0.568 -0.983 4.819) 4.951 28.038 ( -0.568 0.983 4.819) 4.951 28.038 ( 4.004 2.212 4.819) 6.644 28.610 ( -3.983 -5.284 -0.122) 6.618 28.610 ( 3.866 -5.262 -0.122) 6.530 28.610 ( -3.866 5.262 -0.122) 6.530 28.610 ( 3.983 5.284 -0.122) 6.618 29.038 ( -5.457 -3.985 0.571) 6.781 29.038 ( 5.182 -3.892 0.571) 6.506 29.038 ( -5.182 3.892 0.571) 6.506 29.038 ( 5.457 3.985 0.571) 6.781 29.991 ( -3.893 -2.946 0.768) 4.942 29.991 ( 1.276 -2.302 0.768) 2.742 29.991 ( -1.276 2.302 0.768) 2.742 29.991 ( 3.893 2.946 0.768) 4.942 30.593 ( -9.013 -5.952 -3.211) 11.268 30.593 ( 7.222 -5.306 -3.211) 9.520 30.593 ( -7.222 5.306 -3.211) 9.520 30.593 ( 9.013 5.952 -3.211) 11.268 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 0.000 31.461) 31.461 1.547 ( 0.000 0.000 33.332) 33.332 2.093 ( 0.000 0.000 43.974) 43.974 2.242 ( 0.000 0.000 3.254) 3.254 2.276 ( 0.000 0.000 4.254) 4.254 2.295 ( 0.000 0.000 7.786) 7.786 2.404 ( 0.000 0.000 -6.479) 6.479 2.716 ( 0.000 0.000 11.290) 11.290 2.816 ( 0.000 0.000 0.211) 0.211 2.850 ( 0.000 0.000 -7.222) 7.222 2.974 ( 0.000 0.000 -7.934) 7.934 3.193 ( 0.000 0.000 20.655) 20.655 3.207 ( 0.000 0.000 -4.419) 4.419 3.399 ( 0.000 0.000 -6.096) 6.096 3.555 ( 0.000 0.000 -2.859) 2.859 3.633 ( 0.000 0.000 -0.812) 0.812 3.784 ( 0.000 0.000 -7.942) 7.942 3.910 ( 0.000 0.000 12.185) 12.185 4.052 ( 0.000 0.000 3.854) 3.854 4.134 ( 0.000 0.000 -4.145) 4.145 4.330 ( 0.000 0.000 -3.838) 3.838 4.396 ( 0.000 0.000 -12.205) 12.205 4.542 ( 0.000 0.000 -12.340) 12.340 4.588 ( 0.000 0.000 3.549) 3.549 4.887 ( 0.000 0.000 -4.100) 4.100 5.006 ( 0.000 0.000 -22.051) 22.051 5.016 ( 0.000 0.000 6.472) 6.472 5.425 ( 0.000 0.000 -2.925) 2.925 5.563 ( 0.000 0.000 -0.675) 0.675 5.566 ( 0.000 0.000 -6.389) 6.389 5.568 ( 0.000 0.000 1.072) 1.072 5.606 ( 0.000 0.000 -2.660) 2.660 5.679 ( 0.000 0.000 -4.118) 4.118 5.875 ( 0.000 0.000 -0.149) 0.149 5.912 ( 0.000 0.000 8.524) 8.524 5.920 ( 0.000 0.000 0.972) 0.972 5.997 ( 0.000 0.000 6.111) 6.111 6.291 ( 0.000 0.000 -6.968) 6.968 6.447 ( 0.000 0.000 -5.597) 5.597 6.477 ( 0.000 0.000 16.177) 16.177 6.770 ( 0.000 0.000 3.713) 3.713 6.778 ( 0.000 0.000 -1.090) 1.090 6.889 ( 0.000 0.000 -0.898) 0.898 6.948 ( 0.000 0.000 -0.881) 0.881 7.113 ( 0.000 0.000 -4.285) 4.285 7.292 ( 0.000 0.000 4.392) 4.392 7.345 ( 0.000 0.000 1.474) 1.474 7.370 ( 0.000 0.000 3.950) 3.950 7.485 ( 0.000 0.000 -2.023) 2.023 7.705 ( 0.000 0.000 5.136) 5.136 7.830 ( 0.000 0.000 12.881) 12.881 7.849 ( 0.000 0.000 7.860) 7.860 7.948 ( 0.000 0.000 -1.631) 1.631 8.297 ( 0.000 0.000 -9.398) 9.398 8.402 ( 0.000 0.000 5.125) 5.125 8.444 ( 0.000 0.000 1.807) 1.807 8.606 ( 0.000 0.000 -7.777) 7.777 9.036 ( 0.000 0.000 6.230) 6.230 9.217 ( 0.000 0.000 2.256) 2.256 9.380 ( 0.000 0.000 -6.608) 6.608 9.380 ( 0.000 0.000 -8.169) 8.169 9.654 ( 0.000 0.000 -19.342) 19.342 9.697 ( 0.000 0.000 -2.677) 2.677 10.331 ( 0.000 0.000 -14.338) 14.338 10.494 ( 0.000 0.000 -7.116) 7.116 10.660 ( 0.000 0.000 1.302) 1.302 10.843 ( 0.000 0.000 -0.229) 0.229 10.900 ( 0.000 0.000 -8.945) 8.945 11.689 ( 0.000 0.000 13.559) 13.559 11.917 ( 0.000 0.000 -3.785) 3.785 11.947 ( 0.000 0.000 -3.647) 3.647 12.071 ( 0.000 0.000 6.047) 6.047 12.132 ( 0.000 0.000 0.038) 0.038 12.182 ( 0.000 0.000 3.434) 3.434 12.234 ( 0.000 0.000 -2.563) 2.563 12.294 ( 0.000 0.000 -6.427) 6.427 12.356 ( 0.000 0.000 -4.072) 4.072 12.886 ( 0.000 0.000 -3.054) 3.054 12.976 ( 0.000 0.000 -1.180) 1.180 13.092 ( 0.000 0.000 -2.602) 2.602 13.884 ( 0.000 0.000 6.002) 6.002 13.961 ( 0.000 0.000 4.077) 4.077 14.074 ( 0.000 0.000 8.173) 8.173 14.115 ( 0.000 0.000 4.486) 4.486 14.254 ( 0.000 0.000 12.215) 12.215 14.492 ( 0.000 0.000 -0.131) 0.131 14.520 ( 0.000 0.000 -0.954) 0.954 14.632 ( 0.000 0.000 2.795) 2.795 14.750 ( 0.000 0.000 -2.582) 2.582 14.761 ( 0.000 0.000 -8.194) 8.194 15.155 ( 0.000 0.000 0.173) 0.173 15.371 ( 0.000 0.000 0.763) 0.763 15.414 ( 0.000 0.000 3.722) 3.722 15.472 ( 0.000 0.000 3.949) 3.949 15.795 ( 0.000 0.000 -5.866) 5.866 15.910 ( 0.000 0.000 -7.785) 7.785 16.328 ( 0.000 0.000 -11.173) 11.173 16.703 ( 0.000 0.000 -11.345) 11.345 17.222 ( 0.000 0.000 3.801) 3.801 17.742 ( 0.000 0.000 1.959) 1.959 18.181 ( 0.000 0.000 -1.141) 1.141 18.441 ( 0.000 0.000 -18.123) 18.123 18.443 ( 0.000 0.000 -1.391) 1.391 18.586 ( 0.000 0.000 -8.098) 8.098 24.533 ( 0.000 0.000 -1.667) 1.667 24.665 ( 0.000 0.000 -1.704) 1.704 24.904 ( 0.000 0.000 -3.328) 3.328 25.230 ( 0.000 0.000 -14.960) 14.960 26.451 ( 0.000 0.000 2.820) 2.820 26.512 ( 0.000 0.000 2.288) 2.288 26.571 ( 0.000 0.000 3.101) 3.101 26.725 ( 0.000 0.000 3.804) 3.804 27.931 ( 0.000 0.000 2.872) 2.872 28.169 ( 0.000 0.000 4.846) 4.846 28.176 ( 0.000 0.000 4.957) 4.957 28.241 ( 0.000 0.000 3.413) 3.413 28.334 ( 0.000 0.000 2.930) 2.930 28.411 ( 0.000 0.000 1.488) 1.488 28.457 ( 0.000 0.000 1.586) 1.586 28.502 ( 0.000 0.000 5.054) 5.054 28.629 ( 0.000 0.000 -1.626) 1.626 29.083 ( 0.000 0.000 7.865) 7.865 29.173 ( 0.000 0.000 7.495) 7.495 29.405 ( 0.000 0.000 -9.014) 9.014 29.708 ( 0.000 0.000 -5.434) 5.434 29.962 ( 0.000 0.000 2.881) 2.881 29.973 ( 0.000 0.000 1.709) 1.709 30.184 ( 0.000 0.000 7.114) 7.114 30.224 ( 0.000 0.000 6.999) 6.999 30.500 ( 0.000 0.000 -15.009) 15.009 30.718 ( 0.000 0.000 -2.590) 2.590 31.422 ( 0.000 0.000 -4.955) 4.955 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 7.616 0.000 26.854) 27.913 1.629 ( 8.477 0.000 29.467) 30.662 1.975 ( -18.787 0.000 12.595) 22.618 2.073 ( -12.117 0.000 11.808) 16.919 2.351 ( 2.762 0.000 -2.640) 3.821 2.364 ( 18.077 0.000 37.043) 41.219 2.398 ( -0.657 0.000 -6.372) 6.406 2.808 ( -0.286 0.000 -0.895) 0.940 2.841 ( -1.018 0.000 -2.976) 3.145 2.931 ( 16.511 0.000 12.459) 20.684 3.008 ( 3.155 0.000 -8.944) 9.484 3.094 ( -10.843 0.000 21.411) 24.000 3.148 ( -4.471 0.000 -6.088) 7.553 3.423 ( 1.732 0.000 -5.100) 5.386 3.504 ( -2.861 0.000 -2.975) 4.127 3.619 ( -19.346 0.000 16.959) 25.727 3.771 ( 10.642 0.000 -1.684) 10.774 3.824 ( 0.937 0.000 -6.862) 6.925 3.997 ( -6.149 0.000 -2.370) 6.590 4.090 ( -4.736 0.000 -3.864) 6.112 4.360 ( 4.611 0.000 -8.943) 10.062 4.504 ( -1.708 0.000 -11.834) 11.957 4.619 ( 3.188 0.000 3.386) 4.651 4.629 ( 14.230 0.000 -8.926) 16.798 4.807 ( -5.963 0.000 0.248) 5.968 4.992 ( -2.844 0.000 -21.147) 21.338 5.106 ( 7.031 0.000 2.300) 7.398 5.362 ( -5.707 0.000 -1.576) 5.920 5.568 ( -0.404 0.000 -1.564) 1.615 5.573 ( 0.142 0.000 -7.118) 7.120 5.591 ( 2.149 0.000 -1.825) 2.819 5.666 ( -1.390 0.000 -3.440) 3.710 5.677 ( 7.281 0.000 -0.101) 7.282 5.868 ( -2.110 0.000 7.882) 8.160 5.873 ( 0.119 0.000 0.181) 0.217 5.909 ( -1.078 0.000 0.830) 1.361 6.056 ( 3.529 0.000 5.141) 6.236 6.257 ( -4.357 0.000 -5.621) 7.112 6.398 ( 0.039 0.000 0.117) 0.123 6.522 ( 0.358 0.000 9.167) 9.174 6.703 ( -4.988 0.000 1.229) 5.137 6.737 ( -3.473 0.000 2.054) 4.035 6.939 ( 4.395 0.000 -1.191) 4.554 6.969 ( 1.987 0.000 -0.916) 2.188 7.137 ( 2.810 0.000 -3.511) 4.497 7.262 ( -2.628 0.000 2.840) 3.869 7.316 ( -1.982 0.000 1.192) 2.312 7.431 ( -5.287 0.000 -1.587) 5.520 7.462 ( 8.601 0.000 4.889) 9.894 7.705 ( -0.901 0.000 4.782) 4.866 7.846 ( 1.352 0.000 11.778) 11.856 7.860 ( 0.847 0.000 8.583) 8.625 7.901 ( -2.091 0.000 0.781) 2.232 8.206 ( -11.846 0.000 -1.636) 11.958 8.393 ( -0.182 0.000 3.448) 3.453 8.436 ( -1.224 0.000 -1.202) 1.715 8.688 ( 8.356 0.000 -4.504) 9.493 9.117 ( 8.546 0.000 3.568) 9.261 9.161 ( -15.550 0.000 -7.759) 17.379 9.233 ( 4.490 0.000 0.455) 4.513 9.372 ( -1.650 0.000 -4.871) 5.143 9.624 ( -8.927 0.000 -0.525) 8.942 9.878 ( 15.735 0.000 -18.159) 24.028 10.287 ( -4.970 0.000 -15.260) 16.049 10.466 ( 0.921 0.000 -4.698) 4.788 10.703 ( 0.405 0.000 -2.024) 2.064 10.739 ( -2.973 0.000 -1.440) 3.303 10.911 ( -2.712 0.000 -4.761) 5.479 11.616 ( -4.232 0.000 8.061) 9.104 11.729 ( -9.409 0.000 1.525) 9.532 11.953 ( -5.738 0.000 4.632) 7.374 12.025 ( -9.052 0.000 -1.894) 9.248 12.156 ( 10.321 0.000 -4.896) 11.424 12.305 ( 9.342 0.000 -0.187) 9.344 12.331 ( 9.155 0.000 -0.152) 9.156 12.424 ( 5.951 0.000 -6.081) 8.508 12.518 ( 13.706 0.000 -4.235) 14.345 12.802 ( -4.994 0.000 -2.028) 5.390 12.943 ( -4.703 0.000 -0.417) 4.722 13.047 ( -6.415 0.000 -0.549) 6.439 13.859 ( -1.448 0.000 7.107) 7.253 13.931 ( -3.578 0.000 4.109) 5.449 14.102 ( 3.012 0.000 8.846) 9.345 14.192 ( 8.367 0.000 -1.394) 8.482 14.227 ( -2.643 0.000 10.732) 11.052 14.481 ( -3.756 0.000 -5.240) 6.447 14.570 ( 4.987 0.000 2.174) 5.440 14.657 ( 1.386 0.000 2.015) 2.445 14.758 ( 0.719 0.000 -3.055) 3.139 14.770 ( 0.553 0.000 -6.424) 6.448 15.197 ( 5.283 0.000 0.525) 5.309 15.425 ( 1.099 0.000 3.771) 3.928 15.466 ( -0.648 0.000 3.922) 3.976 15.484 ( 3.946 0.000 -1.277) 4.147 15.736 ( 2.687 0.000 -7.612) 8.072 16.000 ( 9.477 0.000 -8.277) 12.583 16.279 ( -7.404 0.000 -15.564) 17.235 16.529 ( -15.036 0.000 -9.623) 17.852 17.359 ( 11.223 0.000 2.098) 11.417 17.695 ( -5.112 0.000 1.840) 5.434 18.214 ( 3.712 0.000 -1.056) 3.859 18.392 ( -3.766 0.000 -0.984) 3.892 18.476 ( 2.243 0.000 -15.981) 16.138 18.574 ( -1.601 0.000 -8.786) 8.930 24.610 ( 5.969 0.000 -4.270) 7.339 24.675 ( 0.892 0.000 -2.235) 2.407 24.937 ( 4.218 0.000 -5.732) 7.116 25.186 ( -4.768 0.000 -14.663) 15.419 26.451 ( 0.078 0.000 2.820) 2.821 26.484 ( -1.879 0.000 2.568) 3.182 26.611 ( 3.145 0.000 2.938) 4.304 26.710 ( -1.568 0.000 3.526) 3.859 27.969 ( 4.106 0.000 3.795) 5.591 28.165 ( -0.301 0.000 4.797) 4.806 28.170 ( -0.538 0.000 4.859) 4.888 28.204 ( -4.840 0.000 4.335) 6.497 28.347 ( 1.294 0.000 2.757) 3.046 28.383 ( -1.068 0.000 2.869) 3.062 28.422 ( -2.630 0.000 1.736) 3.152 28.466 ( -3.298 0.000 4.566) 5.633 28.725 ( 8.979 0.000 -1.900) 9.178 29.109 ( 2.509 0.000 7.405) 7.819 29.177 ( -0.070 0.000 7.049) 7.050 29.198 ( -15.115 0.000 -5.604) 16.120 29.928 ( 16.307 0.000 -9.125) 18.686 29.969 ( 1.177 0.000 2.528) 2.788 29.995 ( 1.386 0.000 0.872) 1.637 30.171 ( -0.991 0.000 8.158) 8.218 30.205 ( -1.804 0.000 6.348) 6.600 30.424 ( -8.003 0.000 -14.277) 16.367 30.785 ( 7.085 0.000 0.090) 7.086 31.256 ( -15.081 0.000 0.992) 15.113 ======================= Grid point 72 (27/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -18.059 0.000 16.730) 24.617 1.611 ( 18.059 0.000 16.730) 24.617 1.834 ( -12.898 0.000 20.871) 24.535 1.834 ( 12.898 0.000 20.871) 24.535 2.382 ( -1.064 0.000 -5.679) 5.777 2.382 ( 1.064 0.000 -5.679) 5.777 2.768 ( -22.123 0.000 29.966) 37.247 2.768 ( 22.123 0.000 29.966) 37.247 2.817 ( -1.193 0.000 -0.869) 1.476 2.817 ( 1.193 0.000 -0.869) 1.476 3.073 ( -3.709 0.000 -8.356) 9.143 3.073 ( 3.709 0.000 -8.356) 9.143 3.262 ( -18.211 0.000 16.171) 24.354 3.262 ( 18.211 0.000 16.171) 24.354 3.458 ( -2.158 0.000 -3.827) 4.394 3.458 ( 2.158 0.000 -3.827) 4.394 3.885 ( -5.176 0.000 -6.055) 7.966 3.885 ( 5.176 0.000 -6.055) 7.966 3.961 ( -9.093 0.000 -2.917) 9.549 3.961 ( 9.093 0.000 -2.917) 9.549 4.444 ( -4.105 0.000 -10.447) 11.225 4.444 ( 4.105 0.000 -10.447) 11.225 4.700 ( -5.372 0.000 2.508) 5.928 4.700 ( 5.372 0.000 2.508) 5.928 4.869 ( -10.434 0.000 -15.053) 18.315 4.869 ( 10.434 0.000 -15.053) 18.315 5.240 ( -7.202 0.000 0.082) 7.203 5.240 ( 7.202 0.000 0.082) 7.203 5.566 ( -0.437 0.000 -4.891) 4.911 5.566 ( 0.437 0.000 -4.891) 4.911 5.631 ( -2.211 0.000 -2.590) 3.406 5.631 ( 2.211 0.000 -2.590) 3.406 5.811 ( -5.570 0.000 4.267) 7.017 5.811 ( 5.570 0.000 4.267) 7.017 5.886 ( -1.192 0.000 0.571) 1.322 5.886 ( 1.192 0.000 0.571) 1.322 6.140 ( -6.612 0.000 -1.800) 6.853 6.140 ( 6.612 0.000 -1.800) 6.853 6.466 ( -5.474 0.000 4.386) 7.015 6.466 ( 5.474 0.000 4.386) 7.015 6.675 ( -1.881 0.000 2.103) 2.821 6.675 ( 1.881 0.000 2.103) 2.821 6.994 ( -0.556 0.000 -1.106) 1.238 6.994 ( 0.556 0.000 -1.106) 1.238 7.203 ( -3.805 0.000 -0.344) 3.821 7.203 ( 3.805 0.000 -0.344) 3.821 7.329 ( -4.166 0.000 -0.305) 4.177 7.329 ( 4.166 0.000 -0.305) 4.177 7.634 ( -7.653 0.000 4.784) 9.025 7.634 ( 7.653 0.000 4.784) 9.025 7.865 ( -0.465 0.000 10.112) 10.123 7.865 ( 0.465 0.000 10.112) 10.123 7.960 ( -9.882 0.000 3.761) 10.574 7.960 ( 9.882 0.000 3.761) 10.574 8.407 ( -1.515 0.000 -0.142) 1.521 8.407 ( 1.515 0.000 -0.142) 1.521 8.891 ( -13.172 0.000 -4.790) 14.016 8.891 ( 13.172 0.000 -4.790) 14.016 9.287 ( -6.657 0.000 -3.299) 7.429 9.287 ( 6.657 0.000 -3.299) 7.429 9.404 ( -12.108 0.000 2.875) 12.445 9.404 ( 12.108 0.000 2.875) 12.445 10.137 ( -11.429 0.000 -17.223) 20.670 10.137 ( 11.429 0.000 -17.223) 20.670 10.569 ( -8.573 0.000 -5.879) 10.395 10.569 ( 8.573 0.000 -5.879) 10.395 10.825 ( -5.766 0.000 -1.337) 5.919 10.825 ( 5.766 0.000 -1.337) 5.919 11.602 ( -3.342 0.000 4.437) 5.555 11.602 ( 3.342 0.000 4.437) 5.555 11.915 ( -2.092 0.000 1.850) 2.793 11.915 ( 2.092 0.000 1.850) 2.793 12.332 ( -6.923 0.000 -4.005) 7.998 12.332 ( 6.923 0.000 -4.005) 7.998 12.454 ( -2.999 0.000 -3.883) 4.906 12.454 ( 2.999 0.000 -3.883) 4.906 12.743 ( -8.074 0.000 -4.931) 9.460 12.743 ( 8.074 0.000 -4.931) 9.460 12.892 ( -6.078 0.000 3.756) 7.145 12.892 ( 6.078 0.000 3.756) 7.145 13.865 ( -2.393 0.000 6.551) 6.974 13.865 ( 2.393 0.000 6.551) 6.974 14.167 ( -3.633 0.000 9.129) 9.825 14.167 ( 3.633 0.000 9.129) 9.825 14.365 ( -8.655 0.000 -5.108) 10.050 14.365 ( 8.655 0.000 -5.108) 10.050 14.643 ( -2.748 0.000 1.475) 3.119 14.643 ( 2.748 0.000 1.475) 3.119 14.771 ( -0.482 0.000 -4.213) 4.240 14.771 ( 0.482 0.000 -4.213) 4.240 15.352 ( -10.695 0.000 1.016) 10.743 15.352 ( 10.695 0.000 1.016) 10.743 15.448 ( -1.235 0.000 3.860) 4.053 15.448 ( 1.235 0.000 3.860) 4.053 16.024 ( -18.976 0.000 -16.692) 25.272 16.024 ( 18.976 0.000 -16.692) 25.272 16.237 ( -15.324 0.000 -8.901) 17.721 16.237 ( 15.324 0.000 -8.901) 17.721 17.558 ( -9.514 0.000 1.649) 9.656 17.558 ( 9.514 0.000 1.649) 9.656 18.305 ( -5.402 0.000 -0.903) 5.477 18.305 ( 5.402 0.000 -0.903) 5.477 18.527 ( -3.085 0.000 -11.745) 12.144 18.527 ( 3.085 0.000 -11.745) 12.144 24.678 ( -1.254 0.000 -3.522) 3.739 24.678 ( 1.254 0.000 -3.522) 3.739 25.062 ( -8.015 0.000 -12.141) 14.548 25.062 ( 8.015 0.000 -12.141) 14.548 26.458 ( -0.838 0.000 2.756) 2.881 26.458 ( 0.838 0.000 2.756) 2.881 26.668 ( -2.842 0.000 3.088) 4.197 26.668 ( 2.842 0.000 3.088) 4.197 28.078 ( -7.334 0.000 5.178) 8.978 28.078 ( 7.334 0.000 5.178) 8.978 28.163 ( -0.143 0.000 4.759) 4.762 28.163 ( 0.143 0.000 4.759) 4.762 28.378 ( -2.029 0.000 2.294) 3.063 28.378 ( 2.029 0.000 2.294) 3.063 28.404 ( -2.858 0.000 3.794) 4.750 28.404 ( 2.858 0.000 3.794) 4.750 28.932 ( -13.146 0.000 -3.202) 13.531 28.932 ( 13.146 0.000 -3.202) 13.531 29.157 ( -2.129 0.000 6.871) 7.193 29.157 ( 2.129 0.000 6.871) 7.193 29.997 ( -1.246 0.000 1.139) 1.688 29.997 ( 1.246 0.000 1.139) 1.688 30.172 ( -1.282 0.000 7.505) 7.614 30.172 ( 1.282 0.000 7.505) 7.614 30.216 ( -14.048 0.000 -12.227) 18.623 30.216 ( 14.048 0.000 -12.227) 18.623 30.976 ( -13.473 0.000 3.871) 14.019 30.976 ( 13.473 0.000 3.871) 14.019 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.000 9.238 26.612) 28.170 1.463 ( 0.000 -1.493 28.627) 28.666 2.199 ( 0.000 5.927 13.145) 14.419 2.216 ( 0.000 -1.424 0.080) 1.426 2.354 ( 0.000 3.491 6.535) 7.409 2.437 ( 0.000 11.449 17.115) 20.591 2.547 ( 0.000 8.402 -2.836) 8.868 2.746 ( 0.000 -2.469 6.685) 7.126 2.780 ( 0.000 -6.081 -5.614) 8.277 2.818 ( 0.000 5.205 12.411) 13.458 2.893 ( 0.000 -2.132 -7.297) 7.602 3.147 ( 0.000 -5.695 -3.167) 6.516 3.188 ( 0.000 -0.738 17.847) 17.862 3.411 ( 0.000 1.828 -4.803) 5.139 3.537 ( 0.000 -1.026 -2.969) 3.141 3.627 ( 0.000 -0.014 0.792) 0.792 3.853 ( 0.000 4.728 -8.502) 9.729 3.879 ( 0.000 -2.166 9.785) 10.022 4.060 ( 0.000 0.897 5.851) 5.920 4.086 ( 0.000 -3.628 -6.285) 7.257 4.376 ( 0.000 3.248 -7.569) 8.237 4.480 ( 0.000 6.872 -6.647) 9.560 4.541 ( 0.000 1.008 -9.404) 9.458 4.652 ( 0.000 5.154 3.662) 6.322 4.913 ( 0.000 -6.603 -13.154) 14.718 4.938 ( 0.000 4.722 -3.427) 5.835 5.042 ( 0.000 1.586 4.239) 4.526 5.377 ( 0.000 -10.946 -4.616) 11.879 5.443 ( 0.000 -8.117 -0.737) 8.150 5.486 ( 0.000 4.197 -3.722) 5.609 5.581 ( 0.000 1.423 -0.709) 1.590 5.632 ( 0.000 0.749 -1.415) 1.601 5.759 ( 0.000 0.767 5.080) 5.138 5.815 ( 0.000 -5.128 1.500) 5.343 5.858 ( 0.000 2.873 -3.634) 4.633 6.007 ( 0.000 3.632 5.219) 6.359 6.155 ( 0.000 8.707 -0.281) 8.711 6.277 ( 0.000 -1.646 -3.870) 4.205 6.402 ( 0.000 -3.611 -3.094) 4.755 6.448 ( 0.000 -1.962 13.098) 13.244 6.738 ( 0.000 -3.352 5.112) 6.113 6.786 ( 0.000 -0.848 -2.004) 2.176 6.885 ( 0.000 -1.677 -1.151) 2.034 6.997 ( 0.000 4.252 -4.557) 6.233 7.054 ( 0.000 -0.818 2.461) 2.593 7.271 ( 0.000 -1.532 5.751) 5.951 7.337 ( 0.000 -1.578 -0.535) 1.666 7.375 ( 0.000 1.327 2.850) 3.144 7.492 ( 0.000 -0.396 1.456) 1.509 7.579 ( 0.000 -4.415 5.645) 7.166 7.781 ( 0.000 -6.385 11.238) 12.925 7.836 ( 0.000 -6.540 -0.020) 6.540 8.163 ( 0.000 19.645 6.751) 20.773 8.329 ( 0.000 4.261 -9.748) 10.638 8.496 ( 0.000 6.457 -2.864) 7.064 8.567 ( 0.000 10.129 -3.866) 10.842 8.631 ( 0.000 2.581 -1.856) 3.179 9.067 ( 0.000 2.970 3.367) 4.490 9.177 ( 0.000 -3.646 2.726) 4.552 9.334 ( 0.000 -3.646 -5.196) 6.347 9.393 ( 0.000 0.713 -7.666) 7.699 9.600 ( 0.000 -4.364 -12.310) 13.061 9.640 ( 0.000 -5.260 -5.661) 7.728 10.225 ( 0.000 -9.635 -11.072) 14.677 10.538 ( 0.000 3.141 -8.797) 9.341 10.626 ( 0.000 -2.966 1.374) 3.269 10.782 ( 0.000 -3.851 -0.685) 3.911 10.890 ( 0.000 -0.868 -8.913) 8.955 11.651 ( 0.000 -7.344 3.722) 8.234 11.804 ( 0.000 -1.553 6.040) 6.237 11.854 ( 0.000 -5.059 -6.797) 8.474 12.050 ( 0.000 -8.034 0.359) 8.042 12.064 ( 0.000 -2.478 2.784) 3.727 12.219 ( 0.000 6.808 2.309) 7.189 12.258 ( 0.000 6.810 -2.066) 7.116 12.478 ( 0.000 5.064 -0.588) 5.098 12.552 ( 0.000 14.814 -5.072) 15.659 12.880 ( 0.000 -0.681 -2.695) 2.780 12.940 ( 0.000 -1.776 -0.600) 1.875 12.972 ( 0.000 -8.685 -4.143) 9.622 13.882 ( 0.000 -0.546 5.299) 5.327 13.956 ( 0.000 -5.648 2.143) 6.041 14.061 ( 0.000 3.666 6.389) 7.366 14.127 ( 0.000 0.935 6.270) 6.339 14.253 ( 0.000 0.097 9.212) 9.212 14.454 ( 0.000 -4.245 3.102) 5.258 14.504 ( 0.000 0.005 -5.176) 5.176 14.564 ( 0.000 -5.260 2.690) 5.908 14.807 ( 0.000 3.351 -4.691) 5.765 14.848 ( 0.000 7.832 -2.709) 8.287 15.143 ( 0.000 1.177 -0.222) 1.197 15.309 ( 0.000 -2.963 0.352) 2.984 15.491 ( 0.000 -0.444 -0.358) 0.570 15.597 ( 0.000 10.417 0.565) 10.432 15.665 ( 0.000 -4.401 2.570) 5.096 16.068 ( 0.000 -15.950 -2.230) 16.106 16.223 ( 0.000 20.487 -10.062) 22.825 16.932 ( 0.000 13.148 -17.861) 22.178 17.220 ( 0.000 -0.143 2.648) 2.652 17.629 ( 0.000 -9.775 -0.470) 9.786 18.227 ( 0.000 3.218 -1.131) 3.411 18.409 ( 0.000 -2.107 -0.364) 2.138 18.418 ( 0.000 -2.192 -16.558) 16.702 18.577 ( 0.000 -0.958 -7.588) 7.648 24.549 ( 0.000 1.485 -1.653) 2.222 24.659 ( 0.000 -0.515 -1.660) 1.738 24.884 ( 0.000 -1.737 -3.217) 3.656 25.137 ( 0.000 -7.671 -11.097) 13.490 26.457 ( 0.000 0.628 2.913) 2.980 26.513 ( 0.000 0.047 2.504) 2.504 26.551 ( 0.000 -1.288 3.617) 3.840 26.681 ( 0.000 -3.634 3.677) 5.170 27.946 ( 0.000 1.469 3.741) 4.019 28.193 ( 0.000 1.401 6.677) 6.823 28.202 ( 0.000 -1.087 4.404) 4.537 28.279 ( 0.000 5.890 1.845) 6.173 28.315 ( 0.000 -1.091 4.484) 4.615 28.390 ( 0.000 3.831 1.795) 4.230 28.565 ( 0.000 2.969 1.004) 3.134 28.648 ( 0.000 3.314 0.952) 3.448 28.655 ( 0.000 12.048 -1.914) 12.199 29.094 ( 0.000 1.066 6.852) 6.935 29.130 ( 0.000 -3.977 4.813) 6.244 29.396 ( 0.000 -1.033 -6.084) 6.172 29.709 ( 0.000 0.213 -4.267) 4.272 29.929 ( 0.000 -3.316 4.982) 5.985 29.978 ( 0.000 0.490 1.701) 1.770 30.181 ( 0.000 -2.364 7.065) 7.450 30.207 ( 0.000 1.218 1.828) 2.197 30.525 ( 0.000 2.315 -13.818) 14.010 30.676 ( 0.000 -4.008 -3.086) 5.059 31.246 ( 0.000 -14.275 -2.215) 14.446 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.368 7.434 20.792) 23.278 1.616 ( 12.640 1.843 26.719) 29.615 2.005 ( -16.730 2.931 6.409) 18.154 2.127 ( -12.428 4.374 12.050) 17.854 2.329 ( 4.974 3.273 5.343) 8.000 2.478 ( -1.518 5.313 -2.924) 6.252 2.624 ( 8.446 10.843 16.421) 21.414 2.748 ( 0.445 -3.876 3.347) 5.140 2.781 ( 0.013 -5.207 -1.708) 5.480 2.892 ( 1.807 -6.326 -6.316) 9.120 3.001 ( 13.806 6.964 12.096) 19.632 3.077 ( -5.004 -4.759 -1.864) 7.153 3.133 ( -5.745 0.273 14.009) 15.144 3.419 ( 0.537 0.450 -2.840) 2.925 3.492 ( -2.553 -0.467 -2.563) 3.648 3.662 ( -15.044 2.598 12.456) 19.703 3.769 ( 7.844 0.777 1.283) 7.986 3.876 ( 2.250 4.089 -7.589) 8.909 4.018 ( -3.925 1.441 -1.266) 4.369 4.084 ( -2.324 -0.770 -2.643) 3.603 4.369 ( 1.628 2.146 -7.927) 8.372 4.486 ( -2.272 -1.035 -10.342) 10.639 4.644 ( 8.879 1.189 -7.151) 11.463 4.680 ( 3.391 5.023 3.107) 6.810 4.841 ( -5.782 1.839 -0.139) 6.069 4.898 ( -3.000 -5.285 -12.594) 13.984 5.158 ( 8.815 4.391 1.289) 9.932 5.380 ( 0.295 -10.252 -3.554) 10.854 5.410 ( -2.092 -4.629 -2.373) 5.607 5.489 ( -4.177 3.549 -2.967) 6.233 5.626 ( 5.915 0.326 -1.306) 6.067 5.677 ( 5.688 -0.021 -1.245) 5.823 5.774 ( -1.610 1.078 0.403) 1.979 5.802 ( 1.814 -2.185 3.583) 4.572 5.877 ( 1.492 1.708 -1.534) 2.738 5.986 ( -2.621 3.935 3.643) 5.968 6.151 ( -0.855 6.462 0.325) 6.526 6.240 ( -4.157 -1.690 -3.431) 5.648 6.361 ( -0.351 -3.325 0.322) 3.359 6.466 ( -0.571 -4.263 9.559) 10.483 6.708 ( -3.241 -1.869 3.120) 4.872 6.731 ( -4.163 1.345 1.726) 4.703 6.904 ( 2.266 -5.254 -1.160) 5.839 6.983 ( -1.936 1.755 -4.480) 5.186 7.091 ( 4.678 0.036 1.049) 4.794 7.252 ( -1.482 0.961 2.962) 3.448 7.346 ( -0.171 0.457 -1.797) 1.863 7.426 ( 5.134 -2.769 5.551) 8.052 7.444 ( -3.118 0.727 1.272) 3.445 7.615 ( 1.916 -3.622 4.523) 6.103 7.787 ( -0.310 -8.048 11.808) 14.294 7.800 ( -2.838 -7.755 1.904) 8.475 8.141 ( -1.337 19.249 5.824) 20.155 8.277 ( -6.531 7.844 -8.105) 13.034 8.482 ( -0.312 7.048 1.751) 7.269 8.549 ( -1.946 10.257 -2.246) 10.679 8.701 ( 7.130 1.072 -2.369) 7.589 9.086 ( -4.696 -2.941 -3.778) 6.707 9.177 ( -2.987 1.493 -0.581) 3.389 9.217 ( 5.741 -1.288 1.024) 5.972 9.374 ( -2.187 0.156 -5.182) 5.627 9.575 ( -6.570 -3.865 -0.426) 7.635 9.819 ( 14.513 -5.834 -15.317) 21.892 10.187 ( -4.385 -9.359 -12.476) 16.201 10.501 ( -0.008 2.845 -5.619) 6.298 10.672 ( 1.529 -2.181 -2.068) 3.372 10.731 ( -2.159 -0.901 -2.248) 3.245 10.879 ( -2.566 -2.255 -5.695) 6.641 11.555 ( -4.397 -5.440 3.258) 7.716 11.690 ( -8.792 -0.326 5.079) 10.159 11.926 ( 1.781 -6.682 -5.534) 8.857 11.989 ( -4.207 1.584 2.911) 5.355 12.156 ( 7.058 -3.094 -0.987) 7.769 12.301 ( 4.136 5.833 -1.873) 7.392 12.360 ( 11.321 1.356 -2.396) 11.651 12.578 ( 7.262 3.351 -0.398) 8.008 12.593 ( 4.247 9.628 -6.096) 12.162 12.800 ( -4.177 -0.331 -1.663) 4.508 12.915 ( -4.393 -1.150 -2.082) 4.995 12.950 ( -3.418 -6.303 -0.113) 7.171 13.844 ( -2.092 -1.804 6.540) 7.100 13.917 ( -4.319 -1.298 3.080) 5.461 14.114 ( 4.263 0.762 7.993) 9.090 14.147 ( 2.734 -3.010 3.230) 5.193 14.253 ( 0.327 2.161 6.065) 6.447 14.440 ( -4.378 -4.228 -2.950) 6.763 14.516 ( 3.177 -2.866 0.114) 4.280 14.580 ( 0.805 -5.794 1.543) 6.050 14.825 ( 1.904 4.928 -3.048) 6.099 14.870 ( 1.205 9.027 -3.174) 9.645 15.199 ( 5.912 0.667 0.274) 5.956 15.341 ( 3.283 -3.654 0.394) 4.928 15.443 ( -3.517 -0.307 -0.931) 3.651 15.608 ( -5.655 2.270 3.728) 7.143 15.710 ( 8.095 -0.736 -0.991) 8.188 15.978 ( -4.322 -10.207 -3.245) 11.550 16.318 ( 6.730 16.302 -12.682) 21.723 16.765 ( -13.612 14.185 -15.953) 25.318 17.346 ( 9.366 -1.356 -0.491) 9.476 17.600 ( -3.269 -8.441 -0.558) 9.069 18.244 ( 2.119 2.344 -0.864) 3.276 18.366 ( -3.007 -1.568 -0.282) 3.403 18.453 ( 2.483 -2.095 -14.320) 14.684 18.562 ( -1.839 -1.230 -8.127) 8.423 24.616 ( 5.433 0.625 -3.670) 6.586 24.672 ( 1.160 -0.255 -2.160) 2.465 24.900 ( 2.334 -3.108 -4.436) 5.898 25.096 ( -4.346 -7.427 -10.901) 13.888 26.457 ( 0.099 0.663 2.985) 3.059 26.487 ( -1.646 0.379 2.986) 3.431 26.586 ( 2.594 -1.868 3.267) 4.571 26.668 ( -1.362 -3.437 3.540) 5.118 27.982 ( 3.846 1.340 4.439) 6.024 28.166 ( -3.246 0.842 5.976) 6.853 28.212 ( 1.283 -0.211 5.301) 5.458 28.275 ( -0.771 5.413 3.147) 6.308 28.310 ( -0.303 -1.097 3.536) 3.715 28.357 ( -2.693 4.308 1.694) 5.355 28.552 ( -1.160 5.578 0.934) 5.773 28.589 ( -3.348 8.800 1.129) 9.482 28.748 ( 7.548 3.294 -1.494) 8.370 29.102 ( -2.462 -1.443 3.598) 4.592 29.126 ( -0.153 -2.260 3.427) 4.108 29.239 ( -8.499 1.871 0.429) 8.713 29.896 ( 12.602 -1.999 -6.255) 14.211 29.947 ( 2.078 -2.353 4.053) 5.127 30.003 ( 2.721 0.295 1.028) 2.924 30.175 ( -0.713 -2.320 6.472) 6.912 30.195 ( -0.466 2.435 1.704) 3.008 30.451 ( -7.618 2.390 -12.925) 15.192 30.731 ( 5.859 -4.987 -0.882) 7.744 31.120 ( -11.831 -11.471 1.029) 16.511 ======================= Grid point 77 (30/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -16.627 6.221 11.785) 21.308 1.677 ( 16.627 6.221 11.785) 21.308 1.875 ( -14.416 3.964 20.236) 25.160 1.875 ( 14.416 3.964 20.236) 25.160 2.421 ( -4.299 3.033 -2.471) 5.813 2.421 ( 4.299 3.033 -2.471) 5.813 2.739 ( -2.489 -4.968 4.072) 6.889 2.739 ( 2.489 -4.968 4.072) 6.889 2.855 ( -7.259 2.147 7.765) 10.844 2.855 ( 7.259 2.147 7.765) 10.844 3.029 ( -1.883 -2.360 1.023) 3.187 3.029 ( 1.883 -2.360 1.023) 3.187 3.307 ( -16.772 4.438 14.663) 22.716 3.307 ( 16.772 4.438 14.663) 22.716 3.461 ( -1.309 1.347 -1.579) 2.454 3.461 ( 1.309 1.347 -1.579) 2.454 3.899 ( -3.358 0.615 -3.328) 4.768 3.899 ( 3.358 0.615 -3.328) 4.768 3.999 ( -4.854 3.600 -3.074) 6.780 3.999 ( 4.854 3.600 -3.074) 6.780 4.425 ( -3.735 -0.866 -9.339) 10.095 4.425 ( 3.735 -0.866 -9.339) 10.095 4.742 ( -4.677 3.031 2.146) 5.973 4.742 ( 4.677 3.031 2.146) 5.973 4.808 ( -6.771 -3.785 -10.203) 12.817 4.808 ( 6.771 -3.785 -10.203) 12.817 5.317 ( -7.354 3.697 -2.368) 8.565 5.317 ( 7.354 3.697 -2.368) 8.565 5.415 ( -2.529 -6.050 -1.281) 6.681 5.415 ( 2.529 -6.050 -1.281) 6.681 5.700 ( -3.911 0.709 -1.916) 4.413 5.700 ( 3.911 0.709 -1.916) 4.413 5.825 ( -4.076 1.798 1.734) 4.781 5.825 ( 4.076 1.798 1.734) 4.781 5.910 ( -3.974 1.444 -0.033) 4.229 5.910 ( 3.974 1.444 -0.033) 4.229 6.155 ( -2.991 1.233 -1.614) 3.616 6.155 ( 2.991 1.233 -1.614) 3.616 6.414 ( -4.427 -4.526 5.454) 8.357 6.414 ( 4.427 -4.526 5.454) 8.357 6.677 ( -1.079 0.440 2.109) 2.410 6.677 ( 1.079 0.440 2.109) 2.410 6.943 ( -1.949 -3.962 -1.100) 4.551 6.943 ( 1.949 -3.962 -1.100) 4.551 7.201 ( -5.419 1.833 0.728) 5.766 7.201 ( 5.419 1.833 0.728) 5.766 7.358 ( -2.991 0.931 -2.126) 3.786 7.358 ( 2.991 0.931 -2.126) 3.786 7.578 ( -7.143 -3.403 5.070) 9.397 7.578 ( 7.143 -3.403 5.070) 9.397 7.768 ( -1.129 -9.878 9.126) 13.496 7.768 ( 1.129 -9.878 9.126) 13.496 8.156 ( -3.948 16.058 0.854) 16.558 8.156 ( 3.948 16.058 0.854) 16.558 8.506 ( -2.340 8.979 -0.287) 9.284 8.506 ( 2.340 8.979 -0.287) 9.284 8.877 ( -11.573 -1.366 -3.780) 12.252 8.877 ( 11.573 -1.366 -3.780) 12.252 9.280 ( -5.863 -0.654 -2.899) 6.573 9.280 ( 5.863 -0.654 -2.899) 6.573 9.397 ( -10.446 -0.542 1.860) 10.624 9.397 ( 10.446 -0.542 1.860) 10.624 10.055 ( -10.192 -7.893 -14.410) 19.335 10.055 ( 10.192 -7.893 -14.410) 19.335 10.577 ( -6.962 0.869 -6.159) 9.336 10.577 ( 6.962 0.869 -6.159) 9.336 10.802 ( -5.314 -1.826 -2.085) 5.993 10.802 ( 5.314 -1.826 -2.085) 5.993 11.554 ( -4.400 -2.609 3.791) 6.367 11.554 ( 4.400 -2.609 3.791) 6.367 11.937 ( -1.071 0.180 -0.155) 1.097 11.937 ( 1.071 0.180 -0.155) 1.097 12.295 ( -5.697 0.053 -2.467) 6.209 12.295 ( 5.697 0.053 -2.467) 6.209 12.530 ( -6.520 2.141 -7.087) 9.865 12.530 ( 6.520 2.141 -7.087) 9.865 12.780 ( -9.393 3.177 -1.749) 10.069 12.780 ( 9.393 3.177 -1.749) 10.069 12.842 ( -6.475 -2.738 2.167) 7.356 12.842 ( 6.475 -2.738 2.167) 7.356 13.844 ( -2.448 -1.490 5.985) 6.636 13.844 ( 2.448 -1.490 5.985) 6.636 14.168 ( -1.830 -0.672 7.330) 7.585 14.168 ( 1.830 -0.672 7.330) 7.585 14.326 ( -6.977 -2.692 -2.714) 7.956 14.326 ( 6.977 -2.692 -2.714) 7.956 14.569 ( -2.018 -5.331 0.745) 5.749 14.569 ( 2.018 -5.331 0.745) 5.749 14.864 ( -1.728 7.937 -2.543) 8.512 14.864 ( 1.728 7.937 -2.543) 8.512 15.331 ( -6.588 -0.421 -1.327) 6.734 15.331 ( 6.588 -0.421 -1.327) 6.734 15.459 ( -7.309 -0.955 3.844) 8.314 15.459 ( 7.309 -0.955 3.844) 8.314 15.878 ( -8.202 -7.958 -3.664) 12.002 15.878 ( 8.202 -7.958 -3.664) 12.002 16.502 ( -13.528 17.622 -15.954) 27.351 16.502 ( 13.528 17.622 -15.954) 27.351 17.504 ( -7.159 -5.131 -0.793) 8.844 17.504 ( 7.159 -5.131 -0.793) 8.844 18.303 ( -3.717 0.139 -0.367) 3.738 18.303 ( 3.717 0.139 -0.367) 3.738 18.510 ( -3.416 -1.709 -10.586) 11.254 18.510 ( 3.416 -1.709 -10.586) 11.254 24.680 ( -1.095 0.279 -3.345) 3.531 24.680 ( 1.095 0.279 -3.345) 3.531 24.988 ( -6.532 -6.143 -8.842) 12.593 24.988 ( 6.532 -6.143 -8.842) 12.593 26.464 ( -0.762 0.663 3.105) 3.265 26.464 ( 0.762 0.663 3.105) 3.265 26.633 ( -2.352 -2.802 3.319) 4.939 26.633 ( 2.352 -2.802 3.319) 4.939 28.077 ( -5.833 0.716 5.666) 8.163 28.077 ( 5.833 0.716 5.666) 8.163 28.244 ( -2.070 2.582 5.081) 6.063 28.244 ( 2.070 2.582 5.081) 6.063 28.319 ( -1.285 2.118 1.921) 3.135 28.319 ( 1.285 2.118 1.921) 3.135 28.546 ( -0.963 7.866 1.261) 8.024 28.546 ( 0.963 7.866 1.261) 8.024 28.926 ( -11.250 -0.282 -2.356) 11.497 28.926 ( 11.250 -0.282 -2.356) 11.497 29.167 ( -2.516 0.571 5.472) 6.050 29.167 ( 2.516 0.571 5.472) 6.050 29.980 ( -1.301 -1.373 0.940) 2.112 29.980 ( 1.301 -1.373 0.940) 2.112 30.122 ( -5.433 -2.771 2.491) 6.588 30.122 ( 5.433 -2.771 2.491) 6.588 30.275 ( -9.552 3.819 -7.318) 12.625 30.275 ( 9.552 3.819 -7.318) 12.625 30.891 ( -11.328 -7.567 2.431) 13.838 30.891 ( 11.328 -7.567 2.431) 13.838 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 14.086 11.076) 17.919 1.679 ( 0.000 16.535 16.751) 23.537 2.212 ( 0.000 -1.510 -3.395) 3.715 2.267 ( 0.000 -0.575 3.206) 3.257 2.384 ( 0.000 -3.734 -2.502) 4.495 2.455 ( 0.000 -11.540 3.056) 11.938 2.515 ( 0.000 -5.375 4.573) 7.057 2.607 ( 0.000 -1.583 8.467) 8.613 2.779 ( 0.000 4.447 0.167) 4.450 2.875 ( 0.000 3.144 -2.205) 3.840 2.993 ( 0.000 -7.123 0.207) 7.126 3.138 ( 0.000 -4.419 11.966) 12.756 3.199 ( 0.000 18.350 16.770) 24.859 3.488 ( 0.000 2.380 -2.071) 3.156 3.556 ( 0.000 5.719 -2.871) 6.399 3.643 ( 0.000 1.516 1.925) 2.450 3.822 ( 0.000 -3.289 5.092) 6.062 3.912 ( 0.000 0.129 -3.965) 3.968 4.063 ( 0.000 2.535 -5.381) 5.948 4.094 ( 0.000 2.584 4.517) 5.203 4.387 ( 0.000 -1.262 -10.627) 10.701 4.611 ( 0.000 4.421 -2.040) 4.869 4.618 ( 0.000 4.220 -4.751) 6.355 4.666 ( 0.000 -8.271 -1.155) 8.351 4.865 ( 0.000 6.192 0.974) 6.268 5.077 ( 0.000 1.542 4.546) 4.800 5.077 ( 0.000 7.111 -1.814) 7.339 5.193 ( 0.000 -6.368 1.837) 6.627 5.291 ( 0.000 -4.146 0.405) 4.165 5.541 ( 0.000 0.913 -0.530) 1.056 5.630 ( 0.000 -0.952 -2.320) 2.508 5.641 ( 0.000 2.750 -3.724) 4.629 5.695 ( 0.000 -5.399 -1.954) 5.741 5.771 ( 0.000 0.786 0.210) 0.814 5.904 ( 0.000 1.153 2.299) 2.572 6.038 ( 0.000 -1.465 3.551) 3.841 6.234 ( 0.000 -1.435 2.464) 2.851 6.257 ( 0.000 0.320 -0.904) 0.959 6.367 ( 0.000 1.630 -0.848) 1.837 6.422 ( 0.000 -0.637 5.928) 5.962 6.650 ( 0.000 -4.365 4.296) 6.125 6.665 ( 0.000 -6.918 -1.306) 7.040 6.942 ( 0.000 6.671 0.203) 6.674 7.077 ( 0.000 2.534 -5.760) 6.293 7.111 ( 0.000 4.204 5.337) 6.794 7.240 ( 0.000 -1.142 7.167) 7.258 7.271 ( 0.000 -3.964 0.607) 4.010 7.408 ( 0.000 -4.842 2.253) 5.341 7.443 ( 0.000 0.665 10.788) 10.809 7.545 ( 0.000 0.305 1.789) 1.815 7.637 ( 0.000 -5.258 1.566) 5.486 7.681 ( 0.000 -7.603 1.635) 7.776 8.455 ( 0.000 6.308 -3.512) 7.220 8.502 ( 0.000 7.755 -4.723) 9.080 8.632 ( 0.000 7.537 -12.954) 14.987 8.743 ( 0.000 11.161 3.269) 11.630 8.811 ( 0.000 10.859 -3.218) 11.326 9.083 ( 0.000 -5.145 3.773) 6.381 9.132 ( 0.000 1.111 -7.248) 7.332 9.288 ( 0.000 4.119 2.412) 4.774 9.418 ( 0.000 1.792 -5.856) 6.124 9.486 ( 0.000 -8.813 -11.140) 14.204 9.521 ( 0.000 -3.647 -2.030) 4.174 9.947 ( 0.000 -17.051 -6.172) 18.133 10.563 ( 0.000 -2.518 0.885) 2.669 10.566 ( 0.000 -1.012 -5.128) 5.227 10.762 ( 0.000 2.076 -6.554) 6.875 10.865 ( 0.000 -1.615 -8.986) 9.130 11.505 ( 0.000 -3.003 -2.462) 3.883 11.710 ( 0.000 -8.541 -9.781) 12.985 11.881 ( 0.000 4.660 8.182) 9.416 11.939 ( 0.000 -2.445 3.630) 4.376 12.045 ( 0.000 2.009 -0.947) 2.221 12.364 ( 0.000 0.353 1.305) 1.352 12.364 ( 0.000 4.841 0.895) 4.923 12.469 ( 0.000 -2.659 -5.435) 6.050 12.764 ( 0.000 4.410 -2.292) 4.970 12.847 ( 0.000 -1.881 -1.036) 2.147 12.901 ( 0.000 2.672 -2.356) 3.562 12.964 ( 0.000 4.057 -3.600) 5.424 13.818 ( 0.000 -5.380 3.339) 6.332 13.854 ( 0.000 -2.502 1.659) 3.002 14.135 ( 0.000 0.093 9.428) 9.429 14.145 ( 0.000 2.849 3.222) 4.301 14.261 ( 0.000 0.506 3.644) 3.678 14.350 ( 0.000 -5.058 1.680) 5.329 14.483 ( 0.000 -1.474 1.660) 2.220 14.505 ( 0.000 -0.284 -2.730) 2.745 14.889 ( 0.000 4.657 2.059) 5.092 14.990 ( 0.000 4.017 -1.301) 4.222 15.208 ( 0.000 4.459 -2.903) 5.321 15.295 ( 0.000 1.888 -0.275) 1.908 15.428 ( 0.000 -4.712 0.952) 4.808 15.614 ( 0.000 -9.311 -3.056) 9.800 15.656 ( 0.000 3.282 3.252) 4.620 15.863 ( 0.000 -3.476 5.650) 6.633 16.658 ( 0.000 20.579 -8.874) 22.411 17.128 ( 0.000 5.697 -14.992) 16.038 17.217 ( 0.000 -0.195 -1.079) 1.097 17.380 ( 0.000 -13.793 -4.295) 14.446 18.266 ( 0.000 0.714 -3.998) 4.061 18.358 ( 0.000 -3.313 -12.730) 13.154 18.415 ( 0.000 2.839 -0.423) 2.871 18.545 ( 0.000 -2.183 -5.921) 6.311 24.589 ( 0.000 2.217 -1.551) 2.705 24.647 ( 0.000 -0.644 -1.499) 1.631 24.850 ( 0.000 -1.052 -3.318) 3.481 24.973 ( 0.000 -7.176 -6.525) 9.699 26.475 ( 0.000 1.067 2.634) 2.842 26.511 ( 0.000 -0.331 2.943) 2.961 26.536 ( 0.000 -0.009 3.902) 3.902 26.603 ( 0.000 -3.370 3.263) 4.690 27.991 ( 0.000 2.869 5.104) 5.855 28.136 ( 0.000 -3.696 5.641) 6.744 28.236 ( 0.000 2.157 7.420) 7.727 28.297 ( 0.000 -0.803 6.395) 6.445 28.423 ( 0.000 6.005 0.159) 6.007 28.536 ( 0.000 9.425 0.479) 9.438 28.568 ( 0.000 -1.531 -1.193) 1.941 28.753 ( 0.000 4.070 2.384) 4.717 28.869 ( 0.000 7.382 -0.578) 7.405 29.022 ( 0.000 -5.796 1.286) 5.937 29.133 ( 0.000 3.179 3.552) 4.767 29.351 ( 0.000 -3.767 -1.745) 4.152 29.725 ( 0.000 1.481 -1.320) 1.984 29.840 ( 0.000 -4.448 5.580) 7.136 29.994 ( 0.000 1.185 1.723) 2.091 30.105 ( 0.000 -4.004 3.591) 5.378 30.283 ( 0.000 5.497 -1.736) 5.764 30.563 ( 0.000 -6.597 -3.841) 7.634 30.593 ( 0.000 4.440 -11.749) 12.559 30.945 ( 0.000 -13.330 -3.660) 13.823 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 7.446 14.111 7.926) 17.815 1.779 ( 9.924 13.455 17.259) 24.029 2.095 ( -10.997 5.013 0.596) 12.100 2.233 ( -7.948 4.895 7.857) 12.201 2.338 ( 0.237 -4.970 -1.195) 5.117 2.440 ( -3.317 -8.506 -1.700) 9.287 2.495 ( 2.527 -14.998 2.978) 15.498 2.633 ( -0.761 -5.158 4.485) 6.877 2.838 ( 4.325 4.609 2.504) 6.799 2.887 ( 1.042 2.944 -2.043) 3.732 2.964 ( -1.460 -3.625 1.173) 4.080 3.102 ( -3.638 -2.844 11.625) 12.509 3.271 ( 7.266 14.493 14.408) 21.690 3.469 ( -1.779 3.514 -1.093) 4.087 3.504 ( -1.670 2.182 -1.269) 3.026 3.676 ( -5.600 -1.424 4.233) 7.163 3.817 ( 5.370 3.274 3.213) 7.062 3.960 ( 2.813 3.366 -2.554) 5.076 4.035 ( -1.473 1.137 -5.325) 5.641 4.099 ( -0.143 2.573 2.817) 3.818 4.395 ( 0.960 -0.500 -9.284) 9.347 4.531 ( -5.466 5.204 -2.858) 8.071 4.647 ( 1.204 -1.456 -4.023) 4.445 4.674 ( 0.407 -8.452 -3.150) 9.029 4.862 ( 0.009 7.398 2.135) 7.700 4.949 ( -5.153 5.330 2.525) 7.831 5.185 ( 1.284 -6.200 -0.347) 6.341 5.219 ( 1.598 -6.121 1.682) 6.546 5.339 ( 7.380 5.309 -0.061) 9.092 5.579 ( -2.374 2.034 -1.275) 3.377 5.651 ( 1.935 1.530 -3.262) 4.089 5.667 ( 4.714 -1.354 -2.234) 5.389 5.706 ( 4.045 -2.958 -2.322) 5.523 5.808 ( 3.873 0.168 0.692) 3.938 5.905 ( -0.061 0.828 1.954) 2.123 6.028 ( -2.147 -0.827 1.915) 2.994 6.202 ( -2.862 -0.995 1.905) 3.579 6.246 ( -1.585 0.870 0.717) 1.945 6.304 ( -4.052 0.046 -0.677) 4.108 6.392 ( -3.495 -2.586 5.984) 7.397 6.648 ( 1.396 -2.313 3.384) 4.330 6.735 ( 4.571 -4.224 -0.658) 6.259 6.838 ( -6.540 3.582 3.010) 8.041 7.026 ( -6.983 1.074 -7.189) 10.080 7.147 ( 3.865 3.880 1.181) 5.602 7.263 ( 2.397 -1.376 1.477) 3.134 7.327 ( 4.351 -1.604 3.038) 5.544 7.391 ( -0.517 -0.057 3.742) 3.778 7.450 ( 0.104 -0.492 8.240) 8.255 7.551 ( -0.300 -3.000 3.266) 4.445 7.570 ( -5.256 -8.870 5.901) 11.880 7.640 ( -4.496 -7.563 2.880) 9.258 8.439 ( -0.520 8.813 -3.891) 9.648 8.505 ( -1.973 10.478 -9.627) 14.365 8.631 ( 2.439 3.502 -3.562) 5.559 8.785 ( 3.470 12.400 -1.592) 12.974 8.802 ( -1.375 9.045 0.456) 9.161 9.023 ( -7.622 -0.152 -3.033) 8.205 9.149 ( 3.907 -3.438 -0.787) 5.263 9.271 ( 2.820 6.719 1.850) 7.518 9.373 ( -3.484 -0.809 -4.663) 5.877 9.502 ( -3.019 -2.729 -1.294) 4.270 9.647 ( 10.952 -9.839 -10.221) 17.923 9.915 ( -3.489 -16.449 -7.350) 18.351 10.547 ( 1.404 1.358 -3.256) 3.797 10.640 ( 4.949 -1.832 -2.712) 5.933 10.725 ( -3.652 1.591 -5.500) 6.791 10.836 ( -3.053 -2.080 -7.163) 8.060 11.480 ( 0.162 -0.062 -0.435) 0.468 11.726 ( -3.300 -2.521 -3.775) 5.612 11.782 ( -4.002 -1.477 0.811) 4.342 11.979 ( -2.948 -2.933 1.252) 4.343 12.132 ( 10.549 1.512 -1.883) 10.822 12.307 ( 6.564 -4.036 -4.457) 8.902 12.502 ( 2.173 7.039 -3.250) 8.052 12.593 ( 10.099 1.688 2.124) 10.457 12.706 ( -6.816 1.264 -4.277) 8.145 12.783 ( -2.432 -1.188 -1.099) 2.921 12.871 ( -1.525 0.033 -0.645) 1.656 12.966 ( -2.715 2.804 -2.064) 4.415 13.793 ( 0.146 -1.487 3.937) 4.211 13.906 ( 1.135 -0.640 1.920) 2.320 14.048 ( -3.177 -3.164 3.647) 5.780 14.148 ( -1.103 -0.690 6.239) 6.373 14.305 ( 1.629 2.302 3.713) 4.662 14.343 ( -1.163 -3.215 1.229) 3.634 14.471 ( -0.487 -2.913 0.658) 3.026 14.483 ( -1.324 -2.111 -0.532) 2.548 14.949 ( 5.517 6.593 1.358) 8.704 15.057 ( 4.925 6.844 -0.808) 8.470 15.224 ( 1.978 1.965 -0.776) 2.894 15.312 ( 2.926 1.127 -0.966) 3.281 15.434 ( -1.868 -0.999 -0.134) 2.123 15.578 ( -4.019 -8.722 -0.599) 9.622 15.615 ( -1.217 -1.315 3.193) 3.661 15.832 ( -3.664 -4.674 4.343) 7.357 16.710 ( 5.606 19.076 -10.887) 22.668 17.017 ( -8.091 9.902 -12.657) 17.992 17.293 ( 4.189 -4.057 -5.513) 8.025 17.379 ( -0.246 -12.295 -4.096) 12.961 18.280 ( 1.640 1.165 -3.149) 3.737 18.366 ( -0.294 0.290 -3.894) 3.915 18.406 ( 0.443 -0.810 -7.286) 7.344 18.523 ( -2.454 -2.566 -6.199) 7.144 24.639 ( 4.494 1.556 -2.686) 5.462 24.669 ( 2.191 0.016 -1.992) 2.961 24.837 ( -0.969 -2.339 -3.268) 4.134 24.937 ( -3.771 -7.002 -6.250) 10.115 26.477 ( 0.275 1.238 2.905) 3.170 26.501 ( -0.787 1.001 3.356) 3.590 26.550 ( 1.192 -1.541 3.416) 3.933 26.595 ( -0.851 -3.208 3.226) 4.629 28.024 ( 3.447 2.665 5.560) 7.064 28.157 ( 2.217 -3.345 5.705) 6.975 28.199 ( -3.848 1.921 7.408) 8.566 28.271 ( -2.579 -1.440 6.283) 6.943 28.432 ( 1.094 6.601 0.256) 6.696 28.511 ( -2.258 9.137 0.466) 9.424 28.598 ( 2.697 -0.870 -0.853) 2.959 28.721 ( -3.159 3.429 1.359) 4.856 28.876 ( 1.717 6.719 -0.242) 6.940 29.044 ( 0.055 -2.854 -0.258) 2.867 29.105 ( -1.721 -0.038 3.797) 4.169 29.248 ( -6.651 -1.632 1.268) 6.965 29.869 ( 10.693 -0.565 -2.262) 10.944 29.892 ( 4.714 -2.062 3.788) 6.390 30.010 ( 1.421 0.639 1.152) 1.938 30.107 ( -0.276 -3.720 3.492) 5.109 30.287 ( 1.169 5.967 -2.408) 6.540 30.517 ( -6.526 3.670 -10.281) 12.718 30.599 ( 2.966 -6.749 -3.051) 7.979 30.863 ( -7.968 -12.016 -2.187) 14.582 ======================= Grid point 82 (33/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -11.648 10.803 4.092) 16.405 1.856 ( 11.648 10.803 4.092) 16.405 2.017 ( -12.755 9.996 14.929) 22.033 2.017 ( 12.755 9.996 14.929) 22.033 2.382 ( -3.151 -8.640 -3.720) 9.921 2.382 ( 3.151 -8.640 -3.720) 9.921 2.570 ( -4.942 -11.562 3.463) 13.042 2.570 ( 4.942 -11.562 3.463) 13.042 2.882 ( -1.229 3.538 -2.696) 4.615 2.882 ( 1.229 3.538 -2.696) 4.615 3.015 ( -5.296 -0.680 9.641) 11.021 3.015 ( 5.296 -0.680 9.641) 11.021 3.416 ( -5.755 5.418 5.173) 9.446 3.416 ( 5.755 5.418 5.173) 9.446 3.528 ( -5.964 3.210 4.400) 8.077 3.528 ( 5.964 3.210 4.400) 8.077 3.930 ( -4.929 3.630 -0.657) 6.156 3.930 ( 4.929 3.630 -0.657) 6.156 4.070 ( -3.113 1.991 -1.669) 4.055 4.070 ( 3.113 1.991 -1.669) 4.055 4.438 ( -3.992 2.296 -5.492) 7.167 4.438 ( 3.992 2.296 -5.492) 7.167 4.669 ( -0.967 -6.765 -4.475) 8.169 4.669 ( 0.967 -6.765 -4.475) 8.169 4.881 ( -2.310 7.245 3.298) 8.288 4.881 ( 2.310 7.245 3.298) 8.288 5.209 ( -1.424 -7.801 0.420) 7.941 5.209 ( 1.424 -7.801 0.420) 7.941 5.488 ( -6.902 6.141 -1.949) 9.442 5.488 ( 6.902 6.141 -1.949) 9.442 5.676 ( -1.024 -2.462 -1.785) 3.209 5.676 ( 1.024 -2.462 -1.785) 3.209 5.866 ( -4.556 1.616 -0.637) 4.876 5.866 ( 4.556 1.616 -0.637) 4.876 5.918 ( -7.690 -0.606 0.125) 7.715 5.918 ( 7.690 -0.606 0.125) 7.715 6.184 ( -2.154 1.783 0.884) 2.932 6.184 ( 2.154 1.783 0.884) 2.932 6.315 ( -3.763 -4.285 4.286) 7.134 6.315 ( 3.763 -4.285 4.286) 7.134 6.705 ( -4.574 2.538 2.302) 5.715 6.705 ( 4.574 2.538 2.302) 5.715 6.873 ( -7.429 -3.126 -2.478) 8.432 6.873 ( 7.429 -3.126 -2.478) 8.432 7.262 ( -6.921 3.139 -0.205) 7.602 7.262 ( 6.921 3.139 -0.205) 7.602 7.356 ( -5.678 -0.855 -1.706) 5.990 7.356 ( 5.678 -0.855 -1.706) 5.990 7.494 ( -5.287 -5.134 7.838) 10.758 7.494 ( 5.287 -5.134 7.838) 10.758 7.559 ( -1.760 -7.805 8.171) 11.436 7.559 ( 1.760 -7.805 8.171) 11.436 8.453 ( -2.153 11.304 -6.564) 13.248 8.453 ( 2.153 11.304 -6.564) 13.248 8.721 ( -5.788 4.465 -2.684) 7.787 8.721 ( 5.788 4.465 -2.684) 7.787 8.884 ( -6.371 8.313 0.198) 10.475 8.884 ( 6.371 8.313 0.198) 10.475 9.257 ( -6.062 -2.057 -1.415) 6.556 9.257 ( 6.062 -2.057 -1.415) 6.556 9.400 ( -6.758 1.759 -0.446) 6.997 9.400 ( 6.758 1.759 -0.446) 6.997 9.818 ( -7.173 -14.392 -9.235) 18.544 9.818 ( 7.173 -14.392 -9.235) 18.544 10.615 ( -5.332 3.009 -5.211) 8.040 10.615 ( 5.332 3.009 -5.211) 8.040 10.758 ( -5.248 -2.606 -3.790) 6.978 10.758 ( 5.248 -2.606 -3.790) 6.978 11.557 ( -8.115 3.367 1.069) 8.850 11.557 ( 8.115 3.367 1.069) 8.850 11.859 ( -7.016 -7.428 -2.765) 10.585 11.859 ( 7.016 -7.428 -2.765) 10.585 12.365 ( -11.581 5.589 -2.846) 13.170 12.365 ( 11.581 5.589 -2.846) 13.170 12.516 ( -8.214 -2.003 -7.732) 11.457 12.516 ( 8.214 -2.003 -7.732) 11.457 12.782 ( -1.497 0.034 4.053) 4.320 12.782 ( 1.497 0.034 4.053) 4.320 12.865 ( -5.129 0.608 -2.152) 5.595 12.865 ( 5.129 0.608 -2.152) 5.595 13.842 ( -4.790 2.237 3.954) 6.602 13.842 ( 4.790 2.237 3.954) 6.602 14.093 ( -4.724 -6.537 2.350) 8.401 14.093 ( 4.724 -6.537 2.350) 8.401 14.318 ( -1.043 2.276 2.815) 3.767 14.318 ( 1.043 2.276 2.815) 3.767 14.472 ( -0.281 -4.080 0.723) 4.153 14.472 ( 0.281 -4.080 0.723) 4.153 15.053 ( -4.654 9.393 0.026) 10.483 15.053 ( 4.654 9.393 0.026) 10.483 15.332 ( -7.823 -1.943 -0.200) 8.064 15.332 ( 7.823 -1.943 -0.200) 8.064 15.422 ( -8.770 0.790 0.917) 8.853 15.422 ( 8.770 0.790 0.917) 8.853 15.718 ( -7.931 -8.139 2.571) 11.652 15.718 ( 7.931 -8.139 2.571) 11.652 16.854 ( -9.171 15.604 -13.291) 22.455 16.854 ( 9.171 15.604 -13.291) 22.455 17.355 ( -2.513 -9.008 -5.088) 10.646 17.355 ( 2.513 -9.008 -5.088) 10.646 18.325 ( -2.968 2.182 -1.252) 3.890 18.325 ( 2.968 2.182 -1.252) 3.890 18.459 ( -4.014 -3.129 -7.819) 9.330 18.459 ( 4.014 -3.129 -7.819) 9.330 24.697 ( -0.757 1.616 -3.028) 3.515 24.697 ( 0.757 1.616 -3.028) 3.515 24.855 ( -3.843 -6.041 -4.702) 8.566 24.855 ( 3.843 -6.041 -4.702) 8.566 26.487 ( -0.720 1.498 3.330) 3.722 26.487 ( 0.720 1.498 3.330) 3.722 26.574 ( -1.344 -2.687 3.203) 4.391 26.574 ( 1.344 -2.687 3.203) 4.391 28.108 ( -5.256 2.160 6.495) 8.630 28.108 ( 5.256 2.160 6.495) 8.630 28.213 ( -3.405 -2.557 6.225) 7.542 28.213 ( 3.405 -2.557 6.225) 7.542 28.465 ( -2.359 8.040 0.403) 8.389 28.465 ( 2.359 8.040 0.403) 8.389 28.656 ( -3.482 1.435 -0.081) 3.767 28.656 ( 3.482 1.435 -0.081) 3.767 28.951 ( -6.196 3.589 -0.467) 7.175 28.951 ( 6.196 3.589 -0.467) 7.175 29.152 ( -4.365 -2.579 3.318) 6.059 29.152 ( 4.365 -2.579 3.318) 6.059 29.965 ( -1.675 0.548 0.628) 1.871 29.965 ( 1.675 0.548 0.628) 1.871 30.066 ( -4.489 -2.849 1.227) 5.456 30.066 ( 4.489 -2.849 1.227) 5.456 30.369 ( -7.789 5.582 -6.437) 11.544 30.369 ( 7.789 5.582 -6.437) 11.544 30.702 ( -8.003 -9.811 -1.100) 12.708 30.702 ( 8.003 -9.811 -1.100) 12.708 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 -17.240 -1.071) 17.274 1.964 ( 0.000 17.240 -1.071) 17.274 2.057 ( 0.000 -16.313 6.495) 17.558 2.057 ( 0.000 16.313 6.495) 17.558 2.308 ( 0.000 -0.447 0.660) 0.798 2.308 ( 0.000 0.447 0.660) 0.798 2.567 ( 0.000 -4.646 3.087) 5.578 2.567 ( 0.000 4.646 3.087) 5.578 2.841 ( 0.000 -2.828 4.382) 5.216 2.841 ( 0.000 2.828 4.382) 5.216 3.020 ( 0.000 -6.217 4.943) 7.942 3.020 ( 0.000 6.217 4.943) 7.942 3.451 ( 0.000 -5.876 3.234) 6.707 3.451 ( 0.000 5.876 3.234) 6.707 3.671 ( 0.000 -0.296 1.369) 1.401 3.671 ( 0.000 0.296 1.369) 1.401 3.832 ( 0.000 -6.065 -0.034) 6.065 3.832 ( 0.000 6.065 -0.034) 6.065 4.134 ( 0.000 -1.575 -2.326) 2.809 4.134 ( 0.000 1.575 -2.326) 2.809 4.444 ( 0.000 -9.136 -1.784) 9.309 4.444 ( 0.000 9.136 -1.784) 9.309 4.657 ( 0.000 -0.150 -1.841) 1.847 4.657 ( 0.000 0.150 -1.841) 1.847 5.036 ( 0.000 -8.170 2.181) 8.456 5.036 ( 0.000 8.170 2.181) 8.456 5.108 ( 0.000 -2.009 4.220) 4.674 5.108 ( 0.000 2.009 4.220) 4.674 5.431 ( 0.000 -11.910 -0.889) 11.943 5.431 ( 0.000 11.910 -0.889) 11.943 5.605 ( 0.000 -0.901 -1.546) 1.789 5.605 ( 0.000 0.901 -1.546) 1.789 5.747 ( 0.000 -3.547 -4.115) 5.433 5.747 ( 0.000 3.547 -4.115) 5.433 5.959 ( 0.000 -4.586 5.016) 6.796 5.959 ( 0.000 4.586 5.016) 6.796 6.236 ( 0.000 -1.166 0.926) 1.489 6.236 ( 0.000 1.166 0.926) 1.489 6.407 ( 0.000 -1.222 1.496) 1.931 6.407 ( 0.000 1.222 1.496) 1.931 6.594 ( 0.000 -0.178 1.665) 1.675 6.594 ( 0.000 0.178 1.665) 1.675 7.084 ( 0.000 -3.476 -5.854) 6.809 7.084 ( 0.000 3.476 -5.854) 6.809 7.207 ( 0.000 -5.204 11.595) 12.709 7.207 ( 0.000 5.204 11.595) 12.709 7.231 ( 0.000 -2.866 5.627) 6.315 7.231 ( 0.000 2.866 5.627) 6.315 7.526 ( 0.000 -4.714 1.317) 4.894 7.526 ( 0.000 4.714 1.317) 4.894 7.582 ( 0.000 -0.597 0.129) 0.611 7.582 ( 0.000 0.597 0.129) 0.611 8.536 ( 0.000 -1.599 -4.518) 4.793 8.536 ( 0.000 1.599 -4.518) 4.793 8.817 ( 0.000 -8.129 -12.098) 14.576 8.817 ( 0.000 8.129 -12.098) 14.576 8.963 ( 0.000 -6.801 3.900) 7.840 8.963 ( 0.000 6.801 3.900) 7.840 9.262 ( 0.000 -11.969 -5.673) 13.245 9.262 ( 0.000 11.969 -5.673) 13.245 9.462 ( 0.000 -2.418 -4.293) 4.927 9.462 ( 0.000 2.418 -4.293) 4.927 9.558 ( 0.000 -18.743 -0.791) 18.759 9.558 ( 0.000 18.743 -0.791) 18.759 10.540 ( 0.000 -0.444 -1.169) 1.250 10.540 ( 0.000 0.444 -1.169) 1.250 10.820 ( 0.000 -2.743 -8.927) 9.339 10.820 ( 0.000 2.743 -8.927) 9.339 11.546 ( 0.000 -6.111 -6.766) 9.117 11.546 ( 0.000 6.111 -6.766) 9.117 11.920 ( 0.000 -0.223 4.816) 4.822 11.920 ( 0.000 0.223 4.816) 4.822 12.187 ( 0.000 -10.210 -0.509) 10.223 12.187 ( 0.000 10.210 -0.509) 10.223 12.459 ( 0.000 -2.087 -3.063) 3.707 12.459 ( 0.000 2.087 -3.063) 3.707 12.808 ( 0.000 -1.631 -1.712) 2.365 12.808 ( 0.000 1.631 -1.712) 2.365 12.989 ( 0.000 -3.058 -1.483) 3.399 12.989 ( 0.000 3.058 -1.483) 3.399 13.788 ( 0.000 -2.401 1.458) 2.809 13.788 ( 0.000 2.401 1.458) 2.809 14.156 ( 0.000 -1.425 6.808) 6.955 14.156 ( 0.000 1.425 6.808) 6.955 14.278 ( 0.000 -1.628 1.269) 2.064 14.278 ( 0.000 1.628 1.269) 2.064 14.489 ( 0.000 -1.085 -0.303) 1.126 14.489 ( 0.000 1.085 -0.303) 1.126 14.984 ( 0.000 -3.707 2.606) 4.532 14.984 ( 0.000 3.707 2.606) 4.532 15.307 ( 0.000 -4.562 -1.325) 4.751 15.307 ( 0.000 4.562 -1.325) 4.751 15.415 ( 0.000 -7.395 -0.952) 7.456 15.415 ( 0.000 7.395 -0.952) 7.456 15.768 ( 0.000 -6.184 3.950) 7.338 15.768 ( 0.000 6.184 3.950) 7.338 17.048 ( 0.000 -16.709 -6.066) 17.776 17.048 ( 0.000 16.709 -6.066) 17.776 17.206 ( 0.000 -0.837 -8.196) 8.238 17.206 ( 0.000 0.837 -8.196) 8.238 18.295 ( 0.000 -2.420 -8.094) 8.448 18.295 ( 0.000 2.420 -8.094) 8.448 18.486 ( 0.000 -3.404 -3.247) 4.705 18.486 ( 0.000 3.404 -3.247) 4.705 24.628 ( 0.000 -1.344 -1.377) 1.925 24.628 ( 0.000 1.344 -1.377) 1.925 24.865 ( 0.000 -2.979 -4.299) 5.230 24.865 ( 0.000 2.979 -4.299) 5.230 26.497 ( 0.000 -0.953 2.853) 3.008 26.497 ( 0.000 0.953 2.853) 3.008 26.552 ( 0.000 -1.567 3.398) 3.742 26.552 ( 0.000 1.567 3.398) 3.742 28.059 ( 0.000 -3.618 5.772) 6.812 28.059 ( 0.000 3.618 5.772) 6.812 28.275 ( 0.000 -1.464 7.693) 7.831 28.275 ( 0.000 1.464 7.693) 7.831 28.518 ( 0.000 -3.377 -0.364) 3.397 28.518 ( 0.000 3.377 -0.364) 3.397 28.725 ( 0.000 -7.156 0.055) 7.156 28.725 ( 0.000 7.156 0.055) 7.156 28.946 ( 0.000 -1.523 1.854) 2.400 28.946 ( 0.000 1.523 1.854) 2.400 29.239 ( 0.000 -6.384 0.395) 6.396 29.239 ( 0.000 6.384 0.395) 6.396 29.768 ( 0.000 -2.607 2.499) 3.611 29.768 ( 0.000 2.607 2.499) 3.611 30.033 ( 0.000 -2.742 2.073) 3.437 30.033 ( 0.000 2.742 2.073) 3.437 30.418 ( 0.000 -7.131 -3.614) 7.994 30.418 ( 0.000 7.131 -3.614) 7.994 30.721 ( 0.000 -8.300 -8.358) 11.779 30.721 ( 0.000 8.300 -8.358) 11.779 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 4.108 -15.716 -0.195) 16.245 2.002 ( 4.108 15.716 -0.195) 16.245 2.120 ( 6.060 -16.559 5.388) 18.438 2.120 ( 6.060 16.559 5.388) 18.438 2.249 ( -5.311 -5.953 0.993) 8.039 2.249 ( -5.311 5.953 0.993) 8.039 2.478 ( -8.399 -9.211 4.123) 13.130 2.478 ( -8.399 9.211 4.123) 13.130 2.895 ( 4.444 -0.720 4.061) 6.063 2.895 ( 4.444 0.720 4.061) 6.063 3.011 ( -1.184 -5.290 4.803) 7.243 3.011 ( -1.184 5.290 4.803) 7.243 3.467 ( 1.829 -3.955 2.980) 5.279 3.467 ( 1.829 3.955 2.980) 5.279 3.603 ( -5.076 -5.286 1.668) 7.516 3.603 ( -5.076 5.286 1.668) 7.516 3.917 ( 6.838 -5.736 -0.475) 8.938 3.917 ( 6.838 5.736 -0.475) 8.938 4.115 ( -2.332 -3.051 -1.859) 4.266 4.115 ( -2.332 3.051 -1.859) 4.266 4.464 ( 2.284 -8.742 -1.623) 9.180 4.464 ( 2.284 8.742 -1.623) 9.180 4.612 ( -4.269 -2.454 -1.755) 5.227 4.612 ( -4.269 2.454 -1.755) 5.227 5.033 ( -0.002 -4.407 2.731) 5.185 5.033 ( -0.002 4.407 2.731) 5.185 5.077 ( -2.148 -0.726 3.688) 4.329 5.077 ( -2.148 0.726 3.688) 4.329 5.516 ( 6.112 -9.173 -1.458) 11.119 5.516 ( 6.112 9.173 -1.458) 11.119 5.627 ( 1.105 -1.775 -2.088) 2.955 5.627 ( 1.105 1.775 -2.088) 2.955 5.766 ( 3.820 -3.878 -2.994) 6.212 5.766 ( 3.820 3.878 -2.994) 6.212 5.960 ( -0.576 -4.278 3.845) 5.781 5.960 ( -0.576 4.278 3.845) 5.781 6.217 ( -1.149 -1.877 1.098) 2.459 6.217 ( -1.149 1.877 1.098) 2.459 6.346 ( -5.739 -2.294 1.767) 6.428 6.346 ( -5.739 2.294 1.767) 6.428 6.649 ( 5.475 -2.595 1.572) 6.260 6.649 ( 5.475 2.595 1.572) 6.260 6.969 ( -9.595 -6.648 -1.392) 11.756 6.969 ( -9.595 6.648 -1.392) 11.756 7.212 ( 3.280 -2.374 1.554) 4.337 7.212 ( 3.280 2.374 1.554) 4.337 7.336 ( 5.971 -3.125 7.676) 10.215 7.336 ( 5.971 3.125 7.676) 10.215 7.481 ( -6.094 -3.138 1.649) 7.050 7.481 ( -6.094 3.138 1.649) 7.050 7.528 ( -3.434 -1.360 3.295) 4.949 7.528 ( -3.434 1.360 3.295) 4.949 8.562 ( 2.887 -3.442 -4.915) 6.659 8.562 ( 2.887 3.442 -4.915) 6.659 8.753 ( -5.773 -8.580 -9.764) 14.223 8.753 ( -5.773 8.580 -9.764) 14.223 9.025 ( 5.984 -7.715 2.880) 10.180 9.025 ( 5.984 7.715 2.880) 10.180 9.245 ( -2.936 -12.391 -2.800) 13.038 9.245 ( -2.936 12.391 -2.800) 13.038 9.460 ( 1.708 -4.354 -4.865) 6.749 9.460 ( 1.708 4.354 -4.865) 6.749 9.571 ( -0.403 -11.640 -2.460) 11.904 9.571 ( -0.403 11.640 -2.460) 11.904 10.585 ( 4.661 -2.660 -2.073) 5.753 10.585 ( 4.661 2.660 -2.073) 5.753 10.784 ( -3.777 -3.048 -7.444) 8.887 10.784 ( -3.777 3.048 -7.444) 8.887 11.563 ( 3.087 -7.431 -4.680) 9.309 11.563 ( 3.087 7.431 -4.680) 9.309 11.885 ( -9.287 -5.863 2.529) 11.271 11.885 ( -9.287 5.863 2.529) 11.271 12.198 ( 10.218 -4.754 -5.060) 12.354 12.198 ( 10.218 4.754 -5.060) 12.354 12.601 ( 7.756 -3.447 -0.670) 8.514 12.601 ( 7.756 3.447 -0.670) 8.514 12.740 ( -5.536 -2.850 -3.240) 7.019 12.740 ( -5.536 2.850 -3.240) 7.019 12.939 ( -4.782 -4.684 0.500) 6.713 12.939 ( -4.782 4.684 0.500) 6.713 13.832 ( 4.476 -4.709 1.719) 6.720 13.832 ( 4.476 4.709 1.719) 6.720 14.078 ( -6.694 -4.545 3.467) 8.803 14.078 ( -6.694 4.545 3.467) 8.803 14.326 ( 3.588 -0.841 3.264) 4.923 14.326 ( 3.588 0.841 3.264) 4.923 14.450 ( -3.281 -1.075 0.611) 3.507 14.450 ( -3.281 1.075 0.611) 3.507 15.069 ( 7.829 -4.201 2.139) 9.139 15.069 ( 7.829 4.201 2.139) 9.139 15.338 ( -1.630 -5.898 -0.120) 6.121 15.338 ( -1.630 5.898 -0.120) 6.121 15.392 ( 2.731 -2.131 -0.750) 3.544 15.392 ( 2.731 2.131 -0.750) 3.544 15.705 ( -6.757 -7.053 3.540) 10.389 15.705 ( -6.757 7.053 3.540) 10.389 17.067 ( 2.515 -14.433 -7.399) 16.413 17.067 ( 2.515 14.433 -7.399) 16.413 17.198 ( -1.598 -5.450 -8.672) 10.366 17.198 ( -1.598 5.450 -8.672) 10.366 18.319 ( 2.646 -2.720 -6.559) 7.578 18.319 ( 2.646 2.720 -6.559) 7.578 18.458 ( -2.929 -3.516 -3.451) 5.732 18.458 ( -2.929 3.516 -3.451) 5.732 24.666 ( 3.815 -0.662 -1.971) 4.345 24.666 ( 3.815 0.662 -1.971) 4.345 24.833 ( -3.319 -2.539 -4.019) 5.798 24.833 ( -3.319 2.539 -4.019) 5.798 26.505 ( 0.820 -1.219 2.972) 3.315 26.505 ( 0.820 1.219 2.972) 3.315 26.544 ( -0.836 -1.603 3.351) 3.808 26.544 ( -0.836 1.603 3.351) 3.808 28.087 ( 2.921 -3.340 6.082) 7.529 28.087 ( 2.921 3.340 6.082) 7.529 28.239 ( -3.612 -1.797 7.384) 8.414 28.239 ( -3.612 1.797 7.384) 8.414 28.542 ( 2.565 -4.034 -0.182) 4.784 28.542 ( 2.565 4.034 -0.182) 4.784 28.687 ( -3.738 -6.382 -0.015) 7.397 28.687 ( -3.738 6.382 -0.015) 7.397 28.979 ( 3.297 -3.922 1.781) 5.424 28.979 ( 3.297 3.922 1.781) 5.424 29.168 ( -6.000 -5.228 1.071) 8.030 29.168 ( -6.000 5.228 1.071) 8.030 29.870 ( 8.657 -0.514 1.169) 8.751 29.870 ( 8.657 0.514 1.169) 8.751 30.039 ( 0.119 -2.424 1.599) 2.906 30.039 ( 0.119 2.424 1.599) 2.906 30.430 ( 1.877 -7.555 -3.654) 8.600 30.430 ( 1.877 7.555 -3.654) 8.600 30.653 ( -6.772 -8.004 -6.989) 12.600 30.653 ( -6.772 8.004 -6.989) 12.600 ======================= Grid point 89 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -6.280 -11.898 0.456) 13.461 2.106 ( 5.641 -11.818 0.456) 13.103 2.106 ( -5.641 11.818 0.456) 13.103 2.106 ( 6.280 11.898 0.456) 13.461 2.299 ( -9.663 -12.397 5.097) 16.524 2.299 ( 8.904 -12.254 5.097) 15.982 2.299 ( -8.904 12.254 5.097) 15.982 2.299 ( 9.663 12.397 5.097) 16.524 2.970 ( -2.846 -3.554 4.369) 6.310 2.970 ( 1.300 -3.321 4.369) 5.640 2.970 ( -1.300 3.321 4.369) 5.640 2.970 ( 2.846 3.554 4.369) 6.310 3.519 ( -3.344 -3.636 2.307) 5.452 3.519 ( 1.372 -3.301 2.307) 4.254 3.519 ( -1.372 3.301 2.307) 4.254 3.519 ( 3.344 3.636 2.307) 5.452 4.040 ( -5.731 -4.881 -1.092) 7.607 4.040 ( 4.986 -4.672 -1.092) 6.920 4.040 ( -4.986 4.672 -1.092) 6.920 4.040 ( 5.731 4.881 -1.092) 7.607 4.527 ( -4.366 -6.230 -1.599) 7.773 4.527 ( 4.363 -6.229 -1.599) 7.771 4.527 ( -4.363 6.229 -1.599) 7.771 4.527 ( 4.366 6.230 -1.599) 7.773 5.045 ( -0.164 -8.148 3.288) 8.788 5.045 ( -0.031 -8.148 3.288) 8.786 5.045 ( 0.031 8.148 3.288) 8.786 5.045 ( 0.164 8.148 3.288) 8.788 5.601 ( -3.154 -4.699 -2.605) 6.230 5.601 ( 2.760 -4.637 -2.605) 5.992 5.601 ( -2.760 4.637 -2.605) 5.992 5.601 ( 3.154 4.699 -2.605) 6.230 5.894 ( -7.040 -1.400 0.333) 7.186 5.894 ( -6.996 1.343 0.333) 7.131 5.894 ( 6.996 -1.343 0.333) 7.131 5.894 ( 7.040 1.400 0.333) 7.186 6.240 ( -3.912 -3.218 1.950) 5.428 6.240 ( 0.988 -2.602 1.950) 3.398 6.240 ( -0.988 2.602 1.950) 3.398 6.240 ( 3.912 3.218 1.950) 5.428 6.787 ( -9.149 -4.922 0.007) 10.389 6.787 ( 1.195 -1.913 0.007) 2.255 6.787 ( -1.195 1.913 0.007) 2.255 6.787 ( 9.149 4.922 0.007) 10.389 7.315 ( -7.217 -2.490 -0.528) 7.652 7.315 ( -7.025 2.348 -0.528) 7.426 7.315 ( 7.025 -2.348 -0.528) 7.426 7.315 ( 7.217 2.490 -0.528) 7.652 7.458 ( -4.049 -2.459 7.641) 8.990 7.458 ( -0.277 -1.403 7.641) 7.774 7.458 ( 0.277 1.403 7.641) 7.774 7.458 ( 4.049 2.459 7.641) 8.990 8.642 ( -5.242 -7.306 -6.596) 11.152 8.642 ( 4.087 -7.119 -6.596) 10.530 8.642 ( -4.087 7.119 -6.596) 10.530 8.642 ( 5.242 7.306 -6.596) 11.152 9.150 ( -6.434 -9.884 0.703) 11.814 9.150 ( 5.674 -9.767 0.703) 11.317 9.150 ( -5.674 9.767 0.703) 11.317 9.150 ( 6.434 9.884 0.703) 11.814 9.524 ( -2.780 -11.361 -4.352) 12.479 9.524 ( 1.834 -11.313 -4.352) 12.259 9.524 ( -1.834 11.313 -4.352) 12.259 9.524 ( 2.780 11.361 -4.352) 12.479 10.690 ( -5.902 -3.759 -4.504) 8.321 10.690 ( 3.399 -2.883 -4.504) 6.336 10.690 ( -3.399 2.883 -4.504) 6.336 10.690 ( 5.902 3.759 -4.504) 8.321 11.684 ( -9.647 -8.212 -1.816) 12.799 11.684 ( 7.975 -7.751 -1.816) 11.269 11.684 ( -7.975 7.751 -1.816) 11.269 11.684 ( 9.647 8.212 -1.816) 12.799 12.465 ( -14.826 -3.001 -6.179) 16.340 12.465 ( -13.878 1.485 -6.179) 15.264 12.465 ( 13.878 -1.485 -6.179) 15.264 12.465 ( 14.826 3.001 -6.179) 16.340 12.823 ( -6.918 -2.830 1.838) 7.697 12.823 ( -4.797 -1.339 1.838) 5.309 12.823 ( 4.797 1.339 1.838) 5.309 12.823 ( 6.918 2.830 1.838) 7.697 13.943 ( -6.847 -6.814 1.971) 9.859 13.943 ( 4.179 -6.251 1.971) 7.774 13.943 ( -4.179 6.251 1.971) 7.774 13.943 ( 6.847 6.814 1.971) 9.859 14.389 ( -2.229 -3.849 2.383) 5.045 14.389 ( 0.151 -3.684 2.383) 4.390 14.389 ( -0.151 3.684 2.383) 4.390 14.389 ( 2.229 3.849 2.383) 5.045 15.224 ( -7.634 -6.907 0.971) 10.341 15.224 ( 4.162 -6.121 0.971) 7.466 15.224 ( -4.162 6.121 0.971) 7.466 15.224 ( 7.634 6.907 0.971) 10.341 15.539 ( -9.514 -8.330 1.718) 12.762 15.539 ( 5.020 -7.284 1.718) 9.012 15.539 ( -5.020 7.284 1.718) 9.012 15.539 ( 9.514 8.330 1.718) 12.762 17.138 ( -4.065 -11.997 -8.876) 15.467 17.138 ( 3.686 -11.966 -8.876) 15.348 17.138 ( -3.686 11.966 -8.876) 15.348 17.138 ( 4.065 11.997 -8.876) 15.467 18.387 ( -4.210 -3.498 -4.364) 7.000 18.387 ( 2.943 -3.158 -4.364) 6.138 18.387 ( -2.943 3.158 -4.364) 6.138 18.387 ( 4.210 3.498 -4.364) 7.000 24.752 ( -3.667 -3.386 -3.150) 5.902 24.752 ( -1.618 -2.959 -3.150) 4.615 24.752 ( 1.618 2.959 -3.150) 4.615 24.752 ( 3.667 3.386 -3.150) 5.902 26.524 ( -0.966 -2.101 3.197) 3.946 26.524 ( 0.640 -2.070 3.197) 3.862 26.524 ( -0.640 2.070 3.197) 3.862 26.524 ( 0.966 2.101 3.197) 3.946 28.159 ( -4.516 -2.616 6.768) 8.546 28.159 ( 3.729 -2.284 6.768) 8.058 28.159 ( -3.729 2.284 6.768) 8.058 28.159 ( 4.516 2.616 6.768) 8.546 28.607 ( -4.282 -5.272 -0.078) 6.792 28.607 ( 4.148 -5.245 -0.078) 6.687 28.607 ( -4.148 5.245 -0.078) 6.687 28.607 ( 4.282 5.272 -0.078) 6.792 29.060 ( -5.102 -5.742 1.585) 7.843 29.060 ( 3.933 -5.507 1.585) 6.950 29.060 ( -3.933 5.507 1.585) 6.950 29.060 ( 5.102 5.742 1.585) 7.843 30.005 ( -3.990 -2.607 0.472) 4.790 30.005 ( -1.407 -1.819 0.472) 2.348 30.005 ( 1.407 1.819 0.472) 2.348 30.005 ( 3.990 2.607 0.472) 4.790 30.512 ( -6.931 -8.212 -4.504) 11.652 30.512 ( 6.180 -8.061 -4.504) 11.111 30.512 ( -6.180 8.061 -4.504) 11.111 30.512 ( 6.931 8.212 -4.504) 11.652 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 0.000 26.011) 26.011 2.085 ( 0.000 0.000 15.814) 15.814 2.128 ( 0.000 0.000 -15.227) 15.227 2.287 ( 0.000 0.000 -0.262) 0.262 2.388 ( 0.000 0.000 -0.057) 0.057 2.433 ( 0.000 0.000 7.799) 7.799 2.617 ( 0.000 0.000 4.634) 4.634 2.624 ( 0.000 0.000 -7.967) 7.967 2.766 ( 0.000 0.000 0.431) 0.431 2.971 ( 0.000 0.000 3.150) 3.150 3.052 ( 0.000 0.000 24.459) 24.459 3.143 ( 0.000 0.000 -2.626) 2.626 3.286 ( 0.000 0.000 -4.760) 4.760 3.475 ( 0.000 0.000 -5.296) 5.296 3.596 ( 0.000 0.000 17.866) 17.866 3.652 ( 0.000 0.000 2.742) 2.742 3.654 ( 0.000 0.000 -3.043) 3.043 4.038 ( 0.000 0.000 -5.225) 5.225 4.046 ( 0.000 0.000 -5.809) 5.809 4.154 ( 0.000 0.000 -6.701) 6.701 4.213 ( 0.000 0.000 -5.228) 5.228 4.234 ( 0.000 0.000 -0.021) 0.021 4.321 ( 0.000 0.000 -0.346) 0.346 4.588 ( 0.000 0.000 -15.234) 15.234 4.660 ( 0.000 0.000 3.312) 3.312 4.813 ( 0.000 0.000 -3.091) 3.091 5.148 ( 0.000 0.000 6.639) 6.639 5.388 ( 0.000 0.000 -0.626) 0.626 5.456 ( 0.000 0.000 -2.385) 2.385 5.543 ( 0.000 0.000 -1.269) 1.269 5.557 ( 0.000 0.000 -1.447) 1.447 5.589 ( 0.000 0.000 -4.804) 4.804 5.612 ( 0.000 0.000 2.774) 2.774 5.878 ( 0.000 0.000 0.505) 0.505 5.934 ( 0.000 0.000 0.354) 0.354 5.987 ( 0.000 0.000 -3.878) 3.878 6.153 ( 0.000 0.000 -3.637) 3.637 6.155 ( 0.000 0.000 6.299) 6.299 6.336 ( 0.000 0.000 -3.762) 3.762 6.680 ( 0.000 0.000 0.517) 0.517 6.773 ( 0.000 0.000 -1.926) 1.926 6.816 ( 0.000 0.000 4.756) 4.756 6.911 ( 0.000 0.000 2.761) 2.761 6.969 ( 0.000 0.000 2.326) 2.326 7.105 ( 0.000 0.000 5.209) 5.209 7.369 ( 0.000 0.000 0.659) 0.659 7.390 ( 0.000 0.000 6.353) 6.353 7.440 ( 0.000 0.000 -2.171) 2.171 7.552 ( 0.000 0.000 10.812) 10.812 7.810 ( 0.000 0.000 4.878) 4.878 7.925 ( 0.000 0.000 0.048) 0.048 7.930 ( 0.000 0.000 1.122) 1.122 8.049 ( 0.000 0.000 5.316) 5.316 8.111 ( 0.000 0.000 -8.300) 8.300 8.309 ( 0.000 0.000 -1.192) 1.192 8.537 ( 0.000 0.000 6.887) 6.887 8.667 ( 0.000 0.000 3.759) 3.759 9.162 ( 0.000 0.000 6.113) 6.113 9.224 ( 0.000 0.000 -1.804) 1.804 9.238 ( 0.000 0.000 -6.755) 6.755 9.247 ( 0.000 0.000 -4.260) 4.260 9.315 ( 0.000 0.000 -13.819) 13.819 9.620 ( 0.000 0.000 -4.776) 4.776 9.967 ( 0.000 0.000 -21.232) 21.232 10.397 ( 0.000 0.000 -2.403) 2.403 10.643 ( 0.000 0.000 -5.287) 5.287 10.746 ( 0.000 0.000 -3.536) 3.536 10.827 ( 0.000 0.000 -1.480) 1.480 11.819 ( 0.000 0.000 -5.248) 5.248 11.832 ( 0.000 0.000 -4.943) 4.943 11.994 ( 0.000 0.000 13.119) 13.119 12.138 ( 0.000 0.000 0.609) 0.609 12.138 ( 0.000 0.000 -1.332) 1.332 12.195 ( 0.000 0.000 -1.218) 1.218 12.216 ( 0.000 0.000 0.842) 0.842 12.256 ( 0.000 0.000 3.591) 3.591 12.310 ( 0.000 0.000 -0.391) 0.391 12.780 ( 0.000 0.000 -6.930) 6.930 12.948 ( 0.000 0.000 -1.363) 1.363 13.046 ( 0.000 0.000 -2.154) 2.154 13.876 ( 0.000 0.000 -5.796) 5.796 13.927 ( 0.000 0.000 -5.785) 5.785 14.200 ( 0.000 0.000 3.832) 3.832 14.269 ( 0.000 0.000 8.069) 8.069 14.413 ( 0.000 0.000 -3.652) 3.652 14.422 ( 0.000 0.000 3.955) 3.955 14.600 ( 0.000 0.000 4.772) 4.772 14.690 ( 0.000 0.000 2.773) 2.773 14.701 ( 0.000 0.000 3.568) 3.568 14.877 ( 0.000 0.000 13.792) 13.792 15.160 ( 0.000 0.000 0.512) 0.512 15.403 ( 0.000 0.000 2.368) 2.368 15.491 ( 0.000 0.000 4.207) 4.207 15.551 ( 0.000 0.000 4.260) 4.260 15.651 ( 0.000 0.000 -8.084) 8.084 15.760 ( 0.000 0.000 -7.006) 7.006 16.101 ( 0.000 0.000 -11.388) 11.388 16.456 ( 0.000 0.000 -13.377) 13.377 17.296 ( 0.000 0.000 3.860) 3.860 17.737 ( 0.000 0.000 -2.524) 2.524 18.140 ( 0.000 0.000 -2.143) 2.143 18.149 ( 0.000 0.000 -9.516) 9.516 18.395 ( 0.000 0.000 -3.848) 3.848 18.431 ( 0.000 0.000 -7.897) 7.897 24.517 ( 0.000 0.000 0.094) 0.094 24.634 ( 0.000 0.000 -1.338) 1.338 24.829 ( 0.000 0.000 -3.819) 3.819 24.971 ( 0.000 0.000 -10.758) 10.758 26.506 ( 0.000 0.000 2.733) 2.733 26.558 ( 0.000 0.000 2.042) 2.042 26.624 ( 0.000 0.000 2.248) 2.248 26.761 ( 0.000 0.000 0.041) 0.041 28.029 ( 0.000 0.000 6.152) 6.152 28.271 ( 0.000 0.000 5.054) 5.054 28.288 ( 0.000 0.000 1.299) 1.299 28.301 ( 0.000 0.000 7.296) 7.296 28.396 ( 0.000 0.000 2.940) 2.940 28.445 ( 0.000 0.000 1.908) 1.908 28.504 ( 0.000 0.000 3.300) 3.300 28.564 ( 0.000 0.000 1.378) 1.378 28.596 ( 0.000 0.000 -1.511) 1.511 29.200 ( 0.000 0.000 -11.284) 11.284 29.213 ( 0.000 0.000 5.038) 5.038 29.296 ( 0.000 0.000 4.423) 4.423 29.600 ( 0.000 0.000 -4.861) 4.861 29.971 ( 0.000 0.000 -0.495) 0.495 29.996 ( 0.000 0.000 0.398) 0.398 30.172 ( 0.000 0.000 -17.133) 17.133 30.301 ( 0.000 0.000 6.293) 6.293 30.477 ( 0.000 0.000 14.537) 14.537 30.681 ( 0.000 0.000 -1.315) 1.315 31.305 ( 0.000 0.000 -6.712) 6.712 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.378 0.000 24.089) 24.092 2.098 ( 1.454 0.000 8.669) 8.790 2.136 ( 0.493 0.000 -11.019) 11.030 2.183 ( -15.377 0.000 10.433) 18.582 2.274 ( -1.119 0.000 0.102) 1.124 2.333 ( -4.523 0.000 2.808) 5.324 2.672 ( 3.931 0.000 -7.132) 8.144 2.759 ( -0.710 0.000 -0.521) 0.880 2.885 ( 17.783 0.000 6.719) 19.010 2.973 ( 0.526 0.000 2.367) 2.425 3.080 ( -4.870 0.000 -1.504) 5.097 3.196 ( 13.389 0.000 17.446) 21.992 3.325 ( 2.990 0.000 -4.311) 5.246 3.436 ( -2.934 0.000 -4.014) 4.972 3.472 ( -9.296 0.000 14.548) 17.264 3.724 ( 3.939 0.000 0.356) 3.955 3.751 ( 8.345 0.000 -0.032) 8.345 3.912 ( -15.656 0.000 7.869) 17.522 3.976 ( -7.044 0.000 -4.036) 8.119 4.004 ( -3.735 0.000 -4.607) 5.931 4.241 ( 2.218 0.000 -6.950) 7.295 4.302 ( -1.041 0.000 0.589) 1.196 4.411 ( 9.054 0.000 -11.493) 14.631 4.588 ( -0.599 0.000 -15.754) 15.766 4.683 ( 2.336 0.000 2.811) 3.655 4.791 ( -2.266 0.000 -1.411) 2.670 5.183 ( 3.456 0.000 4.931) 6.021 5.345 ( -3.948 0.000 0.116) 3.950 5.471 ( 1.536 0.000 -2.099) 2.601 5.540 ( -1.546 0.000 -0.918) 1.798 5.556 ( 1.205 0.000 -1.709) 2.091 5.594 ( 0.092 0.000 -3.749) 3.750 5.674 ( 5.903 0.000 0.593) 5.932 5.879 ( 0.285 0.000 0.442) 0.526 5.921 ( -1.285 0.000 0.304) 1.321 5.929 ( -5.368 0.000 -4.239) 6.840 6.120 ( 0.603 0.000 0.607) 0.856 6.247 ( 1.464 0.000 6.153) 6.325 6.338 ( 4.065 0.000 -4.096) 5.771 6.688 ( -8.085 0.000 -0.224) 8.088 6.704 ( 1.688 0.000 0.336) 1.721 6.788 ( -2.375 0.000 3.855) 4.528 6.957 ( 4.250 0.000 2.598) 4.981 6.992 ( 2.173 0.000 2.584) 3.376 7.121 ( 2.476 0.000 4.204) 4.879 7.327 ( -6.067 0.000 4.459) 7.529 7.333 ( -3.020 0.000 0.397) 3.046 7.393 ( -4.608 0.000 -1.997) 5.023 7.624 ( 7.274 0.000 9.204) 11.731 7.817 ( -0.177 0.000 5.759) 5.761 7.920 ( 0.931 0.000 1.775) 2.005 7.948 ( 1.852 0.000 1.044) 2.126 8.033 ( -1.692 0.000 3.607) 3.983 8.112 ( -3.000 0.000 -6.190) 6.879 8.336 ( 2.787 0.000 0.357) 2.810 8.483 ( -4.239 0.000 5.063) 6.603 8.744 ( 6.595 0.000 4.164) 7.799 9.063 ( -10.549 0.000 -2.087) 10.754 9.120 ( -1.235 0.000 -3.153) 3.387 9.261 ( -1.544 0.000 -5.098) 5.326 9.268 ( 7.556 0.000 2.469) 7.949 9.526 ( 13.155 0.000 -15.913) 20.647 9.581 ( -4.947 0.000 -3.115) 5.846 9.913 ( -5.843 0.000 -21.157) 21.949 10.398 ( 1.107 0.000 -1.782) 2.098 10.593 ( -6.159 0.000 -6.865) 9.223 10.739 ( 2.362 0.000 0.259) 2.376 10.844 ( -0.515 0.000 -2.521) 2.573 11.684 ( -3.377 0.000 0.866) 3.486 11.878 ( -9.580 0.000 10.023) 13.865 12.018 ( -5.244 0.000 1.218) 5.383 12.030 ( 11.337 0.000 -7.417) 13.548 12.048 ( -5.964 0.000 4.642) 7.557 12.301 ( 6.060 0.000 -4.989) 7.849 12.303 ( 2.388 0.000 -0.319) 2.410 12.321 ( 5.273 0.000 -1.888) 5.601 12.469 ( 12.517 0.000 -0.442) 12.525 12.715 ( -4.179 0.000 -5.634) 7.014 12.934 ( -2.016 0.000 -0.228) 2.029 13.026 ( -3.010 0.000 -1.725) 3.469 13.872 ( -0.001 0.000 -4.807) 4.807 13.918 ( -1.181 0.000 -4.746) 4.891 14.213 ( 2.638 0.000 2.351) 3.533 14.274 ( 0.793 0.000 6.793) 6.839 14.371 ( -4.024 0.000 3.314) 5.213 14.391 ( -3.012 0.000 -3.487) 4.608 14.631 ( 2.757 0.000 3.439) 4.408 14.701 ( 0.367 0.000 2.154) 2.185 14.757 ( 4.416 0.000 5.601) 7.132 14.866 ( -1.229 0.000 12.443) 12.503 15.208 ( 5.587 0.000 0.780) 5.642 15.482 ( 4.110 0.000 1.204) 4.283 15.502 ( 1.094 0.000 4.181) 4.322 15.544 ( -0.727 0.000 4.198) 4.261 15.591 ( -1.953 0.000 -7.468) 7.719 15.842 ( 8.655 0.000 -7.342) 11.349 16.006 ( -9.830 0.000 -11.716) 15.294 16.322 ( -12.662 0.000 -11.087) 16.830 17.394 ( 8.856 0.000 1.586) 8.997 17.692 ( -4.853 0.000 -2.157) 5.311 18.169 ( 3.013 0.000 -2.766) 4.090 18.209 ( 5.458 0.000 -9.156) 10.659 18.343 ( -3.957 0.000 -4.340) 5.874 18.423 ( -2.098 0.000 -6.871) 7.184 24.560 ( 4.033 0.000 -1.015) 4.159 24.639 ( 0.302 0.000 -1.390) 1.422 24.831 ( 0.512 0.000 -4.785) 4.812 24.937 ( -3.468 0.000 -10.160) 10.735 26.507 ( 0.184 0.000 2.802) 2.808 26.538 ( -1.430 0.000 2.644) 3.006 26.655 ( 2.619 0.000 1.500) 3.018 26.746 ( -1.608 0.000 0.213) 1.622 28.073 ( 4.577 0.000 5.925) 7.487 28.268 ( -0.146 0.000 5.241) 5.243 28.271 ( -2.615 0.000 2.324) 3.498 28.288 ( -1.106 0.000 6.709) 6.800 28.407 ( 1.076 0.000 2.959) 3.149 28.431 ( -0.414 0.000 2.107) 2.148 28.467 ( -2.293 0.000 2.789) 3.611 28.527 ( -3.521 0.000 1.576) 3.857 28.689 ( 8.033 0.000 -1.359) 8.147 29.069 ( -10.863 0.000 -7.122) 12.989 29.233 ( 1.924 0.000 4.855) 5.222 29.291 ( -0.574 0.000 4.225) 4.264 29.738 ( 11.527 0.000 -9.205) 14.751 29.979 ( 0.820 0.000 -0.595) 1.013 30.001 ( 0.256 0.000 -0.152) 0.298 30.113 ( -6.227 0.000 -16.209) 17.364 30.301 ( 0.264 0.000 6.613) 6.618 30.397 ( -5.464 0.000 9.890) 11.299 30.810 ( 10.733 0.000 2.302) 10.977 31.221 ( -8.495 0.000 -3.787) 9.301 ======================= Grid point 107 (39/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -8.113 0.000 17.786) 19.549 1.959 ( 8.113 0.000 17.786) 19.549 2.130 ( -1.408 0.000 -3.500) 3.773 2.130 ( 1.408 0.000 -3.500) 3.773 2.269 ( -1.446 0.000 3.853) 4.115 2.269 ( 1.446 0.000 3.853) 4.115 2.734 ( -2.321 0.000 -3.759) 4.417 2.734 ( 2.321 0.000 -3.759) 4.417 3.003 ( -2.993 0.000 0.410) 3.021 3.003 ( 2.993 0.000 0.410) 3.021 3.193 ( -14.540 0.000 7.020) 16.146 3.193 ( 14.540 0.000 7.020) 16.146 3.381 ( -3.003 0.000 -3.726) 4.786 3.381 ( 3.003 0.000 -3.726) 4.786 3.557 ( -17.948 0.000 14.501) 23.074 3.557 ( 17.948 0.000 14.501) 23.074 3.847 ( -6.201 0.000 1.780) 6.452 3.847 ( 6.201 0.000 1.780) 6.452 3.902 ( -7.201 0.000 -2.832) 7.738 3.902 ( 7.201 0.000 -2.832) 7.738 4.277 ( -1.613 0.000 -4.361) 4.650 4.277 ( 1.613 0.000 -4.361) 4.650 4.541 ( -4.821 0.000 -15.143) 15.892 4.541 ( 4.821 0.000 -15.143) 15.892 4.738 ( -3.234 0.000 1.204) 3.451 4.738 ( 3.234 0.000 1.204) 3.451 5.262 ( -4.745 0.000 2.114) 5.194 5.262 ( 4.745 0.000 2.114) 5.194 5.506 ( -2.012 0.000 -1.121) 2.303 5.506 ( 2.012 0.000 -1.121) 2.303 5.582 ( -1.319 0.000 -2.379) 2.720 5.582 ( 1.319 0.000 -2.379) 2.720 5.804 ( -7.607 0.000 -3.384) 8.325 5.804 ( 7.607 0.000 -3.384) 8.326 5.894 ( -1.350 0.000 0.287) 1.380 5.894 ( 1.350 0.000 0.287) 1.380 6.182 ( -5.216 0.000 4.201) 6.698 6.182 ( 5.216 0.000 4.201) 6.698 6.503 ( -10.839 0.000 -1.257) 10.911 6.503 ( 10.839 0.000 -1.257) 10.911 6.743 ( -2.512 0.000 3.019) 3.927 6.743 ( 2.512 0.000 3.019) 3.927 7.017 ( -0.801 0.000 2.856) 2.966 7.017 ( 0.801 0.000 2.856) 2.966 7.205 ( -6.233 0.000 2.780) 6.825 7.205 ( 6.233 0.000 2.780) 6.825 7.313 ( -2.210 0.000 -1.083) 2.461 7.313 ( 2.210 0.000 -1.083) 2.461 7.767 ( -6.035 0.000 7.146) 9.353 7.767 ( 6.035 0.000 7.146) 9.353 7.991 ( -7.045 0.000 0.135) 7.046 7.991 ( 7.045 0.000 0.135) 7.046 7.992 ( -2.561 0.000 1.543) 2.990 7.992 ( 2.561 0.000 1.543) 2.990 8.403 ( -4.175 0.000 2.864) 5.063 8.403 ( 4.175 0.000 2.864) 5.063 8.886 ( -8.660 0.000 2.197) 8.934 8.886 ( 8.660 0.000 2.197) 8.934 9.181 ( -5.851 0.000 -6.482) 8.732 9.181 ( 5.851 0.000 -6.482) 8.732 9.439 ( -9.578 0.000 0.822) 9.613 9.439 ( 9.578 0.000 0.822) 9.613 9.755 ( -11.000 0.000 -19.797) 22.648 9.755 ( 11.000 0.000 -19.797) 22.648 10.466 ( -6.171 0.000 -3.747) 7.220 10.466 ( 6.171 0.000 -3.747) 7.220 10.803 ( -3.446 0.000 -1.226) 3.658 10.803 ( 3.446 0.000 -1.226) 3.658 11.716 ( -6.388 0.000 6.254) 8.940 11.716 ( 6.388 0.000 6.254) 8.940 11.978 ( -1.047 0.000 4.233) 4.360 11.978 ( 1.047 0.000 4.233) 4.360 12.234 ( -9.489 0.000 -5.974) 11.213 12.234 ( 9.489 0.000 -5.974) 11.213 12.367 ( -0.629 0.000 -4.715) 4.756 12.367 ( 0.629 0.000 -4.715) 4.756 12.653 ( -5.988 0.000 -3.282) 6.828 12.653 ( 5.988 0.000 -3.282) 6.828 12.938 ( -4.411 0.000 0.831) 4.488 12.938 ( 4.411 0.000 0.831) 4.488 13.888 ( -1.643 0.000 -3.675) 4.025 13.888 ( 1.643 0.000 -3.675) 4.025 14.302 ( -5.947 0.000 -1.485) 6.130 14.302 ( 5.947 0.000 -1.485) 6.130 14.306 ( -2.713 0.000 4.192) 4.993 14.306 ( 2.713 0.000 4.192) 4.993 14.682 ( -2.313 0.000 2.074) 3.107 14.682 ( 2.313 0.000 2.074) 3.107 14.828 ( -2.991 0.000 9.197) 9.672 14.828 ( 2.991 0.000 9.197) 9.672 15.361 ( -10.024 0.000 0.065) 10.024 15.361 ( 10.024 0.000 0.065) 10.024 15.525 ( -1.283 0.000 4.145) 4.339 15.525 ( 1.283 0.000 4.145) 4.339 15.772 ( -14.130 0.000 -9.102) 16.808 15.772 ( 14.130 0.000 -9.102) 16.808 16.060 ( -14.166 0.000 -8.567) 16.555 16.060 ( 14.166 0.000 -8.567) 16.555 17.565 ( -8.628 0.000 -0.911) 8.676 17.565 ( 8.628 0.000 -0.911) 8.676 18.238 ( -3.789 0.000 -5.150) 6.394 18.238 ( 3.789 0.000 -5.150) 6.394 18.348 ( -5.313 0.000 -6.318) 8.255 18.348 ( 5.313 0.000 -6.318) 8.255 24.626 ( -2.198 0.000 -1.632) 2.737 24.626 ( 2.198 0.000 -1.632) 2.737 24.865 ( -3.417 0.000 -7.794) 8.510 24.865 ( 3.417 0.000 -7.794) 8.510 26.516 ( -0.852 0.000 2.916) 3.038 26.516 ( 0.852 0.000 2.916) 3.038 26.706 ( -2.635 0.000 0.711) 2.730 26.706 ( 2.635 0.000 0.711) 2.730 28.181 ( -6.379 0.000 4.741) 7.948 28.181 ( 6.379 0.000 4.741) 7.948 28.271 ( -0.558 0.000 5.813) 5.839 28.271 ( 0.558 0.000 5.813) 5.839 28.432 ( -1.600 0.000 2.929) 3.337 28.432 ( 1.600 0.000 2.929) 3.337 28.459 ( -3.173 0.000 1.803) 3.649 28.459 ( 3.173 0.000 1.803) 3.649 28.864 ( -10.672 0.000 -3.306) 11.172 28.864 ( 10.672 0.000 -3.306) 11.172 29.270 ( -1.767 0.000 4.368) 4.712 29.270 ( 1.767 0.000 4.368) 4.712 29.952 ( -10.749 0.000 -13.532) 17.282 29.952 ( 10.749 0.000 -13.532) 17.282 29.996 ( -0.769 0.000 -0.728) 1.059 29.996 ( 0.769 0.000 -0.728) 1.059 30.322 ( -2.399 0.000 7.635) 8.003 30.322 ( 2.399 0.000 7.635) 8.003 31.025 ( -11.883 0.000 0.969) 11.922 31.025 ( 11.883 0.000 0.969) 11.922 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 2.252 22.551) 22.663 1.967 ( 0.000 -7.772 19.272) 20.781 2.112 ( 0.000 -0.252 -9.235) 9.239 2.339 ( 0.000 3.255 4.407) 5.479 2.403 ( 0.000 -0.281 -0.647) 0.705 2.553 ( 0.000 9.909 3.420) 10.483 2.601 ( 0.000 -0.311 -6.370) 6.378 2.635 ( 0.000 0.932 -4.786) 4.876 2.750 ( 0.000 -1.501 3.470) 3.780 2.886 ( 0.000 -6.927 5.105) 8.605 3.092 ( 0.000 -3.714 -2.442) 4.445 3.260 ( 0.000 14.344 22.708) 26.859 3.306 ( 0.000 1.829 -4.630) 4.978 3.439 ( 0.000 -3.142 -6.869) 7.554 3.561 ( 0.000 -2.624 16.813) 17.017 3.634 ( 0.000 1.191 -1.756) 2.122 3.749 ( 0.000 5.666 1.238) 5.800 3.948 ( 0.000 -4.231 -6.643) 7.876 4.034 ( 0.000 -2.727 2.855) 3.948 4.142 ( 0.000 -1.588 -14.124) 14.213 4.215 ( 0.000 0.287 3.320) 3.333 4.348 ( 0.000 8.821 -6.853) 11.170 4.357 ( 0.000 3.837 -4.827) 6.166 4.612 ( 0.000 1.109 -11.791) 11.843 4.732 ( 0.000 6.566 3.175) 7.293 4.883 ( 0.000 6.516 -2.053) 6.831 5.157 ( 0.000 0.799 6.456) 6.505 5.333 ( 0.000 -6.070 0.556) 6.096 5.421 ( 0.000 3.175 -2.070) 3.790 5.434 ( 0.000 -6.680 0.267) 6.685 5.597 ( 0.000 0.614 -1.898) 1.995 5.614 ( 0.000 0.109 2.876) 2.878 5.743 ( 0.000 8.509 -5.941) 10.377 5.819 ( 0.000 -7.296 -1.136) 7.384 5.835 ( 0.000 -2.588 2.002) 3.272 6.050 ( 0.000 2.537 -3.423) 4.261 6.163 ( 0.000 0.769 -3.307) 3.395 6.221 ( 0.000 4.152 3.217) 5.253 6.338 ( 0.000 0.389 -1.644) 1.689 6.660 ( 0.000 -2.225 2.936) 3.684 6.777 ( 0.000 -0.095 -1.278) 1.282 6.791 ( 0.000 -2.762 4.226) 5.048 6.871 ( 0.000 -3.139 -0.051) 3.140 6.946 ( 0.000 -1.634 1.063) 1.949 7.131 ( 0.000 3.299 6.026) 6.870 7.365 ( 0.000 -0.560 2.020) 2.096 7.367 ( 0.000 -0.912 4.384) 4.478 7.469 ( 0.000 2.033 -1.828) 2.734 7.528 ( 0.000 -2.123 9.647) 9.878 7.709 ( 0.000 -6.009 6.709) 9.007 7.856 ( 0.000 -4.660 2.674) 5.373 7.946 ( 0.000 -4.371 4.715) 6.429 8.123 ( 0.000 6.838 -7.955) 10.491 8.200 ( 0.000 8.683 -4.541) 9.799 8.439 ( 0.000 12.281 2.506) 12.535 8.555 ( 0.000 0.945 5.385) 5.467 8.746 ( 0.000 7.026 3.474) 7.838 9.106 ( 0.000 -5.671 0.208) 5.675 9.192 ( 0.000 -2.806 -2.013) 3.453 9.232 ( 0.000 1.943 -3.889) 4.347 9.290 ( 0.000 1.973 -1.622) 2.554 9.312 ( 0.000 -0.660 -11.617) 11.636 9.578 ( 0.000 -3.835 -3.834) 5.423 9.903 ( 0.000 -5.922 -19.862) 20.726 10.428 ( 0.000 2.706 -2.622) 3.768 10.619 ( 0.000 -2.067 -3.910) 4.423 10.735 ( 0.000 -1.067 -4.169) 4.303 10.772 ( 0.000 -4.589 -0.685) 4.640 11.629 ( 0.000 -11.941 -3.557) 12.460 11.715 ( 0.000 -8.541 -6.577) 10.780 11.983 ( 0.000 -0.345 8.751) 8.758 12.083 ( 0.000 -5.357 2.005) 5.719 12.104 ( 0.000 -4.307 2.093) 4.789 12.236 ( 0.000 6.426 -0.079) 6.426 12.263 ( 0.000 6.449 1.853) 6.710 12.465 ( 0.000 7.666 -0.466) 7.681 12.479 ( 0.000 13.906 -1.762) 14.018 12.741 ( 0.000 -3.525 -9.506) 10.138 12.910 ( 0.000 -2.790 -1.918) 3.386 12.922 ( 0.000 -7.866 -1.627) 8.032 13.912 ( 0.000 1.178 -2.704) 2.950 13.943 ( 0.000 0.111 -3.419) 3.421 14.219 ( 0.000 2.447 3.473) 4.249 14.225 ( 0.000 -2.453 8.214) 8.573 14.407 ( 0.000 -1.556 5.214) 5.441 14.418 ( 0.000 -0.260 -2.983) 2.994 14.536 ( 0.000 -3.704 4.112) 5.534 14.614 ( 0.000 -5.998 2.405) 6.462 14.770 ( 0.000 6.254 2.508) 6.738 14.942 ( 0.000 5.661 11.301) 12.640 15.157 ( 0.000 0.246 1.384) 1.406 15.340 ( 0.000 -4.234 2.600) 4.968 15.458 ( 0.000 -1.540 -2.742) 3.145 15.603 ( 0.000 4.865 -0.004) 4.865 15.681 ( 0.000 -1.938 -1.692) 2.573 15.995 ( 0.000 -6.015 -4.476) 7.498 16.042 ( 0.000 21.603 -6.833) 22.658 16.587 ( 0.000 10.036 -16.954) 19.701 17.267 ( 0.000 -2.804 2.371) 3.672 17.602 ( 0.000 -11.472 -2.410) 11.723 18.149 ( 0.000 -0.042 -8.960) 8.960 18.180 ( 0.000 2.125 -2.757) 3.481 18.372 ( 0.000 -1.480 -3.622) 3.913 18.427 ( 0.000 -0.348 -7.637) 7.645 24.530 ( 0.000 1.229 -0.174) 1.241 24.628 ( 0.000 -0.452 -1.313) 1.389 24.812 ( 0.000 -1.503 -3.652) 3.949 24.929 ( 0.000 -3.745 -9.164) 9.900 26.507 ( 0.000 0.141 2.288) 2.293 26.559 ( 0.000 0.120 1.915) 1.919 26.614 ( 0.000 -0.750 2.548) 2.656 26.723 ( 0.000 -3.301 0.562) 3.349 28.049 ( 0.000 1.913 6.017) 6.313 28.272 ( 0.000 -1.336 2.083) 2.475 28.319 ( 0.000 3.602 4.709) 5.928 28.347 ( 0.000 3.360 6.315) 7.154 28.400 ( 0.000 0.681 3.871) 3.931 28.431 ( 0.000 3.174 2.274) 3.905 28.554 ( 0.000 -0.502 -1.505) 1.587 28.654 ( 0.000 10.241 1.474) 10.347 28.675 ( 0.000 6.109 1.134) 6.213 29.126 ( 0.000 -5.454 -6.255) 8.298 29.209 ( 0.000 -0.377 4.522) 4.538 29.331 ( 0.000 1.652 0.491) 1.723 29.624 ( 0.000 2.398 -3.692) 4.403 29.973 ( 0.000 -0.253 0.335) 0.420 30.002 ( 0.000 0.566 0.478) 0.740 30.169 ( 0.000 0.191 -12.899) 12.901 30.300 ( 0.000 -0.641 3.160) 3.224 30.415 ( 0.000 -4.736 10.952) 11.932 30.627 ( 0.000 -4.937 -1.804) 5.256 31.164 ( 0.000 -12.593 -5.648) 13.802 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -1.140 -1.998 18.285) 18.429 2.049 ( -6.642 -2.301 -2.900) 7.604 2.094 ( 7.758 0.658 18.000) 19.612 2.327 ( -5.401 4.920 -0.257) 7.311 2.346 ( -1.332 4.013 8.068) 9.109 2.398 ( -3.991 7.363 -3.294) 9.000 2.655 ( 2.686 0.619 -8.682) 9.109 2.731 ( -1.407 -2.520 2.610) 3.892 2.824 ( 6.427 -6.686 1.838) 9.454 2.920 ( 4.587 -4.255 5.048) 8.039 3.035 ( -1.354 -2.543 -2.259) 3.661 3.317 ( 2.472 2.194 2.466) 4.124 3.354 ( 5.479 8.220 12.245) 15.733 3.402 ( -3.603 -2.566 -5.029) 6.697 3.479 ( -3.832 0.538 11.052) 11.710 3.744 ( 7.587 0.579 1.069) 7.684 3.793 ( 2.893 4.907 0.429) 5.712 3.898 ( -9.799 0.241 4.571) 10.815 3.941 ( -1.262 -2.635 -5.045) 5.830 4.077 ( -7.407 5.013 -4.028) 9.809 4.224 ( 2.797 -1.440 -4.960) 5.874 4.330 ( -2.199 3.010 -1.536) 4.031 4.448 ( 6.451 3.231 -10.817) 13.003 4.597 ( -1.690 0.403 -12.569) 12.689 4.751 ( 1.910 6.197 2.906) 7.106 4.852 ( -2.788 5.601 -0.100) 6.257 5.201 ( 4.121 1.109 2.913) 5.167 5.360 ( 1.989 -4.482 1.709) 5.193 5.367 ( -2.957 -1.337 -1.362) 3.520 5.461 ( -0.434 -0.891 0.100) 0.996 5.602 ( 1.453 0.791 -1.634) 2.326 5.666 ( 5.220 -0.661 0.616) 5.298 5.722 ( -1.935 5.517 -4.667) 7.480 5.833 ( 1.083 -2.872 -1.562) 3.444 5.853 ( 1.633 -2.302 0.575) 2.880 5.994 ( -5.728 2.044 -4.050) 7.307 6.146 ( 0.099 1.925 0.112) 1.931 6.269 ( 0.011 1.917 5.761) 6.072 6.329 ( 2.929 -0.955 -3.119) 4.384 6.653 ( -6.235 -3.627 4.352) 8.424 6.708 ( -0.392 0.507 -2.710) 2.785 6.782 ( -2.311 -0.343 3.195) 3.958 6.896 ( 3.081 -5.643 1.832) 6.685 6.956 ( 0.774 -2.885 2.129) 3.668 7.143 ( 2.221 2.709 5.009) 6.113 7.310 ( -3.681 -0.441 2.920) 4.719 7.346 ( -3.073 0.452 1.112) 3.299 7.414 ( -5.243 1.647 -1.936) 5.826 7.600 ( 6.779 -2.058 9.079) 11.516 7.734 ( 1.580 -4.961 7.025) 8.744 7.851 ( 0.181 -5.067 3.480) 6.149 7.949 ( -0.938 -6.009 3.696) 7.117 8.123 ( -0.339 8.142 -5.528) 9.847 8.181 ( -1.996 8.405 -3.250) 9.229 8.461 ( 2.196 11.340 2.103) 11.741 8.552 ( -0.968 4.909 3.390) 6.044 8.780 ( 3.792 3.829 3.998) 6.710 9.025 ( -7.995 -3.664 -1.025) 8.855 9.138 ( -1.024 1.159 -2.901) 3.288 9.249 ( -1.096 -0.791 -6.887) 7.018 9.269 ( 5.726 0.346 2.762) 6.367 9.500 ( 8.238 -2.186 -11.201) 14.075 9.558 ( -0.352 -2.553 -5.063) 5.681 9.855 ( -5.098 -5.526 -19.565) 20.960 10.425 ( 0.605 2.530 -1.998) 3.281 10.581 ( -4.974 -0.873 -5.949) 7.803 10.719 ( 1.889 -1.883 0.233) 2.677 10.802 ( 0.229 -3.528 -2.373) 4.258 11.583 ( -0.827 -7.544 0.379) 7.599 11.788 ( 0.135 -8.301 -0.140) 8.303 11.857 ( -4.462 -3.956 1.909) 6.261 12.057 ( -4.162 -0.398 3.645) 5.547 12.143 ( 3.320 -1.240 -0.493) 3.578 12.265 ( 3.472 0.464 -1.639) 3.868 12.318 ( 3.898 4.833 -1.638) 6.421 12.455 ( -3.931 6.751 -6.400) 10.099 12.582 ( 9.627 6.532 -0.096) 11.635 12.717 ( 0.065 1.162 -4.931) 5.067 12.883 ( -1.399 -3.726 -0.838) 4.067 12.941 ( -0.870 -5.162 -1.270) 5.387 13.897 ( -1.045 0.478 -1.679) 2.035 13.923 ( -1.840 0.792 -2.442) 3.159 14.204 ( 0.580 -0.706 3.375) 3.496 14.258 ( 1.605 -1.376 5.442) 5.838 14.371 ( -3.143 0.832 3.501) 4.778 14.383 ( -3.110 -1.641 -1.285) 3.743 14.568 ( 2.668 -4.036 3.552) 6.002 14.616 ( 0.310 -6.252 2.196) 6.634 14.831 ( 4.725 6.522 3.841) 8.923 14.937 ( -0.736 6.368 9.596) 11.540 15.208 ( 4.820 0.310 0.870) 4.908 15.362 ( 1.058 -4.282 0.864) 4.495 15.425 ( -0.764 -1.986 0.080) 2.130 15.640 ( 0.407 1.537 -0.636) 1.713 15.704 ( 2.708 -1.296 -0.314) 3.019 15.913 ( -4.459 0.066 -2.830) 5.281 16.080 ( 2.725 17.398 -10.078) 20.290 16.455 ( -12.295 11.482 -14.940) 22.499 17.346 ( 7.095 -4.531 0.308) 8.424 17.573 ( -3.280 -10.392 -2.366) 11.151 18.198 ( 2.176 1.599 -2.928) 3.983 18.208 ( 5.330 -0.031 -8.732) 10.230 18.331 ( -3.368 -0.686 -3.712) 5.059 18.413 ( -2.278 -0.846 -7.086) 7.491 24.569 ( 3.666 0.865 -1.126) 3.932 24.636 ( 0.546 -0.225 -1.408) 1.527 24.809 ( 0.018 -1.911 -4.311) 4.715 24.896 ( -3.231 -3.573 -8.628) 9.882 26.510 ( 0.387 0.337 2.441) 2.494 26.544 ( -1.241 0.481 2.458) 2.795 26.638 ( 2.036 -1.432 1.836) 3.093 26.710 ( -1.308 -3.057 0.710) 3.400 28.091 ( 4.339 1.762 5.910) 7.541 28.268 ( -1.613 0.473 3.473) 3.859 28.324 ( 0.679 2.759 5.397) 6.099 28.336 ( -0.185 2.443 3.958) 4.654 28.391 ( -1.188 -0.311 4.015) 4.199 28.399 ( -2.645 3.497 2.556) 5.075 28.558 ( 0.180 3.189 -0.012) 3.194 28.618 ( -2.931 7.361 1.189) 8.011 28.733 ( 5.895 4.978 0.223) 7.719 29.046 ( -8.108 -1.905 -5.447) 9.952 29.225 ( 1.716 -1.098 4.361) 4.813 29.293 ( -1.910 0.102 3.046) 3.597 29.754 ( 10.661 1.601 -7.232) 12.982 29.979 ( 0.365 -0.474 -0.226) 0.640 30.005 ( 0.296 0.669 -0.759) 1.054 30.128 ( -4.414 1.588 -12.680) 13.520 30.294 ( -0.393 -0.851 4.062) 4.169 30.351 ( -4.450 -3.544 8.139) 9.930 30.733 ( 9.140 -6.985 1.083) 11.555 31.091 ( -7.355 -11.634 -3.380) 14.173 ======================= Grid point 112 (42/72) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.504 -1.828 9.735) 11.849 1.906 ( 6.504 -1.828 9.735) 11.849 2.222 ( -5.854 5.399 9.242) 12.200 2.222 ( 5.854 5.399 9.242) 12.200 2.353 ( -1.334 6.466 0.130) 6.603 2.353 ( 1.334 6.466 0.130) 6.603 2.699 ( -1.969 -2.255 -2.871) 4.148 2.699 ( 1.969 -2.255 -2.871) 4.148 2.887 ( -3.585 -8.682 1.868) 9.577 2.887 ( 3.585 -8.682 1.868) 9.577 3.206 ( -12.309 -1.261 3.422) 12.838 3.206 ( 12.309 -1.261 3.422) 12.838 3.376 ( -1.805 1.039 -2.376) 3.160 3.376 ( 1.805 1.039 -2.376) 3.160 3.615 ( -13.513 3.693 12.098) 18.510 3.615 ( 13.513 3.693 12.098) 18.510 3.880 ( -2.314 2.467 1.583) 3.735 3.880 ( 2.314 2.467 1.583) 3.735 3.937 ( -5.976 3.771 -4.549) 8.404 3.937 ( 5.976 3.771 -4.549) 8.404 4.279 ( -3.026 0.662 -3.329) 4.547 4.279 ( 3.026 0.662 -3.329) 4.547 4.546 ( -3.996 0.269 -12.828) 13.438 4.546 ( 3.996 0.269 -12.828) 13.438 4.797 ( -2.921 5.541 1.944) 6.558 4.797 ( 2.921 5.541 1.944) 6.558 5.286 ( -4.727 0.232 -0.449) 4.754 5.286 ( 4.727 0.232 -0.449) 4.754 5.420 ( -3.213 -2.339 1.760) 4.347 5.420 ( 3.213 -2.339 1.760) 4.347 5.651 ( -3.556 2.216 -2.723) 4.997 5.651 ( 3.556 2.216 -2.723) 4.997 5.806 ( -5.992 0.368 -3.282) 6.842 5.806 ( 5.992 0.368 -3.282) 6.842 5.890 ( -3.193 -0.185 -0.876) 3.316 5.890 ( 3.193 -0.185 -0.876) 3.316 6.194 ( -4.790 1.104 3.755) 6.185 6.194 ( 4.790 1.104 3.755) 6.185 6.476 ( -10.241 -2.545 -0.415) 10.561 6.476 ( 10.241 -2.545 -0.415) 10.561 6.739 ( -2.263 -0.360 2.940) 3.727 6.739 ( 2.263 -0.360 2.940) 3.727 6.951 ( -1.893 -5.320 2.712) 6.265 6.951 ( 1.893 -5.320 2.712) 6.265 7.224 ( -5.688 2.006 2.527) 6.539 7.224 ( 5.688 2.006 2.527) 6.539 7.327 ( -2.546 0.704 -1.006) 2.827 7.327 ( 2.546 0.704 -1.006) 2.827 7.719 ( -4.241 -3.259 8.262) 9.842 7.719 ( 4.241 -3.259 8.262) 9.842 7.888 ( -4.102 -6.822 2.701) 8.406 7.888 ( 4.102 -6.822 2.701) 8.406 8.137 ( -2.142 9.519 -2.157) 9.993 8.137 ( 2.142 9.519 -2.157) 9.993 8.511 ( -2.965 9.379 2.243) 10.089 8.511 ( 2.965 9.379 2.243) 10.089 8.882 ( -6.956 -0.450 2.498) 7.404 8.882 ( 6.956 -0.450 2.498) 7.404 9.186 ( -4.712 0.527 -5.759) 7.460 9.186 ( 4.712 0.527 -5.759) 7.460 9.418 ( -8.524 -1.774 0.237) 8.710 9.418 ( 8.524 -1.774 0.237) 8.710 9.719 ( -9.414 -3.720 -17.924) 20.585 9.719 ( 9.414 -3.720 -17.924) 20.585 10.476 ( -4.990 1.232 -3.484) 6.209 10.476 ( 4.990 1.232 -3.484) 6.209 10.774 ( -2.862 -2.587 -1.100) 4.012 10.774 ( 2.862 -2.587 -1.100) 4.012 11.644 ( -7.201 -4.938 4.846) 9.986 11.644 ( 7.201 -4.938 4.846) 9.986 11.945 ( -6.635 -4.077 0.372) 7.796 11.945 ( 6.635 -4.077 0.372) 7.796 12.255 ( -7.324 2.144 -1.953) 7.877 12.255 ( 7.324 2.144 -1.953) 7.877 12.368 ( -3.878 -0.325 -7.763) 8.684 12.368 ( 3.878 -0.325 -7.763) 8.684 12.724 ( -3.506 5.797 -2.310) 7.158 12.724 ( 3.506 5.797 -2.310) 7.158 12.885 ( -3.298 -3.887 1.011) 5.196 12.885 ( 3.298 -3.887 1.011) 5.196 13.894 ( -0.863 0.510 -1.180) 1.548 13.894 ( 0.863 0.510 -1.180) 1.548 14.247 ( -3.117 -2.625 1.584) 4.372 14.247 ( 3.117 -2.625 1.584) 4.372 14.340 ( -0.944 0.384 2.496) 2.696 14.340 ( 0.944 0.384 2.496) 2.696 14.609 ( -1.384 -5.169 2.753) 6.017 14.609 ( 1.384 -5.169 2.753) 6.017 14.905 ( -2.956 6.943 6.452) 9.928 14.905 ( 2.956 6.943 6.452) 9.928 15.304 ( -5.077 -1.498 -0.909) 5.371 15.304 ( 5.077 -1.498 -0.909) 5.371 15.528 ( -8.827 -2.553 2.903) 9.636 15.528 ( 8.827 -2.553 2.903) 9.636 15.817 ( -6.926 -0.022 -2.549) 7.380 15.817 ( 6.926 -0.022 -2.549) 7.380 16.214 ( -11.855 15.724 -12.538) 23.345 16.214 ( 11.855 15.724 -12.538) 23.345 17.480 ( -6.581 -7.739 -1.690) 10.299 17.480 ( 6.581 -7.739 -1.690) 10.299 18.249 ( -2.989 0.864 -4.567) 5.527 18.249 ( 2.989 0.864 -4.567) 5.527 18.337 ( -5.331 -0.956 -6.439) 8.414 18.337 ( 5.331 -0.956 -6.439) 8.414 24.629 ( -1.887 0.341 -1.693) 2.558 24.629 ( 1.887 0.341 -1.693) 2.558 24.832 ( -2.821 -2.946 -6.621) 7.777 24.832 ( 2.821 -2.946 -6.621) 7.777 26.523 ( -0.935 0.603 2.655) 2.879 26.523 ( 0.935 0.603 2.655) 2.879 26.678 ( -2.108 -2.379 1.133) 3.375 26.678 ( 2.108 -2.379 1.133) 3.375 28.192 ( -5.791 1.418 5.346) 8.008 28.192 ( 5.791 1.418 5.346) 8.008 28.345 ( -1.013 5.682 4.809) 7.512 28.345 ( 1.013 5.682 4.809) 7.512 28.365 ( -1.156 -2.127 2.650) 3.590 28.365 ( 1.156 -2.127 2.650) 3.590 28.572 ( -1.657 6.134 1.071) 6.444 28.572 ( 1.657 6.134 1.071) 6.444 28.877 ( -9.149 1.523 -2.183) 9.529 28.877 ( 9.149 1.523 -2.183) 9.529 29.262 ( -1.897 -1.003 3.739) 4.311 29.262 ( 1.897 -1.003 3.739) 4.311 29.935 ( -6.954 -0.619 -7.362) 10.146 29.935 ( 6.954 -0.619 -7.362) 10.146 30.034 ( -3.726 2.542 -4.790) 6.579 30.034 ( 3.726 2.542 -4.790) 6.579 30.298 ( -1.180 -1.951 6.020) 6.437 30.298 ( 1.180 -1.951 6.020) 6.437 30.920 ( -10.421 -9.519 0.348) 14.118 30.920 ( 10.421 -9.519 0.348) 14.118 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 1.098 16.404) 16.440 2.000 ( 0.000 5.427 9.973) 11.354 2.140 ( 0.000 2.327 2.631) 3.513 2.333 ( 0.000 -5.218 -0.467) 5.239 2.356 ( 0.000 -1.356 5.054) 5.232 2.485 ( 0.000 -10.263 0.774) 10.292 2.694 ( 0.000 -0.708 10.963) 10.986 2.750 ( 0.000 -1.394 5.609) 5.780 2.775 ( 0.000 7.136 -0.300) 7.142 2.789 ( 0.000 7.849 -6.765) 10.362 2.998 ( 0.000 -4.357 0.523) 4.388 3.285 ( 0.000 -7.847 -2.081) 8.118 3.401 ( 0.000 2.638 -6.424) 6.945 3.459 ( 0.000 3.399 7.147) 7.914 3.561 ( 0.000 4.185 7.008) 8.163 3.699 ( 0.000 3.510 3.842) 5.204 3.848 ( 0.000 1.439 -1.677) 2.210 3.876 ( 0.000 -3.461 -0.662) 3.524 4.012 ( 0.000 1.956 0.500) 2.019 4.155 ( 0.000 5.908 -11.086) 12.562 4.196 ( 0.000 -2.172 3.944) 4.502 4.473 ( 0.000 6.381 -8.609) 10.716 4.505 ( 0.000 3.696 -9.559) 10.249 4.592 ( 0.000 -2.685 -4.613) 5.338 4.903 ( 0.000 9.216 2.235) 9.483 5.057 ( 0.000 8.425 -0.170) 8.427 5.177 ( 0.000 0.962 5.473) 5.557 5.261 ( 0.000 -0.767 4.736) 4.798 5.299 ( 0.000 -5.053 0.692) 5.100 5.508 ( 0.000 4.581 -3.428) 5.721 5.591 ( 0.000 -0.814 -1.777) 1.955 5.612 ( 0.000 -1.210 1.999) 2.337 5.660 ( 0.000 -6.990 -1.946) 7.255 5.754 ( 0.000 -3.377 -1.639) 3.753 5.919 ( 0.000 6.320 -1.683) 6.541 6.069 ( 0.000 -0.960 -2.035) 2.250 6.176 ( 0.000 0.567 -4.200) 4.238 6.242 ( 0.000 -1.856 -1.603) 2.452 6.390 ( 0.000 4.425 3.685) 5.759 6.598 ( 0.000 -3.377 6.825) 7.615 6.665 ( 0.000 -6.521 3.606) 7.452 6.728 ( 0.000 -4.605 3.366) 5.704 6.882 ( 0.000 3.054 -4.504) 5.441 6.941 ( 0.000 0.960 -5.723) 5.803 7.223 ( 0.000 4.825 4.412) 6.538 7.352 ( 0.000 -0.152 5.814) 5.816 7.352 ( 0.000 -1.173 2.268) 2.553 7.473 ( 0.000 -3.248 6.674) 7.423 7.516 ( 0.000 2.504 -0.143) 2.508 7.618 ( 0.000 -2.943 5.308) 6.070 7.755 ( 0.000 -4.546 6.089) 7.599 7.786 ( 0.000 -7.949 8.756) 11.826 8.358 ( 0.000 6.750 -6.176) 9.149 8.361 ( 0.000 13.692 -4.687) 14.472 8.548 ( 0.000 -1.864 2.645) 3.235 8.728 ( 0.000 11.140 -1.423) 11.230 8.909 ( 0.000 4.580 5.591) 7.227 8.980 ( 0.000 -0.848 -6.487) 6.542 9.122 ( 0.000 -3.716 -0.769) 3.794 9.267 ( 0.000 -4.238 -8.617) 9.603 9.302 ( 0.000 4.452 -2.311) 5.016 9.339 ( 0.000 3.724 -0.500) 3.757 9.482 ( 0.000 -4.825 -2.515) 5.441 9.733 ( 0.000 -10.293 -14.681) 17.930 10.493 ( 0.000 3.054 -1.985) 3.642 10.572 ( 0.000 -2.190 -1.015) 2.414 10.681 ( 0.000 -3.213 -1.841) 3.703 10.703 ( 0.000 -1.928 -5.672) 5.990 11.441 ( 0.000 -5.284 -3.689) 6.444 11.540 ( 0.000 -7.724 -7.154) 10.528 12.002 ( 0.000 1.222 -2.151) 2.474 12.004 ( 0.000 -2.212 2.187) 3.111 12.043 ( 0.000 -0.047 7.078) 7.078 12.355 ( 0.000 3.662 -2.553) 4.464 12.377 ( 0.000 4.221 0.349) 4.236 12.394 ( 0.000 -10.695 -1.412) 10.788 12.705 ( 0.000 5.485 -2.987) 6.246 12.771 ( 0.000 2.012 -5.856) 6.192 12.849 ( 0.000 2.879 -2.115) 3.572 12.890 ( 0.000 2.343 -3.651) 4.338 13.891 ( 0.000 -2.396 1.363) 2.757 13.895 ( 0.000 -3.661 3.223) 4.878 14.225 ( 0.000 2.033 4.537) 4.971 14.276 ( 0.000 1.627 3.140) 3.536 14.361 ( 0.000 -2.401 7.260) 7.647 14.386 ( 0.000 -2.476 1.481) 2.885 14.500 ( 0.000 -0.260 2.382) 2.397 14.515 ( 0.000 -2.379 1.495) 2.810 14.935 ( 0.000 8.809 2.358) 9.119 15.060 ( 0.000 4.287 8.178) 9.234 15.179 ( 0.000 2.033 0.521) 2.099 15.304 ( 0.000 0.931 0.868) 1.273 15.409 ( 0.000 -4.690 -2.850) 5.488 15.549 ( 0.000 -7.671 -3.192) 8.309 15.670 ( 0.000 2.737 -2.021) 3.402 15.921 ( 0.000 -3.621 0.138) 3.624 16.507 ( 0.000 22.323 -5.827) 23.071 16.818 ( 0.000 11.490 -15.292) 19.128 17.182 ( 0.000 -5.486 -1.809) 5.777 17.312 ( 0.000 -16.119 -2.839) 16.367 18.148 ( 0.000 -0.018 -7.453) 7.453 18.183 ( 0.000 -1.465 -3.814) 4.085 18.369 ( 0.000 1.132 -4.135) 4.287 18.416 ( 0.000 -0.717 -6.852) 6.890 24.564 ( 0.000 1.949 -0.813) 2.111 24.618 ( 0.000 -0.562 -1.300) 1.416 24.779 ( 0.000 -1.285 -3.474) 3.704 24.840 ( 0.000 -4.198 -6.269) 7.545 26.516 ( 0.000 0.814 1.623) 1.816 26.559 ( 0.000 -0.338 1.657) 1.691 26.602 ( 0.000 -0.259 2.528) 2.541 26.650 ( 0.000 -3.189 1.348) 3.462 28.102 ( 0.000 3.027 5.599) 6.365 28.227 ( 0.000 -2.695 3.448) 4.377 28.383 ( 0.000 2.879 6.089) 6.735 28.423 ( 0.000 1.153 5.904) 6.016 28.447 ( 0.000 4.758 2.685) 5.463 28.540 ( 0.000 -0.855 -1.528) 1.751 28.553 ( 0.000 7.655 1.389) 7.780 28.784 ( 0.000 2.374 0.409) 2.409 28.870 ( 0.000 9.485 0.759) 9.515 29.015 ( 0.000 -3.971 -1.783) 4.353 29.202 ( 0.000 0.222 3.238) 3.246 29.330 ( 0.000 -2.077 -0.282) 2.096 29.702 ( 0.000 5.060 -0.703) 5.108 29.936 ( 0.000 -3.759 3.333) 5.024 30.021 ( 0.000 1.463 0.802) 1.668 30.199 ( 0.000 -5.777 3.091) 6.552 30.211 ( 0.000 2.343 -5.088) 5.602 30.407 ( 0.000 4.322 -3.684) 5.679 30.493 ( 0.000 -7.585 -3.007) 8.160 30.853 ( 0.000 -15.790 -5.445) 16.702 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 1.005 4.714 11.865) 12.807 2.048 ( -2.240 2.371 0.280) 3.274 2.165 ( 7.022 5.687 15.644) 18.066 2.306 ( -1.093 -6.144 0.930) 6.310 2.356 ( -0.440 -3.157 3.747) 4.919 2.487 ( -0.704 -2.855 3.099) 4.272 2.621 ( -4.338 -6.129 11.021) 13.336 2.717 ( -2.168 -3.075 3.606) 5.212 2.782 ( 0.331 10.596 -6.838) 12.615 2.866 ( 0.285 1.457 0.994) 1.786 2.992 ( 4.051 -1.770 -0.241) 4.428 3.248 ( -4.083 -7.739 -1.152) 8.826 3.409 ( 0.999 3.451 -4.268) 5.579 3.500 ( -4.006 4.417 4.456) 7.444 3.515 ( 5.364 2.539 7.416) 9.498 3.734 ( -1.087 -2.139 2.358) 3.364 3.858 ( 2.614 -0.631 0.233) 2.699 3.914 ( 4.004 1.913 -2.973) 5.342 3.985 ( -1.637 5.651 0.934) 5.957 4.141 ( -4.064 0.520 -4.253) 5.905 4.224 ( 4.667 3.786 -2.393) 6.468 4.433 ( -4.167 6.133 -6.836) 10.085 4.507 ( 0.660 1.286 -9.471) 9.580 4.575 ( -1.778 -2.846 -5.802) 6.702 4.916 ( 1.286 9.009 2.678) 9.487 5.001 ( -3.704 7.864 2.510) 9.048 5.185 ( 0.906 -2.530 1.147) 2.921 5.267 ( -2.070 -5.908 2.168) 6.625 5.357 ( 6.853 4.185 2.470) 8.401 5.543 ( -1.449 5.429 -2.476) 6.140 5.599 ( 2.322 -0.413 -1.481) 2.785 5.640 ( 2.860 -2.172 -0.428) 3.617 5.678 ( 4.204 -5.218 -0.716) 6.739 5.788 ( 3.491 -3.509 -2.489) 5.540 5.905 ( -1.789 5.041 -2.333) 5.836 6.013 ( -5.804 -0.178 -3.900) 6.995 6.177 ( 0.889 1.149 -0.894) 1.705 6.278 ( 3.928 -2.552 0.231) 4.690 6.337 ( -5.145 3.272 3.911) 7.244 6.552 ( -6.262 -5.730 6.961) 10.977 6.699 ( 3.538 -2.107 -1.842) 4.511 6.739 ( 0.647 -3.096 5.115) 6.013 6.837 ( -2.774 1.031 -1.493) 3.315 6.906 ( -3.053 -1.391 -3.069) 4.547 7.211 ( 0.568 3.150 4.423) 5.459 7.294 ( -1.312 -1.355 2.262) 2.945 7.364 ( -2.828 1.571 1.578) 3.599 7.447 ( -6.069 0.796 -2.292) 6.536 7.555 ( 6.316 -1.561 9.465) 11.485 7.648 ( 2.590 -3.562 6.430) 7.794 7.741 ( -0.973 -4.781 7.494) 8.942 7.778 ( -1.558 -7.748 8.182) 11.375 8.348 ( -0.464 9.541 -4.867) 10.720 8.359 ( -0.500 10.967 -3.721) 11.591 8.585 ( 3.722 -1.726 0.486) 4.131 8.718 ( -1.565 7.042 -2.376) 7.595 8.916 ( 0.622 5.777 5.029) 7.684 8.957 ( -1.992 4.126 -2.292) 5.123 9.140 ( 2.106 -1.322 -0.939) 2.658 9.242 ( -0.392 -0.651 -7.951) 7.988 9.299 ( 1.256 3.165 0.972) 3.541 9.450 ( 5.673 -2.473 -7.614) 9.811 9.471 ( 0.000 -5.143 -2.806) 5.858 9.693 ( -4.247 -9.908 -14.327) 17.929 10.492 ( 0.607 3.546 -1.767) 4.008 10.576 ( -1.145 0.730 -4.107) 4.326 10.665 ( 0.851 -3.014 -0.644) 3.197 10.724 ( 0.424 -3.649 -3.557) 5.114 11.460 ( 3.182 -3.106 -1.447) 4.676 11.610 ( 6.807 -8.250 -5.590) 12.069 11.834 ( -13.654 1.774 2.150) 13.936 12.019 ( -6.369 -3.036 2.439) 7.465 12.102 ( 7.871 -1.433 -1.030) 8.067 12.199 ( 1.467 -6.605 -6.235) 9.201 12.445 ( 1.090 6.359 -2.176) 6.809 12.565 ( -7.794 4.888 -4.704) 10.332 12.649 ( 7.354 -0.585 -0.473) 7.393 12.736 ( 2.822 -1.735 -3.004) 4.472 12.852 ( -0.249 2.108 -0.956) 2.328 12.924 ( -0.472 2.759 -2.216) 3.570 13.875 ( 0.883 -0.776 3.354) 3.554 13.946 ( 1.936 0.053 1.602) 2.514 14.149 ( -4.204 -2.772 5.883) 7.744 14.244 ( -3.548 -2.282 3.502) 5.483 14.361 ( -1.186 0.972 0.970) 1.815 14.396 ( -0.479 1.397 3.894) 4.164 14.497 ( 0.728 -3.215 2.673) 4.244 14.516 ( 0.625 -2.606 2.981) 4.009 14.996 ( 5.133 8.564 2.892) 10.395 15.096 ( 2.190 8.050 4.914) 9.683 15.221 ( 4.552 0.364 1.120) 4.702 15.320 ( 2.673 0.135 1.266) 2.961 15.417 ( -2.119 0.230 -1.103) 2.400 15.534 ( 1.422 -9.251 -3.231) 9.902 15.648 ( -2.474 -1.208 -0.614) 2.821 15.874 ( -5.229 -4.684 -0.431) 7.033 16.519 ( 2.096 21.771 -7.619) 23.161 16.742 ( -6.988 14.816 -13.467) 21.206 17.211 ( 2.715 -8.753 -3.032) 9.654 17.306 ( -0.970 -14.626 -3.389) 15.045 18.201 ( 5.078 -0.377 -6.797) 8.492 18.207 ( 2.669 -0.671 -4.073) 4.915 18.338 ( -3.016 1.246 -3.989) 5.154 18.393 ( -2.771 -1.077 -6.695) 7.325 24.596 ( 3.065 1.661 -1.524) 3.804 24.633 ( 1.404 -0.038 -1.541) 2.085 24.765 ( -1.229 -1.932 -3.553) 4.227 24.811 ( -2.873 -4.074 -5.844) 7.682 26.524 ( 0.785 1.015 1.830) 2.235 26.556 ( -0.420 0.600 1.960) 2.093 26.606 ( 0.554 -1.399 2.110) 2.592 26.642 ( -0.800 -3.056 1.401) 3.455 28.141 ( 4.021 2.848 5.699) 7.534 28.252 ( 2.426 -2.049 3.691) 4.869 28.346 ( -4.162 1.936 6.522) 7.976 28.383 ( -2.886 0.298 4.336) 5.217 28.458 ( 1.057 5.444 2.506) 6.085 28.532 ( -1.992 7.618 1.745) 8.065 28.582 ( 3.361 -0.436 -0.695) 3.460 28.734 ( -4.378 2.071 -0.244) 4.850 28.888 ( 2.054 8.403 1.416) 8.766 29.020 ( -1.241 0.409 -1.685) 2.132 29.184 ( -0.674 -2.424 3.667) 4.447 29.278 ( -3.684 -2.266 1.372) 4.537 29.809 ( 8.934 3.730 -2.952) 10.122 29.955 ( 1.733 -1.856 1.708) 3.061 30.022 ( 0.076 0.970 -0.098) 0.978 30.164 ( -4.062 -1.754 -2.368) 5.019 30.233 ( 2.338 0.149 -0.150) 2.348 30.357 ( -3.872 4.043 -2.911) 6.309 30.553 ( 5.340 -9.485 -1.624) 11.005 30.800 ( -5.426 -15.041 -4.055) 16.496 ======================= Grid point 117 (45/72) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -6.120 5.682 5.310) 9.896 1.943 ( 6.120 5.682 5.310) 9.896 2.306 ( -1.272 -0.054 3.776) 3.985 2.306 ( 1.272 -0.054 3.776) 3.985 2.379 ( -7.696 -2.314 12.535) 14.890 2.379 ( 7.696 -2.314 12.535) 14.890 2.645 ( -4.945 -7.781 2.957) 9.682 2.645 ( 4.945 -7.781 2.957) 9.682 2.811 ( -2.907 7.151 -2.501) 8.114 2.811 ( 2.907 7.151 -2.501) 8.114 3.134 ( -8.063 -5.144 -0.165) 9.565 3.134 ( 8.063 -5.144 -0.165) 9.565 3.439 ( -2.380 4.717 0.016) 5.283 3.439 ( 2.380 4.717 0.016) 5.283 3.639 ( -7.156 -1.960 4.944) 8.916 3.639 ( 7.156 -1.960 4.944) 8.916 3.928 ( -3.213 3.051 -0.657) 4.479 3.928 ( 3.213 3.051 -0.657) 4.479 4.033 ( -6.527 2.694 -2.492) 7.488 4.033 ( 6.527 2.694 -2.492) 7.488 4.332 ( -6.296 5.095 -4.305) 9.172 4.332 ( 6.296 5.095 -4.305) 9.172 4.535 ( -2.172 -1.793 -8.168) 8.640 4.535 ( 2.172 -1.793 -8.168) 8.640 4.948 ( -2.152 8.310 3.067) 9.115 4.948 ( 2.152 8.310 3.067) 9.115 5.219 ( -2.622 -4.799 0.714) 5.515 5.219 ( 2.622 -4.799 0.714) 5.515 5.471 ( -5.139 4.712 0.529) 6.992 5.471 ( 5.139 4.712 0.529) 6.992 5.641 ( -1.540 -2.647 -1.656) 3.482 5.641 ( 1.540 -2.647 -1.656) 3.482 5.822 ( -6.551 1.189 -3.516) 7.529 5.822 ( 6.551 1.189 -3.516) 7.529 5.887 ( -5.985 -0.396 -2.622) 6.546 5.887 ( 5.985 -0.396 -2.622) 6.546 6.228 ( -4.851 2.385 3.273) 6.319 6.228 ( 4.851 2.385 3.273) 6.319 6.400 ( -8.525 -4.652 2.038) 9.923 6.400 ( 8.525 -4.652 2.038) 9.923 6.737 ( -0.661 0.643 1.793) 2.016 6.737 ( 0.661 0.643 1.793) 2.016 6.847 ( -3.059 -4.213 0.660) 5.248 6.847 ( 3.059 -4.213 0.660) 5.248 7.272 ( -5.373 2.204 1.804) 6.081 7.272 ( 5.373 2.204 1.804) 6.081 7.331 ( -4.823 -0.362 -0.369) 4.851 7.331 ( 4.823 -0.362 -0.369) 4.851 7.660 ( -3.494 -2.177 9.077) 9.967 7.660 ( 3.494 -2.177 9.077) 9.967 7.736 ( -1.763 -6.645 7.252) 9.993 7.736 ( 1.763 -6.645 7.252) 9.993 8.348 ( -0.485 10.409 -3.366) 10.951 8.348 ( 0.485 10.409 -3.366) 10.951 8.663 ( -4.112 0.299 -1.997) 4.581 8.663 ( 4.112 0.299 -1.997) 4.581 8.929 ( -0.909 8.463 2.846) 8.975 8.929 ( 0.909 8.463 2.846) 8.975 9.200 ( -3.641 0.274 -4.003) 5.419 9.200 ( 3.641 0.274 -4.003) 5.419 9.384 ( -5.962 -0.963 -1.341) 6.186 9.384 ( 5.962 -0.963 -1.341) 6.186 9.591 ( -6.464 -8.517 -12.534) 16.475 9.591 ( 6.464 -8.517 -12.534) 16.475 10.527 ( -3.003 3.689 -3.219) 5.743 10.527 ( 3.003 3.689 -3.219) 5.743 10.706 ( -2.245 -3.869 -1.649) 4.767 10.706 ( 2.245 -3.869 -1.649) 4.767 11.582 ( -9.793 -0.144 1.359) 9.888 11.582 ( 9.793 -0.144 1.359) 9.888 11.808 ( -11.483 -8.341 -2.687) 14.444 11.808 ( 11.483 -8.341 -2.687) 14.444 12.304 ( -12.885 2.155 -4.118) 13.697 12.304 ( 12.885 2.155 -4.118) 13.697 12.360 ( -10.266 -0.411 -5.911) 11.853 12.360 ( 10.266 -0.411 -5.911) 11.853 12.813 ( -4.117 1.124 -1.241) 4.445 12.813 ( 4.117 1.124 -1.241) 4.445 12.842 ( -7.418 0.883 0.424) 7.482 12.842 ( 7.418 0.883 0.424) 7.482 13.921 ( -3.500 2.783 3.273) 5.542 13.921 ( 3.500 2.783 3.273) 5.542 14.159 ( -4.436 -6.279 4.291) 8.805 14.159 ( 4.436 -6.279 4.291) 8.805 14.363 ( -1.576 2.810 1.273) 3.464 14.363 ( 1.576 2.810 1.273) 3.464 14.519 ( -0.661 -3.691 3.585) 5.188 14.519 ( 0.661 -3.691 3.585) 5.188 15.082 ( -3.474 9.208 2.944) 10.272 15.082 ( 3.474 9.208 2.944) 10.272 15.320 ( -5.402 1.325 -0.577) 5.592 15.320 ( 5.402 1.325 -0.577) 5.592 15.453 ( -8.926 -2.233 1.861) 9.388 15.453 ( 8.926 -2.233 1.861) 9.388 15.731 ( -9.242 -7.458 -1.475) 11.967 15.731 ( 9.242 -7.458 -1.475) 11.967 16.604 ( -6.892 19.523 -10.743) 23.325 16.604 ( 6.892 19.523 -10.743) 23.325 17.268 ( -3.023 -12.418 -3.806) 13.335 17.268 ( 3.023 -12.418 -3.806) 13.335 18.267 ( -3.460 0.899 -4.227) 5.536 18.267 ( 3.460 0.899 -4.227) 5.536 18.314 ( -5.280 -1.229 -6.237) 8.264 18.314 ( 5.280 -1.229 -6.237) 8.264 24.646 ( -1.082 1.398 -2.035) 2.695 24.646 ( 1.082 1.398 -2.035) 2.695 24.759 ( -1.592 -3.731 -4.499) 6.058 24.759 ( 1.592 -3.731 -4.499) 6.058 26.542 ( -1.019 1.261 2.132) 2.678 26.542 ( 1.019 1.261 2.132) 2.678 26.623 ( -1.116 -2.615 1.593) 3.259 26.623 ( 1.116 -2.615 1.593) 3.259 28.236 ( -5.565 2.546 5.768) 8.410 28.236 ( 5.565 2.546 5.768) 8.410 28.322 ( -3.349 -1.624 4.417) 5.776 28.322 ( 3.349 -1.624 4.417) 5.776 28.489 ( -2.235 6.901 2.071) 7.544 28.489 ( 2.235 6.901 2.071) 7.544 28.652 ( -4.199 0.757 -0.462) 4.292 28.652 ( 4.199 0.757 -0.462) 4.292 28.952 ( -4.616 5.996 0.607) 7.591 28.952 ( 4.616 5.996 0.607) 7.591 29.214 ( -3.166 -3.920 2.605) 5.673 29.214 ( 3.166 -3.920 2.605) 5.673 29.946 ( -4.256 1.920 -2.704) 5.395 29.946 ( 4.256 1.920 -2.704) 5.395 30.064 ( -5.384 -0.746 -1.839) 5.738 30.064 ( 5.384 -0.746 -1.839) 5.738 30.288 ( -3.433 2.671 -0.451) 4.373 30.288 ( 3.433 2.671 -0.451) 4.373 30.675 ( -7.384 -13.010 -1.749) 15.061 30.675 ( 7.384 -13.010 -1.749) 15.061 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 -7.088 5.391) 8.905 1.993 ( 0.000 7.088 5.391) 8.905 2.251 ( 0.000 -10.392 11.185) 15.267 2.251 ( 0.000 10.392 11.185) 15.267 2.311 ( 0.000 -2.464 0.518) 2.518 2.311 ( 0.000 2.464 0.518) 2.518 2.692 ( 0.000 -1.583 8.230) 8.380 2.692 ( 0.000 1.583 8.230) 8.380 2.884 ( 0.000 -3.154 0.478) 3.190 2.884 ( 0.000 3.154 0.478) 3.190 3.065 ( 0.000 -11.601 -1.981) 11.769 3.065 ( 0.000 11.601 -1.981) 11.769 3.461 ( 0.000 -2.080 -1.346) 2.478 3.461 ( 0.000 2.080 -1.346) 2.478 3.697 ( 0.000 -5.733 -0.918) 5.806 3.697 ( 0.000 5.733 -0.918) 5.806 3.819 ( 0.000 -0.628 1.160) 1.320 3.819 ( 0.000 0.628 1.160) 1.320 4.099 ( 0.000 -5.366 -1.207) 5.500 4.099 ( 0.000 5.366 -1.207) 5.500 4.389 ( 0.000 -11.538 -4.099) 12.245 4.389 ( 0.000 11.538 -4.099) 12.245 4.571 ( 0.000 -2.245 -7.023) 7.373 4.571 ( 0.000 2.245 -7.023) 7.373 5.077 ( 0.000 -6.318 2.222) 6.697 5.077 ( 0.000 6.318 2.222) 6.697 5.196 ( 0.000 -1.565 4.227) 4.507 5.196 ( 0.000 1.565 4.227) 4.507 5.427 ( 0.000 -11.495 0.335) 11.500 5.427 ( 0.000 11.495 0.335) 11.500 5.572 ( 0.000 -1.141 -1.955) 2.264 5.572 ( 0.000 1.141 -1.955) 2.264 5.677 ( 0.000 -3.885 -2.310) 4.519 5.677 ( 0.000 3.885 -2.310) 4.519 6.018 ( 0.000 -3.535 -0.487) 3.568 6.018 ( 0.000 3.535 -0.487) 3.568 6.198 ( 0.000 -1.748 -3.528) 3.938 6.198 ( 0.000 1.748 -3.528) 3.938 6.494 ( 0.000 -5.600 6.752) 8.773 6.494 ( 0.000 5.600 6.752) 8.773 6.637 ( 0.000 -2.931 3.013) 4.204 6.637 ( 0.000 2.931 3.013) 4.204 6.941 ( 0.000 -1.644 -7.389) 7.570 6.941 ( 0.000 1.644 -7.389) 7.570 7.308 ( 0.000 -3.104 2.166) 3.785 7.308 ( 0.000 3.104 2.166) 3.785 7.389 ( 0.000 -3.988 7.158) 8.194 7.389 ( 0.000 3.988 7.158) 8.194 7.568 ( 0.000 -2.347 2.727) 3.598 7.568 ( 0.000 2.347 2.727) 3.598 7.699 ( 0.000 -0.044 9.994) 9.994 7.699 ( 0.000 0.044 9.994) 9.994 8.476 ( 0.000 -4.595 -1.001) 4.702 8.476 ( 0.000 4.595 -1.001) 4.702 8.644 ( 0.000 -12.442 -5.407) 13.567 8.644 ( 0.000 12.442 -5.407) 13.567 9.026 ( 0.000 -6.514 1.438) 6.671 9.026 ( 0.000 6.514 1.438) 6.671 9.134 ( 0.000 -8.303 -5.969) 10.226 9.134 ( 0.000 8.303 -5.969) 10.226 9.390 ( 0.000 -4.173 -2.901) 5.083 9.390 ( 0.000 4.173 -2.901) 5.083 9.498 ( 0.000 -11.197 -5.321) 12.397 9.498 ( 0.000 11.197 -5.321) 12.397 10.536 ( 0.000 -1.390 0.580) 1.506 10.536 ( 0.000 1.390 0.580) 1.506 10.664 ( 0.000 -1.292 -5.950) 6.089 10.664 ( 0.000 1.292 -5.950) 6.089 11.422 ( 0.000 -3.041 -5.629) 6.398 11.422 ( 0.000 3.041 -5.629) 6.398 11.988 ( 0.000 -0.525 0.618) 0.811 11.988 ( 0.000 0.525 0.618) 0.811 12.159 ( 0.000 -9.238 -0.503) 9.252 12.159 ( 0.000 9.238 -0.503) 9.252 12.418 ( 0.000 -0.549 -1.166) 1.289 12.418 ( 0.000 0.549 -1.166) 1.289 12.749 ( 0.000 -1.383 -3.834) 4.076 12.749 ( 0.000 1.383 -3.834) 4.076 12.934 ( 0.000 -1.085 -3.496) 3.661 12.934 ( 0.000 1.085 -3.496) 3.661 13.854 ( 0.000 -0.302 4.256) 4.267 13.854 ( 0.000 0.302 4.256) 4.267 14.269 ( 0.000 -1.686 2.378) 2.915 14.269 ( 0.000 1.686 2.378) 2.915 14.343 ( 0.000 -0.969 6.901) 6.968 14.343 ( 0.000 0.969 6.901) 6.968 14.500 ( 0.000 -0.057 1.467) 1.468 14.500 ( 0.000 0.057 1.467) 1.468 15.076 ( 0.000 -3.265 6.310) 7.104 15.076 ( 0.000 3.265 6.310) 7.104 15.263 ( 0.000 -6.424 -2.953) 7.071 15.263 ( 0.000 6.424 -2.953) 7.071 15.393 ( 0.000 -6.159 -1.072) 6.251 15.393 ( 0.000 6.159 -1.072) 6.251 15.795 ( 0.000 -7.710 -1.568) 7.868 15.795 ( 0.000 7.710 -1.568) 7.868 16.937 ( 0.000 -18.189 -5.763) 19.080 16.937 ( 0.000 18.189 -5.763) 19.080 17.039 ( 0.000 -7.534 -6.933) 10.239 17.039 ( 0.000 7.534 -6.933) 10.239 18.155 ( 0.000 -0.862 -5.465) 5.532 18.155 ( 0.000 0.862 -5.465) 5.532 18.396 ( 0.000 -1.226 -5.561) 5.694 18.396 ( 0.000 1.226 -5.561) 5.694 24.600 ( 0.000 -1.306 -1.269) 1.822 24.600 ( 0.000 1.306 -1.269) 1.822 24.777 ( 0.000 -1.505 -4.162) 4.426 24.777 ( 0.000 1.505 -4.162) 4.426 26.540 ( 0.000 -1.334 1.446) 1.967 26.540 ( 0.000 1.334 1.446) 1.967 26.607 ( 0.000 -0.905 1.984) 2.180 26.607 ( 0.000 0.905 1.984) 2.180 28.167 ( 0.000 -3.108 4.757) 5.682 28.167 ( 0.000 3.108 4.757) 5.682 28.427 ( 0.000 -1.041 6.692) 6.773 28.427 ( 0.000 1.041 6.692) 6.773 28.514 ( 0.000 -1.913 0.333) 1.942 28.514 ( 0.000 1.913 0.333) 1.942 28.718 ( 0.000 -7.286 -0.550) 7.307 28.718 ( 0.000 7.286 -0.550) 7.307 28.986 ( 0.000 -1.320 1.656) 2.117 28.986 ( 0.000 1.320 1.656) 2.117 29.251 ( 0.000 -4.529 0.855) 4.609 29.251 ( 0.000 4.529 0.855) 4.609 29.824 ( 0.000 -6.365 3.223) 7.135 29.824 ( 0.000 6.365 3.223) 7.135 30.074 ( 0.000 -4.095 1.864) 4.499 30.074 ( 0.000 4.095 1.864) 4.499 30.334 ( 0.000 -7.369 -4.723) 8.753 30.334 ( 0.000 7.369 -4.723) 8.753 30.566 ( 0.000 -11.116 -6.586) 12.920 30.566 ( 0.000 11.116 -6.586) 12.920 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.824 -7.990 4.477) 9.925 2.029 ( 3.824 7.990 4.477) 9.925 2.235 ( -4.548 -3.422 2.548) 6.236 2.235 ( -4.548 3.422 2.548) 6.236 2.331 ( 5.354 -7.540 9.918) 13.560 2.331 ( 5.354 7.540 9.918) 13.560 2.625 ( -6.664 -4.164 9.339) 12.205 2.625 ( -6.664 4.164 9.339) 12.205 2.925 ( 3.716 -2.361 -0.646) 4.450 2.925 ( 3.716 2.361 -0.646) 4.450 3.048 ( -1.902 -10.559 -2.169) 10.946 3.048 ( -1.902 10.559 -2.169) 10.946 3.486 ( 2.660 -3.181 -0.284) 4.156 3.486 ( 2.660 3.181 -0.284) 4.156 3.638 ( -4.685 -6.529 1.118) 8.114 3.638 ( -4.685 6.529 1.118) 8.114 3.892 ( 6.103 -3.208 -1.423) 7.040 3.892 ( 6.103 3.208 -1.423) 7.040 4.083 ( -2.171 -4.782 -1.591) 5.487 4.083 ( -2.171 4.782 -1.591) 5.487 4.406 ( 1.892 -9.651 -4.452) 10.796 4.406 ( 1.892 9.651 -4.452) 10.796 4.532 ( -3.671 -2.426 -6.335) 7.713 4.532 ( -3.671 2.426 -6.335) 7.713 5.082 ( 0.660 -5.221 2.203) 5.704 5.082 ( 0.660 5.221 2.203) 5.704 5.154 ( -3.037 -3.967 3.693) 6.213 5.154 ( -3.037 3.967 3.693) 6.213 5.496 ( 4.544 -8.062 -0.694) 9.280 5.496 ( 4.544 8.062 -0.694) 9.281 5.603 ( 0.711 -1.266 -0.123) 1.457 5.603 ( 0.711 1.266 -0.123) 1.457 5.697 ( 5.220 -5.124 -3.637) 8.169 5.697 ( 5.220 5.124 -3.637) 8.169 5.984 ( -4.071 -2.617 -2.398) 5.401 5.984 ( -4.071 2.617 -2.398) 5.401 6.215 ( 2.403 -2.782 -0.502) 3.710 6.215 ( 2.403 2.782 -0.502) 3.710 6.431 ( -6.191 -5.551 5.823) 10.151 6.431 ( -6.191 5.551 5.823) 10.151 6.686 ( 4.307 -1.545 2.566) 5.246 6.686 ( 4.307 1.545 2.566) 5.246 6.879 ( -5.580 -1.946 -5.000) 7.741 6.879 ( -5.580 1.946 -5.000) 7.741 7.262 ( -0.889 -1.814 3.240) 3.818 7.262 ( -0.889 1.814 3.240) 3.818 7.411 ( -2.878 -3.008 0.529) 4.196 7.411 ( -2.878 3.008 0.529) 4.196 7.577 ( 2.832 -3.104 7.659) 8.736 7.577 ( 2.832 3.104 7.659) 8.736 7.691 ( -1.020 -0.558 10.129) 10.196 7.691 ( -1.020 0.558 10.129) 10.196 8.496 ( 2.117 -5.815 -1.326) 6.329 8.496 ( 2.117 5.815 -1.326) 6.329 8.613 ( -2.982 -10.984 -4.266) 12.155 8.613 ( -2.982 10.984 -4.266) 12.155 9.068 ( 4.010 -6.111 0.669) 7.340 9.068 ( 4.010 6.111 0.669) 7.340 9.156 ( 1.306 -8.424 -5.404) 10.093 9.156 ( 1.306 8.424 -5.404) 10.093 9.379 ( 0.000 -2.981 -2.902) 4.160 9.379 ( 0.000 2.981 -2.902) 4.160 9.484 ( -2.149 -7.807 -6.143) 10.163 9.484 ( -2.149 7.807 -6.143) 10.163 10.562 ( 2.581 -3.026 -0.442) 4.002 10.562 ( 2.581 3.026 -0.442) 4.002 10.655 ( -1.154 -2.692 -4.913) 5.720 10.655 ( -1.154 2.692 -4.913) 5.720 11.474 ( 5.940 -4.227 -4.199) 8.413 11.474 ( 5.940 4.227 -4.199) 8.413 11.921 ( -15.707 -5.864 0.403) 16.771 11.921 ( -15.707 5.864 0.403) 16.771 12.100 ( 9.850 -1.796 -3.725) 10.683 12.100 ( 9.850 1.796 -3.725) 10.683 12.571 ( -1.849 -5.372 -2.614) 6.254 12.571 ( -1.849 5.372 -2.614) 6.254 12.666 ( 3.064 -4.081 -3.234) 6.042 12.666 ( 3.064 4.081 -3.234) 6.042 12.930 ( -1.883 -2.894 -1.257) 3.674 12.930 ( -1.883 2.894 -1.257) 3.674 13.902 ( 4.900 -3.105 4.608) 7.408 13.902 ( 4.900 3.105 4.608) 7.408 14.164 ( -7.831 -3.788 4.443) 9.768 14.164 ( -7.831 3.788 4.443) 9.768 14.400 ( 2.954 -1.624 4.169) 5.361 14.400 ( 2.954 1.624 4.169) 5.361 14.475 ( -2.053 -1.266 1.901) 3.071 14.475 ( -2.053 1.266 1.901) 3.071 15.138 ( 5.698 -4.520 4.576) 8.593 15.138 ( 5.698 4.520 4.576) 8.593 15.320 ( 2.264 -9.643 -1.559) 10.027 15.320 ( 2.264 9.643 -1.559) 10.027 15.375 ( 2.026 -3.359 -0.718) 3.987 15.375 ( 2.026 3.359 -0.718) 3.987 15.729 ( -7.114 -7.715 -1.320) 10.578 15.729 ( -7.114 7.715 -1.320) 10.578 16.934 ( 0.616 -17.629 -6.094) 18.663 16.934 ( 0.616 17.629 -6.094) 18.663 17.027 ( -1.779 -12.060 -7.358) 14.239 17.027 ( -1.779 12.060 -7.358) 14.239 18.196 ( 4.191 -0.090 -5.233) 6.705 18.196 ( 4.191 0.090 -5.233) 6.705 18.367 ( -3.097 -1.400 -5.420) 6.398 18.367 ( -3.097 1.400 -5.420) 6.398 24.627 ( 2.690 -0.906 -1.793) 3.357 24.627 ( 2.690 0.906 -1.793) 3.357 24.752 ( -2.636 -1.157 -3.835) 4.795 24.752 ( -2.636 1.157 -3.835) 4.795 26.551 ( 1.068 -1.322 1.560) 2.307 26.551 ( 1.068 1.322 1.560) 2.307 26.598 ( -0.944 -1.032 1.940) 2.391 26.598 ( -0.944 1.032 1.940) 2.391 28.201 ( 3.513 -2.787 4.979) 6.701 28.201 ( 3.513 2.787 4.979) 6.701 28.379 ( -4.401 -0.917 5.920) 7.433 28.379 ( -4.401 0.917 5.920) 7.433 28.546 ( 2.797 -2.947 0.798) 4.140 28.546 ( 2.797 2.947 0.798) 4.140 28.682 ( -3.454 -6.019 -0.309) 6.946 28.682 ( -3.454 6.019 -0.309) 6.946 29.018 ( 3.277 -3.499 1.845) 5.137 29.018 ( 3.277 3.499 1.845) 5.137 29.194 ( -5.069 -4.520 1.510) 6.958 29.194 ( -5.069 4.520 1.510) 6.958 29.895 ( 6.289 -3.991 1.474) 7.593 29.895 ( 6.289 3.991 1.474) 7.593 30.067 ( -1.300 -3.951 1.029) 4.285 30.067 ( -1.300 3.951 1.029) 4.285 30.351 ( 2.296 -7.893 -4.098) 9.185 30.351 ( 2.296 7.893 -4.098) 9.185 30.524 ( -4.301 -10.488 -5.477) 12.589 30.524 ( -4.301 10.488 -5.477) 12.589 ======================= Grid point 124 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.040 -10.893 2.716) 12.306 2.126 ( 3.189 -10.717 2.716) 11.506 2.126 ( -3.189 10.717 2.716) 11.506 2.126 ( 5.040 10.893 2.716) 12.306 2.473 ( -8.726 -7.435 10.755) 15.719 2.473 ( 6.590 -6.864 10.755) 14.360 2.473 ( -6.590 6.864 10.755) 14.360 2.473 ( 8.726 7.435 10.755) 15.719 2.996 ( -3.280 -8.295 -1.887) 9.117 2.996 ( 2.905 -8.260 -1.887) 8.956 2.996 ( -2.905 8.260 -1.887) 8.956 2.996 ( 3.280 8.295 -1.887) 9.117 3.552 ( -4.136 -5.563 1.226) 7.040 3.552 ( 3.540 -5.459 1.226) 6.622 3.552 ( -3.540 5.459 1.226) 6.622 3.552 ( 4.136 5.563 1.226) 7.040 4.008 ( -5.568 -3.781 -2.327) 7.121 4.008 ( 1.944 -2.736 -2.327) 4.084 4.008 ( -1.944 2.736 -2.327) 4.084 4.008 ( 5.568 3.781 -2.327) 7.121 4.459 ( -3.592 -5.593 -5.189) 8.433 4.459 ( 3.211 -5.535 -5.189) 8.239 4.459 ( -3.211 5.535 -5.189) 8.239 4.459 ( 3.592 5.593 -5.189) 8.433 5.107 ( -1.604 -6.509 2.684) 7.221 5.107 ( 1.301 -6.492 2.684) 7.144 5.107 ( -1.301 6.492 2.684) 7.144 5.107 ( 1.604 6.509 2.684) 7.221 5.565 ( -3.188 -4.249 -0.892) 5.387 5.565 ( 2.746 -4.171 -0.892) 5.073 5.565 ( -2.746 4.171 -0.892) 5.073 5.565 ( 3.188 4.249 -0.892) 5.387 5.860 ( -8.995 -1.931 -3.476) 9.835 5.860 ( -8.362 0.991 -3.476) 9.110 5.860 ( 8.362 -0.991 -3.476) 9.110 5.860 ( 8.995 1.931 -3.476) 9.835 6.300 ( -6.658 -4.530 3.325) 8.712 6.300 ( 5.629 -4.167 3.325) 7.753 6.300 ( -5.629 4.167 3.325) 7.753 6.300 ( 6.658 4.530 3.325) 8.712 6.775 ( -4.331 -2.441 -0.060) 4.972 6.775 ( -2.551 -1.701 -0.060) 3.067 6.775 ( 2.551 1.701 -0.060) 3.067 6.775 ( 4.331 2.441 -0.060) 4.972 7.310 ( -5.555 -1.540 0.847) 5.826 7.310 ( -5.554 1.539 0.847) 5.826 7.310 ( 5.554 -1.539 0.847) 5.826 7.310 ( 5.555 1.540 0.847) 5.826 7.649 ( -3.307 -1.461 9.578) 10.238 7.649 ( -1.851 -0.507 9.578) 9.769 7.649 ( 1.851 0.507 9.578) 9.769 7.649 ( 3.307 1.461 9.578) 10.238 8.550 ( -3.370 -8.668 -2.413) 9.608 8.550 ( 3.259 -8.657 -2.413) 9.560 8.550 ( -3.259 8.657 -2.413) 9.560 8.550 ( 3.370 8.668 -2.413) 9.608 9.141 ( -2.934 -7.671 -1.881) 8.426 9.141 ( 2.842 -7.662 -1.882) 8.386 9.141 ( -2.842 7.662 -1.882) 8.386 9.141 ( 2.934 7.671 -1.881) 8.426 9.420 ( -3.484 -5.652 -5.445) 8.587 9.420 ( 2.288 -5.497 -5.445) 8.069 9.420 ( -2.288 5.497 -5.445) 8.069 9.420 ( 3.484 5.652 -5.445) 8.587 10.617 ( -2.605 -4.563 -2.705) 5.910 10.617 ( 1.978 -4.484 -2.705) 5.598 10.617 ( -1.978 4.484 -2.705) 5.598 10.617 ( 2.605 4.563 -2.705) 5.910 11.648 ( -12.484 -6.055 -1.891) 14.003 11.648 ( -3.367 -0.729 -1.891) 3.930 11.648 ( 3.367 0.729 -1.891) 3.930 11.648 ( 12.484 6.055 -1.891) 14.003 12.342 ( -14.713 -1.328 -5.644) 15.814 12.342 ( -14.673 1.212 -5.644) 15.768 12.342 ( 14.673 -1.212 -5.644) 15.768 12.342 ( 14.713 1.328 -5.644) 15.814 12.839 ( -8.042 -1.409 -0.087) 8.165 12.839 ( -7.861 1.124 -0.087) 7.941 12.839 ( 7.861 -1.124 -0.087) 7.941 12.839 ( 8.042 1.409 -0.087) 8.165 14.019 ( -6.454 -6.112 4.936) 10.167 14.019 ( 1.142 -5.222 4.936) 7.276 14.019 ( -1.142 5.222 4.936) 7.276 14.019 ( 6.454 6.112 4.936) 10.167 14.440 ( -1.366 -3.994 2.657) 4.987 14.440 ( 0.946 -3.963 2.657) 4.864 14.440 ( -0.946 3.963 2.657) 4.864 14.440 ( 1.366 3.994 2.657) 4.987 15.250 ( -5.683 -6.672 1.624) 8.914 15.250 ( 4.897 -6.514 1.624) 8.310 15.250 ( -4.897 6.514 1.624) 8.310 15.250 ( 5.683 6.672 1.624) 8.914 15.547 ( -10.824 -8.817 -0.947) 13.993 15.547 ( 3.842 -7.220 -0.947) 8.233 15.547 ( -3.842 7.220 -0.947) 8.233 15.547 ( 10.824 8.817 -0.947) 13.993 16.974 ( -3.258 -16.047 -7.094) 17.845 16.974 ( 3.242 -16.046 -7.094) 17.841 16.974 ( -3.242 16.046 -7.094) 17.841 16.974 ( 3.258 16.047 -7.094) 17.845 18.288 ( -5.100 -1.116 -5.164) 7.343 18.288 ( -4.932 0.908 -5.164) 7.198 18.288 ( 4.932 -0.908 -5.164) 7.198 18.288 ( 5.100 1.116 -5.164) 7.343 24.690 ( -2.385 -2.438 -2.912) 4.485 24.690 ( -1.732 -2.297 -2.912) 4.093 24.690 ( 1.732 2.297 -2.912) 4.093 24.690 ( 2.385 2.438 -2.912) 4.485 26.575 ( -1.107 -1.931 1.785) 2.853 26.575 ( 0.452 -1.864 1.785) 2.620 26.575 ( -0.452 1.864 1.785) 2.620 26.575 ( 1.107 1.931 1.785) 2.853 28.285 ( -5.192 -2.047 5.451) 7.801 28.285 ( -3.400 0.583 5.451) 6.451 28.285 ( 3.400 -0.583 5.451) 6.451 28.285 ( 5.192 2.047 5.451) 7.801 28.610 ( -3.966 -4.346 0.342) 5.893 28.610 ( 3.946 -4.341 0.342) 5.877 28.610 ( -3.946 4.341 0.342) 5.877 28.610 ( 3.966 4.346 0.342) 5.893 29.097 ( -4.170 -6.952 1.946) 8.337 29.097 ( 2.198 -6.722 1.946) 7.335 29.097 ( -2.198 6.722 1.946) 7.335 29.097 ( 4.170 6.952 1.946) 8.337 30.008 ( -4.516 -3.405 -0.060) 5.656 30.008 ( -0.184 -2.550 -0.060) 2.557 30.008 ( 0.184 2.550 -0.060) 2.557 30.008 ( 4.516 3.405 -0.060) 5.656 30.427 ( -5.137 -10.066 -3.768) 11.912 30.427 ( 4.470 -9.986 -3.768) 11.572 30.427 ( -4.470 9.986 -3.768) 11.572 30.427 ( 5.137 10.066 -3.768) 11.912 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 0.000 -15.250) 15.250 1.904 ( 0.000 0.000 -19.139) 19.139 2.256 ( 0.000 0.000 9.929) 9.929 2.371 ( 0.000 0.000 3.459) 3.459 2.375 ( 0.000 0.000 0.021) 0.021 2.557 ( 0.000 0.000 -6.813) 6.813 2.722 ( 0.000 0.000 21.878) 21.878 2.761 ( 0.000 0.000 13.293) 13.293 2.823 ( 0.000 0.000 3.377) 3.377 2.989 ( 0.000 0.000 -0.100) 0.100 3.137 ( 0.000 0.000 2.010) 2.010 3.216 ( 0.000 0.000 -2.379) 2.379 3.336 ( 0.000 0.000 -8.758) 8.758 3.355 ( 0.000 0.000 4.927) 4.927 3.655 ( 0.000 0.000 -5.945) 5.945 3.730 ( 0.000 0.000 4.672) 4.672 3.788 ( 0.000 0.000 -4.637) 4.637 3.891 ( 0.000 0.000 -3.069) 3.069 3.932 ( 0.000 0.000 -5.316) 5.316 3.953 ( 0.000 0.000 -1.464) 1.464 4.036 ( 0.000 0.000 -7.915) 7.915 4.112 ( 0.000 0.000 -5.328) 5.328 4.510 ( 0.000 0.000 9.990) 9.990 4.573 ( 0.000 0.000 6.060) 6.060 4.713 ( 0.000 0.000 1.884) 1.884 4.766 ( 0.000 0.000 -1.681) 1.681 5.275 ( 0.000 0.000 5.972) 5.972 5.403 ( 0.000 0.000 2.039) 2.039 5.488 ( 0.000 0.000 -5.047) 5.047 5.490 ( 0.000 0.000 5.246) 5.246 5.512 ( 0.000 0.000 -2.224) 2.224 5.572 ( 0.000 0.000 2.979) 2.979 5.657 ( 0.000 0.000 1.031) 1.031 5.823 ( 0.000 0.000 -9.415) 9.415 5.894 ( 0.000 0.000 1.045) 1.045 5.932 ( 0.000 0.000 -0.501) 0.501 6.113 ( 0.000 0.000 -2.045) 2.045 6.151 ( 0.000 0.000 -3.972) 3.972 6.382 ( 0.000 0.000 6.103) 6.103 6.625 ( 0.000 0.000 -4.622) 4.622 6.744 ( 0.000 0.000 -0.293) 0.293 6.826 ( 0.000 0.000 -2.537) 2.537 6.978 ( 0.000 0.000 3.314) 3.314 7.015 ( 0.000 0.000 1.692) 1.692 7.276 ( 0.000 0.000 8.899) 8.899 7.371 ( 0.000 0.000 -0.076) 0.076 7.408 ( 0.000 0.000 -1.134) 1.134 7.490 ( 0.000 0.000 1.044) 1.044 7.729 ( 0.000 0.000 7.278) 7.278 7.878 ( 0.000 0.000 1.512) 1.512 7.929 ( 0.000 0.000 -0.234) 0.234 7.966 ( 0.000 0.000 3.491) 3.491 8.017 ( 0.000 0.000 -0.649) 0.649 8.033 ( 0.000 0.000 -3.086) 3.086 8.439 ( 0.000 0.000 8.638) 8.638 8.637 ( 0.000 0.000 2.538) 2.538 8.751 ( 0.000 0.000 6.951) 6.951 9.102 ( 0.000 0.000 -8.468) 8.468 9.122 ( 0.000 0.000 -3.683) 3.683 9.158 ( 0.000 0.000 -4.010) 4.010 9.206 ( 0.000 0.000 -0.551) 0.551 9.291 ( 0.000 0.000 6.142) 6.142 9.519 ( 0.000 0.000 -5.253) 5.253 9.535 ( 0.000 0.000 -20.204) 20.204 10.389 ( 0.000 0.000 1.140) 1.140 10.512 ( 0.000 0.000 -5.682) 5.682 10.723 ( 0.000 0.000 -0.293) 0.293 10.784 ( 0.000 0.000 -2.740) 2.740 11.712 ( 0.000 0.000 -4.119) 4.119 11.734 ( 0.000 0.000 -4.343) 4.343 12.105 ( 0.000 0.000 -0.501) 0.501 12.145 ( 0.000 0.000 -0.521) 0.521 12.190 ( 0.000 0.000 1.149) 1.149 12.244 ( 0.000 0.000 0.420) 0.420 12.251 ( 0.000 0.000 11.353) 11.353 12.316 ( 0.000 0.000 2.579) 2.579 12.321 ( 0.000 0.000 0.848) 0.848 12.631 ( 0.000 0.000 -7.752) 7.752 12.933 ( 0.000 0.000 0.068) 0.068 13.000 ( 0.000 0.000 -2.456) 2.456 13.748 ( 0.000 0.000 -5.242) 5.242 13.790 ( 0.000 0.000 -6.555) 6.555 14.265 ( 0.000 0.000 2.736) 2.736 14.355 ( 0.000 0.000 -2.334) 2.334 14.358 ( 0.000 0.000 2.060) 2.060 14.435 ( 0.000 0.000 -1.568) 1.568 14.689 ( 0.000 0.000 3.856) 3.856 14.735 ( 0.000 0.000 1.529) 1.529 14.886 ( 0.000 0.000 12.597) 12.597 15.152 ( 0.000 0.000 9.037) 9.037 15.186 ( 0.000 0.000 2.400) 2.400 15.404 ( 0.000 0.000 -5.461) 5.461 15.556 ( 0.000 0.000 2.355) 2.355 15.578 ( 0.000 0.000 4.212) 4.212 15.625 ( 0.000 0.000 2.150) 2.150 15.671 ( 0.000 0.000 1.074) 1.074 15.879 ( 0.000 0.000 -10.698) 10.698 16.168 ( 0.000 0.000 -15.467) 15.467 17.386 ( 0.000 0.000 5.378) 5.378 17.648 ( 0.000 0.000 -6.114) 6.114 18.068 ( 0.000 0.000 0.849) 0.849 18.119 ( 0.000 0.000 0.459) 0.459 18.279 ( 0.000 0.000 -6.969) 6.969 18.287 ( 0.000 0.000 -6.705) 6.705 24.535 ( 0.000 0.000 1.658) 1.658 24.610 ( 0.000 0.000 -1.206) 1.206 24.764 ( 0.000 0.000 -2.474) 2.474 24.805 ( 0.000 0.000 -5.869) 5.869 26.556 ( 0.000 0.000 2.069) 2.069 26.586 ( 0.000 0.000 0.710) 0.710 26.664 ( 0.000 0.000 1.874) 1.874 26.741 ( 0.000 0.000 -1.739) 1.739 28.151 ( 0.000 0.000 5.674) 5.674 28.291 ( 0.000 0.000 -1.075) 1.075 28.358 ( 0.000 0.000 3.591) 3.591 28.434 ( 0.000 0.000 0.440) 0.440 28.455 ( 0.000 0.000 7.582) 7.582 28.486 ( 0.000 0.000 2.203) 2.203 28.565 ( 0.000 0.000 -1.069) 1.069 28.577 ( 0.000 0.000 -0.298) 0.298 28.593 ( 0.000 0.000 5.711) 5.711 28.967 ( 0.000 0.000 -11.704) 11.704 29.290 ( 0.000 0.000 2.972) 2.972 29.346 ( 0.000 0.000 0.753) 0.753 29.541 ( 0.000 0.000 -0.320) 0.320 29.846 ( 0.000 0.000 -14.740) 14.740 29.964 ( 0.000 0.000 -0.041) 0.041 29.989 ( 0.000 0.000 -0.841) 0.841 30.441 ( 0.000 0.000 7.328) 7.328 30.649 ( 0.000 0.000 -2.354) 2.354 30.751 ( 0.000 0.000 12.568) 12.568 31.156 ( 0.000 0.000 -8.208) 8.208 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.205 0.000 -15.322) 15.370 1.882 ( -2.087 0.000 -17.885) 18.007 2.249 ( 0.339 0.000 12.124) 12.129 2.375 ( 0.482 0.000 3.243) 3.278 2.384 ( 0.556 0.000 0.519) 0.761 2.444 ( -8.663 0.000 12.533) 15.236 2.747 ( -0.553 0.000 9.342) 9.359 2.807 ( -1.950 0.000 3.520) 4.024 2.871 ( 12.789 0.000 0.013) 12.789 3.001 ( 1.448 0.000 1.766) 2.284 3.098 ( -3.069 0.000 2.856) 4.192 3.256 ( 3.012 0.000 -2.822) 4.128 3.330 ( -0.718 0.000 -6.734) 6.772 3.336 ( -5.101 0.000 -3.100) 5.969 3.634 ( -2.113 0.000 -8.581) 8.838 3.694 ( -3.718 0.000 1.214) 3.911 3.774 ( 4.148 0.000 2.222) 4.706 3.913 ( -2.094 0.000 -4.370) 4.846 3.918 ( 3.058 0.000 2.071) 3.694 4.019 ( -0.421 0.000 -0.075) 0.427 4.076 ( 7.099 0.000 -7.406) 10.259 4.169 ( 4.803 0.000 -1.419) 5.008 4.462 ( -4.256 0.000 5.427) 6.897 4.522 ( -5.116 0.000 5.832) 7.758 4.726 ( 1.283 0.000 1.468) 1.949 4.765 ( -0.286 0.000 -1.093) 1.130 5.285 ( 1.073 0.000 4.956) 5.071 5.365 ( -2.908 0.000 1.513) 3.278 5.495 ( 0.771 0.000 4.220) 4.290 5.513 ( 1.584 0.000 -2.902) 3.306 5.526 ( 1.247 0.000 -2.591) 2.876 5.558 ( -1.459 0.000 2.920) 3.264 5.682 ( 2.090 0.000 -0.630) 2.183 5.782 ( -3.524 0.000 -8.228) 8.951 5.892 ( -0.081 0.000 0.813) 0.817 5.921 ( -1.152 0.000 -0.348) 1.204 6.137 ( 4.500 0.000 0.691) 4.553 6.250 ( 8.216 0.000 -4.376) 9.309 6.375 ( -1.751 0.000 6.197) 6.439 6.613 ( -4.418 0.000 -4.799) 6.523 6.708 ( -0.696 0.000 -0.162) 0.715 6.790 ( -2.831 0.000 -2.763) 3.956 7.019 ( 3.988 0.000 3.023) 5.004 7.044 ( 2.822 0.000 2.011) 3.465 7.274 ( 0.409 0.000 8.277) 8.287 7.334 ( -3.385 0.000 0.025) 3.385 7.364 ( -4.260 0.000 -0.900) 4.354 7.422 ( -6.067 0.000 2.958) 6.750 7.775 ( 4.742 0.000 6.279) 7.869 7.908 ( 1.519 0.000 2.503) 2.928 7.941 ( 1.339 0.000 -0.503) 1.430 7.976 ( 0.880 0.000 3.021) 3.146 8.015 ( -1.827 0.000 -2.422) 3.034 8.017 ( -0.568 0.000 -2.206) 2.278 8.458 ( 2.054 0.000 7.491) 7.768 8.585 ( -4.023 0.000 4.329) 5.910 8.818 ( 5.618 0.000 4.683) 7.314 9.036 ( -5.273 0.000 -1.825) 5.580 9.055 ( -3.277 0.000 -2.198) 3.946 9.139 ( -2.985 0.000 -5.748) 6.477 9.279 ( 5.935 0.000 -8.353) 10.247 9.347 ( 4.904 0.000 4.221) 6.470 9.496 ( -4.064 0.000 -18.922) 19.354 9.511 ( -1.623 0.000 -3.826) 4.156 10.393 ( 0.680 0.000 0.967) 1.182 10.481 ( -2.959 0.000 -4.041) 5.008 10.736 ( 1.611 0.000 -0.315) 1.642 10.791 ( -0.037 0.000 -2.819) 2.819 11.702 ( 3.164 0.000 1.338) 3.436 11.864 ( 9.238 0.000 -7.179) 11.699 12.066 ( -1.416 0.000 3.207) 3.506 12.076 ( -10.907 0.000 8.079) 13.573 12.132 ( -4.003 0.000 3.590) 5.377 12.211 ( 4.177 0.000 -3.555) 5.485 12.278 ( 1.335 0.000 -2.795) 3.097 12.279 ( -5.292 0.000 -2.420) 5.819 12.490 ( 9.888 0.000 2.159) 10.121 12.613 ( 0.102 0.000 -4.201) 4.202 12.933 ( -0.503 0.000 0.217) 0.548 12.985 ( -1.874 0.000 -2.142) 2.846 13.759 ( 1.238 0.000 -4.776) 4.934 13.796 ( 0.239 0.000 -6.011) 6.016 14.261 ( 0.294 0.000 2.297) 2.316 14.338 ( -1.969 0.000 -2.013) 2.816 14.349 ( -0.701 0.000 1.569) 1.718 14.393 ( -3.361 0.000 -0.449) 3.391 14.696 ( 0.833 0.000 2.836) 2.956 14.735 ( -0.361 0.000 1.036) 1.097 14.944 ( 5.334 0.000 11.473) 12.652 15.124 ( -2.957 0.000 9.782) 10.219 15.237 ( 5.368 0.000 2.411) 5.885 15.439 ( 1.213 0.000 -7.392) 7.491 15.536 ( 0.172 0.000 4.162) 4.165 15.582 ( 0.671 0.000 3.029) 3.102 15.619 ( -0.717 0.000 2.500) 2.601 15.741 ( 7.102 0.000 -0.612) 7.128 15.803 ( -7.493 0.000 -8.880) 11.619 16.088 ( -7.975 0.000 -12.205) 14.580 17.434 ( 4.665 0.000 2.764) 5.422 17.616 ( -3.306 0.000 -5.016) 6.007 18.103 ( 2.801 0.000 -1.131) 3.021 18.143 ( 2.555 0.000 0.004) 2.555 18.234 ( -2.537 0.000 -5.795) 6.326 18.295 ( -1.047 0.000 -6.157) 6.245 24.562 ( 2.644 0.000 1.019) 2.834 24.618 ( 0.601 0.000 -0.874) 1.061 24.752 ( -1.034 0.000 -2.961) 3.137 24.781 ( -2.255 0.000 -5.451) 5.899 26.558 ( 0.309 0.000 2.137) 2.159 26.580 ( -0.573 0.000 1.381) 1.495 26.677 ( 1.255 0.000 0.903) 1.547 26.731 ( -1.052 0.000 -1.427) 1.772 28.185 ( 3.409 0.000 4.975) 6.031 28.294 ( -0.246 0.000 -0.184) 0.307 28.362 ( 0.537 0.000 4.029) 4.065 28.424 ( -2.415 0.000 6.177) 6.632 28.448 ( 1.213 0.000 0.985) 1.563 28.471 ( -1.003 0.000 1.964) 2.205 28.522 ( -2.515 0.000 2.082) 3.265 28.534 ( -2.901 0.000 -0.631) 2.969 28.691 ( 6.478 0.000 2.174) 6.833 28.921 ( -4.642 0.000 -7.571) 8.881 29.305 ( 1.393 0.000 2.601) 2.950 29.343 ( -0.329 0.000 1.067) 1.117 29.596 ( 5.324 0.000 -4.095) 6.717 29.808 ( -3.977 0.000 -13.521) 14.094 29.968 ( 0.435 0.000 -0.281) 0.518 29.988 ( -0.241 0.000 -0.940) 0.971 30.441 ( 0.283 0.000 6.906) 6.912 30.546 ( -6.110 0.000 4.191) 7.409 30.877 ( 8.559 0.000 4.652) 9.741 31.122 ( -3.713 0.000 -5.926) 6.993 ======================= Grid point 142 (51/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -2.306 0.000 -16.072) 16.237 1.839 ( 2.306 0.000 -16.072) 16.237 2.303 ( -5.685 0.000 15.859) 16.847 2.303 ( 5.685 0.000 15.859) 16.847 2.385 ( -0.418 0.000 2.252) 2.290 2.385 ( 0.418 0.000 2.252) 2.290 2.763 ( -2.133 0.000 4.590) 5.061 2.763 ( 2.133 0.000 4.590) 5.061 3.042 ( -2.792 0.000 3.378) 4.382 3.042 ( 2.792 0.000 3.378) 4.382 3.134 ( -14.434 0.000 -8.629) 16.817 3.134 ( 14.434 0.000 -8.629) 16.817 3.305 ( -2.084 0.000 -4.068) 4.571 3.305 ( 2.084 0.000 -4.068) 4.571 3.643 ( -2.407 0.000 -2.737) 3.645 3.643 ( 2.407 0.000 -2.737) 3.645 3.855 ( -4.071 0.000 -1.693) 4.409 3.855 ( 4.071 0.000 -1.693) 4.409 3.984 ( -3.189 0.000 2.675) 4.162 3.984 ( 3.189 0.000 2.675) 4.162 4.197 ( -4.011 0.000 0.881) 4.106 4.197 ( 4.011 0.000 0.881) 4.107 4.429 ( -2.840 0.000 1.821) 3.374 4.429 ( 2.840 0.000 1.821) 3.374 4.751 ( -1.200 0.000 0.283) 1.233 4.751 ( 1.200 0.000 0.283) 1.233 5.316 ( -2.272 0.000 2.888) 3.675 5.316 ( 2.272 0.000 2.888) 3.675 5.523 ( -2.086 0.000 2.932) 3.598 5.523 ( 2.086 0.000 2.932) 3.598 5.535 ( -0.532 0.000 -2.267) 2.328 5.535 ( 0.532 0.000 -2.267) 2.328 5.723 ( -2.545 0.000 -4.600) 5.257 5.723 ( 2.545 0.000 -4.600) 5.257 5.899 ( -0.923 0.000 0.172) 0.939 5.899 ( 0.923 0.000 0.172) 0.939 6.262 ( -7.353 0.000 3.802) 8.278 6.262 ( 7.353 0.000 3.802) 8.278 6.451 ( -10.545 0.000 -3.182) 11.014 6.451 ( 10.545 0.000 -3.182) 11.014 6.742 ( -2.598 0.000 -2.138) 3.364 6.742 ( 2.598 0.000 -2.138) 3.364 7.080 ( -0.734 0.000 2.699) 2.797 7.080 ( 0.734 0.000 2.699) 2.797 7.296 ( -1.105 0.000 -0.450) 1.193 7.296 ( 1.105 0.000 -0.450) 1.193 7.316 ( -4.406 0.000 6.089) 7.516 7.316 ( 4.406 0.000 6.089) 7.516 7.877 ( -4.997 0.000 3.804) 6.280 7.877 ( 4.997 0.000 3.804) 6.280 7.975 ( -2.195 0.000 -1.279) 2.541 7.975 ( 2.195 0.000 -1.279) 2.541 7.996 ( -1.258 0.000 0.433) 1.330 7.996 ( 1.258 0.000 0.433) 1.330 8.512 ( -3.647 0.000 5.676) 6.747 8.512 ( 3.647 0.000 5.676) 6.747 8.930 ( -6.120 0.000 2.256) 6.522 8.930 ( 6.120 0.000 2.256) 6.522 9.064 ( -3.712 0.000 -4.486) 5.822 9.064 ( 3.712 0.000 -4.486) 5.822 9.396 ( -6.362 0.000 -14.952) 16.249 9.396 ( 6.362 0.000 -14.952) 16.249 9.446 ( -5.100 0.000 0.049) 5.100 9.446 ( 5.100 0.000 0.049) 5.100 10.424 ( -2.687 0.000 -0.768) 2.794 10.424 ( 2.687 0.000 -0.768) 2.794 10.772 ( -1.808 0.000 -1.677) 2.466 10.772 ( 1.808 0.000 -1.677) 2.466 11.831 ( -9.838 0.000 4.858) 10.972 11.831 ( 9.838 0.000 4.858) 10.972 12.072 ( -2.046 0.000 4.906) 5.315 12.072 ( 2.046 0.000 4.906) 5.315 12.108 ( -11.384 0.000 -5.841) 12.795 12.108 ( 11.384 0.000 -5.841) 12.795 12.271 ( -2.011 0.000 -4.736) 5.145 12.271 ( 2.011 0.000 -4.736) 5.145 12.617 ( -2.655 0.000 -0.685) 2.742 12.617 ( 2.655 0.000 -0.685) 2.742 12.938 ( -2.110 0.000 -0.511) 2.171 12.938 ( 2.110 0.000 -0.511) 2.171 13.786 ( -1.313 0.000 -4.848) 5.022 13.786 ( 1.313 0.000 -4.848) 5.022 14.290 ( -2.631 0.000 -0.021) 2.631 14.290 ( 2.631 0.000 -0.021) 2.631 14.348 ( -1.075 0.000 0.610) 1.236 14.348 ( 1.075 0.000 0.610) 1.236 14.718 ( -1.308 0.000 1.359) 1.886 14.718 ( 1.308 0.000 1.359) 1.886 15.047 ( -5.191 0.000 10.596) 11.800 15.047 ( 5.191 0.000 10.596) 11.800 15.362 ( -7.108 0.000 0.137) 7.109 15.362 ( 7.108 0.000 0.137) 7.109 15.601 ( -1.164 0.000 2.554) 2.806 15.601 ( 1.164 0.000 2.554) 2.806 15.642 ( -8.854 0.000 -4.278) 9.834 15.642 ( 8.854 0.000 -4.278) 9.834 15.910 ( -10.338 0.000 -5.851) 11.879 15.910 ( 10.338 0.000 -5.851) 11.879 17.533 ( -5.415 0.000 -1.797) 5.705 17.533 ( 5.415 0.000 -1.797) 5.705 18.151 ( -2.266 0.000 -2.781) 3.587 18.151 ( 2.266 0.000 -2.781) 3.587 18.247 ( -3.562 0.000 -4.090) 5.424 18.247 ( 3.562 0.000 -4.090) 5.424 24.611 ( -1.866 0.000 0.020) 1.867 24.611 ( 1.866 0.000 0.020) 1.867 24.745 ( -0.872 0.000 -4.342) 4.429 24.745 ( 0.872 0.000 -4.342) 4.429 26.568 ( -0.703 0.000 2.060) 2.177 26.568 ( 0.703 0.000 2.060) 2.177 26.705 ( -1.618 0.000 -0.523) 1.701 26.705 ( 1.618 0.000 -0.523) 1.701 28.257 ( -3.672 0.000 2.784) 4.608 28.257 ( 3.672 0.000 2.784) 4.608 28.383 ( -1.725 0.000 5.083) 5.367 28.383 ( 1.725 0.000 5.083) 5.367 28.480 ( -1.121 0.000 0.776) 1.364 28.480 ( 0.179 0.000 0.885) 0.903 28.480 ( -0.087 0.000 0.911) 0.915 28.480 ( 1.029 0.000 0.971) 1.415 28.814 ( -6.523 0.000 -1.419) 6.676 28.814 ( 6.523 0.000 -1.419) 6.676 29.331 ( -1.099 0.000 1.815) 2.122 29.331 ( 1.099 0.000 1.815) 2.122 29.709 ( -6.304 0.000 -9.838) 11.684 29.709 ( 6.304 0.000 -9.838) 11.684 29.979 ( -0.646 0.000 -0.788) 1.019 29.979 ( 0.646 0.000 -0.788) 1.019 30.465 ( -2.644 0.000 5.982) 6.540 30.465 ( 2.644 0.000 5.982) 6.540 31.023 ( -6.867 0.000 -0.821) 6.916 31.023 ( 6.867 0.000 -0.821) 6.916 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 7.706 -8.708) 11.628 2.034 ( 0.000 10.527 -11.214) 15.381 2.243 ( 0.000 -0.266 7.582) 7.586 2.387 ( 0.000 2.047 2.196) 3.002 2.427 ( 0.000 3.415 2.797) 4.414 2.541 ( 0.000 -1.946 -4.689) 5.076 2.654 ( 0.000 -7.169 11.498) 13.550 2.733 ( 0.000 1.945 15.835) 15.954 2.855 ( 0.000 2.520 6.024) 6.530 2.953 ( 0.000 -3.159 1.392) 3.452 3.073 ( 0.000 -3.408 1.214) 3.618 3.218 ( 0.000 0.144 -4.025) 4.027 3.253 ( 0.000 -6.484 -11.304) 13.032 3.511 ( 0.000 6.311 -2.195) 6.682 3.630 ( 0.000 0.069 2.395) 2.396 3.784 ( 0.000 6.217 -3.053) 6.927 3.816 ( 0.000 -0.147 6.173) 6.175 3.846 ( 0.000 -1.603 -2.989) 3.392 3.958 ( 0.000 -1.146 3.759) 3.930 3.972 ( 0.000 2.345 -6.826) 7.217 4.065 ( 0.000 4.286 -9.733) 10.635 4.156 ( 0.000 4.554 -8.636) 9.763 4.469 ( 0.000 -3.896 7.483) 8.436 4.551 ( 0.000 -1.623 2.067) 2.628 4.785 ( 0.000 6.179 2.052) 6.511 4.851 ( 0.000 7.725 -1.394) 7.850 5.290 ( 0.000 0.889 6.662) 6.721 5.384 ( 0.000 -3.816 3.427) 5.129 5.405 ( 0.000 0.717 0.338) 0.793 5.454 ( 0.000 -4.268 0.798) 4.341 5.568 ( 0.000 0.531 -0.333) 0.627 5.644 ( 0.000 6.069 -2.751) 6.664 5.661 ( 0.000 0.081 0.854) 0.857 5.759 ( 0.000 -5.237 -4.964) 7.216 5.872 ( 0.000 -1.637 1.589) 2.281 5.942 ( 0.000 0.702 -4.295) 4.352 6.127 ( 0.000 0.849 -1.778) 1.971 6.173 ( 0.000 1.295 -4.659) 4.836 6.411 ( 0.000 2.906 6.082) 6.740 6.629 ( 0.000 0.263 -3.741) 3.751 6.742 ( 0.000 -0.068 -0.978) 0.981 6.799 ( 0.000 -1.838 -2.558) 3.149 6.942 ( 0.000 -3.847 4.792) 6.145 6.996 ( 0.000 -2.164 2.229) 3.106 7.270 ( 0.000 0.016 6.576) 6.576 7.393 ( 0.000 1.870 0.858) 2.058 7.432 ( 0.000 1.861 -1.446) 2.357 7.435 ( 0.000 -3.811 0.779) 3.890 7.693 ( 0.000 -2.380 6.511) 6.933 7.814 ( 0.000 -4.170 3.117) 5.207 7.942 ( 0.000 -2.044 4.854) 5.266 7.985 ( 0.000 -2.812 1.024) 2.992 8.062 ( 0.000 10.724 0.769) 10.751 8.127 ( 0.000 7.324 -1.872) 7.559 8.527 ( 0.000 7.419 4.281) 8.566 8.646 ( 0.000 0.367 2.664) 2.689 8.802 ( 0.000 4.507 4.717) 6.524 9.076 ( 0.000 -2.093 -7.334) 7.626 9.082 ( 0.000 -4.019 -0.978) 4.137 9.183 ( 0.000 1.724 -3.433) 3.842 9.208 ( 0.000 1.363 -0.281) 1.392 9.314 ( 0.000 1.482 3.623) 3.914 9.475 ( 0.000 -3.667 -12.734) 13.251 9.510 ( 0.000 -2.508 -11.219) 11.496 10.413 ( 0.000 2.233 0.662) 2.329 10.509 ( 0.000 -0.096 -4.892) 4.893 10.706 ( 0.000 -1.668 -0.423) 1.721 10.747 ( 0.000 -3.319 -1.836) 3.793 11.560 ( 0.000 -10.535 -2.560) 10.841 11.604 ( 0.000 -9.228 -4.339) 10.197 12.063 ( 0.000 -5.224 1.281) 5.379 12.108 ( 0.000 -4.965 0.261) 4.972 12.222 ( 0.000 -2.603 8.027) 8.439 12.248 ( 0.000 5.646 1.088) 5.750 12.286 ( 0.000 5.158 0.373) 5.171 12.460 ( 0.000 10.497 -0.353) 10.503 12.470 ( 0.000 11.092 0.257) 11.095 12.554 ( 0.000 -7.220 -8.433) 11.102 12.878 ( 0.000 -4.248 -1.066) 4.380 12.891 ( 0.000 -7.090 -1.381) 7.223 13.827 ( 0.000 5.255 -4.122) 6.679 13.850 ( 0.000 4.598 -4.813) 6.656 14.282 ( 0.000 1.849 2.833) 3.383 14.353 ( 0.000 0.496 4.139) 4.168 14.374 ( 0.000 -0.023 -1.238) 1.238 14.454 ( 0.000 1.372 0.010) 1.372 14.603 ( 0.000 -4.781 2.809) 5.545 14.652 ( 0.000 -6.588 1.081) 6.676 14.915 ( 0.000 2.604 10.473) 10.792 15.178 ( 0.000 2.538 7.160) 7.596 15.198 ( 0.000 1.080 2.817) 3.018 15.359 ( 0.000 -4.027 -3.110) 5.088 15.443 ( 0.000 -1.194 4.507) 4.662 15.589 ( 0.000 -1.946 -1.673) 2.566 15.617 ( 0.000 -3.649 -1.455) 3.928 15.905 ( 0.000 1.235 -4.586) 4.749 15.979 ( 0.000 21.128 -0.103) 21.128 16.255 ( 0.000 9.846 -15.823) 18.637 17.328 ( 0.000 -5.498 4.019) 6.811 17.531 ( 0.000 -10.329 -4.631) 11.320 18.068 ( 0.000 -0.004 0.411) 0.411 18.143 ( 0.000 1.127 -0.463) 1.219 18.268 ( 0.000 -1.211 -6.385) 6.499 18.281 ( 0.000 0.155 -6.648) 6.649 24.541 ( 0.000 0.609 1.281) 1.418 24.605 ( 0.000 -0.404 -1.134) 1.204 24.750 ( 0.000 -1.273 -2.374) 2.694 24.783 ( 0.000 -1.897 -5.202) 5.537 26.549 ( 0.000 -0.475 1.846) 1.906 26.583 ( 0.000 -0.267 0.429) 0.505 26.655 ( 0.000 -0.773 1.707) 1.873 26.714 ( 0.000 -2.315 -1.123) 2.573 28.165 ( 0.000 1.351 5.286) 5.456 28.286 ( 0.000 -0.448 -0.536) 0.699 28.395 ( 0.000 2.829 3.080) 4.183 28.456 ( 0.000 2.259 1.200) 2.558 28.472 ( 0.000 0.996 2.697) 2.875 28.500 ( 0.000 3.835 7.187) 8.146 28.524 ( 0.000 -1.063 -1.150) 1.566 28.681 ( 0.000 6.054 -0.683) 6.092 28.707 ( 0.000 8.615 3.608) 9.340 28.958 ( 0.000 -0.649 -9.072) 9.095 29.280 ( 0.000 -0.924 2.804) 2.952 29.346 ( 0.000 -0.154 0.030) 0.157 29.585 ( 0.000 4.240 0.428) 4.261 29.878 ( 0.000 3.181 -13.559) 13.927 29.974 ( 0.000 0.966 -0.055) 0.967 29.997 ( 0.000 0.768 -0.745) 1.070 30.406 ( 0.000 -3.177 6.146) 6.919 30.590 ( 0.000 -5.467 -2.375) 5.961 30.652 ( 0.000 -8.963 11.485) 14.568 31.030 ( 0.000 -11.521 -7.609) 13.806 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.154 7.506 -8.035) 11.056 1.993 ( -3.542 8.129 -8.074) 11.993 2.246 ( 0.636 1.613 5.846) 6.098 2.381 ( -3.832 1.348 1.215) 4.240 2.427 ( 0.558 3.976 3.903) 5.600 2.470 ( -1.767 1.085 6.341) 6.672 2.693 ( 3.809 -4.459 9.266) 10.966 2.805 ( -0.537 0.099 3.150) 3.197 2.888 ( 7.045 0.429 7.930) 10.616 2.968 ( 2.302 -1.642 -0.869) 2.958 3.026 ( -3.526 -4.970 4.399) 7.516 3.228 ( -2.587 -6.904 -10.032) 12.450 3.251 ( 2.473 0.119 -5.482) 6.015 3.443 ( -7.364 5.763 -5.534) 10.865 3.671 ( 4.659 -2.202 1.572) 5.388 3.748 ( -1.636 7.365 0.299) 7.551 3.805 ( -1.119 4.369 -1.144) 4.653 3.880 ( 1.702 0.429 -2.653) 3.181 3.931 ( -1.073 -1.984 0.844) 2.408 4.000 ( 0.170 -1.424 0.894) 1.690 4.130 ( 6.412 2.796 -3.698) 7.912 4.186 ( 2.784 3.647 -8.326) 9.507 4.435 ( -2.805 -2.913 4.628) 6.146 4.509 ( -4.457 -0.817 1.484) 4.768 4.798 ( 1.279 6.334 1.814) 6.712 4.845 ( -0.680 7.275 -0.586) 7.330 5.276 ( -0.166 -1.313 4.452) 4.644 5.358 ( -3.310 -1.310 0.316) 3.574 5.427 ( 3.211 -1.286 4.073) 5.343 5.487 ( 1.164 -1.305 1.673) 2.421 5.573 ( 0.656 0.862 -0.354) 1.140 5.633 ( -1.085 5.054 -3.147) 6.052 5.675 ( 1.789 -0.852 -0.780) 2.130 5.757 ( -0.624 -2.211 -5.729) 6.173 5.872 ( 0.025 -1.645 0.958) 1.904 5.916 ( -2.228 -0.327 -2.307) 3.224 6.153 ( 3.903 1.096 0.284) 4.064 6.249 ( 7.175 -0.128 -4.075) 8.252 6.392 ( -2.996 1.704 6.067) 6.977 6.612 ( -5.911 -0.222 -4.340) 7.336 6.697 ( -0.149 -1.221 -0.140) 1.238 6.768 ( -2.329 -1.165 -2.988) 3.963 6.986 ( 3.870 -3.690 4.748) 7.151 7.025 ( 2.415 -2.377 2.973) 4.507 7.267 ( 0.260 0.081 6.068) 6.074 7.355 ( -3.402 1.486 1.127) 3.880 7.375 ( -4.948 -1.422 0.390) 5.163 7.391 ( -4.087 0.686 0.537) 4.179 7.742 ( 5.046 -2.153 5.412) 7.707 7.852 ( 2.830 -3.762 3.233) 5.711 7.931 ( -0.924 -1.981 3.574) 4.190 7.963 ( -2.981 -3.073 0.103) 4.282 8.086 ( 2.153 9.883 1.002) 10.165 8.128 ( 0.102 7.755 -0.705) 7.787 8.539 ( 1.249 6.764 3.648) 7.786 8.618 ( -2.374 2.257 2.532) 4.140 8.847 ( 4.114 2.833 4.043) 6.426 9.018 ( -4.087 -1.512 -0.669) 4.409 9.092 ( -3.043 2.945 -1.851) 4.622 9.114 ( -0.236 -2.224 -4.691) 5.197 9.276 ( 3.629 0.123 -5.961) 6.980 9.350 ( 3.373 -0.002 0.981) 3.513 9.453 ( -2.675 -3.259 -14.782) 15.372 9.498 ( -1.447 -1.887 -6.164) 6.607 10.414 ( 0.437 2.075 0.619) 2.209 10.484 ( -2.408 0.444 -3.425) 4.210 10.718 ( 1.492 -1.803 -0.265) 2.355 10.759 ( 0.441 -2.904 -2.156) 3.644 11.590 ( 4.709 -8.518 0.751) 9.762 11.708 ( 9.609 -10.360 -4.898) 14.955 11.961 ( -11.467 -5.512 5.951) 14.046 12.117 ( -3.414 -1.826 1.907) 4.316 12.137 ( -0.273 -1.103 -0.011) 1.136 12.213 ( -3.098 -5.532 -4.797) 7.951 12.302 ( 0.449 6.497 0.339) 6.522 12.355 ( -6.817 6.798 -2.835) 10.036 12.586 ( 8.903 6.477 0.700) 11.032 12.645 ( 5.238 3.347 -2.353) 6.647 12.871 ( 0.183 -4.550 -0.283) 4.563 12.908 ( 0.133 -5.103 -1.821) 5.419 13.828 ( 0.225 5.048 -3.554) 6.178 13.848 ( -0.302 4.654 -4.058) 6.182 14.268 ( -0.697 1.010 2.926) 3.173 14.330 ( -2.646 0.357 1.326) 2.982 14.364 ( -0.523 -0.953 0.440) 1.173 14.412 ( -3.373 1.339 0.154) 3.632 14.625 ( 1.859 -4.360 2.214) 5.232 14.655 ( 0.300 -5.952 1.234) 6.086 14.976 ( 5.345 2.886 9.670) 11.420 15.151 ( -2.788 2.590 8.227) 9.064 15.237 ( 3.464 0.711 1.971) 4.049 15.344 ( -1.700 -2.988 -2.114) 4.035 15.475 ( 3.632 -2.009 4.316) 5.988 15.599 ( 2.099 -3.221 -2.743) 4.723 15.670 ( 3.285 -3.721 -1.914) 5.320 15.861 ( -4.148 2.205 -3.521) 5.871 15.964 ( -0.499 20.827 -1.115) 20.862 16.175 ( -7.727 11.248 -12.603) 18.576 17.365 ( 3.601 -6.515 1.835) 7.667 17.507 ( -2.577 -9.847 -4.051) 10.956 18.111 ( 3.772 0.329 -1.264) 3.991 18.155 ( 1.276 0.700 -0.925) 1.725 18.235 ( -2.120 0.113 -5.256) 5.668 18.282 ( -1.169 -0.964 -6.020) 6.208 24.566 ( 2.434 0.418 0.718) 2.572 24.614 ( 0.727 -0.300 -0.887) 1.185 24.737 ( -1.133 -1.355 -2.754) 3.271 24.761 ( -2.155 -1.811 -4.816) 5.578 26.554 ( 0.535 -0.260 1.869) 1.962 26.579 ( -0.462 -0.083 1.002) 1.107 26.663 ( 0.867 -1.174 0.956) 1.745 26.706 ( -0.884 -2.192 -0.897) 2.528 28.201 ( 3.568 1.474 4.789) 6.151 28.300 ( 1.015 0.440 0.058) 1.108 28.399 ( 0.033 2.725 2.949) 4.015 28.428 ( -2.221 -0.837 2.743) 3.627 28.451 ( -1.532 1.348 2.772) 3.442 28.472 ( -1.611 3.897 3.821) 5.690 28.553 ( 1.288 1.881 0.036) 2.280 28.631 ( -3.336 5.927 -0.159) 6.803 28.762 ( 4.272 6.466 2.580) 8.168 28.931 ( -3.048 1.214 -5.714) 6.589 29.290 ( 1.004 -1.579 2.276) 2.946 29.331 ( -1.099 -1.065 0.701) 1.683 29.643 ( 5.325 4.428 -2.978) 7.538 29.841 ( -3.740 3.233 -11.886) 12.873 29.979 ( 0.514 1.048 -0.367) 1.224 29.999 ( -0.028 1.149 -1.233) 1.686 30.404 ( 0.065 -3.315 5.894) 6.763 30.489 ( -5.428 -5.208 4.278) 8.654 30.776 ( 7.888 -9.223 3.580) 12.653 30.999 ( -3.350 -11.232 -5.591) 12.986 ======================= Grid point 147 (54/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -2.582 7.019 -6.811) 10.116 1.933 ( 2.582 7.019 -6.811) 10.116 2.286 ( -4.046 1.620 5.575) 7.077 2.286 ( 4.046 1.620 5.575) 7.077 2.455 ( -1.308 4.135 4.177) 6.021 2.455 ( 1.308 4.135 4.177) 6.021 2.761 ( -3.254 -0.317 6.347) 7.139 2.761 ( 3.254 -0.317 6.347) 7.139 2.961 ( -2.316 -5.759 5.924) 8.580 2.961 ( 2.316 -5.759 5.924) 8.580 3.118 ( -9.388 -3.379 -8.024) 12.804 3.118 ( 9.388 -3.379 -8.024) 12.804 3.315 ( -4.894 2.640 -5.011) 7.485 3.315 ( 4.894 2.640 -5.011) 7.485 3.736 ( -0.869 6.498 -1.704) 6.774 3.736 ( 0.869 6.498 -1.704) 6.774 3.825 ( -4.295 -2.006 -1.950) 5.126 3.825 ( 4.295 -2.006 -1.950) 5.126 3.974 ( -2.759 -0.495 3.272) 4.308 3.974 ( 2.759 -0.495 3.272) 4.308 4.219 ( -1.133 1.118 -2.637) 3.080 4.219 ( 1.133 1.118 -2.637) 3.080 4.421 ( -2.968 -0.332 0.316) 3.003 4.421 ( 2.968 -0.332 0.316) 3.003 4.825 ( -1.431 6.627 0.853) 6.833 4.825 ( 1.431 6.627 0.853) 6.833 5.301 ( -2.622 -1.881 1.739) 3.665 5.301 ( 2.622 -1.881 1.739) 3.665 5.476 ( -1.899 -0.388 3.226) 3.764 5.476 ( 1.899 -0.388 3.226) 3.764 5.601 ( -2.150 2.375 -1.749) 3.650 5.601 ( 2.150 2.375 -1.749) 3.650 5.724 ( -2.771 0.230 -4.632) 5.403 5.724 ( 2.771 0.230 -4.632) 5.403 5.881 ( -1.181 -1.601 -0.244) 2.004 5.881 ( 1.181 -1.601 -0.244) 2.004 6.269 ( -7.359 0.674 3.650) 8.242 6.269 ( 7.359 0.674 3.650) 8.242 6.436 ( -10.422 -1.408 -2.635) 10.842 6.436 ( 10.422 -1.408 -2.635) 10.842 6.732 ( -2.062 -0.684 -2.378) 3.221 6.732 ( 2.062 -0.684 -2.378) 3.221 7.045 ( -1.293 -3.745 4.575) 6.052 7.045 ( 1.293 -3.745 4.575) 6.052 7.298 ( -3.046 -0.341 3.405) 4.582 7.298 ( 3.046 -0.341 3.405) 4.582 7.321 ( -1.493 1.605 0.891) 2.366 7.321 ( 1.493 1.605 0.891) 2.366 7.852 ( -5.401 -1.989 4.218) 7.135 7.852 ( 5.401 -1.989 4.218) 7.135 7.912 ( -0.557 -3.393 0.660) 3.501 7.912 ( 0.557 -3.393 0.660) 3.501 8.120 ( -1.215 8.839 0.944) 8.972 8.120 ( 1.215 8.839 0.944) 8.972 8.573 ( -2.321 4.896 2.618) 6.018 8.573 ( 2.321 4.896 2.618) 6.018 8.933 ( -4.846 0.466 2.447) 5.449 8.933 ( 4.846 0.466 2.447) 5.449 9.087 ( -1.962 1.913 -3.290) 4.282 9.087 ( 1.962 1.913 -3.290) 4.282 9.354 ( -4.278 -3.095 -11.325) 12.496 9.354 ( 4.278 -3.095 -11.325) 12.496 9.448 ( -3.393 -0.546 -3.221) 4.710 9.448 ( 3.393 -0.546 -3.221) 4.710 10.438 ( -2.124 1.461 -0.674) 2.665 10.438 ( 2.124 1.461 -0.674) 2.665 10.749 ( -1.410 -2.207 -1.310) 2.929 10.749 ( 1.410 -2.207 -1.310) 2.929 11.740 ( -10.946 -7.130 4.673) 13.874 11.740 ( 10.946 -7.130 4.673) 13.874 11.924 ( -12.864 -8.503 -2.876) 15.686 11.924 ( 12.864 -8.503 -2.876) 15.686 12.188 ( -3.797 1.231 -3.673) 5.424 12.188 ( 3.797 1.231 -3.673) 5.424 12.289 ( -1.181 2.302 -0.687) 2.677 12.289 ( 1.181 2.302 -0.687) 2.677 12.694 ( -1.379 5.835 -0.855) 6.057 12.694 ( 1.379 5.835 -0.855) 6.057 12.887 ( -1.644 -3.713 -0.483) 4.090 12.887 ( 1.644 -3.713 -0.483) 4.090 13.838 ( -0.700 4.764 -3.124) 5.740 13.838 ( 0.700 4.764 -3.124) 5.740 14.279 ( -2.060 -0.174 1.719) 2.689 14.279 ( 2.060 -0.174 1.719) 2.689 14.367 ( -1.186 0.063 0.104) 1.192 14.367 ( 1.186 0.063 0.104) 1.192 14.653 ( -0.820 -4.558 1.438) 4.850 14.653 ( 0.820 -4.558 1.438) 4.850 15.076 ( -5.059 2.919 9.087) 10.802 15.076 ( 5.059 2.919 9.087) 10.802 15.300 ( -2.989 -1.439 0.211) 3.324 15.300 ( 2.989 -1.439 0.211) 3.324 15.570 ( -5.403 -3.011 1.295) 6.320 15.570 ( 5.403 -3.011 1.295) 6.320 15.761 ( -6.463 -0.234 -3.590) 7.397 15.761 ( 6.463 -0.234 -3.590) 7.397 16.023 ( -7.097 16.380 -5.853) 18.787 16.023 ( 7.097 16.380 -5.853) 18.787 17.442 ( -4.207 -8.437 -1.829) 9.603 17.442 ( 4.207 -8.437 -1.829) 9.603 18.164 ( -1.576 1.048 -2.982) 3.532 18.164 ( 1.576 1.048 -2.982) 3.532 18.237 ( -2.947 -0.903 -3.925) 4.990 18.237 ( 2.947 -0.903 -3.925) 4.990 24.611 ( -1.646 0.071 -0.146) 1.654 24.611 ( 1.646 0.071 -0.146) 1.654 24.727 ( -0.718 -1.635 -3.877) 4.269 24.727 ( 0.718 -1.635 -3.877) 4.269 26.567 ( -0.775 0.010 1.706) 1.874 26.567 ( 0.775 0.010 1.706) 1.874 26.684 ( -1.284 -1.805 -0.205) 2.225 26.684 ( 1.284 -1.805 -0.205) 2.225 28.278 ( -3.858 1.898 3.101) 5.301 28.278 ( 3.858 1.898 3.101) 5.301 28.403 ( -1.687 -0.829 1.633) 2.490 28.403 ( 1.687 -0.829 1.633) 2.490 28.443 ( -1.425 3.109 4.004) 5.266 28.443 ( 1.425 3.109 4.004) 5.266 28.579 ( -2.013 4.460 -0.504) 4.920 28.579 ( 2.013 4.460 -0.504) 4.920 28.852 ( -5.069 3.868 -0.190) 6.379 28.852 ( 5.069 3.868 -0.190) 6.379 29.311 ( -1.174 -1.883 1.302) 2.573 29.311 ( 1.174 -1.883 1.302) 2.573 29.751 ( -5.761 3.966 -8.181) 10.763 29.751 ( 5.761 3.966 -8.181) 10.763 29.992 ( -0.717 1.211 -1.036) 1.747 29.992 ( 0.717 1.211 -1.036) 1.747 30.420 ( -2.052 -3.975 5.425) 7.032 30.420 ( 2.052 -3.975 5.425) 7.032 30.909 ( -6.247 -10.422 -1.090) 12.199 30.909 ( 6.247 -10.422 -1.090) 12.199 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 7.332 3.513) 8.130 2.188 ( 0.000 2.538 10.920) 11.211 2.272 ( 0.000 2.953 3.630) 4.679 2.432 ( 0.000 -5.707 2.295) 6.151 2.453 ( 0.000 -0.723 9.011) 9.040 2.517 ( 0.000 4.532 0.011) 4.532 2.585 ( 0.000 3.729 -6.723) 7.688 2.805 ( 0.000 2.911 5.344) 6.085 2.873 ( 0.000 -3.126 5.488) 6.316 2.897 ( 0.000 0.359 6.546) 6.556 3.041 ( 0.000 0.069 3.691) 3.692 3.121 ( 0.000 -4.100 -8.715) 9.631 3.250 ( 0.000 3.045 -8.592) 9.116 3.480 ( 0.000 -4.996 -6.988) 8.590 3.657 ( 0.000 0.303 -3.811) 3.823 3.743 ( 0.000 -5.275 6.346) 8.252 3.868 ( 0.000 2.925 2.398) 3.782 3.913 ( 0.000 -1.946 5.788) 6.106 3.998 ( 0.000 0.805 -3.046) 3.150 4.015 ( 0.000 11.966 -2.737) 12.275 4.183 ( 0.000 5.156 -5.612) 7.621 4.274 ( 0.000 4.643 -11.099) 12.032 4.372 ( 0.000 -3.727 0.174) 3.731 4.504 ( 0.000 -3.294 -4.385) 5.485 4.944 ( 0.000 8.830 2.083) 9.072 5.048 ( 0.000 9.953 -1.484) 10.063 5.285 ( 0.000 -1.409 4.745) 4.950 5.315 ( 0.000 -4.892 1.572) 5.138 5.374 ( 0.000 -1.011 5.182) 5.280 5.451 ( 0.000 3.438 -1.706) 3.838 5.561 ( 0.000 -0.906 -0.912) 1.286 5.614 ( 0.000 -6.443 -2.466) 6.899 5.671 ( 0.000 -1.100 2.791) 3.000 5.714 ( 0.000 -0.526 -1.870) 1.943 5.871 ( 0.000 2.464 -2.232) 3.325 5.953 ( 0.000 0.059 -7.099) 7.100 6.132 ( 0.000 -0.169 -1.201) 1.213 6.176 ( 0.000 -1.082 -3.868) 4.017 6.501 ( 0.000 5.686 6.448) 8.597 6.641 ( 0.000 1.440 0.379) 1.489 6.740 ( 0.000 -0.559 -1.405) 1.512 6.776 ( 0.000 -1.616 -1.514) 2.215 6.826 ( 0.000 -5.393 4.526) 7.041 6.917 ( 0.000 -4.989 1.699) 5.270 7.290 ( 0.000 1.703 2.650) 3.150 7.369 ( 0.000 -2.292 -0.522) 2.350 7.435 ( 0.000 1.875 1.937) 2.695 7.467 ( 0.000 0.868 -1.183) 1.467 7.662 ( 0.000 -0.080 7.962) 7.962 7.740 ( 0.000 -2.978 5.728) 6.456 7.896 ( 0.000 -1.952 6.596) 6.879 7.919 ( 0.000 -3.048 4.900) 5.771 8.304 ( 0.000 9.323 0.079) 9.323 8.313 ( 0.000 12.634 -0.520) 12.645 8.624 ( 0.000 -2.958 3.400) 4.507 8.664 ( 0.000 2.886 -3.511) 4.544 8.905 ( 0.000 4.682 -0.165) 4.684 9.008 ( 0.000 -0.744 3.899) 3.970 9.028 ( 0.000 -2.332 -6.349) 6.764 9.191 ( 0.000 -2.078 -0.553) 2.150 9.257 ( 0.000 2.904 -2.267) 3.684 9.346 ( 0.000 1.870 1.183) 2.212 9.389 ( 0.000 -3.989 -13.424) 14.004 9.448 ( 0.000 -3.011 -5.662) 6.413 10.477 ( 0.000 3.856 0.044) 3.856 10.518 ( 0.000 1.193 -2.766) 3.013 10.654 ( 0.000 -3.304 -0.678) 3.372 10.662 ( 0.000 -4.520 -0.629) 4.564 11.376 ( 0.000 -6.150 -2.245) 6.547 11.426 ( 0.000 -7.321 -4.345) 8.513 11.966 ( 0.000 -3.130 -0.696) 3.206 12.012 ( 0.000 -4.028 -1.169) 4.195 12.172 ( 0.000 -1.577 5.362) 5.589 12.305 ( 0.000 -4.627 -2.199) 5.123 12.377 ( 0.000 3.190 -0.265) 3.201 12.378 ( 0.000 -1.833 -0.567) 1.918 12.657 ( 0.000 4.056 -1.774) 4.427 12.670 ( 0.000 4.777 -3.511) 5.928 12.812 ( 0.000 1.275 -1.437) 1.921 12.827 ( 0.000 1.346 -2.455) 2.799 13.903 ( 0.000 2.054 0.153) 2.059 13.924 ( 0.000 1.789 -0.104) 1.792 14.310 ( 0.000 -2.681 3.160) 4.144 14.316 ( 0.000 0.099 1.507) 1.510 14.420 ( 0.000 3.795 2.550) 4.572 14.481 ( 0.000 1.264 3.595) 3.811 14.540 ( 0.000 -2.780 1.164) 3.014 14.561 ( 0.000 -0.601 2.439) 2.512 14.999 ( 0.000 5.965 4.790) 7.650 15.227 ( 0.000 1.590 3.750) 4.073 15.240 ( 0.000 2.205 1.780) 2.834 15.319 ( 0.000 0.638 0.639) 0.903 15.368 ( 0.000 -7.399 5.645) 9.307 15.497 ( 0.000 -5.631 -1.708) 5.885 15.589 ( 0.000 2.559 -5.267) 5.855 15.854 ( 0.000 -5.949 -7.333) 9.442 16.432 ( 0.000 21.852 -1.776) 21.924 16.556 ( 0.000 16.744 -9.974) 19.490 17.166 ( 0.000 -9.989 0.550) 10.004 17.257 ( 0.000 -15.621 -2.776) 15.866 18.070 ( 0.000 0.318 -0.516) 0.606 18.129 ( 0.000 -2.124 -1.449) 2.571 18.265 ( 0.000 0.782 -5.526) 5.581 18.284 ( 0.000 0.042 -5.997) 5.997 24.559 ( 0.000 1.068 0.331) 1.118 24.596 ( 0.000 -0.539 -0.993) 1.129 24.720 ( 0.000 -1.284 -2.223) 2.567 24.738 ( 0.000 -2.150 -3.740) 4.314 26.544 ( 0.000 0.194 1.257) 1.272 26.575 ( 0.000 -0.577 0.058) 0.579 26.638 ( 0.000 -0.736 1.173) 1.385 26.661 ( 0.000 -2.332 -0.008) 2.332 28.202 ( 0.000 2.036 4.204) 4.671 28.271 ( 0.000 -1.038 0.926) 1.390 28.450 ( 0.000 2.350 1.784) 2.950 28.509 ( 0.000 -0.436 -1.378) 1.445 28.520 ( 0.000 3.135 3.323) 4.568 28.528 ( 0.000 3.264 3.403) 4.715 28.601 ( 0.000 5.476 3.801) 6.666 28.764 ( 0.000 0.464 -2.449) 2.492 28.895 ( 0.000 8.566 1.580) 8.710 28.969 ( 0.000 2.286 -2.428) 3.335 29.259 ( 0.000 -0.738 2.502) 2.608 29.326 ( 0.000 -2.044 -0.525) 2.110 29.714 ( 0.000 8.158 2.362) 8.493 29.952 ( 0.000 1.439 -4.072) 4.319 30.024 ( 0.000 1.991 -0.422) 2.036 30.027 ( 0.000 6.196 -5.452) 8.253 30.307 ( 0.000 -7.752 4.424) 8.926 30.440 ( 0.000 -8.658 -2.522) 9.018 30.451 ( 0.000 -6.655 6.041) 8.988 30.732 ( 0.000 -15.681 -6.633) 17.026 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.241 7.013 4.771) 8.486 2.119 ( -4.163 5.082 8.510) 10.751 2.311 ( 1.461 0.759 2.370) 2.886 2.385 ( -3.565 -3.234 1.749) 5.121 2.500 ( 3.552 1.705 4.795) 6.206 2.546 ( 2.334 6.601 -0.450) 7.016 2.604 ( 3.179 -1.729 -0.015) 3.619 2.810 ( -0.820 0.544 4.613) 4.717 2.856 ( -1.807 -3.913 9.193) 10.153 2.945 ( 3.665 0.879 5.869) 6.975 2.983 ( -3.445 0.763 1.589) 3.870 3.106 ( -1.731 -3.844 -7.282) 8.414 3.294 ( 4.350 4.029 -7.646) 9.676 3.516 ( -1.455 0.484 -10.149) 10.264 3.591 ( 0.423 -3.044 4.159) 5.171 3.783 ( 0.704 -6.934 2.035) 7.261 3.851 ( -0.723 1.603 1.302) 2.188 3.924 ( -0.647 2.403 1.430) 2.870 3.967 ( -0.915 0.605 -2.430) 2.666 4.017 ( -0.349 7.494 -3.237) 8.171 4.201 ( 1.620 4.698 -4.114) 6.452 4.282 ( -0.256 3.629 -9.399) 10.078 4.359 ( 0.193 -2.941 -0.421) 2.977 4.479 ( -2.638 -2.630 -4.060) 5.510 4.958 ( 1.396 8.549 1.745) 8.836 5.028 ( -1.873 9.253 -0.262) 9.445 5.236 ( -1.712 -2.470 3.413) 4.548 5.292 ( -2.901 -4.507 0.663) 5.401 5.436 ( 4.662 1.309 4.468) 6.589 5.509 ( 3.331 2.771 -0.740) 4.396 5.583 ( 1.381 0.689 0.095) 1.547 5.628 ( 0.326 -2.784 -0.811) 2.918 5.676 ( 2.970 -2.418 -0.191) 3.834 5.718 ( 0.495 -1.725 -3.868) 4.264 5.855 ( -1.698 0.944 -1.963) 2.762 5.908 ( -4.021 -0.486 -5.286) 6.659 6.172 ( 4.558 0.890 0.085) 4.645 6.238 ( 6.032 -1.232 -2.949) 6.826 6.446 ( -6.104 3.510 5.786) 9.114 6.597 ( -10.175 -1.722 -1.733) 10.464 6.679 ( 2.683 0.938 0.975) 3.005 6.772 ( -1.719 1.293 -3.232) 3.882 6.873 ( 3.641 -6.360 5.807) 9.350 6.934 ( 1.046 -5.917 3.219) 6.817 7.288 ( 0.283 1.522 3.001) 3.377 7.335 ( -2.358 -1.024 1.101) 2.797 7.397 ( -3.546 1.630 1.373) 4.137 7.420 ( -4.426 0.939 -0.339) 4.537 7.712 ( 4.827 -0.401 6.338) 7.977 7.779 ( 3.453 -3.107 5.130) 6.920 7.884 ( -1.375 -2.052 5.826) 6.328 7.897 ( -2.733 -2.796 4.351) 5.850 8.314 ( 1.060 9.915 0.394) 9.979 8.325 ( 0.882 11.932 0.732) 11.987 8.625 ( 0.345 -2.226 2.127) 3.098 8.658 ( -0.732 1.810 -2.993) 3.574 8.930 ( 2.228 4.665 0.048) 5.170 8.999 ( -1.042 1.380 2.343) 2.912 9.061 ( 3.198 -2.319 -5.619) 6.869 9.155 ( -1.919 1.760 0.422) 2.638 9.282 ( 1.073 0.097 -5.154) 5.266 9.340 ( -1.292 -0.312 -4.247) 4.450 9.388 ( 0.381 -2.656 -8.164) 8.593 9.438 ( -0.985 -3.469 -4.069) 5.437 10.476 ( 0.155 3.785 -0.006) 3.788 10.510 ( -0.863 2.365 -2.146) 3.308 10.660 ( 1.066 -3.807 -0.204) 3.959 10.680 ( 0.914 -4.467 -1.387) 4.766 11.435 ( 6.514 -5.250 -0.669) 8.393 11.511 ( 8.884 -7.992 -4.260) 12.687 11.873 ( -12.864 -2.140 2.298) 13.242 12.038 ( -15.579 -7.938 -3.282) 17.790 12.085 ( 6.056 -2.261 -0.917) 6.529 12.096 ( 2.523 -2.460 -0.985) 3.659 12.422 ( -3.421 5.235 -0.150) 6.255 12.479 ( -9.772 4.185 -3.328) 11.139 12.644 ( 9.245 -1.113 -0.033) 9.312 12.685 ( 6.905 -2.101 -2.014) 7.493 12.838 ( 0.896 2.659 -0.274) 2.819 12.879 ( 1.418 2.530 -2.132) 3.600 13.918 ( 2.091 3.922 1.326) 4.638 13.959 ( 2.368 4.511 -0.338) 5.106 14.260 ( -3.413 -3.492 4.558) 6.680 14.302 ( -2.011 -2.548 2.229) 3.938 14.381 ( -2.777 4.156 1.428) 5.198 14.441 ( -4.226 2.373 0.603) 4.884 14.555 ( 1.869 -3.267 2.485) 4.510 14.574 ( 0.889 -1.682 2.069) 2.810 15.064 ( 5.634 5.694 4.596) 9.235 15.220 ( -0.893 3.584 4.167) 5.568 15.273 ( 2.019 2.392 3.282) 4.535 15.335 ( 1.427 0.943 -0.269) 1.731 15.421 ( 4.157 -4.414 3.409) 6.956 15.476 ( 1.060 -6.689 -1.167) 6.873 15.594 ( -0.358 -1.644 -4.135) 4.465 15.802 ( -5.629 -6.447 -6.969) 11.038 16.420 ( -0.364 22.142 -2.316) 22.266 16.519 ( -3.597 18.792 -8.230) 20.828 17.174 ( 0.977 -11.834 -0.520) 11.885 17.242 ( -1.618 -15.222 -3.038) 15.606 18.114 ( 4.173 0.158 -1.639) 4.486 18.148 ( 1.981 -1.217 -1.842) 2.966 18.245 ( -1.990 0.778 -4.658) 5.125 18.267 ( -1.991 -0.428 -5.534) 5.897 24.580 ( 2.064 0.901 -0.100) 2.254 24.608 ( 1.200 -0.283 -0.995) 1.584 24.705 ( -1.499 -1.493 -2.321) 3.140 24.717 ( -2.038 -2.099 -3.405) 4.489 26.554 ( 0.944 0.389 1.247) 1.612 26.579 ( 0.194 -0.012 0.347) 0.398 26.635 ( -0.159 -1.369 0.911) 1.652 26.655 ( -0.696 -2.343 0.024) 2.444 28.239 ( 3.851 2.088 4.013) 5.941 28.300 ( 2.918 -0.547 1.120) 3.173 28.435 ( -2.217 1.161 2.051) 3.236 28.442 ( -4.412 1.343 2.125) 5.078 28.519 ( 0.267 4.003 2.845) 4.918 28.565 ( 0.608 3.418 0.223) 3.479 28.593 ( 0.322 2.965 2.959) 4.201 28.711 ( -4.267 1.009 -1.968) 4.806 28.924 ( 2.447 8.167 2.008) 8.759 28.988 ( 1.037 4.375 -1.413) 4.713 29.243 ( -1.141 -2.646 2.294) 3.683 29.293 ( -2.622 -2.857 0.065) 3.878 29.772 ( 5.189 7.873 -0.202) 9.431 29.931 ( -2.209 4.333 -5.334) 7.219 30.010 ( 0.017 1.828 -0.511) 1.898 30.045 ( -0.022 3.866 -3.497) 5.213 30.308 ( 0.445 -6.546 4.252) 7.818 30.373 ( -3.045 -3.688 2.193) 5.262 30.539 ( 5.253 -12.172 0.699) 13.276 30.706 ( -2.779 -15.586 -5.247) 16.679 ======================= Grid point 152 (57/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -1.502 6.554 6.676) 9.476 2.067 ( 1.502 6.554 6.676) 9.476 2.334 ( -1.732 -0.790 1.224) 2.263 2.334 ( 1.732 -0.790 1.224) 2.263 2.550 ( -1.605 5.171 -2.011) 5.776 2.550 ( 1.605 5.171 -2.011) 5.776 2.720 ( -7.390 -4.573 7.776) 11.662 2.720 ( 7.390 -4.573 7.776) 11.662 2.881 ( -3.845 1.180 7.933) 8.895 2.881 ( 3.845 1.180 7.933) 8.895 3.053 ( -4.229 -2.529 -3.533) 6.063 3.053 ( 4.229 -2.529 -3.533) 6.063 3.400 ( -6.961 5.318 -5.408) 10.294 3.400 ( 6.961 5.318 -5.408) 10.294 3.705 ( -7.302 -6.883 0.328) 10.040 3.705 ( 7.302 -6.883 0.328) 10.040 3.880 ( -2.862 3.830 -2.078) 5.213 3.880 ( 2.862 3.830 -2.078) 5.213 3.993 ( -2.172 1.087 -1.140) 2.683 3.993 ( 2.172 1.087 -1.140) 2.683 4.242 ( -2.838 2.815 -5.203) 6.561 4.242 ( 2.838 2.815 -5.203) 6.561 4.412 ( -4.217 -1.308 -3.063) 5.374 4.412 ( 4.217 -1.308 -3.063) 5.374 4.990 ( -2.010 8.467 1.029) 8.763 4.990 ( 2.010 8.467 1.029) 8.763 5.242 ( -1.999 -3.586 1.512) 4.375 5.242 ( 1.999 -3.586 1.512) 4.375 5.506 ( -2.830 2.680 2.485) 4.622 5.506 ( 2.830 2.680 2.485) 4.622 5.614 ( -2.049 -1.053 -0.795) 2.437 5.614 ( 2.049 -1.053 -0.795) 2.437 5.738 ( -0.420 1.271 -4.373) 4.573 5.738 ( 0.420 1.271 -4.373) 4.573 5.837 ( -1.972 -2.576 -2.160) 3.897 5.837 ( 1.972 -2.576 -2.160) 3.897 6.295 ( -7.933 1.924 3.011) 8.701 6.295 ( 7.933 1.924 3.011) 8.701 6.397 ( -9.980 -2.277 -1.265) 10.314 6.397 ( 9.980 -2.277 -1.265) 10.314 6.733 ( -2.570 1.336 -1.299) 3.174 6.733 ( 2.570 1.336 -1.299) 3.174 6.929 ( -1.895 -6.734 5.247) 8.744 6.929 ( 1.895 -6.734 5.247) 8.744 7.313 ( -1.665 1.481 1.648) 2.772 7.313 ( 1.665 1.481 1.648) 2.772 7.348 ( -1.211 0.618 1.715) 2.189 7.348 ( 1.211 0.618 1.715) 2.189 7.813 ( -5.167 -1.383 5.231) 7.482 7.813 ( 5.167 -1.383 5.231) 7.482 7.845 ( -2.595 -2.833 4.105) 5.623 7.845 ( 2.595 -2.833 4.105) 5.623 8.331 ( -0.436 10.896 1.491) 11.006 8.331 ( 0.436 10.896 1.491) 11.006 8.640 ( -1.065 -0.410 -0.899) 1.453 8.640 ( 1.065 -0.410 -0.899) 1.453 8.971 ( -1.920 3.906 1.005) 4.467 8.971 ( 1.920 3.906 1.005) 4.467 9.122 ( -2.544 0.505 -2.838) 3.845 9.122 ( 2.544 0.505 -2.838) 3.845 9.301 ( -1.778 -1.023 -8.094) 8.350 9.301 ( 1.778 -1.023 -8.094) 8.350 9.412 ( -1.720 -2.967 -2.892) 4.486 9.412 ( 1.720 -2.967 -2.892) 4.486 10.489 ( -1.169 3.587 -0.782) 3.853 10.489 ( 1.169 3.587 -0.782) 3.853 10.681 ( -0.796 -4.292 -0.940) 4.466 10.681 ( 0.796 -4.292 -0.940) 4.466 11.613 ( -11.954 -3.808 1.847) 12.681 11.613 ( 11.954 -3.808 1.847) 12.681 11.742 ( -14.192 -8.452 -3.855) 16.962 11.742 ( 14.192 -8.452 -3.855) 16.962 12.206 ( -2.308 1.483 -3.816) 4.700 12.206 ( 2.308 1.483 -3.816) 4.700 12.307 ( -1.977 -1.276 -1.022) 2.565 12.307 ( 1.977 -1.276 -1.022) 2.565 12.792 ( -3.448 2.918 -0.504) 4.545 12.792 ( 3.448 2.918 -0.504) 4.545 12.838 ( -4.368 -0.509 -0.758) 4.462 12.838 ( 4.368 -0.509 -0.758) 4.462 13.966 ( -2.005 7.053 1.308) 7.448 13.966 ( 2.005 7.053 1.308) 7.448 14.246 ( -2.446 -5.050 3.937) 6.855 14.246 ( 2.446 -5.050 3.937) 6.855 14.374 ( -2.121 3.532 -0.115) 4.122 14.374 ( 2.121 3.532 -0.115) 4.122 14.580 ( -0.487 -3.116 2.010) 3.739 14.580 ( 0.487 -3.116 2.010) 3.739 15.166 ( -4.775 5.521 5.042) 8.872 15.166 ( 4.775 5.521 5.042) 8.872 15.318 ( -2.612 1.915 0.259) 3.249 15.318 ( 2.612 1.915 0.259) 3.249 15.491 ( -3.868 -3.629 1.990) 5.665 15.491 ( 3.868 -3.629 1.990) 5.665 15.659 ( -8.689 -7.253 -5.377) 12.530 15.659 ( 8.689 -7.253 -5.377) 12.530 16.447 ( -3.316 21.538 -4.867) 22.328 16.447 ( 3.316 21.538 -4.867) 22.328 17.204 ( -2.140 -14.197 -2.410) 14.559 17.204 ( 2.140 -14.197 -2.410) 14.559 18.184 ( -0.833 0.773 -3.267) 3.459 18.184 ( 0.833 0.773 -3.267) 3.459 18.216 ( -1.769 -0.993 -3.662) 4.187 18.216 ( 1.769 -0.993 -3.662) 4.187 24.618 ( -1.117 0.702 -0.700) 1.494 24.618 ( 1.117 0.702 -0.700) 1.494 24.685 ( -0.434 -2.224 -2.808) 3.608 24.685 ( 0.434 -2.224 -2.808) 3.608 26.573 ( -0.860 0.674 1.039) 1.507 26.573 ( 0.860 0.674 1.039) 1.507 26.640 ( -0.714 -2.284 0.251) 2.406 26.640 ( 0.714 -2.284 0.251) 2.406 28.326 ( -4.154 2.431 3.126) 5.739 28.326 ( 4.154 2.431 3.126) 5.739 28.384 ( -2.523 -0.647 1.868) 3.206 28.384 ( 2.523 -0.647 1.868) 3.206 28.539 ( -1.834 4.921 2.519) 5.824 28.539 ( 1.834 4.921 2.519) 5.824 28.637 ( -3.475 0.948 -0.978) 3.733 28.637 ( 3.475 0.948 -0.978) 3.733 28.974 ( -2.414 7.450 1.370) 7.950 28.974 ( 2.414 7.450 1.370) 7.950 29.249 ( -1.843 -4.319 0.843) 4.771 29.249 ( 1.843 -4.319 0.843) 4.771 29.869 ( -4.617 7.133 -4.023) 9.401 29.869 ( 4.617 7.133 -4.023) 9.401 30.025 ( -1.453 1.635 -1.378) 2.586 30.025 ( 1.453 1.635 -1.378) 2.586 30.330 ( -1.797 -3.484 3.240) 5.086 30.330 ( 1.797 -3.484 3.240) 5.086 30.634 ( -4.771 -14.861 -2.146) 15.755 30.634 ( 4.771 -14.861 -2.146) 15.755 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -3.868 12.263) 12.859 2.176 ( 0.000 3.868 12.263) 12.859 2.328 ( 0.000 -2.726 1.881) 3.312 2.328 ( 0.000 2.726 1.881) 3.312 2.474 ( 0.000 -3.594 8.462) 9.193 2.474 ( 0.000 3.594 8.462) 9.193 2.771 ( 0.000 -6.792 -6.975) 9.736 2.771 ( 0.000 6.792 -6.975) 9.736 2.862 ( 0.000 -1.754 1.858) 2.555 2.862 ( 0.000 1.754 1.858) 2.555 3.071 ( 0.000 -2.364 6.833) 7.230 3.071 ( 0.000 2.364 6.833) 7.230 3.356 ( 0.000 -6.523 -9.925) 11.877 3.356 ( 0.000 6.523 -9.925) 11.877 3.665 ( 0.000 -1.535 -0.360) 1.576 3.665 ( 0.000 1.535 -0.360) 1.576 3.896 ( 0.000 -0.078 4.854) 4.855 3.896 ( 0.000 0.078 4.854) 4.855 4.074 ( 0.000 -5.443 -1.629) 5.682 4.074 ( 0.000 5.443 -1.629) 5.682 4.277 ( 0.000 -4.421 -6.560) 7.911 4.277 ( 0.000 4.421 -6.560) 7.911 4.410 ( 0.000 -5.306 -7.465) 9.159 4.410 ( 0.000 5.306 -7.465) 9.159 5.124 ( 0.000 -6.799 2.363) 7.198 5.124 ( 0.000 6.799 2.363) 7.198 5.242 ( 0.000 -2.172 -0.354) 2.201 5.242 ( 0.000 2.172 -0.354) 2.201 5.447 ( 0.000 -6.860 1.905) 7.120 5.447 ( 0.000 6.860 1.905) 7.120 5.530 ( 0.000 -2.075 -1.681) 2.671 5.530 ( 0.000 2.075 -1.681) 2.671 5.676 ( 0.000 -1.566 1.974) 2.520 5.676 ( 0.000 1.566 1.974) 2.520 5.931 ( 0.000 -2.295 -6.696) 7.078 5.931 ( 0.000 2.295 -6.696) 7.078 6.143 ( 0.000 -1.457 -1.865) 2.366 6.143 ( 0.000 1.457 -1.865) 2.366 6.642 ( 0.000 -7.685 7.154) 10.499 6.642 ( 0.000 7.685 7.154) 10.499 6.697 ( 0.000 -3.383 2.186) 4.028 6.697 ( 0.000 3.383 2.186) 4.028 6.831 ( 0.000 -2.746 -3.394) 4.365 6.831 ( 0.000 2.746 -3.394) 4.365 7.328 ( 0.000 -1.880 0.280) 1.900 7.328 ( 0.000 1.880 0.280) 1.900 7.464 ( 0.000 -0.923 1.031) 1.384 7.464 ( 0.000 0.923 1.031) 1.384 7.688 ( 0.000 -2.121 7.453) 7.749 7.688 ( 0.000 2.121 7.453) 7.749 7.878 ( 0.000 -0.553 7.054) 7.075 7.878 ( 0.000 0.553 7.054) 7.075 8.474 ( 0.000 -4.492 -0.439) 4.514 8.474 ( 0.000 4.492 -0.439) 4.514 8.590 ( 0.000 -6.365 0.167) 6.367 8.590 ( 0.000 6.365 0.167) 6.367 8.981 ( 0.000 -2.631 -4.340) 5.075 8.981 ( 0.000 2.631 -4.340) 5.075 9.091 ( 0.000 -6.479 0.765) 6.524 9.091 ( 0.000 6.479 0.765) 6.524 9.319 ( 0.000 -3.092 -5.945) 6.701 9.319 ( 0.000 3.092 -5.945) 6.701 9.393 ( 0.000 -2.485 -2.536) 3.551 9.393 ( 0.000 2.485 -2.536) 3.551 10.551 ( 0.000 -0.717 0.659) 0.974 10.551 ( 0.000 0.717 0.659) 0.974 10.589 ( 0.000 -0.119 -1.943) 1.947 10.589 ( 0.000 0.119 -1.943) 1.947 11.328 ( 0.000 -1.541 -3.496) 3.821 11.328 ( 0.000 1.541 -3.496) 3.821 11.951 ( 0.000 -1.520 -2.627) 3.035 11.951 ( 0.000 1.520 -2.627) 3.035 12.184 ( 0.000 -3.344 1.800) 3.798 12.184 ( 0.000 3.344 1.800) 3.798 12.404 ( 0.000 -0.658 -0.363) 0.751 12.404 ( 0.000 0.658 -0.363) 0.751 12.677 ( 0.000 -0.600 -2.909) 2.971 12.677 ( 0.000 0.600 -2.909) 2.971 12.870 ( 0.000 -0.363 -2.560) 2.586 12.870 ( 0.000 0.363 -2.560) 2.586 13.929 ( 0.000 -0.734 2.851) 2.944 13.929 ( 0.000 0.734 2.851) 2.944 14.293 ( 0.000 -0.917 0.721) 1.167 14.293 ( 0.000 0.917 0.721) 1.167 14.484 ( 0.000 -1.639 5.706) 5.937 14.484 ( 0.000 1.639 5.706) 5.937 14.538 ( 0.000 -1.453 2.049) 2.512 14.538 ( 0.000 1.453 2.049) 2.512 15.164 ( 0.000 -9.303 -1.517) 9.426 15.164 ( 0.000 9.303 -1.517) 9.426 15.257 ( 0.000 -1.333 5.692) 5.846 15.257 ( 0.000 1.333 5.692) 5.846 15.387 ( 0.000 -4.756 1.501) 4.987 15.387 ( 0.000 4.756 1.501) 4.987 15.702 ( 0.000 -7.546 -7.467) 10.616 15.702 ( 0.000 7.546 -7.467) 10.616 16.811 ( 0.000 -5.115 -5.482) 7.498 16.811 ( 0.000 5.115 -5.482) 7.498 16.965 ( 0.000 -0.044 -1.347) 1.348 16.965 ( 0.000 0.044 -1.347) 1.348 18.088 ( 0.000 -1.475 -1.273) 1.949 18.088 ( 0.000 1.475 -1.273) 1.949 18.280 ( 0.000 -0.445 -5.500) 5.518 18.280 ( 0.000 0.445 -5.500) 5.518 24.581 ( 0.000 -0.917 -0.619) 1.107 24.581 ( 0.000 0.917 -0.619) 1.107 24.709 ( 0.000 -0.417 -2.520) 2.554 24.709 ( 0.000 0.417 -2.520) 2.554 26.558 ( 0.000 -0.966 0.453) 1.067 26.558 ( 0.000 0.966 0.453) 1.067 26.632 ( 0.000 -0.407 0.642) 0.760 26.632 ( 0.000 0.407 0.642) 0.760 28.242 ( 0.000 -1.735 2.697) 3.207 28.242 ( 0.000 1.735 2.697) 3.207 28.489 ( 0.000 -1.420 0.299) 1.451 28.489 ( 0.000 1.420 0.299) 1.451 28.563 ( 0.000 -0.343 3.492) 3.508 28.563 ( 0.000 0.343 3.492) 3.508 28.710 ( 0.000 -4.624 -0.165) 4.627 28.710 ( 0.000 4.624 -0.165) 4.627 29.004 ( 0.000 -0.945 0.283) 0.986 29.004 ( 0.000 0.945 0.283) 0.986 29.272 ( 0.000 -2.316 1.024) 2.532 29.272 ( 0.000 2.316 1.024) 2.532 29.893 ( 0.000 -7.273 3.452) 8.051 29.893 ( 0.000 7.273 3.452) 8.051 30.098 ( 0.000 -5.780 0.253) 5.786 30.098 ( 0.000 5.780 0.253) 5.786 30.241 ( 0.000 -9.808 -3.867) 10.543 30.241 ( 0.000 9.808 -3.867) 10.543 30.470 ( 0.000 -7.671 -3.099) 8.273 30.470 ( 0.000 7.671 -3.099) 8.273 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 1.073 -3.774 10.276) 11.000 2.183 ( 1.073 3.774 10.276) 11.000 2.292 ( -3.444 -3.598 3.528) 6.103 2.292 ( -3.444 3.598 3.528) 6.103 2.524 ( 4.912 -2.036 6.267) 8.219 2.524 ( 4.912 2.036 6.267) 8.219 2.728 ( -4.090 -5.876 -3.833) 8.121 2.728 ( -4.090 5.876 -3.833) 8.121 2.905 ( 3.731 -4.736 1.949) 6.337 2.905 ( 3.731 4.736 1.949) 6.337 3.044 ( -2.739 -3.432 6.057) 7.481 3.044 ( -2.739 3.432 6.057) 7.481 3.416 ( 5.828 -7.130 -7.988) 12.191 3.416 ( 5.828 7.130 -7.988) 12.191 3.636 ( -3.452 -5.623 -0.669) 6.632 3.636 ( -3.452 5.623 -0.669) 6.632 3.899 ( 1.210 -2.789 2.010) 3.644 3.899 ( 1.210 2.789 2.010) 3.644 4.041 ( -3.627 -4.799 -2.679) 6.585 4.041 ( -3.627 4.799 -2.679) 6.585 4.296 ( 2.006 -3.957 -5.673) 7.202 4.296 ( 2.006 3.957 -5.673) 7.202 4.390 ( -1.981 -5.548 -6.540) 8.802 4.390 ( -1.981 5.548 -6.540) 8.802 5.123 ( 0.262 -5.798 1.915) 6.112 5.123 ( 0.262 5.798 1.915) 6.112 5.200 ( -3.358 -3.924 0.426) 5.182 5.200 ( -3.358 3.924 0.426) 5.182 5.494 ( 3.700 -3.978 0.843) 5.498 5.494 ( 3.700 3.978 0.843) 5.498 5.612 ( 6.470 -2.004 -0.359) 6.783 5.612 ( 6.470 2.004 -0.359) 6.783 5.647 ( -1.327 -3.893 0.101) 4.115 5.647 ( -1.327 3.893 0.101) 4.115 5.889 ( -4.115 -1.488 -5.745) 7.222 5.889 ( -4.115 1.488 -5.745) 7.222 6.201 ( 5.710 -1.930 -0.917) 6.097 6.201 ( 5.710 1.930 -0.917) 6.097 6.531 ( -9.337 -4.302 3.333) 10.807 6.531 ( -9.337 4.302 3.333) 10.807 6.749 ( 3.358 -5.102 3.409) 6.995 6.749 ( 3.358 5.102 3.409) 6.995 6.823 ( -0.790 -3.832 -0.724) 3.979 6.823 ( -0.790 3.832 -0.724) 3.979 7.316 ( -0.381 -1.085 1.808) 2.142 7.316 ( -0.381 1.085 1.808) 2.142 7.422 ( -4.172 -0.678 0.724) 4.288 7.422 ( -4.172 0.678 0.724) 4.288 7.728 ( 3.823 -1.795 6.522) 7.769 7.728 ( 3.823 1.795 6.521) 7.769 7.863 ( -1.888 -0.283 6.486) 6.761 7.863 ( -1.888 0.283 6.486) 6.761 8.493 ( 2.004 -4.736 0.048) 5.143 8.493 ( 2.004 4.736 0.048) 5.143 8.577 ( -1.401 -6.011 0.603) 6.201 8.577 ( -1.401 6.011 0.603) 6.201 9.012 ( 3.108 -2.944 -4.770) 6.409 9.012 ( 3.108 2.944 -4.770) 6.409 9.098 ( 0.165 -6.174 -0.937) 6.247 9.098 ( 0.165 6.174 -0.937) 6.247 9.320 ( 0.256 -3.481 -4.647) 5.812 9.320 ( 0.256 3.481 -4.647) 5.812 9.373 ( -1.914 -2.567 -2.462) 4.039 9.373 ( -1.914 2.567 -2.462) 4.039 10.560 ( 0.981 -2.878 0.153) 3.044 10.560 ( 0.981 2.878 0.153) 3.044 10.591 ( -0.007 -2.587 -1.790) 3.146 10.591 ( -0.007 2.587 -1.790) 3.146 11.401 ( 7.866 -2.136 -2.828) 8.627 11.401 ( 7.866 2.136 -2.828) 8.627 11.895 ( -14.064 -4.420 -2.126) 14.895 11.895 ( -14.064 4.420 -2.126) 14.895 12.068 ( 4.692 -0.331 -0.146) 4.706 12.068 ( 4.692 0.331 -0.146) 4.706 12.508 ( -12.211 -2.122 -2.879) 12.724 12.508 ( -12.211 2.122 -2.879) 12.724 12.627 ( 12.623 -1.413 -0.914) 12.734 12.627 ( 12.623 1.413 -0.914) 12.734 12.901 ( 0.045 -1.484 -1.302) 1.975 12.901 ( 0.045 1.484 -1.302) 1.975 13.987 ( 5.695 -1.961 3.317) 6.876 13.987 ( 5.695 1.961 3.317) 6.876 14.236 ( -5.587 -2.242 2.495) 6.517 14.236 ( -5.587 2.242 2.495) 6.517 14.482 ( -0.184 -4.417 3.470) 5.620 14.482 ( -0.184 4.417 3.470) 5.620 14.517 ( -1.840 -3.821 1.991) 4.685 14.517 ( -1.840 3.821 1.991) 4.685 15.206 ( 3.937 -6.908 0.184) 7.953 15.206 ( 3.937 6.908 0.184) 7.953 15.320 ( 4.004 -2.541 2.672) 5.443 15.320 ( 4.004 2.541 2.672) 5.443 15.376 ( 1.036 -2.926 1.957) 3.669 15.376 ( 1.036 2.926 1.957) 3.669 15.653 ( -5.417 -6.587 -6.142) 10.509 15.653 ( -5.417 6.587 -6.142) 10.509 16.820 ( 1.239 -7.600 -4.724) 9.034 16.820 ( 1.239 7.600 -4.724) 9.034 16.933 ( -3.216 -5.806 -2.371) 7.048 16.933 ( -3.216 5.806 -2.371) 7.048 18.124 ( 3.530 -0.880 -1.927) 4.117 18.124 ( 3.530 0.880 -1.927) 4.117 18.259 ( -2.307 -0.509 -4.924) 5.461 18.259 ( -2.307 0.509 -4.924) 5.461 24.599 ( 1.837 -0.748 -0.935) 2.192 24.599 ( 1.837 0.748 -0.935) 2.192 24.689 ( -2.005 -0.274 -2.278) 3.047 24.689 ( -2.005 0.274 -2.278) 3.047 26.570 ( 1.215 -0.919 0.489) 1.600 26.570 ( 1.215 0.919 0.489) 1.600 26.622 ( -1.018 -0.548 0.624) 1.314 26.622 ( -1.018 0.548 0.624) 1.314 28.278 ( 3.715 -1.536 2.717) 4.852 28.278 ( 3.715 1.536 2.717) 4.852 28.454 ( -3.694 -0.284 1.683) 4.070 28.454 ( -3.694 0.284 1.683) 4.070 28.578 ( 1.539 -1.325 1.972) 2.831 28.578 ( 1.539 1.325 1.972) 2.831 28.678 ( -2.965 -3.612 -0.098) 4.675 28.678 ( -2.965 3.612 -0.098) 4.675 29.044 ( 3.854 -1.804 0.719) 4.316 29.044 ( 3.854 1.804 0.719) 4.316 29.224 ( -4.517 -2.371 1.262) 5.255 29.224 ( -4.517 2.371 1.262) 5.255 29.930 ( 3.530 -5.288 1.936) 6.646 29.930 ( 3.530 5.288 1.936) 6.646 30.074 ( -2.721 -4.321 -0.428) 5.124 30.074 ( -2.721 4.321 -0.428) 5.124 30.279 ( 3.960 -7.792 -2.676) 9.141 30.279 ( 3.960 7.792 -2.676) 9.141 30.443 ( -2.870 -7.185 -2.650) 8.178 30.443 ( -2.870 7.185 -2.650) 8.178 ======================= Grid point 159 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -2.191 -7.937 6.614) 10.562 2.224 ( 1.236 -7.886 6.614) 10.366 2.224 ( -1.236 7.886 6.614) 10.366 2.224 ( 2.191 7.937 6.614) 10.562 2.631 ( -6.026 -3.285 1.497) 7.024 2.631 ( 1.729 -1.568 1.497) 2.773 2.631 ( -1.729 1.568 1.497) 2.773 2.631 ( 6.026 3.285 1.497) 7.024 2.979 ( -4.002 -5.281 3.966) 7.723 2.979 ( 3.949 -5.271 3.966) 7.688 2.979 ( -3.949 5.271 3.966) 7.688 2.979 ( 4.002 5.281 3.966) 7.723 3.539 ( -6.501 -8.063 -3.495) 10.932 3.539 ( 5.904 -7.947 -3.495) 10.499 3.539 ( -5.904 7.947 -3.495) 10.499 3.539 ( 6.501 8.063 -3.495) 10.932 3.957 ( -4.631 -3.619 -2.149) 6.258 3.957 ( 3.920 -3.403 -2.149) 5.618 3.957 ( -3.920 3.403 -2.149) 5.618 3.957 ( 4.631 3.619 -2.149) 6.258 4.344 ( -2.798 -5.196 -5.337) 7.957 4.344 ( 2.678 -5.180 -5.337) 7.905 4.344 ( -2.678 5.180 -5.337) 7.905 4.344 ( 2.798 5.196 -5.337) 7.957 5.145 ( -1.921 -6.071 1.132) 6.467 5.145 ( 1.643 -6.050 1.132) 6.370 5.145 ( -1.643 6.050 1.132) 6.370 5.145 ( 1.921 6.071 1.132) 6.467 5.568 ( -3.939 -2.916 1.072) 5.016 5.568 ( 1.120 -2.222 1.072) 2.709 5.568 ( -1.120 2.222 1.072) 2.709 5.568 ( 3.939 2.916 1.072) 5.016 5.780 ( -6.877 -1.962 -3.839) 8.116 5.780 ( -5.956 -0.946 -3.839) 7.149 5.780 ( 5.956 0.946 -3.839) 7.149 5.780 ( 6.877 1.962 -3.839) 8.116 6.345 ( -9.626 -2.629 1.020) 10.030 6.345 ( -9.133 2.144 1.020) 9.436 6.345 ( 9.133 -2.144 1.020) 9.436 6.345 ( 9.626 2.629 1.020) 10.030 6.800 ( -1.846 -5.125 2.104) 5.839 6.800 ( 1.777 -5.119 2.104) 5.813 6.800 ( -1.777 5.119 2.104) 5.813 6.800 ( 1.846 5.125 2.104) 5.839 7.343 ( -3.068 -0.775 1.835) 3.658 7.343 ( -2.721 -0.314 1.835) 3.297 7.343 ( 2.721 0.314 1.835) 3.297 7.343 ( 3.068 0.775 1.835) 3.658 7.806 ( -4.075 -0.779 5.772) 7.109 7.806 ( -4.040 0.732 5.772) 7.083 7.806 ( 4.040 -0.732 5.772) 7.083 7.806 ( 4.075 0.779 5.772) 7.109 8.539 ( -1.825 -8.357 0.808) 8.592 8.539 ( 1.352 -8.334 0.808) 8.482 8.539 ( -1.352 8.334 0.808) 8.482 8.539 ( 1.825 8.357 0.808) 8.592 9.074 ( -2.845 -4.749 -4.281) 6.998 9.074 ( 2.835 -4.748 -4.281) 6.993 9.074 ( -2.835 4.748 -4.281) 6.993 9.074 ( 2.845 4.749 -4.281) 6.998 9.337 ( -1.519 -3.681 -2.504) 4.704 9.337 ( 1.338 -3.664 -2.504) 4.635 9.337 ( -1.338 3.664 -2.504) 4.635 9.337 ( 1.519 3.681 -2.504) 4.704 10.581 ( -0.769 -5.020 -0.999) 5.175 10.581 ( 0.666 -5.016 -0.999) 5.158 10.581 ( -0.666 5.016 -0.999) 5.158 10.581 ( 0.769 5.020 -0.999) 5.175 11.610 ( -14.133 -3.420 -1.671) 14.636 11.610 ( -13.312 2.463 -1.671) 13.641 11.610 ( 13.312 -2.463 -1.671) 13.641 11.610 ( 14.133 3.420 -1.671) 14.636 12.255 ( -12.226 -1.610 -2.893) 12.667 12.255 ( -11.894 -0.766 -2.893) 12.265 12.255 ( 11.894 0.766 -2.893) 12.265 12.255 ( 12.226 1.610 -2.893) 12.667 12.830 ( -7.841 -1.088 -0.578) 7.937 12.830 ( -7.838 1.082 -0.578) 7.933 12.830 ( 7.838 -1.082 -0.578) 7.933 12.830 ( 7.841 1.088 -0.578) 7.937 14.112 ( -5.133 -6.538 3.802) 9.140 14.112 ( -0.891 -6.029 3.802) 7.183 14.112 ( 0.891 6.029 3.802) 7.183 14.112 ( 5.133 6.538 3.802) 9.140 14.488 ( -0.996 -5.877 1.837) 6.237 14.488 ( 0.994 -5.876 1.837) 6.236 14.488 ( -0.994 5.876 1.837) 6.236 14.488 ( 0.996 5.877 1.837) 6.237 15.286 ( -4.006 -5.204 1.760) 6.799 15.286 ( 3.351 -5.087 1.760) 6.340 15.286 ( -3.351 5.087 1.760) 6.340 15.286 ( 4.006 5.204 1.760) 6.799 15.512 ( -8.316 -5.456 -2.160) 10.177 15.512 ( -1.086 -3.574 -2.160) 4.315 15.512 ( 1.086 3.574 -2.160) 4.315 15.512 ( 8.316 5.456 -2.160) 10.177 16.865 ( -1.904 -18.455 -3.718) 18.922 16.865 ( 1.382 -18.444 -3.718) 18.865 16.865 ( -1.382 18.444 -3.718) 18.865 16.865 ( 1.904 18.455 -3.718) 18.922 18.198 ( -3.851 -0.364 -3.467) 5.194 18.198 ( -3.783 -0.064 -3.467) 5.132 18.198 ( 3.783 0.064 -3.467) 5.132 18.198 ( 3.851 0.364 -3.467) 5.194 24.643 ( -1.955 -1.394 -1.644) 2.910 24.643 ( -1.413 -1.219 -1.644) 2.487 24.643 ( 1.413 1.219 -1.644) 2.487 24.643 ( 1.955 1.394 -1.644) 2.910 26.597 ( -1.134 -1.601 0.566) 2.042 26.597 ( -0.018 -1.497 0.566) 1.600 26.597 ( 0.018 1.497 0.566) 1.600 26.597 ( 1.134 1.601 0.566) 2.042 28.366 ( -5.111 -1.147 2.585) 5.841 28.366 ( -4.627 0.371 2.585) 5.313 28.366 ( 4.627 -0.371 2.585) 5.313 28.366 ( 5.111 1.147 2.585) 5.841 28.620 ( -2.899 -2.517 0.570) 3.881 28.620 ( 2.278 -2.352 0.570) 3.323 28.620 ( -2.278 2.352 0.570) 3.323 28.620 ( 2.899 2.517 0.570) 3.881 29.130 ( -3.261 -6.763 1.234) 7.609 29.130 ( 0.068 -6.563 1.234) 6.679 29.130 ( -0.068 6.563 1.234) 6.679 29.130 ( 3.261 6.763 1.234) 7.609 30.006 ( -3.559 -4.474 -0.099) 5.718 30.006 ( 1.155 -4.145 -0.099) 4.305 30.006 ( -1.155 4.145 -0.099) 4.305 30.006 ( 3.559 4.474 -0.099) 5.718 30.368 ( -4.196 -8.586 -2.037) 9.771 30.368 ( 2.844 -8.446 -2.037) 9.142 30.368 ( -2.844 8.446 -2.037) 9.142 30.368 ( 4.196 8.586 -2.037) 9.771 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 0.000 -3.114) 3.114 1.650 ( 0.000 0.000 3.114) 3.114 2.390 ( 0.000 0.000 -0.759) 0.759 2.390 ( 0.000 0.000 0.759) 0.759 2.409 ( 0.000 0.000 -7.258) 7.258 2.409 ( 0.000 0.000 7.258) 7.258 2.869 ( 0.000 0.000 -1.014) 1.014 2.869 ( 0.000 0.000 1.014) 1.014 3.124 ( 0.000 0.000 -11.407) 11.407 3.124 ( 0.000 0.000 11.407) 11.407 3.181 ( 0.000 0.000 -2.161) 2.161 3.181 ( 0.000 0.000 2.161) 2.161 3.189 ( 0.000 0.000 -21.635) 21.635 3.189 ( 0.000 0.000 21.635) 21.635 3.599 ( 0.000 0.000 -7.695) 7.695 3.599 ( 0.000 0.000 7.695) 7.695 3.828 ( 0.000 0.000 -5.091) 5.091 3.828 ( 0.000 0.000 5.091) 5.091 3.886 ( 0.000 0.000 -2.694) 2.694 3.886 ( 0.000 0.000 2.694) 2.694 4.074 ( 0.000 0.000 -3.215) 3.215 4.074 ( 0.000 0.000 3.215) 3.215 4.631 ( 0.000 0.000 -1.445) 1.445 4.631 ( 0.000 0.000 1.445) 1.445 4.740 ( 0.000 0.000 -1.113) 1.113 4.740 ( 0.000 0.000 1.113) 1.113 5.386 ( 0.000 0.000 -5.234) 5.234 5.386 ( 0.000 0.000 5.234) 5.234 5.458 ( 0.000 0.000 -3.062) 3.062 5.458 ( 0.000 0.000 3.062) 3.062 5.620 ( 0.000 0.000 -5.614) 5.614 5.620 ( 0.000 0.000 5.614) 5.614 5.659 ( 0.000 0.000 -5.998) 5.998 5.659 ( 0.000 0.000 5.998) 5.998 5.916 ( 0.000 0.000 -1.056) 1.056 5.916 ( 0.000 0.000 1.056) 1.056 6.093 ( 0.000 0.000 -0.956) 0.956 6.093 ( 0.000 0.000 0.956) 0.956 6.511 ( 0.000 0.000 -6.433) 6.433 6.511 ( 0.000 0.000 6.433) 6.433 6.767 ( 0.000 0.000 -2.488) 2.488 6.767 ( 0.000 0.000 2.488) 2.488 7.023 ( 0.000 0.000 -0.964) 0.964 7.023 ( 0.000 0.000 0.964) 0.964 7.384 ( 0.000 0.000 -1.277) 1.277 7.384 ( 0.000 0.000 1.277) 1.277 7.423 ( 0.000 0.000 -6.020) 6.020 7.423 ( 0.000 0.000 6.020) 6.020 7.853 ( 0.000 0.000 -4.258) 4.258 7.853 ( 0.000 0.000 4.258) 4.258 7.960 ( 0.000 0.000 -3.467) 3.467 7.960 ( 0.000 0.000 3.467) 3.467 8.019 ( 0.000 0.000 -0.977) 0.977 8.019 ( 0.000 0.000 0.977) 0.977 8.602 ( 0.000 0.000 -6.450) 6.450 8.602 ( 0.000 0.000 6.450) 6.450 8.931 ( 0.000 0.000 -9.386) 9.386 8.931 ( 0.000 0.000 9.386) 9.386 9.098 ( 0.000 0.000 -1.267) 1.267 9.098 ( 0.000 0.000 1.267) 1.267 9.249 ( 0.000 0.000 -7.039) 7.039 9.249 ( 0.000 0.000 7.039) 7.039 9.410 ( 0.000 0.000 -5.713) 5.713 9.410 ( 0.000 0.000 5.713) 5.713 10.430 ( 0.000 0.000 -2.859) 2.859 10.430 ( 0.000 0.000 2.859) 2.859 10.734 ( 0.000 0.000 -1.695) 1.695 10.734 ( 0.000 0.000 1.695) 1.695 11.678 ( 0.000 0.000 -0.801) 0.801 11.678 ( 0.000 0.000 0.801) 0.801 12.119 ( 0.000 0.000 -1.538) 1.538 12.119 ( 0.000 0.000 1.538) 1.538 12.227 ( 0.000 0.000 -1.844) 1.844 12.227 ( 0.000 0.000 1.844) 1.844 12.329 ( 0.000 0.000 -0.242) 0.242 12.329 ( 0.000 0.000 0.242) 0.242 12.467 ( 0.000 0.000 -8.984) 8.984 12.467 ( 0.000 0.000 8.984) 8.984 12.954 ( 0.000 0.000 -1.905) 1.905 12.954 ( 0.000 0.000 1.905) 1.905 13.706 ( 0.000 0.000 -1.285) 1.285 13.706 ( 0.000 0.000 1.285) 1.285 14.312 ( 0.000 0.000 -2.125) 2.125 14.312 ( 0.000 0.000 2.125) 2.125 14.394 ( 0.000 0.000 -2.000) 2.000 14.394 ( 0.000 0.000 2.000) 2.000 14.741 ( 0.000 0.000 -1.118) 1.118 14.741 ( 0.000 0.000 1.118) 1.118 15.123 ( 0.000 0.000 -9.449) 9.449 15.123 ( 0.000 0.000 9.449) 9.449 15.269 ( 0.000 0.000 -6.000) 6.000 15.269 ( 0.000 0.000 6.000) 6.000 15.639 ( 0.000 0.000 -1.331) 1.331 15.639 ( 0.000 0.000 1.331) 1.331 15.683 ( 0.000 0.000 -8.673) 8.673 15.683 ( 0.000 0.000 8.673) 8.673 15.854 ( 0.000 0.000 -14.934) 14.934 15.854 ( 0.000 0.000 14.934) 14.934 17.512 ( 0.000 0.000 -6.985) 6.985 17.512 ( 0.000 0.000 6.985) 6.985 18.148 ( 0.000 0.000 -5.663) 5.663 18.148 ( 0.000 0.000 5.663) 5.663 18.167 ( 0.000 0.000 -3.480) 3.480 18.167 ( 0.000 0.000 3.480) 3.480 24.576 ( 0.000 0.000 -2.175) 2.175 24.576 ( 0.000 0.000 2.175) 2.175 24.741 ( 0.000 0.000 -0.605) 0.605 24.741 ( 0.000 0.000 0.605) 0.605 26.585 ( 0.000 0.000 -0.809) 0.809 26.585 ( 0.000 0.000 0.809) 0.809 26.702 ( 0.000 0.000 -1.970) 1.970 26.702 ( 0.000 0.000 1.970) 1.970 28.244 ( 0.000 0.000 -3.572) 3.572 28.244 ( 0.000 0.000 3.572) 3.572 28.414 ( 0.000 0.000 -2.051) 2.051 28.414 ( 0.000 0.000 2.051) 2.051 28.530 ( 0.000 0.000 -2.144) 2.144 28.530 ( 0.000 0.000 2.144) 2.144 28.561 ( 0.000 0.000 -2.410) 2.410 28.561 ( 0.000 0.000 2.410) 2.410 28.747 ( 0.000 0.000 -9.871) 9.871 28.747 ( 0.000 0.000 9.871) 9.871 29.335 ( 0.000 0.000 -1.535) 1.535 29.335 ( 0.000 0.000 1.535) 1.535 29.614 ( 0.000 0.000 -7.901) 7.901 29.614 ( 0.000 0.000 7.901) 7.901 29.972 ( 0.000 0.000 -0.744) 0.744 29.972 ( 0.000 0.000 0.744) 0.744 30.573 ( 0.000 0.000 -5.437) 5.437 30.573 ( 0.000 0.000 5.437) 5.437 30.976 ( 0.000 0.000 -10.018) 10.018 30.976 ( 0.000 0.000 10.018) 10.018 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.160 0.000 -2.250) 2.256 1.652 ( 0.160 0.000 2.250) 2.256 2.395 ( 0.384 0.000 -0.489) 0.622 2.395 ( 0.384 0.000 0.489) 0.622 2.452 ( 3.960 0.000 -8.224) 9.128 2.452 ( 3.960 0.000 8.224) 9.128 2.841 ( -2.256 0.000 -1.016) 2.474 2.841 ( -2.256 0.000 1.016) 2.474 3.093 ( -7.993 0.000 -17.594) 19.324 3.093 ( -7.993 0.000 17.594) 19.324 3.112 ( -0.738 0.000 -5.575) 5.624 3.112 ( -0.738 0.000 5.575) 5.624 3.215 ( 2.475 0.000 -0.587) 2.544 3.215 ( 2.475 0.000 0.587) 2.544 3.608 ( 0.621 0.000 -5.005) 5.043 3.608 ( 0.621 0.000 5.005) 5.043 3.833 ( 0.414 0.000 -3.568) 3.592 3.833 ( 0.414 0.000 3.568) 3.592 3.913 ( 1.852 0.000 -2.291) 2.946 3.913 ( 1.852 0.000 2.291) 2.946 4.157 ( 8.315 0.000 -4.343) 9.381 4.157 ( 8.315 0.000 4.343) 9.381 4.562 ( -6.888 0.000 -2.615) 7.368 4.562 ( -6.888 0.000 2.615) 7.368 4.747 ( 0.552 0.000 -0.812) 0.982 4.747 ( 0.552 0.000 0.812) 0.982 5.366 ( -1.345 0.000 -2.509) 2.846 5.366 ( -1.345 0.000 2.509) 2.846 5.485 ( 1.967 0.000 -1.031) 2.220 5.485 ( 1.967 0.000 1.031) 2.220 5.614 ( -0.667 0.000 -6.469) 6.503 5.614 ( -0.667 0.000 6.469) 6.503 5.641 ( -1.310 0.000 -4.869) 5.042 5.641 ( -1.310 0.000 4.869) 5.042 5.909 ( -0.655 0.000 -0.792) 1.028 5.909 ( -0.655 0.000 0.792) 1.028 6.172 ( 7.932 0.000 -3.071) 8.506 6.172 ( 7.932 0.000 3.071) 8.506 6.501 ( -2.795 0.000 -6.305) 6.897 6.501 ( -2.795 0.000 6.305) 6.897 6.730 ( -2.546 0.000 -2.456) 3.538 6.730 ( -2.546 0.000 2.456) 3.538 7.058 ( 3.410 0.000 -0.662) 3.473 7.058 ( 3.410 0.000 0.662) 3.473 7.346 ( -3.641 0.000 -0.995) 3.774 7.346 ( -3.641 0.000 0.995) 3.774 7.402 ( -1.772 0.000 -4.298) 4.649 7.402 ( -1.772 0.000 4.298) 4.649 7.888 ( 2.919 0.000 -4.250) 5.156 7.888 ( 2.919 0.000 4.250) 5.156 7.962 ( 0.192 0.000 -2.507) 2.515 7.962 ( 0.192 0.000 2.507) 2.515 8.009 ( -0.946 0.000 -0.357) 1.012 8.009 ( -0.946 0.000 0.357) 1.012 8.586 ( -1.297 0.000 -4.545) 4.726 8.586 ( -1.297 0.000 4.545) 4.726 8.950 ( 1.674 0.000 -7.003) 7.200 8.950 ( 1.674 0.000 7.003) 7.200 9.055 ( -3.356 0.000 -2.249) 4.040 9.055 ( -3.356 0.000 2.249) 4.040 9.236 ( -1.181 0.000 -5.548) 5.672 9.236 ( -1.181 0.000 5.548) 5.672 9.431 ( 1.493 0.000 -4.152) 4.412 9.431 ( 1.493 0.000 4.152) 4.412 10.424 ( -0.433 0.000 -2.033) 2.078 10.424 ( -0.433 0.000 2.033) 2.078 10.744 ( 0.721 0.000 -1.441) 1.612 10.744 ( 0.721 0.000 1.441) 1.612 11.751 ( 7.548 0.000 -3.937) 8.513 11.751 ( 7.548 0.000 3.937) 8.513 12.132 ( 1.269 0.000 -3.125) 3.373 12.132 ( 1.269 0.000 3.125) 3.373 12.205 ( -10.568 0.000 -4.951) 11.670 12.205 ( -10.568 0.000 4.951) 11.670 12.214 ( -1.288 0.000 -3.272) 3.516 12.214 ( -1.288 0.000 3.272) 3.516 12.544 ( 5.706 0.000 -3.042) 6.466 12.544 ( 5.706 0.000 3.042) 6.466 12.948 ( -0.935 0.000 -1.390) 1.675 12.948 ( -0.935 0.000 1.390) 1.675 13.719 ( 1.192 0.000 -1.098) 1.621 13.719 ( 1.192 0.000 1.098) 1.621 14.302 ( -0.893 0.000 -1.800) 2.009 14.302 ( -0.893 0.000 1.800) 2.009 14.373 ( -1.829 0.000 -1.185) 2.179 14.373 ( -1.829 0.000 1.185) 2.179 14.736 ( -0.390 0.000 -1.017) 1.089 14.736 ( -0.390 0.000 1.017) 1.089 15.147 ( 2.048 0.000 -6.887) 7.185 15.147 ( 2.048 0.000 6.887) 7.185 15.311 ( 3.938 0.000 -5.130) 6.467 15.311 ( 3.938 0.000 5.130) 6.467 15.627 ( -1.014 0.000 -1.697) 1.976 15.627 ( -1.014 0.000 1.697) 1.976 15.646 ( -3.474 0.000 -6.822) 7.656 15.646 ( -3.474 0.000 6.822) 7.656 15.853 ( -0.064 0.000 -10.276) 10.276 15.853 ( -0.064 0.000 10.276) 10.276 17.512 ( -0.005 0.000 -4.937) 4.937 17.512 ( -0.005 0.000 4.937) 4.937 18.134 ( -0.713 0.000 -3.599) 3.669 18.134 ( -0.713 0.000 3.599) 3.669 18.187 ( 1.235 0.000 -4.085) 4.267 18.187 ( 1.235 0.000 4.085) 4.267 24.593 ( 1.602 0.000 -1.724) 2.353 24.593 ( 1.602 0.000 1.724) 2.353 24.723 ( -1.761 0.000 -0.429) 1.812 24.723 ( -1.761 0.000 0.429) 1.812 26.587 ( 0.234 0.000 -0.681) 0.720 26.587 ( 0.234 0.000 0.681) 0.720 26.700 ( -0.230 0.000 -1.465) 1.483 26.700 ( -0.230 0.000 1.465) 1.483 28.263 ( 1.746 0.000 -2.801) 3.300 28.263 ( 1.746 0.000 2.801) 3.300 28.426 ( 1.307 0.000 -2.322) 2.665 28.426 ( 1.307 0.000 2.322) 2.665 28.509 ( -1.965 0.000 -1.742) 2.626 28.509 ( -1.965 0.000 1.742) 2.626 28.523 ( -3.215 0.000 -2.483) 4.063 28.523 ( -3.215 0.000 2.483) 4.063 28.779 ( 2.380 0.000 -6.214) 6.655 28.779 ( 2.380 0.000 6.214) 6.655 29.342 ( 0.520 0.000 -1.045) 1.167 29.342 ( 0.520 0.000 1.045) 1.167 29.608 ( -0.471 0.000 -5.688) 5.708 29.608 ( -0.471 0.000 5.688) 5.708 29.971 ( -0.049 0.000 -0.572) 0.574 29.971 ( -0.049 0.000 0.572) 0.574 30.551 ( -1.784 0.000 -3.333) 3.780 30.551 ( -1.784 0.000 3.333) 3.780 30.994 ( 1.470 0.000 -6.592) 6.754 30.994 ( 1.470 0.000 6.592) 6.754 ======================= Grid point 179 (63/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 -0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 -0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 -0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.292 ( -0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.445 ( -0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.603 ( -0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 -0.000) 0.000 5.629 ( -0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 6.318 ( -0.000 0.000 -0.000) 0.000 6.318 ( 0.000 0.000 -0.000) 0.000 6.403 ( -0.000 0.000 0.000) 0.000 6.403 ( -0.000 0.000 0.000) 0.000 6.712 ( -0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 -0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.995 ( -0.000 0.000 -0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 -0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 -0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 -0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.446 ( -0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.888 ( -0.000 0.000 -0.000) 0.000 11.888 ( -0.000 0.000 0.000) 0.000 12.039 ( 0.000 0.000 -0.000) 0.000 12.039 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 -0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 -0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.612 ( -0.000 0.000 -0.000) 0.000 12.612 ( 0.000 0.000 0.000) 0.000 12.931 ( -0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 13.734 ( -0.000 0.000 0.000) 0.000 13.734 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.351 ( 0.000 0.000 0.000) 0.000 14.351 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 15.171 ( 0.000 0.000 -0.000) 0.000 15.171 ( 0.000 0.000 0.000) 0.000 15.364 ( -0.000 0.000 -0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.615 ( -0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.853 ( -0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 17.512 ( 0.000 0.000 0.000) 0.000 17.512 ( 0.000 0.000 0.000) 0.000 18.128 ( 0.000 0.000 -0.000) 0.000 18.128 ( 0.000 0.000 0.000) 0.000 18.199 ( 0.000 0.000 -0.000) 0.000 18.199 ( 0.000 0.000 0.000) 0.000 24.616 ( -0.000 0.000 0.000) 0.000 24.616 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 -0.000) 0.000 24.698 ( 0.000 0.000 0.000) 0.000 26.590 ( 0.000 0.000 -0.000) 0.000 26.590 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 28.286 ( -0.000 0.000 0.000) 0.000 28.286 ( 0.000 0.000 0.000) 0.000 28.457 ( 0.000 0.000 -0.000) 0.000 28.457 ( 0.000 0.000 0.000) 0.000 28.472 ( -0.000 0.000 -0.000) 0.000 28.472 ( -0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 28.805 ( 0.000 0.000 -0.000) 0.000 28.805 ( 0.000 0.000 0.000) 0.000 29.348 ( 0.000 0.000 0.000) 0.000 29.348 ( 0.000 0.000 0.000) 0.000 29.603 ( -0.000 0.000 0.000) 0.000 29.603 ( 0.000 0.000 0.000) 0.000 29.971 ( 0.000 0.000 0.000) 0.000 29.971 ( 0.000 0.000 0.000) 0.000 30.530 ( 0.000 0.000 0.000) 0.000 30.530 ( 0.000 0.000 0.000) 0.000 31.010 ( 0.000 0.000 0.000) 0.000 31.010 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 185 (64/72) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 15.919 -4.649) 16.584 1.837 ( 0.000 15.919 4.649) 16.584 2.357 ( 0.000 -1.119 -4.987) 5.111 2.357 ( 0.000 -1.119 4.987) 5.111 2.468 ( 0.000 3.225 -1.725) 3.657 2.468 ( 0.000 3.225 1.725) 3.657 2.870 ( 0.000 -1.663 -3.748) 4.100 2.870 ( 0.000 -1.663 3.748) 4.100 3.002 ( 0.000 -5.842 -6.454) 8.705 3.002 ( 0.000 -5.842 6.454) 8.705 3.110 ( 0.000 -3.889 -0.531) 3.925 3.110 ( 0.000 -3.889 0.531) 3.925 3.227 ( 0.000 0.025 -15.523) 15.523 3.227 ( 0.000 0.025 15.523) 15.523 3.734 ( 0.000 6.775 -8.221) 10.653 3.734 ( 0.000 6.775 8.221) 10.653 3.806 ( 0.000 1.888 -1.940) 2.707 3.806 ( 0.000 1.888 1.940) 2.707 3.938 ( 0.000 3.570 -2.282) 4.237 3.938 ( 0.000 3.570 2.282) 4.237 4.063 ( 0.000 -0.398 -3.427) 3.450 4.063 ( 0.000 -0.398 3.427) 3.450 4.565 ( 0.000 -5.709 -1.820) 5.992 4.565 ( 0.000 -5.709 1.820) 5.992 4.821 ( 0.000 6.938 -1.645) 7.131 4.821 ( 0.000 6.938 1.645) 7.131 5.402 ( 0.000 1.394 -3.205) 3.495 5.402 ( 0.000 1.394 3.205) 3.495 5.427 ( 0.000 -3.025 -1.990) 3.621 5.427 ( 0.000 -3.025 1.990) 3.621 5.617 ( 0.000 -1.122 -4.565) 4.701 5.617 ( 0.000 -1.122 4.565) 4.701 5.661 ( 0.000 1.011 -3.629) 3.767 5.661 ( 0.000 1.011 3.629) 3.767 5.897 ( 0.000 -1.672 -1.082) 1.992 5.897 ( 0.000 -1.672 1.082) 1.992 6.111 ( 0.000 1.238 -0.973) 1.574 6.111 ( 0.000 1.238 0.973) 1.574 6.532 ( 0.000 2.201 -5.721) 6.130 6.532 ( 0.000 2.201 5.721) 6.130 6.751 ( 0.000 -1.289 -1.735) 2.161 6.751 ( 0.000 -1.289 1.735) 2.161 7.006 ( 0.000 -2.106 -1.361) 2.507 7.006 ( 0.000 -2.106 1.361) 2.507 7.383 ( 0.000 -2.760 -4.865) 5.593 7.383 ( 0.000 -2.760 4.865) 5.593 7.409 ( 0.000 1.863 -0.904) 2.071 7.409 ( 0.000 1.863 0.904) 2.071 7.803 ( 0.000 -2.304 -4.014) 4.628 7.803 ( 0.000 -2.304 4.014) 4.628 8.003 ( 0.000 -1.310 -0.600) 1.441 8.003 ( 0.000 -1.310 0.600) 1.441 8.092 ( 0.000 9.743 -1.853) 9.918 8.092 ( 0.000 9.743 1.853) 9.918 8.627 ( 0.000 1.894 -4.620) 4.993 8.627 ( 0.000 1.894 4.620) 4.993 8.934 ( 0.000 0.184 -7.248) 7.250 8.934 ( 0.000 0.184 7.248) 7.250 9.116 ( 0.000 1.431 -4.031) 4.278 9.116 ( 0.000 1.431 4.032) 4.278 9.224 ( 0.000 -1.908 -4.674) 5.048 9.224 ( 0.000 -1.908 4.674) 5.048 9.403 ( 0.000 -0.622 -4.811) 4.851 9.403 ( 0.000 -0.622 4.811) 4.851 10.442 ( 0.000 1.238 -2.192) 2.517 10.442 ( 0.000 1.238 2.192) 2.517 10.711 ( 0.000 -2.138 -1.209) 2.456 10.711 ( 0.000 -2.138 1.209) 2.456 11.547 ( 0.000 -9.493 -1.280) 9.579 11.547 ( 0.000 -9.493 1.280) 9.579 12.092 ( 0.000 -5.063 -1.523) 5.287 12.092 ( 0.000 -5.063 1.523) 5.287 12.272 ( 0.000 4.568 -1.064) 4.690 12.272 ( 0.000 4.568 1.064) 4.690 12.379 ( 0.000 -2.027 -7.108) 7.391 12.379 ( 0.000 -2.027 7.108) 7.391 12.476 ( 0.000 6.825 -0.419) 6.838 12.476 ( 0.000 6.825 0.419) 6.838 12.872 ( 0.000 -5.906 -0.441) 5.923 12.872 ( 0.000 -5.906 0.441) 5.923 13.789 ( 0.000 6.451 -0.704) 6.489 13.789 ( 0.000 6.451 0.704) 6.489 14.332 ( 0.000 1.595 -2.164) 2.688 14.332 ( 0.000 1.595 2.164) 2.688 14.427 ( 0.000 2.483 -2.482) 3.511 14.427 ( 0.000 2.483 2.482) 3.511 14.649 ( 0.000 -6.547 -1.441) 6.704 14.649 ( 0.000 -6.547 1.441) 6.704 15.124 ( 0.000 0.127 -9.060) 9.061 15.124 ( 0.000 0.127 9.060) 9.061 15.274 ( 0.000 0.749 -4.736) 4.795 15.274 ( 0.000 0.749 4.737) 4.795 15.534 ( 0.000 -3.074 -3.583) 4.721 15.534 ( 0.000 -3.074 3.583) 4.721 15.758 ( 0.000 -3.939 -11.341) 12.006 15.758 ( 0.000 -3.939 11.341) 12.006 16.023 ( 0.000 18.217 -5.707) 19.090 16.023 ( 0.000 18.217 5.707) 19.090 17.426 ( 0.000 -7.969 -5.502) 9.684 17.426 ( 0.000 -7.969 5.502) 9.684 18.136 ( 0.000 -1.406 -5.134) 5.323 18.136 ( 0.000 -1.406 5.134) 5.323 18.178 ( 0.000 1.184 -2.964) 3.192 18.178 ( 0.000 1.184 2.964) 3.192 24.576 ( 0.000 -0.065 -1.864) 1.866 24.576 ( 0.000 -0.065 1.864) 1.866 24.727 ( 0.000 -1.243 -0.496) 1.338 24.727 ( 0.000 -1.243 0.496) 1.338 26.578 ( 0.000 -0.603 -0.933) 1.111 26.578 ( 0.000 -0.603 0.933) 1.111 26.687 ( 0.000 -1.376 -1.505) 2.039 26.687 ( 0.000 -1.376 1.505) 2.039 28.250 ( 0.000 0.507 -3.082) 3.124 28.250 ( 0.000 0.507 3.082) 3.124 28.444 ( 0.000 2.404 -1.827) 3.020 28.444 ( 0.000 2.404 1.827) 3.020 28.507 ( 0.000 0.307 -1.055) 1.099 28.507 ( 0.000 0.307 1.055) 1.099 28.633 ( 0.000 3.897 -4.792) 6.176 28.633 ( 0.000 3.897 4.792) 6.176 28.799 ( 0.000 4.980 -6.189) 7.944 28.799 ( 0.000 4.980 6.189) 7.944 29.326 ( 0.000 -0.841 -1.860) 2.041 29.326 ( 0.000 -0.841 1.860) 2.041 29.662 ( 0.000 4.677 -7.505) 8.843 29.662 ( 0.000 4.677 7.505) 8.843 29.981 ( 0.000 0.922 -0.680) 1.145 29.981 ( 0.000 0.922 0.680) 1.145 30.519 ( 0.000 -4.897 -4.823) 6.874 30.519 ( 0.000 -4.897 4.823) 6.874 30.861 ( 0.000 -10.536 -9.408) 14.125 30.861 ( 0.000 -10.536 9.408) 14.125 ======================= Grid point 187 (65/72) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.026 15.678 -3.239) 16.009 1.837 ( -0.026 15.678 3.239) 16.009 2.350 ( -0.451 -2.174 -3.603) 4.232 2.350 ( -0.451 -2.174 3.603) 4.232 2.499 ( 2.617 2.507 -3.261) 4.875 2.499 ( 2.617 2.507 3.261) 4.875 2.842 ( -2.134 -0.905 -3.335) 4.062 2.842 ( -2.134 -0.905 3.335) 4.062 2.991 ( -0.618 -4.126 -6.687) 7.882 2.991 ( -0.618 -4.126 6.687) 7.882 3.142 ( 1.379 -4.176 -5.363) 6.936 3.142 ( 1.379 -4.176 5.363) 6.936 3.191 ( -2.280 2.274 -15.719) 16.046 3.191 ( -2.280 2.274 15.719) 16.046 3.707 ( -1.789 6.171 -5.395) 8.390 3.707 ( -1.789 6.171 5.395) 8.390 3.817 ( 1.073 0.255 -2.609) 2.832 3.817 ( 1.073 0.255 2.609) 2.832 3.955 ( 0.785 2.809 -1.758) 3.405 3.955 ( 0.785 2.809 1.758) 3.405 4.134 ( 6.810 -1.469 -1.477) 7.122 4.134 ( 6.810 -1.469 1.477) 7.122 4.511 ( -5.212 -4.314 -2.191) 7.112 4.511 ( -5.212 -4.314 2.191) 7.112 4.827 ( 0.497 6.890 -1.188) 7.010 4.827 ( 0.497 6.890 1.188) 7.010 5.350 ( -2.396 -1.697 -2.072) 3.593 5.350 ( -2.396 -1.697 2.072) 3.593 5.484 ( 2.756 0.098 -1.447) 3.114 5.484 ( 2.756 0.098 1.447) 3.114 5.619 ( 0.377 0.257 -3.897) 3.923 5.619 ( 0.377 0.257 3.897) 3.923 5.645 ( -1.377 0.452 -4.093) 4.342 5.645 ( -1.377 0.452 4.093) 4.342 5.890 ( -0.797 -1.814 -0.848) 2.155 5.890 ( -0.797 -1.814 0.848) 2.155 6.179 ( 7.186 0.583 -2.630) 7.674 6.179 ( 7.186 0.583 2.630) 7.674 6.511 ( -3.914 1.074 -5.707) 7.003 6.511 ( -3.914 1.074 5.707) 7.003 6.712 ( -2.230 -1.152 -1.994) 3.206 6.712 ( -2.230 -1.152 1.994) 3.206 7.045 ( 3.509 -1.917 -0.984) 4.117 7.045 ( 3.509 -1.917 0.984) 4.117 7.363 ( -1.894 -2.302 -2.645) 3.985 7.363 ( -1.894 -2.302 2.645) 3.985 7.372 ( -3.182 1.760 -1.191) 3.827 7.372 ( -3.182 1.760 1.191) 3.827 7.837 ( 3.188 -2.366 -3.756) 5.465 7.837 ( 3.188 -2.366 3.756) 5.465 7.973 ( -2.970 -0.991 -0.438) 3.161 7.973 ( -2.970 -0.991 0.438) 3.161 8.118 ( 2.088 9.521 -1.394) 9.846 8.118 ( 2.088 9.521 1.394) 9.846 8.611 ( -1.360 1.940 -3.235) 4.009 8.611 ( -1.360 1.940 3.235) 4.009 8.952 ( 1.514 0.091 -5.493) 5.698 8.952 ( 1.514 0.091 5.493) 5.698 9.087 ( -2.019 2.789 -1.346) 3.697 9.087 ( -2.019 2.789 1.346) 3.697 9.210 ( -1.476 -2.102 -3.249) 4.142 9.210 ( -1.476 -2.102 3.249) 4.142 9.421 ( 1.268 -1.018 -3.528) 3.885 9.421 ( 1.268 -1.018 3.528) 3.885 10.438 ( -0.316 1.368 -1.568) 2.104 10.438 ( -0.316 1.368 1.568) 2.104 10.723 ( 0.910 -2.029 -1.089) 2.476 10.723 ( 0.910 -2.029 1.089) 2.476 11.626 ( 8.355 -9.302 -2.982) 12.854 11.626 ( 8.355 -9.302 2.982) 12.854 12.084 ( -7.957 -6.285 -6.347) 11.962 12.084 ( -7.957 -6.285 6.347) 11.962 12.139 ( -3.653 -2.669 -0.718) 4.581 12.139 ( -3.653 -2.669 0.718) 4.581 12.322 ( -2.814 6.808 -1.231) 7.469 12.322 ( -2.814 6.808 1.231) 7.469 12.609 ( 7.519 4.980 -1.491) 9.141 12.609 ( 7.519 4.980 1.491) 9.141 12.878 ( 0.356 -4.981 -0.998) 5.092 12.878 ( 0.356 -4.981 0.998) 5.092 13.796 ( 0.582 6.464 -0.623) 6.520 13.796 ( 0.582 6.464 0.623) 6.520 14.317 ( -1.262 1.412 -1.833) 2.636 14.317 ( -1.262 1.412 1.833) 2.636 14.393 ( -2.796 1.066 -1.644) 3.414 14.393 ( -2.796 1.066 1.644) 3.414 14.658 ( 0.773 -5.529 -0.901) 5.656 14.658 ( 0.773 -5.529 0.901) 5.656 15.158 ( 2.760 0.959 -6.648) 7.262 15.158 ( 2.760 0.959 6.648) 7.262 15.288 ( 1.135 -0.268 -3.132) 3.342 15.288 ( 1.135 -0.268 3.132) 3.342 15.551 ( 1.883 -2.338 -2.823) 4.121 15.551 ( 1.883 -2.338 2.823) 4.121 15.738 ( -2.106 -3.658 -8.217) 9.238 15.738 ( -2.106 -3.658 8.217) 9.238 15.999 ( -2.074 17.813 -4.525) 18.495 15.999 ( -2.074 17.813 4.525) 18.495 17.424 ( -0.221 -8.223 -3.880) 9.095 17.424 ( -0.221 -8.223 3.880) 9.095 18.136 ( 0.084 -0.180 -2.973) 2.979 18.136 ( 0.084 -0.180 2.973) 2.979 18.185 ( 0.587 0.116 -2.861) 2.923 18.185 ( 0.587 0.116 2.861) 2.923 24.591 ( 1.535 -0.130 -1.492) 2.144 24.591 ( 1.535 -0.130 1.492) 2.144 24.710 ( -1.712 -1.196 -0.355) 2.118 24.710 ( -1.712 -1.196 0.355) 2.118 26.581 ( 0.334 -0.482 -0.738) 0.942 26.581 ( 0.334 -0.482 0.738) 0.942 26.684 ( -0.277 -1.442 -1.135) 1.856 26.684 ( -0.277 -1.442 1.135) 1.856 28.275 ( 2.392 0.966 -2.570) 3.642 28.275 ( 2.392 0.966 2.570) 3.642 28.441 ( -0.807 0.811 -1.040) 1.546 28.441 ( -0.807 0.811 1.040) 1.546 28.492 ( -0.805 1.647 -1.271) 2.231 28.492 ( -0.805 1.647 1.271) 2.231 28.598 ( -2.809 3.899 -3.134) 5.737 28.598 ( -2.809 3.899 3.134) 5.737 28.830 ( 2.351 4.887 -4.233) 6.880 28.830 ( 2.351 4.887 4.233) 6.880 29.324 ( -0.200 -1.581 -1.222) 2.008 29.324 ( -0.200 -1.581 1.222) 2.008 29.662 ( 0.028 5.126 -5.202) 7.303 29.662 ( 0.028 5.126 5.202) 7.303 29.981 ( 0.004 0.991 -0.558) 1.137 29.981 ( 0.004 0.991 0.558) 1.137 30.499 ( -1.628 -4.698 -2.872) 5.742 30.499 ( -1.628 -4.698 2.872) 5.742 30.878 ( 1.402 -10.641 -6.146) 12.368 30.878 ( 1.402 -10.641 6.146) 12.368 ======================= Grid point 189 (66/72) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 15.446 0.000) 15.446 1.837 ( 0.000 15.446 0.000) 15.446 2.346 ( 0.000 -3.177 0.000) 3.177 2.346 ( 0.000 -3.177 0.000) 3.177 2.530 ( 0.000 1.235 0.000) 1.235 2.530 ( 0.000 1.235 0.000) 1.235 2.819 ( 0.000 0.248 0.000) 0.248 2.819 ( 0.000 0.248 0.000) 0.248 2.987 ( 0.000 -2.491 -0.000) 2.491 2.987 ( 0.000 -2.491 0.000) 2.491 3.125 ( -0.000 1.596 -0.000) 1.596 3.125 ( -0.000 1.596 0.000) 1.596 3.192 ( 0.000 -1.737 -0.000) 1.737 3.192 ( 0.000 -1.737 0.000) 1.737 3.690 ( 0.000 5.189 0.000) 5.189 3.690 ( 0.000 5.189 0.000) 5.189 3.830 ( 0.000 0.002 0.000) 0.002 3.830 ( 0.000 0.002 0.000) 0.002 3.961 ( 0.000 1.833 -0.000) 1.833 3.961 ( 0.000 1.833 0.000) 1.833 4.232 ( -0.000 -4.623 0.000) 4.623 4.232 ( 0.000 -4.623 0.000) 4.623 4.432 ( 0.000 -1.238 0.000) 1.238 4.432 ( 0.000 -1.238 0.000) 1.238 4.833 ( 0.000 6.801 0.000) 6.801 4.833 ( 0.000 6.801 0.000) 6.801 5.328 ( 0.000 -2.268 0.000) 2.268 5.328 ( 0.000 -2.268 0.000) 2.268 5.508 ( 0.000 0.531 0.000) 0.531 5.508 ( 0.000 0.531 0.000) 0.531 5.628 ( 0.000 -0.188 -0.001) 0.188 5.628 ( 0.000 -0.188 0.002) 0.188 5.628 ( -0.000 2.083 -0.002) 2.083 5.628 ( 0.000 2.083 0.001) 2.083 5.878 ( 0.000 -2.188 0.000) 2.188 5.878 ( 0.000 -2.188 0.000) 2.188 6.321 ( -0.000 0.316 -0.000) 0.316 6.321 ( 0.000 0.316 -0.000) 0.316 6.396 ( -0.000 -0.650 0.000) 0.650 6.396 ( -0.000 -0.650 0.000) 0.650 6.700 ( -0.000 -0.560 0.000) 0.560 6.700 ( 0.000 -0.560 0.000) 0.560 7.091 ( 0.000 -2.291 0.000) 2.291 7.091 ( 0.000 -2.291 0.000) 2.291 7.324 ( 0.000 2.412 0.000) 2.412 7.324 ( 0.000 2.412 0.000) 2.412 7.346 ( 0.000 -2.246 0.000) 2.246 7.346 ( 0.000 -2.246 0.000) 2.246 7.900 ( -0.000 -2.442 -0.000) 2.442 7.900 ( 0.000 -2.442 0.000) 2.442 7.911 ( 0.000 -1.083 -0.000) 1.083 7.911 ( -0.000 -1.083 0.000) 1.083 8.142 ( -0.000 9.851 0.000) 9.851 8.142 ( 0.000 9.851 0.000) 9.851 8.595 ( 0.000 1.914 -0.000) 1.914 8.595 ( 0.000 1.914 0.000) 1.914 8.969 ( 0.000 -0.116 -0.000) 0.116 8.969 ( 0.000 -0.116 0.000) 0.116 9.069 ( 0.000 4.644 -0.000) 4.644 9.069 ( 0.000 4.644 0.000) 4.644 9.189 ( 0.000 -2.935 -0.000) 2.935 9.189 ( 0.000 -2.935 0.000) 2.935 9.434 ( 0.000 -1.195 0.000) 1.195 9.434 ( 0.000 -1.195 0.000) 1.195 10.434 ( 0.000 1.482 0.000) 1.482 10.434 ( 0.000 1.482 0.000) 1.482 10.733 ( 0.000 -1.877 0.000) 1.877 10.733 ( 0.000 -1.877 0.000) 1.877 11.815 ( 0.000 -6.107 -0.000) 6.107 11.815 ( 0.000 -6.107 0.000) 6.107 11.860 ( -0.000 -11.581 0.000) 11.581 11.860 ( 0.000 -11.581 0.000) 11.581 12.152 ( -0.000 0.147 -0.000) 0.147 12.152 ( -0.000 0.147 0.000) 0.147 12.287 ( 0.000 3.731 0.000) 3.731 12.287 ( 0.000 3.731 0.000) 3.731 12.686 ( -0.000 5.788 0.000) 5.788 12.686 ( 0.000 5.788 0.000) 5.788 12.879 ( -0.000 -3.748 0.000) 3.748 12.879 ( 0.000 -3.748 0.000) 3.748 13.803 ( 0.000 6.521 0.000) 6.521 13.803 ( 0.000 6.521 0.000) 6.521 14.302 ( 0.000 1.340 -0.000) 1.340 14.302 ( 0.000 1.340 0.000) 1.340 14.361 ( -0.000 -0.316 0.000) 0.316 14.361 ( 0.000 -0.316 0.000) 0.316 14.667 ( 0.000 -4.632 0.000) 4.632 14.667 ( 0.000 -4.632 0.000) 4.632 15.189 ( 0.000 1.636 0.000) 1.636 15.189 ( 0.000 1.636 0.000) 1.636 15.300 ( -0.000 -1.369 0.000) 1.369 15.300 ( 0.000 -1.369 0.000) 1.369 15.583 ( 0.000 -1.486 0.000) 1.486 15.583 ( 0.000 -1.486 0.000) 1.486 15.704 ( 0.000 -3.089 -0.000) 3.089 15.704 ( -0.000 -3.089 0.000) 3.089 15.974 ( -0.000 17.136 0.000) 17.136 15.974 ( 0.000 17.136 0.000) 17.136 17.421 ( 0.000 -8.469 0.000) 8.469 17.421 ( 0.000 -8.469 0.000) 8.469 18.138 ( 0.000 0.760 -0.000) 0.760 18.138 ( 0.000 0.760 0.000) 0.760 18.192 ( 0.000 -0.674 -0.000) 0.674 18.192 ( 0.000 -0.674 0.000) 0.674 24.614 ( 0.000 -0.157 0.000) 0.157 24.614 ( 0.000 -0.157 0.000) 0.157 24.685 ( 0.000 -1.188 -0.000) 1.188 24.685 ( 0.000 -1.188 0.000) 1.188 26.585 ( 0.000 -0.350 -0.000) 0.350 26.585 ( 0.000 -0.350 0.000) 0.350 26.680 ( 0.000 -1.520 0.000) 1.520 26.680 ( 0.000 -1.520 0.000) 1.520 28.310 ( 0.000 2.064 0.000) 2.064 28.310 ( -0.000 2.064 0.000) 2.064 28.419 ( 0.000 -1.658 0.000) 1.658 28.419 ( 0.000 -1.658 0.000) 1.658 28.492 ( 0.000 3.203 0.000) 3.203 28.492 ( 0.000 3.203 0.000) 3.203 28.564 ( 0.000 3.848 0.000) 3.848 28.564 ( 0.000 3.848 0.000) 3.848 28.856 ( 0.000 4.876 -0.000) 4.876 28.856 ( 0.000 4.876 0.000) 4.876 29.322 ( 0.000 -2.318 0.000) 2.318 29.322 ( 0.000 -2.318 0.000) 2.318 29.663 ( -0.000 5.574 0.000) 5.574 29.663 ( 0.000 5.574 0.000) 5.574 29.981 ( 0.000 1.040 0.000) 1.040 29.981 ( 0.000 1.040 0.000) 1.040 30.481 ( 0.000 -4.484 0.000) 4.484 30.481 ( 0.000 -4.484 0.000) 4.484 30.894 ( 0.000 -10.749 0.000) 10.749 30.894 ( 0.000 -10.749 0.000) 10.749 ======================= Grid point 195 (67/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 15.403 -8.242) 17.470 2.188 ( 0.000 15.403 8.242) 17.470 2.353 ( 0.000 0.735 -5.111) 5.163 2.353 ( 0.000 0.735 5.111) 5.163 2.514 ( 0.000 0.815 -1.265) 1.505 2.514 ( 0.000 0.815 1.265) 1.505 2.738 ( 0.000 -8.841 -13.096) 15.801 2.738 ( 0.000 -8.841 13.096) 15.801 2.971 ( 0.000 0.472 -0.600) 0.763 2.971 ( 0.000 0.472 0.600) 0.763 3.086 ( 0.000 2.266 -1.431) 2.680 3.086 ( 0.000 2.266 1.431) 2.680 3.216 ( 0.000 -0.449 -12.453) 12.461 3.216 ( 0.000 -0.449 12.453) 12.461 3.712 ( 0.000 -3.294 -6.091) 6.924 3.712 ( 0.000 -3.294 6.091) 6.924 3.938 ( 0.000 3.626 -0.312) 3.639 3.938 ( 0.000 3.626 0.312) 3.639 4.001 ( 0.000 2.388 -5.270) 5.786 4.001 ( 0.000 2.388 5.270) 5.786 4.118 ( 0.000 6.039 -4.033) 7.262 4.118 ( 0.000 6.039 4.033) 7.262 4.421 ( 0.000 -7.327 -3.693) 8.205 4.421 ( 0.000 -7.327 3.693) 8.205 4.996 ( 0.000 9.359 -3.095) 9.858 4.996 ( 0.000 9.359 3.095) 9.858 5.336 ( 0.000 -5.630 -0.154) 5.632 5.336 ( 0.000 -5.630 0.154) 5.632 5.437 ( 0.000 2.019 -0.785) 2.167 5.437 ( 0.000 2.019 0.785) 2.167 5.569 ( 0.000 -3.145 -1.698) 3.574 5.569 ( 0.000 -3.145 1.698) 3.574 5.698 ( 0.000 1.894 -0.019) 1.894 5.698 ( 0.000 1.894 0.019) 1.894 5.856 ( 0.000 -1.966 -1.638) 2.559 5.856 ( 0.000 -1.966 1.638) 2.559 6.125 ( 0.000 0.076 -0.920) 0.923 6.125 ( 0.000 0.076 0.920) 0.923 6.612 ( 0.000 5.540 -3.837) 6.739 6.612 ( 0.000 5.540 3.837) 6.739 6.729 ( 0.000 -0.652 -0.886) 1.100 6.729 ( 0.000 -0.652 0.886) 1.100 6.917 ( 0.000 -6.414 -2.456) 6.868 6.917 ( 0.000 -6.414 2.456) 6.868 7.339 ( 0.000 -1.094 -2.216) 2.472 7.339 ( 0.000 -1.094 2.216) 2.472 7.451 ( 0.000 1.750 -0.492) 1.817 7.451 ( 0.000 1.750 0.492) 1.817 7.776 ( 0.000 -0.467 -2.621) 2.662 7.776 ( 0.000 -0.467 2.621) 2.662 7.972 ( 0.000 -1.497 -0.333) 1.534 7.972 ( 0.000 -1.497 0.333) 1.534 8.312 ( 0.000 10.635 -0.111) 10.635 8.312 ( 0.000 10.635 0.111) 10.635 8.647 ( 0.000 -0.688 -0.765) 1.029 8.647 ( 0.000 -0.688 0.765) 1.029 8.933 ( 0.000 -0.313 -2.879) 2.896 8.933 ( 0.000 -0.313 2.879) 2.896 9.127 ( 0.000 -0.899 -9.420) 9.462 9.127 ( 0.000 -0.899 9.420) 9.462 9.209 ( 0.000 0.960 -1.979) 2.200 9.209 ( 0.000 0.960 1.979) 2.200 9.387 ( 0.000 -0.759 -2.564) 2.674 9.387 ( 0.000 -0.759 2.564) 2.674 10.485 ( 0.000 3.053 -0.775) 3.150 10.485 ( 0.000 3.053 0.775) 3.150 10.650 ( 0.000 -3.679 -0.320) 3.692 10.650 ( 0.000 -3.679 0.320) 3.692 11.367 ( 0.000 -6.881 -1.388) 7.020 11.367 ( 0.000 -6.881 1.388) 7.020 11.978 ( 0.000 -4.937 -1.623) 5.197 11.978 ( 0.000 -4.937 1.623) 5.197 12.255 ( 0.000 -4.494 -3.123) 5.473 12.255 ( 0.000 -4.494 3.123) 5.473 12.372 ( 0.000 2.388 -0.035) 2.388 12.372 ( 0.000 2.388 0.035) 2.388 12.637 ( 0.000 3.747 -0.004) 3.747 12.637 ( 0.000 3.747 0.004) 3.747 12.799 ( 0.000 0.924 -0.265) 0.961 12.799 ( 0.000 0.924 0.265) 0.961 13.911 ( 0.000 4.484 -0.742) 4.545 13.911 ( 0.000 4.484 0.742) 4.545 14.336 ( 0.000 -2.075 -0.237) 2.089 14.336 ( 0.000 -2.075 0.237) 2.089 14.481 ( 0.000 3.376 -2.604) 4.264 14.481 ( 0.000 3.376 2.604) 4.264 14.573 ( 0.000 -0.475 -1.169) 1.262 14.573 ( 0.000 -0.475 1.169) 1.262 15.128 ( 0.000 0.244 -7.537) 7.541 15.128 ( 0.000 0.244 7.537) 7.541 15.299 ( 0.000 1.397 -2.683) 3.025 15.299 ( 0.000 1.397 2.683) 3.025 15.498 ( 0.000 -0.682 -2.045) 2.156 15.498 ( 0.000 -0.682 2.045) 2.156 15.632 ( 0.000 -6.926 -13.824) 15.461 15.632 ( 0.000 -6.926 13.824) 15.462 16.436 ( 0.000 20.114 -2.497) 20.269 16.436 ( 0.000 20.114 2.497) 20.269 17.201 ( 0.000 -13.329 -2.621) 13.585 17.201 ( 0.000 -13.329 2.621) 13.585 18.102 ( 0.000 -1.523 -2.377) 2.823 18.102 ( 0.000 -1.523 2.377) 2.823 18.203 ( 0.000 0.979 -0.980) 1.385 18.203 ( 0.000 0.979 0.980) 1.385 24.575 ( 0.000 0.014 -1.063) 1.063 24.575 ( 0.000 0.014 1.063) 1.063 24.698 ( 0.000 -1.322 -0.249) 1.345 24.698 ( 0.000 -1.322 0.249) 1.345 26.566 ( 0.000 -0.408 -0.848) 0.941 26.566 ( 0.000 -0.408 0.848) 0.941 26.655 ( 0.000 -1.448 -0.592) 1.564 26.655 ( 0.000 -1.448 0.592) 1.564 28.263 ( 0.000 0.602 -1.769) 1.868 28.263 ( 0.000 0.602 1.769) 1.868 28.480 ( 0.000 0.972 -1.406) 1.709 28.480 ( 0.000 0.972 1.406) 1.709 28.557 ( 0.000 3.478 -0.251) 3.487 28.557 ( 0.000 3.478 0.251) 3.487 28.692 ( 0.000 1.782 -4.520) 4.858 28.692 ( 0.000 1.782 4.520) 4.858 28.928 ( 0.000 6.337 -1.698) 6.560 28.928 ( 0.000 6.337 1.698) 6.560 29.303 ( 0.000 -1.359 -1.782) 2.241 29.303 ( 0.000 -1.359 1.782) 2.241 29.805 ( 0.000 8.865 -6.766) 11.152 29.805 ( 0.000 8.865 6.766) 11.152 30.012 ( 0.000 2.241 -0.585) 2.316 30.012 ( 0.000 2.241 0.585) 2.316 30.383 ( 0.000 -8.286 -3.317) 8.925 30.383 ( 0.000 -8.286 3.317) 8.925 30.591 ( 0.000 -13.320 -7.316) 15.197 30.591 ( 0.000 -13.320 7.316) 15.197 ======================= Grid point 197 (68/72) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -1.062 14.188 -5.384) 15.212 2.175 ( -1.062 14.188 5.384) 15.212 2.335 ( -1.515 0.810 -4.388) 4.712 2.335 ( -1.515 0.810 4.388) 4.712 2.527 ( 1.223 0.281 -1.700) 2.113 2.527 ( 1.223 0.281 1.700) 2.113 2.747 ( 0.790 -8.072 -9.335) 12.366 2.747 ( 0.790 -8.072 9.335) 12.366 2.966 ( -0.476 2.270 -2.634) 3.510 2.966 ( -0.476 2.270 2.634) 3.510 3.124 ( 2.577 1.709 -8.593) 9.132 3.124 ( 2.577 1.709 8.593) 9.132 3.225 ( 1.470 1.849 -15.260) 15.442 3.225 ( 1.470 1.849 15.260) 15.442 3.703 ( -1.318 -4.577 -7.198) 8.632 3.703 ( -1.318 -4.577 7.198) 8.632 3.894 ( -2.097 3.452 -1.041) 4.171 3.894 ( -2.097 3.452 1.041) 4.171 3.998 ( -1.419 1.023 -2.213) 2.821 3.998 ( -1.419 1.023 2.213) 2.821 4.152 ( 2.710 3.988 -2.068) 5.247 4.152 ( 2.710 3.988 2.068) 5.247 4.403 ( -1.444 -5.603 -3.448) 6.735 4.403 ( -1.444 -5.603 3.448) 6.735 4.997 ( 0.037 8.859 -2.187) 9.125 4.997 ( 0.037 8.859 2.187) 9.125 5.289 ( -2.761 -4.227 -1.366) 5.230 5.289 ( -2.761 -4.227 1.366) 5.230 5.496 ( 3.666 1.042 -1.264) 4.015 5.496 ( 3.666 1.042 1.264) 4.015 5.612 ( 4.199 -0.992 -1.682) 4.631 5.612 ( 4.199 -0.993 1.682) 4.631 5.663 ( -2.982 1.006 -0.502) 3.187 5.663 ( -2.982 1.006 0.502) 3.187 5.841 ( -1.655 -2.435 -1.053) 3.126 5.841 ( -1.655 -2.435 1.053) 3.126 6.188 ( 6.531 0.196 -1.714) 6.755 6.188 ( 6.531 0.196 1.714) 6.755 6.542 ( -8.033 1.606 -3.697) 8.987 6.542 ( -8.033 1.606 3.697) 8.987 6.713 ( -0.037 1.961 -2.357) 3.066 6.713 ( -0.037 1.961 2.357) 3.066 6.955 ( 2.873 -6.651 -1.672) 7.435 6.955 ( 2.873 -6.651 1.672) 7.435 7.332 ( -0.420 -0.264 -1.295) 1.387 7.332 ( -0.420 -0.264 1.295) 1.387 7.414 ( -3.411 1.582 -0.455) 3.787 7.414 ( -3.411 1.582 0.455) 3.787 7.806 ( 2.987 -0.741 -2.408) 3.908 7.806 ( 2.987 -0.741 2.408) 3.908 7.946 ( -2.785 -1.255 -0.139) 3.058 7.946 ( -2.785 -1.255 0.139) 3.058 8.336 ( 2.209 10.631 -0.935) 10.899 8.336 ( 2.209 10.631 0.935) 10.899 8.636 ( -1.041 -0.380 -0.673) 1.296 8.636 ( -1.041 -0.380 0.673) 1.296 8.952 ( 1.673 0.057 -2.489) 3.000 8.952 ( 1.673 0.057 2.489) 3.000 9.114 ( -0.749 -1.598 -7.680) 7.880 9.114 ( -0.749 -1.598 7.680) 7.880 9.206 ( -0.759 3.027 -4.250) 5.272 9.206 ( -0.759 3.027 4.250) 5.273 9.390 ( 0.288 -1.894 -1.991) 2.763 9.390 ( 0.288 -1.894 1.991) 2.763 10.485 ( -0.057 3.232 -0.740) 3.316 10.485 ( -0.057 3.232 0.740) 3.316 10.661 ( 0.849 -3.942 -0.487) 4.062 10.661 ( 0.849 -3.942 0.487) 4.062 11.447 ( 8.454 -6.925 -2.010) 11.111 11.447 ( 8.454 -6.925 2.010) 11.111 11.940 ( -11.486 -6.173 -4.476) 13.787 11.940 ( -11.486 -6.173 4.476) 13.787 12.091 ( 0.089 -1.958 -0.337) 1.989 12.091 ( 0.089 -1.958 0.337) 1.989 12.434 ( -7.244 3.807 -1.333) 8.291 12.434 ( -7.244 3.807 1.333) 8.291 12.654 ( 8.716 -1.778 -1.058) 8.958 12.654 ( 8.716 -1.778 1.058) 8.958 12.846 ( 1.660 2.586 -1.062) 3.251 12.846 ( 1.660 2.586 1.062) 3.251 13.942 ( 2.816 6.592 -1.130) 7.257 13.942 ( 2.816 6.592 1.130) 7.257 14.315 ( -1.757 -3.220 -1.058) 3.818 14.315 ( -1.757 -3.220 1.058) 3.818 14.423 ( -4.818 4.017 -2.143) 6.629 14.423 ( -4.818 4.017 2.143) 6.629 14.587 ( 1.064 -1.597 -0.631) 2.020 14.587 ( 1.064 -1.597 0.631) 2.020 15.181 ( 4.412 1.026 -6.174) 7.657 15.181 ( 4.412 1.026 6.174) 7.657 15.313 ( 1.033 2.084 -1.752) 2.912 15.313 ( 1.033 2.084 1.752) 2.912 15.505 ( 1.079 -2.061 -3.127) 3.897 15.505 ( 1.079 -2.061 3.127) 3.897 15.609 ( -2.399 -6.945 -11.060) 13.278 15.609 ( -2.399 -6.945 11.060) 13.278 16.419 ( -1.440 20.882 -2.167) 21.044 16.419 ( -1.440 20.882 2.167) 21.044 17.190 ( -0.955 -13.990 -1.947) 14.157 17.190 ( -0.955 -13.990 1.947) 14.157 18.122 ( 1.898 -0.930 -1.515) 2.600 18.122 ( 1.898 -0.930 1.515) 2.600 18.194 ( -0.930 0.544 -0.881) 1.391 18.194 ( -0.930 0.544 0.881) 1.391 24.589 ( 1.465 -0.014 -0.879) 1.708 24.589 ( 1.465 -0.014 0.879) 1.708 24.681 ( -1.676 -1.311 -0.191) 2.136 24.681 ( -1.676 -1.311 0.191) 2.136 26.574 ( 0.731 -0.129 -0.700) 1.021 26.574 ( 0.731 -0.129 0.700) 1.021 26.649 ( -0.572 -1.675 -0.522) 1.845 26.649 ( -0.572 -1.675 0.522) 1.845 28.296 ( 3.357 0.886 -1.552) 3.803 28.296 ( 3.357 0.886 1.552) 3.803 28.457 ( -2.651 0.800 -0.349) 2.791 28.457 ( -2.651 0.800 0.349) 2.791 28.558 ( 0.467 3.537 -1.013) 3.709 28.558 ( 0.467 3.537 1.013) 3.709 28.659 ( -2.804 1.886 -3.160) 4.627 28.659 ( -2.804 1.886 3.160) 4.627 28.960 ( 2.636 6.759 -1.529) 7.414 28.960 ( 2.636 6.759 1.529) 7.414 29.279 ( -2.013 -2.657 -1.364) 3.602 29.279 ( -2.013 -2.657 1.364) 3.602 29.814 ( 0.786 9.252 -4.511) 10.323 29.814 ( 0.786 9.252 4.511) 10.323 30.013 ( 0.001 2.085 -0.687) 2.196 30.013 ( 0.001 2.085 0.687) 2.196 30.376 ( -0.524 -6.755 -2.135) 7.103 30.376 ( -0.524 -6.755 2.135) 7.103 30.600 ( 0.647 -14.495 -4.924) 15.322 30.600 ( 0.647 -14.495 4.924) 15.322 ======================= Grid point 199 (69/72) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.000 13.200 -0.000) 13.200 2.163 ( 0.000 13.200 0.000) 13.200 2.317 ( 0.000 0.603 -0.000) 0.603 2.317 ( 0.000 0.603 0.000) 0.603 2.542 ( 0.000 0.367 0.000) 0.367 2.542 ( 0.000 0.367 0.000) 0.367 2.756 ( 0.000 -8.209 0.000) 8.209 2.756 ( 0.000 -8.209 0.000) 8.209 2.961 ( 0.000 4.115 0.000) 4.115 2.961 ( 0.000 4.115 0.000) 4.115 3.144 ( 0.000 -0.435 0.000) 0.435 3.144 ( -0.000 -0.435 0.000) 0.435 3.254 ( 0.000 7.079 -0.000) 7.079 3.254 ( 0.000 7.079 -0.000) 7.079 3.680 ( 0.000 -6.814 0.000) 6.814 3.680 ( 0.000 -6.814 0.000) 6.814 3.884 ( 0.000 3.319 0.000) 3.319 3.884 ( 0.000 3.319 0.000) 3.319 3.973 ( 0.000 -0.813 -0.000) 0.813 3.973 ( 0.000 -0.813 0.000) 0.813 4.182 ( 0.000 1.860 0.000) 1.860 4.182 ( 0.000 1.860 0.000) 1.860 4.387 ( 0.000 -3.466 -0.000) 3.466 4.387 ( 0.000 -3.466 0.000) 3.466 4.997 ( 0.000 8.409 0.000) 8.409 4.997 ( 0.000 8.409 0.000) 8.409 5.262 ( 0.000 -4.050 0.000) 4.050 5.262 ( 0.000 -4.050 0.000) 4.050 5.537 ( 0.000 2.248 0.000) 2.248 5.537 ( 0.000 2.248 0.000) 2.248 5.618 ( 0.000 -0.848 -0.000) 0.848 5.618 ( -0.000 -0.848 0.000) 0.848 5.676 ( 0.000 2.420 -0.000) 2.420 5.676 ( 0.000 2.420 0.000) 2.420 5.813 ( 0.000 -3.889 -0.000) 3.889 5.813 ( 0.000 -3.889 0.000) 3.889 6.332 ( -0.000 0.734 0.000) 0.734 6.332 ( 0.000 0.734 -0.000) 0.734 6.378 ( -0.000 -1.151 0.000) 1.151 6.378 ( 0.000 -1.151 0.000) 1.151 6.719 ( -0.000 2.947 0.000) 2.947 6.719 ( 0.000 2.947 0.000) 2.947 6.987 ( 0.000 -7.391 0.000) 7.391 6.987 ( 0.000 -7.391 0.000) 7.391 7.334 ( -0.000 1.050 0.000) 1.050 7.334 ( -0.000 1.050 0.000) 1.050 7.366 ( 0.000 1.120 0.000) 1.120 7.366 ( 0.000 1.120 0.000) 1.120 7.867 ( -0.000 -0.773 0.000) 0.773 7.867 ( 0.000 -0.773 0.000) 0.773 7.886 ( 0.000 -1.234 -0.000) 1.234 7.886 ( -0.000 -1.234 0.000) 1.234 8.364 ( -0.000 10.824 0.000) 10.824 8.364 ( 0.000 10.824 0.000) 10.824 8.623 ( 0.000 -0.159 0.000) 0.159 8.623 ( 0.000 -0.159 0.000) 0.159 8.972 ( 0.000 0.832 -0.000) 0.832 8.972 ( 0.000 0.832 0.000) 0.832 9.109 ( 0.000 -4.488 -0.000) 4.488 9.109 ( 0.000 -4.488 0.000) 4.488 9.191 ( -0.000 6.513 -0.000) 6.513 9.191 ( 0.000 6.513 0.000) 6.513 9.394 ( 0.000 -2.774 0.000) 2.774 9.394 ( 0.000 -2.774 0.000) 2.774 10.484 ( 0.000 3.392 0.000) 3.392 10.484 ( 0.000 3.392 0.000) 3.392 10.670 ( 0.000 -4.156 0.000) 4.156 10.670 ( 0.000 -4.156 0.000) 4.156 11.653 ( 0.000 -7.195 0.000) 7.195 11.653 ( 0.000 -7.195 0.000) 7.195 11.678 ( -0.000 -6.311 -0.000) 6.311 11.678 ( -0.000 -6.311 0.000) 6.311 12.169 ( -0.000 1.746 0.000) 1.746 12.169 ( -0.000 1.746 0.000) 1.746 12.297 ( 0.000 -2.383 0.000) 2.383 12.297 ( 0.000 -2.383 0.000) 2.383 12.790 ( -0.000 3.410 0.000) 3.410 12.790 ( -0.000 3.410 0.000) 3.410 12.827 ( 0.000 -0.922 0.000) 0.922 12.827 ( 0.000 -0.922 0.000) 0.922 13.978 ( 0.000 9.370 0.000) 9.370 13.978 ( 0.000 9.370 0.000) 9.370 14.293 ( 0.000 -5.893 -0.000) 5.893 14.293 ( 0.000 -5.893 0.000) 5.893 14.367 ( -0.000 5.396 0.000) 5.396 14.367 ( 0.000 5.396 0.000) 5.396 14.598 ( -0.000 -2.581 0.000) 2.581 14.598 ( 0.000 -2.581 0.000) 2.581 15.235 ( 0.000 2.808 0.000) 2.808 15.235 ( 0.000 2.808 0.000) 2.808 15.320 ( -0.000 1.955 0.000) 1.955 15.320 ( 0.000 1.955 0.000) 1.955 15.538 ( -0.000 -2.800 -0.000) 2.800 15.538 ( 0.000 -2.800 0.000) 2.800 15.562 ( -0.000 -7.844 -0.000) 7.844 15.562 ( -0.000 -7.844 0.000) 7.844 16.402 ( -0.000 21.696 0.000) 21.696 16.402 ( 0.000 21.696 0.000) 21.696 17.179 ( 0.000 -14.641 0.000) 14.641 17.179 ( 0.000 -14.641 0.000) 14.641 18.152 ( 0.000 0.552 -0.000) 0.552 18.152 ( 0.000 0.552 0.000) 0.552 18.176 ( -0.000 -0.791 -0.000) 0.791 18.176 ( 0.000 -0.791 0.000) 0.791 24.614 ( 0.000 0.223 0.000) 0.223 24.614 ( 0.000 0.223 0.000) 0.223 24.654 ( 0.000 -1.565 -0.000) 1.565 24.654 ( 0.000 -1.565 0.000) 1.565 26.584 ( 0.000 0.326 0.000) 0.326 26.584 ( 0.000 0.326 0.000) 0.326 26.641 ( 0.000 -2.078 0.000) 2.078 26.641 ( 0.000 -2.078 0.000) 2.078 28.357 ( -0.000 2.210 0.000) 2.210 28.357 ( 0.000 2.210 0.000) 2.210 28.402 ( 0.000 -0.339 0.000) 0.339 28.402 ( 0.000 -0.339 0.000) 0.339 28.570 ( 0.000 3.787 0.000) 3.787 28.570 ( 0.000 3.787 0.000) 3.787 28.622 ( -0.000 1.638 0.000) 1.638 28.622 ( 0.000 1.638 0.000) 1.638 28.991 ( 0.000 7.589 0.000) 7.589 28.991 ( 0.000 7.589 0.000) 7.589 29.255 ( 0.000 -4.223 0.000) 4.223 29.255 ( 0.000 -4.223 0.000) 4.223 29.824 ( 0.000 9.704 0.000) 9.704 29.824 ( 0.000 9.704 0.000) 9.704 30.012 ( 0.000 1.698 0.000) 1.698 30.012 ( 0.000 1.698 0.000) 1.698 30.371 ( 0.000 -5.169 0.000) 5.169 30.371 ( 0.000 -5.169 0.000) 5.169 30.607 ( 0.000 -15.607 0.000) 15.607 30.607 ( 0.000 -15.607 0.000) 15.607 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 0.000 -0.000) 0.000 2.351 ( 0.000 -0.000 0.000) 0.000 2.402 ( 0.000 0.000 -0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 -0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 -0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 -0.000 -0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 -0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 -0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 -0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 -0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 -0.000 -0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 -0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 -0.000 0.000) 0.000 8.608 ( 0.000 -0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 -0.000) 0.000 9.227 ( 0.000 0.000 -0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 -0.000 0.000) 0.000 10.558 ( 0.000 -0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.401 ( 0.000 0.000 0.000) 0.000 12.401 ( 0.000 0.000 0.000) 0.000 12.646 ( 0.000 0.000 0.000) 0.000 12.646 ( 0.000 0.000 0.000) 0.000 12.843 ( 0.000 0.000 0.000) 0.000 12.843 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 -0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 14.569 ( 0.000 -0.000 0.000) 0.000 14.569 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 -0.000 -0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.512 ( 0.000 0.000 -0.000) 0.000 15.512 ( 0.000 0.000 0.000) 0.000 15.525 ( 0.000 -0.000 -0.000) 0.000 15.525 ( 0.000 -0.000 0.000) 0.000 16.754 ( 0.000 -0.000 0.000) 0.000 16.754 ( 0.000 -0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 18.084 ( 0.000 0.000 -0.000) 0.000 18.084 ( 0.000 0.000 0.000) 0.000 18.213 ( 0.000 0.000 -0.000) 0.000 18.213 ( 0.000 0.000 0.000) 0.000 24.575 ( 0.000 0.000 0.000) 0.000 24.575 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 26.562 ( 0.000 0.000 0.000) 0.000 26.562 ( 0.000 0.000 0.000) 0.000 26.638 ( 0.000 0.000 0.000) 0.000 26.638 ( 0.000 0.000 0.000) 0.000 28.270 ( 0.000 0.000 0.000) 0.000 28.270 ( 0.000 0.000 0.000) 0.000 28.490 ( 0.000 0.000 0.000) 0.000 28.490 ( 0.000 0.000 0.000) 0.000 28.600 ( 0.000 0.000 0.000) 0.000 28.600 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 29.005 ( 0.000 0.000 0.000) 0.000 29.005 ( 0.000 0.000 0.000) 0.000 29.283 ( 0.000 0.000 0.000) 0.000 29.283 ( 0.000 0.000 0.000) 0.000 29.938 ( 0.000 0.000 0.000) 0.000 29.938 ( 0.000 0.000 0.000) 0.000 30.090 ( 0.000 0.000 0.000) 0.000 30.090 ( 0.000 -0.000 0.000) 0.000 30.203 ( 0.000 0.000 0.000) 0.000 30.203 ( 0.000 0.000 0.000) 0.000 30.440 ( 0.000 0.000 0.000) 0.000 30.440 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 209 (71/72) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -1.336 -0.000 -0.000) 1.336 2.336 ( -1.336 -0.000 0.000) 1.336 2.358 ( -3.178 0.000 -0.000) 3.178 2.358 ( -3.178 0.000 0.000) 3.178 2.544 ( 2.155 0.000 -0.000) 2.155 2.544 ( 2.155 0.000 0.000) 2.155 2.610 ( 0.403 0.000 0.000) 0.403 2.610 ( 0.403 0.000 0.000) 0.403 3.014 ( 3.441 0.000 0.000) 3.441 3.014 ( 3.441 0.000 0.000) 3.441 3.141 ( -1.628 0.000 0.000) 1.628 3.141 ( -1.628 0.000 0.000) 1.628 3.273 ( 7.912 0.000 -0.000) 7.912 3.273 ( 7.912 0.000 0.000) 7.912 3.619 ( -5.288 0.000 -0.000) 5.288 3.619 ( -5.288 0.000 0.000) 5.288 3.935 ( -2.156 -0.000 -0.000) 2.156 3.935 ( -2.156 0.000 0.000) 2.156 3.996 ( -3.342 0.000 0.000) 3.342 3.996 ( -3.342 0.000 0.000) 3.342 4.233 ( 3.035 -0.000 0.000) 3.035 4.233 ( 3.035 0.000 0.000) 3.035 4.317 ( -1.166 0.000 0.000) 1.166 4.317 ( -1.166 0.000 0.000) 1.166 5.150 ( -0.511 -0.000 0.000) 0.511 5.150 ( -0.511 0.000 0.000) 0.511 5.190 ( -2.231 -0.000 0.000) 2.231 5.190 ( -2.231 0.000 0.000) 2.231 5.513 ( 3.377 0.000 0.000) 3.377 5.513 ( 3.377 0.000 0.000) 3.377 5.594 ( 7.237 0.000 0.000) 7.237 5.594 ( 7.237 -0.000 0.000) 7.237 5.675 ( -4.001 0.000 0.000) 4.001 5.675 ( -4.001 0.000 0.000) 4.001 5.812 ( -2.399 0.000 -0.000) 2.399 5.812 ( -2.399 0.000 0.000) 2.399 6.189 ( 6.576 0.000 0.000) 6.576 6.189 ( 6.576 0.000 0.000) 6.576 6.560 ( -10.906 0.000 0.000) 10.906 6.560 ( -10.906 0.000 0.000) 10.906 6.804 ( 1.541 0.000 -0.000) 1.541 6.804 ( 1.541 0.000 0.000) 1.541 6.808 ( 2.503 -0.000 -0.000) 2.503 6.808 ( 2.503 -0.000 0.000) 2.503 7.334 ( 0.595 0.000 0.000) 0.595 7.334 ( 0.595 0.000 0.000) 0.595 7.430 ( -3.735 0.000 0.000) 3.735 7.430 ( -3.735 0.000 0.000) 3.735 7.800 ( 2.725 0.000 0.000) 2.725 7.800 ( 2.725 0.000 0.000) 2.725 7.931 ( -2.544 0.000 0.000) 2.544 7.931 ( -2.544 0.000 0.000) 2.544 8.490 ( 2.947 0.000 0.000) 2.947 8.490 ( 2.947 0.000 0.000) 2.947 8.597 ( -1.368 -0.000 0.000) 1.368 8.597 ( -1.368 -0.000 0.000) 1.368 8.955 ( 2.744 0.000 0.000) 2.744 8.955 ( 2.744 0.000 0.000) 2.744 9.085 ( -2.760 0.000 0.000) 2.760 9.085 ( -2.760 0.000 0.000) 2.760 9.257 ( 2.881 0.000 0.000) 2.881 9.257 ( 2.881 0.000 0.000) 2.881 9.360 ( -1.904 0.000 0.000) 1.904 9.360 ( -1.904 0.000 0.000) 1.904 10.563 ( 0.505 -0.000 0.000) 0.505 10.563 ( 0.505 0.000 0.000) 0.505 10.573 ( 0.119 -0.000 0.000) 0.119 10.573 ( 0.119 0.000 0.000) 0.119 11.371 ( 8.473 0.000 0.000) 8.473 11.371 ( 8.473 0.000 0.000) 8.473 11.870 ( -12.032 0.000 0.000) 12.032 11.870 ( -12.032 0.000 0.000) 12.032 12.069 ( 1.601 0.000 0.000) 1.601 12.069 ( 1.601 0.000 0.000) 1.601 12.477 ( -13.606 0.000 0.000) 13.606 12.477 ( -13.606 0.000 0.000) 13.606 12.619 ( 13.761 0.000 0.000) 13.761 12.619 ( 13.761 0.000 0.000) 13.761 12.887 ( 0.721 0.000 0.000) 0.721 12.887 ( 0.721 0.000 0.000) 0.721 14.022 ( 6.208 0.000 0.000) 6.208 14.022 ( 6.208 -0.000 0.000) 6.208 14.261 ( -4.248 0.000 0.000) 4.248 14.261 ( -4.248 0.000 0.000) 4.248 14.517 ( -1.571 -0.000 0.000) 1.571 14.517 ( -1.571 0.000 0.000) 1.571 14.542 ( -2.411 -0.000 0.000) 2.411 14.542 ( -2.411 0.000 0.000) 2.411 15.192 ( 5.798 0.000 -0.000) 5.798 15.192 ( 5.798 0.000 0.000) 5.798 15.341 ( 1.501 -0.000 -0.000) 1.501 15.341 ( 1.501 0.000 0.000) 1.501 15.487 ( -2.011 0.000 -0.000) 2.011 15.487 ( -2.011 0.000 0.000) 2.011 15.515 ( -1.148 0.000 0.000) 1.148 15.515 ( -1.148 -0.000 0.000) 1.148 16.770 ( 1.897 -0.000 0.000) 1.897 16.770 ( 1.897 0.000 0.000) 1.897 16.912 ( -4.154 0.000 0.000) 4.154 16.912 ( -4.154 0.000 0.000) 4.154 18.110 ( 2.524 0.000 -0.000) 2.524 18.110 ( 2.524 0.000 0.000) 2.524 18.201 ( -1.409 0.000 -0.000) 1.409 18.201 ( -1.409 0.000 0.000) 1.409 24.590 ( 1.503 0.000 0.000) 1.503 24.590 ( 1.503 0.000 0.000) 1.503 24.666 ( -1.729 0.000 0.000) 1.729 24.666 ( -1.729 0.000 0.000) 1.729 26.574 ( 1.242 0.000 0.000) 1.242 26.574 ( 1.242 0.000 0.000) 1.242 26.628 ( -1.034 0.000 0.000) 1.034 26.628 ( -1.034 0.000 0.000) 1.034 28.306 ( 3.689 0.000 0.000) 3.689 28.306 ( 3.689 0.000 0.000) 3.689 28.467 ( -2.743 0.000 0.000) 2.743 28.467 ( -2.743 0.000 0.000) 2.743 28.601 ( 0.458 0.000 0.000) 0.458 28.601 ( 0.458 0.000 0.000) 0.458 28.677 ( -2.830 0.000 0.000) 2.830 28.677 ( -2.830 0.000 0.000) 2.830 29.050 ( 4.264 0.000 0.000) 4.264 29.050 ( 4.264 0.000 0.000) 4.264 29.238 ( -4.413 0.000 0.000) 4.413 29.238 ( -4.413 0.000 0.000) 4.413 29.956 ( 1.929 0.000 0.000) 1.929 29.956 ( 1.929 0.000 0.000) 1.929 30.063 ( -2.694 -0.000 0.000) 2.694 30.063 ( -2.694 0.000 0.000) 2.694 30.253 ( 4.721 0.000 0.000) 4.721 30.253 ( 4.721 0.000 0.000) 4.721 30.417 ( -2.492 -0.000 0.000) 2.492 30.417 ( -2.492 0.000 0.000) 2.492 ======================= Grid point 213 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.033 -2.377 -0.000) 2.377 2.322 ( -0.033 -2.377 0.000) 2.377 2.322 ( 0.034 2.377 0.000) 2.377 2.322 ( 0.034 2.377 0.000) 2.377 2.590 ( -0.462 -5.454 -0.000) 5.474 2.590 ( -0.462 -5.454 0.000) 5.473 2.590 ( 0.462 5.454 0.000) 5.474 2.590 ( 0.462 5.454 0.000) 5.474 3.085 ( -1.278 -5.111 -0.000) 5.269 3.085 ( -1.278 -5.111 0.000) 5.269 3.085 ( 1.278 5.111 0.000) 5.269 3.085 ( 1.278 5.111 0.000) 5.269 3.462 ( -4.356 -11.160 -0.000) 11.980 3.462 ( -4.356 -11.160 0.000) 11.980 3.462 ( 4.356 11.160 0.000) 11.980 3.462 ( 4.356 11.160 0.000) 11.980 3.937 ( -0.983 -2.092 0.000) 2.311 3.937 ( -0.983 -2.092 0.000) 2.311 3.937 ( 0.983 2.092 -0.000) 2.311 3.937 ( 0.983 2.092 0.000) 2.311 4.285 ( -0.451 -5.953 0.000) 5.971 4.285 ( -0.451 -5.953 0.000) 5.971 4.285 ( 0.451 5.953 0.000) 5.971 4.285 ( 0.452 5.953 0.000) 5.971 5.155 ( -0.113 -6.476 0.000) 6.477 5.155 ( -0.113 -6.476 0.000) 6.477 5.155 ( 0.113 6.476 0.000) 6.477 5.155 ( 0.113 6.476 0.000) 6.477 5.587 ( -3.141 -1.530 0.000) 3.494 5.587 ( -3.141 -1.530 0.000) 3.494 5.587 ( 3.141 1.530 -0.000) 3.494 5.587 ( 3.141 1.530 0.000) 3.494 5.734 ( -4.147 -2.521 -0.000) 4.853 5.734 ( -4.147 -2.521 0.000) 4.853 5.734 ( 4.147 2.521 -0.000) 4.853 5.734 ( 4.147 2.521 0.000) 4.853 6.352 ( -10.450 -0.269 0.000) 10.454 6.352 ( -10.450 -0.269 0.000) 10.454 6.352 ( 10.450 0.269 0.000) 10.454 6.352 ( 10.450 0.269 0.000) 10.454 6.827 ( -0.011 -7.183 0.000) 7.183 6.827 ( -0.011 -7.183 0.000) 7.183 6.827 ( 0.011 7.183 0.000) 7.183 6.827 ( 0.011 7.183 0.000) 7.183 7.363 ( -2.137 -0.788 0.000) 2.277 7.363 ( -2.136 -0.788 0.000) 2.277 7.363 ( 2.137 0.788 0.000) 2.277 7.363 ( 2.136 0.788 0.000) 2.277 7.866 ( -3.902 -0.147 0.000) 3.905 7.866 ( -3.902 -0.147 0.000) 3.905 7.866 ( 3.902 0.147 0.000) 3.905 7.866 ( 3.902 0.147 0.000) 3.905 8.554 ( -0.776 -6.539 0.000) 6.585 8.554 ( -0.776 -6.539 0.000) 6.585 8.554 ( 0.776 6.539 0.000) 6.585 8.554 ( 0.776 6.539 0.000) 6.585 9.020 ( -1.820 -3.289 0.000) 3.759 9.020 ( -1.820 -3.289 0.000) 3.759 9.020 ( 1.820 3.289 0.000) 3.759 9.020 ( 1.820 3.289 0.000) 3.759 9.314 ( -0.817 -4.834 0.000) 4.903 9.314 ( -0.817 -4.834 0.000) 4.903 9.314 ( 0.817 4.834 0.000) 4.903 9.314 ( 0.817 4.834 0.000) 4.903 10.572 ( -0.010 -4.909 0.000) 4.909 10.572 ( -0.010 -4.909 0.000) 4.909 10.572 ( 0.010 4.909 0.000) 4.909 10.572 ( 0.010 4.909 0.000) 4.909 11.591 ( -14.566 -0.186 0.000) 14.567 11.591 ( -14.566 -0.186 0.000) 14.567 11.591 ( 14.566 0.186 0.000) 14.567 11.591 ( 14.566 0.186 0.000) 14.567 12.226 ( -10.691 -1.825 0.000) 10.846 12.226 ( -10.691 -1.825 0.000) 10.846 12.226 ( 10.691 1.825 0.000) 10.846 12.226 ( 10.691 1.825 0.000) 10.846 12.823 ( -7.636 -0.015 0.000) 7.636 12.823 ( -7.636 -0.015 0.000) 7.636 12.823 ( 7.636 0.015 0.000) 7.636 12.823 ( 7.636 0.015 0.000) 7.636 14.153 ( -3.054 -6.706 0.000) 7.368 14.153 ( -3.054 -6.706 0.000) 7.368 14.153 ( 3.054 6.706 0.000) 7.368 14.153 ( 3.054 6.706 0.000) 7.368 14.507 ( -0.052 -6.629 0.000) 6.629 14.507 ( -0.052 -6.629 0.000) 6.629 14.507 ( 0.052 6.629 0.000) 6.629 14.507 ( 0.052 6.629 0.000) 6.629 15.307 ( -3.196 -2.928 0.000) 4.335 15.307 ( -3.196 -2.928 0.000) 4.335 15.307 ( 3.196 2.928 0.000) 4.335 15.307 ( 3.196 2.928 0.000) 4.335 15.485 ( -0.975 -1.013 -0.000) 1.406 15.485 ( -0.975 -1.013 0.000) 1.406 15.485 ( 0.975 1.013 0.000) 1.406 15.485 ( 0.975 1.013 0.000) 1.406 16.828 ( -0.474 -18.998 0.000) 19.004 16.828 ( -0.474 -18.998 0.000) 19.004 16.828 ( 0.474 18.998 0.000) 19.004 16.828 ( 0.474 18.998 0.000) 19.004 18.162 ( -2.495 -0.192 0.000) 2.502 18.162 ( -2.495 -0.192 0.000) 2.502 18.162 ( 2.495 0.192 0.000) 2.502 18.162 ( 2.495 0.192 0.000) 2.503 24.626 ( -1.695 -0.689 0.000) 1.830 24.626 ( -1.695 -0.689 0.000) 1.830 24.626 ( 1.695 0.689 0.000) 1.830 24.626 ( 1.695 0.689 0.000) 1.830 26.602 ( -0.766 -1.306 0.000) 1.514 26.602 ( -0.766 -1.306 0.000) 1.514 26.602 ( 0.766 1.306 0.000) 1.514 26.602 ( 0.766 1.306 0.000) 1.514 28.391 ( -4.627 -0.359 0.000) 4.641 28.391 ( -4.627 -0.359 0.000) 4.641 28.391 ( 4.627 0.359 0.000) 4.641 28.391 ( 4.627 0.359 0.000) 4.641 28.626 ( -1.522 -0.985 0.000) 1.813 28.626 ( -1.522 -0.985 0.000) 1.813 28.626 ( 1.522 0.985 0.000) 1.813 28.626 ( 1.522 0.985 0.000) 1.813 29.143 ( -2.038 -6.148 0.000) 6.477 29.143 ( -2.038 -6.148 0.000) 6.477 29.143 ( 2.038 6.148 0.000) 6.477 29.143 ( 2.038 6.148 0.000) 6.477 30.005 ( -1.008 -4.568 0.000) 4.678 30.005 ( -1.008 -4.568 0.000) 4.678 30.005 ( 1.008 4.568 0.000) 4.678 30.005 ( 1.008 4.568 0.000) 4.678 30.348 ( -1.838 -5.559 0.000) 5.855 30.348 ( -1.838 -5.559 0.000) 5.855 30.348 ( 1.838 5.559 0.000) 5.855 30.348 ( 1.838 5.559 0.000) 5.855 =================== 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 3/31680 10.0 6010.956 5633.819 4689.755 0.000 0.000 -0.000 3/31680 20.0 662.100 609.416 697.726 0.000 0.000 -0.000 3/31680 30.0 202.992 197.833 229.715 0.000 0.000 -0.000 3/31680 40.0 96.230 95.173 111.704 0.000 0.000 -0.000 3/31680 50.0 56.568 56.221 66.466 0.000 0.000 -0.000 3/31680 60.0 37.823 37.683 44.741 0.000 0.000 -0.000 3/31680 70.0 27.547 27.487 32.708 0.000 0.000 -0.000 3/31680 80.0 21.303 21.282 25.344 0.000 0.000 -0.000 3/31680 90.0 17.209 17.209 20.491 0.000 0.000 -0.000 3/31680 100.0 14.363 14.378 17.105 0.000 0.000 -0.000 3/31680 110.0 12.293 12.317 14.635 0.000 0.000 -0.000 3/31680 120.0 10.730 10.762 12.767 0.000 0.000 -0.000 3/31680 130.0 9.514 9.553 11.312 0.000 0.000 -0.000 3/31680 140.0 8.545 8.589 10.151 0.000 0.000 -0.000 3/31680 150.0 7.756 7.805 9.205 0.000 0.000 -0.000 3/31680 160.0 7.102 7.155 8.421 0.000 0.000 -0.000 3/31680 170.0 6.551 6.609 7.762 0.000 0.000 -0.000 3/31680 180.0 6.082 6.143 7.200 0.000 0.000 -0.000 3/31680 190.0 5.678 5.741 6.715 0.000 0.000 -0.000 3/31680 200.0 5.326 5.391 6.294 0.000 0.000 -0.000 3/31680 210.0 5.016 5.084 5.924 0.000 0.000 -0.000 3/31680 220.0 4.742 4.811 5.596 0.000 0.000 -0.000 3/31680 230.0 4.498 4.568 5.304 0.000 0.000 -0.000 3/31680 240.0 4.279 4.350 5.042 0.000 0.000 -0.000 3/31680 250.0 4.081 4.152 4.806 0.000 0.000 -0.000 3/31680 260.0 3.901 3.973 4.591 0.000 0.000 -0.000 3/31680 270.0 3.738 3.809 4.396 0.000 0.000 -0.000 3/31680 280.0 3.588 3.660 4.218 0.000 0.000 -0.000 3/31680 290.0 3.450 3.522 4.053 0.000 0.000 -0.000 3/31680 300.0 3.323 3.394 3.902 0.000 0.000 -0.000 3/31680 310.0 3.206 3.276 3.762 0.000 0.000 -0.000 3/31680 320.0 3.096 3.167 3.633 0.000 0.000 -0.000 3/31680 330.0 2.995 3.065 3.512 0.000 0.000 -0.000 3/31680 340.0 2.900 2.969 3.399 0.000 0.000 -0.000 3/31680 350.0 2.811 2.880 3.294 0.000 0.000 -0.000 3/31680 360.0 2.728 2.796 3.195 0.000 0.000 -0.000 3/31680 370.0 2.650 2.717 3.102 0.000 0.000 -0.000 3/31680 380.0 2.576 2.643 3.015 0.000 0.000 -0.000 3/31680 390.0 2.507 2.572 2.932 0.000 0.000 -0.000 3/31680 400.0 2.441 2.506 2.854 0.000 0.000 -0.000 3/31680 410.0 2.379 2.443 2.781 0.000 0.000 -0.000 3/31680 420.0 2.320 2.383 2.711 0.000 0.000 -0.000 3/31680 430.0 2.264 2.326 2.645 0.000 0.000 -0.000 3/31680 440.0 2.211 2.272 2.582 0.000 0.000 -0.000 3/31680 450.0 2.160 2.220 2.521 0.000 0.000 -0.000 3/31680 460.0 2.112 2.171 2.464 0.000 0.000 -0.000 3/31680 470.0 2.065 2.124 2.410 0.000 0.000 -0.000 3/31680 480.0 2.021 2.079 2.357 0.000 0.000 -0.000 3/31680 490.0 1.979 2.036 2.308 0.000 0.000 -0.000 3/31680 500.0 1.938 1.995 2.260 0.000 0.000 -0.000 3/31680 510.0 1.900 1.955 2.214 0.000 0.000 -0.000 3/31680 520.0 1.862 1.917 2.170 0.000 0.000 -0.000 3/31680 530.0 1.827 1.881 2.128 0.000 0.000 -0.000 3/31680 540.0 1.792 1.846 2.087 0.000 0.000 -0.000 3/31680 550.0 1.759 1.812 2.048 0.000 0.000 -0.000 3/31680 560.0 1.727 1.779 2.011 0.000 0.000 -0.000 3/31680 570.0 1.697 1.748 1.975 0.000 0.000 -0.000 3/31680 580.0 1.667 1.718 1.940 0.000 0.000 -0.000 3/31680 590.0 1.638 1.688 1.906 0.000 0.000 -0.000 3/31680 600.0 1.611 1.660 1.874 0.000 0.000 -0.000 3/31680 610.0 1.584 1.633 1.842 0.000 0.000 -0.000 3/31680 620.0 1.558 1.606 1.812 0.000 0.000 -0.000 3/31680 630.0 1.533 1.581 1.783 0.000 0.000 -0.000 3/31680 640.0 1.509 1.556 1.754 0.000 0.000 -0.000 3/31680 650.0 1.486 1.532 1.727 0.000 0.000 -0.000 3/31680 660.0 1.463 1.509 1.700 0.000 0.000 -0.000 3/31680 670.0 1.441 1.486 1.675 0.000 0.000 -0.000 3/31680 680.0 1.420 1.464 1.650 0.000 0.000 -0.000 3/31680 690.0 1.399 1.443 1.625 0.000 0.000 -0.000 3/31680 700.0 1.379 1.423 1.602 0.000 0.000 -0.000 3/31680 710.0 1.360 1.403 1.579 0.000 0.000 -0.000 3/31680 720.0 1.341 1.383 1.557 0.000 0.000 -0.000 3/31680 730.0 1.322 1.364 1.535 0.000 0.000 -0.000 3/31680 740.0 1.304 1.346 1.514 0.000 0.000 -0.000 3/31680 750.0 1.287 1.328 1.494 0.000 0.000 -0.000 3/31680 760.0 1.270 1.310 1.474 0.000 0.000 -0.000 3/31680 770.0 1.253 1.293 1.454 0.000 0.000 -0.000 3/31680 780.0 1.237 1.277 1.436 0.000 0.000 -0.000 3/31680 790.0 1.221 1.261 1.417 0.000 0.000 -0.000 3/31680 800.0 1.206 1.245 1.399 0.000 0.000 -0.000 3/31680 810.0 1.191 1.230 1.382 0.000 0.000 -0.000 3/31680 820.0 1.177 1.215 1.365 0.000 0.000 -0.000 3/31680 830.0 1.163 1.200 1.348 0.000 0.000 -0.000 3/31680 840.0 1.149 1.186 1.332 0.000 0.000 -0.000 3/31680 850.0 1.135 1.172 1.316 0.000 0.000 -0.000 3/31680 860.0 1.122 1.158 1.301 0.000 0.000 -0.000 3/31680 870.0 1.109 1.145 1.286 0.000 0.000 -0.000 3/31680 880.0 1.096 1.132 1.271 0.000 0.000 -0.000 3/31680 890.0 1.084 1.119 1.257 0.000 0.000 -0.000 3/31680 900.0 1.072 1.107 1.243 0.000 0.000 -0.000 3/31680 910.0 1.060 1.095 1.229 0.000 0.000 -0.000 3/31680 920.0 1.049 1.083 1.216 0.000 0.000 -0.000 3/31680 930.0 1.037 1.071 1.202 0.000 0.000 -0.000 3/31680 940.0 1.026 1.060 1.190 0.000 0.000 -0.000 3/31680 950.0 1.016 1.049 1.177 0.000 0.000 -0.000 3/31680 960.0 1.005 1.038 1.165 0.000 0.000 -0.000 3/31680 970.0 0.995 1.027 1.153 0.000 0.000 -0.000 3/31680 980.0 0.985 1.017 1.141 0.000 0.000 -0.000 3/31680 990.0 0.975 1.007 1.129 0.000 0.000 -0.000 3/31680 1000.0 0.965 0.997 1.118 0.000 0.000 -0.000 3/31680 Thermal conductivity related properties were written into "kappa-m4610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|