----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:34:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): *1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 *9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 *15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 *24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 *33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 *41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 *48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 *55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 *65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 *73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): *1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 > 1 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 > 2 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 > 3 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 > 4 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 > 5 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 > 6 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 > 7 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 > 8 *9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 > 9 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 > 10 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 > 11 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 > 12 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 > 13 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 > 14 *15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 > 15 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 > 16 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 > 17 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 > 18 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 > 19 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 > 20 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 > 21 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 > 22 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 > 23 *24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 > 24 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 > 25 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 > 26 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 > 27 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 > 28 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 > 29 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 > 30 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 > 31 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 > 32 *33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 > 33 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 > 34 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 > 35 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 > 36 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 > 37 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 > 38 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 > 39 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 > 40 *41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 > 41 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 > 42 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 > 43 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 > 44 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 > 45 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 > 46 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 > 47 *48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 > 48 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 > 49 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 > 50 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 > 51 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 > 52 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 > 53 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 > 54 *55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 > 55 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 > 56 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 > 57 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 > 58 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 > 59 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 > 60 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 > 61 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 > 62 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 > 63 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 > 64 *65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 > 65 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 > 66 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 > 67 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 > 68 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 > 69 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 > 70 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 > 71 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 > 72 *73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 > 73 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 > 74 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 > 75 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 > 76 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 > 77 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 > 78 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 > 79 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): *1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 > 1 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 > 2 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 > 3 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 > 4 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 > 5 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 > 6 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 > 7 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 > 8 *9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 > 9 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 > 10 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 > 11 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 > 12 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 > 13 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 > 14 *15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 > 15 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 > 16 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 > 17 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 > 18 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 > 19 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 > 20 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 > 21 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 > 22 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 > 23 *24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 > 24 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 > 25 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 > 26 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 > 27 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 > 28 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 > 29 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 > 30 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 > 31 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 > 32 *33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 > 33 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 > 34 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 > 35 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 > 36 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 > 37 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 > 38 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 > 39 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 > 40 *41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 > 41 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 > 42 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 > 43 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 > 44 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 > 45 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 > 46 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 > 47 *48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 > 48 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 > 49 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 > 50 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 > 51 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 > 52 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 > 53 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 > 54 *55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 > 55 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 > 56 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 > 57 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 > 58 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 > 59 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 > 60 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 > 61 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 > 62 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 > 63 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 > 64 *65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 > 65 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 > 66 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 > 67 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 > 68 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 > 69 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 > 70 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 > 71 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 > 72 *73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 > 73 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 > 74 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 > 75 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 > 76 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 > 77 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 > 78 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 > 79 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0604875 0.0000000 0.0000000 0.0000000 3.0223250 0.0000000 0.0000000 0.0000000 3.0786686 -------------------------- Born effective charges -------------------------- 1 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 2 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 3 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 4 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 5 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 6 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 7 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 8 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 9 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 10 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 11 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 12 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 13 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 14 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 15 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 16 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 17 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 18 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 19 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 20 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 21 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 22 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 23 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 24 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 25 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 26 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 27 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 28 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 29 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 30 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 31 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 32 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 33 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 34 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 35 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 36 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 37 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 38 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 39 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 40 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 41 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 42 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 43 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 44 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 45 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 46 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 47 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 48 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 49 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 50 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 51 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 52 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 53 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 54 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 55 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 56 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 57 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 58 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 59 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 60 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 61 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 62 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 63 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 64 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 65 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 66 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 67 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 68 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 69 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 70 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 71 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 72 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 73 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 74 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 75 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 76 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 77 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 78 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 79 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 80 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 1.285 Solver_block: 200 / 1200 - Time: 0.623 Solver_block: 300 / 1200 - Time: 0.907 Solver_block: 400 / 1200 - Time: 0.883 Solver_block: 500 / 1200 - Time: 0.732 Solver_block: 600 / 1200 - Time: 0.676 Solver_block: 700 / 1200 - Time: 0.738 Solver_block: 800 / 1200 - Time: 0.786 Solver_block: 900 / 1200 - Time: 0.681 Solver_block: 1000 / 1200 - Time: 0.780 Solver_block: 1100 / 1200 - Time: 0.736 Solver_block: 1200 / 1200 - Time: 0.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.144 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:35:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:35:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): 1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): 1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 > 1 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 > 2 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 > 3 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 > 4 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 > 5 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 > 6 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 > 7 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 > 8 9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 > 9 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 > 10 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 > 11 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 > 12 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 > 13 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 > 14 15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 > 15 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 > 16 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 > 17 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 > 18 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 > 19 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 > 20 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 > 21 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 > 22 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 > 23 24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 > 24 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 > 25 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 > 26 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 > 27 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 > 28 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 > 29 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 > 30 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 > 31 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 > 32 33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 > 33 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 > 34 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 > 35 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 > 36 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 > 37 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 > 38 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 > 39 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 > 40 41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 > 41 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 > 42 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 > 43 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 > 44 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 > 45 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 > 46 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 > 47 48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 > 48 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 > 49 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 > 50 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 > 51 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 > 52 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 > 53 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 > 54 55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 > 55 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 > 56 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 > 57 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 > 58 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 > 59 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 > 60 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 > 61 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 > 62 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 > 63 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 > 64 65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 > 65 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 > 66 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 > 67 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 > 68 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 > 69 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 > 70 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 > 71 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 > 72 73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 > 73 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 > 74 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 > 75 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 > 76 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 > 77 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 > 78 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 > 79 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0604875 0.0000000 0.0000000 0.0000000 3.0223250 0.0000000 0.0000000 0.0000000 3.0786686 -------------------------- Born effective charges -------------------------- 1 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 2 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 3 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 4 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 5 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 6 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 7 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 8 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 9 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 10 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 11 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 12 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 13 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 14 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 15 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 16 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 17 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 18 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 19 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 20 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 21 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 22 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 23 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 24 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 25 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 26 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 27 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 28 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 29 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 30 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 31 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 32 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 33 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 34 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 35 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 36 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 37 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 38 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 39 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 40 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 41 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 42 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 43 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 44 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 45 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 46 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 47 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 48 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 49 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 50 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 51 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 52 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 53 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 54 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 55 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 56 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 57 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 58 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 59 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 60 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 61 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 62 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 63 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 64 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 65 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 66 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 67 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 68 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 69 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 70 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 71 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 72 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 73 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 74 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 75 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 76 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 77 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 78 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 79 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 80 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 ---------------------------------------------------------------------------- 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[ 15, 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[ 24, 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[ 41, 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[ 48, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 00:35:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:35:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): 1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.965534950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.733963119999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.517583169999998 Atomic positions (fractional): 1 O 0.29071303227827 0.29038304597372 0.12951578696020 15.999 > 1 2 O 0.79071303227827 0.20961695402628 0.87048421303981 15.999 > 2 3 O 0.20928696772173 0.70961695402628 0.62951578696019 15.999 > 3 4 O 0.70928696772173 0.79038304597372 0.37048421303980 15.999 > 4 5 O 0.70928696772173 0.70961695402628 0.87048421303981 15.999 > 5 6 O 0.20928696772173 0.79038304597372 0.12951578696020 15.999 > 6 7 O 0.79071303227827 0.29038304597372 0.37048421303980 15.999 > 7 8 O 0.29071303227827 0.20961695402628 0.62951578696019 15.999 > 8 9 O 0.70173404639317 0.86374504191470 0.63287999959252 15.999 > 9 10 O 0.20173404639317 0.63625495808530 0.36712000040748 15.999 > 10 11 O 0.20173404639317 0.86374504191470 0.86712000040748 15.999 > 11 12 O 0.70173404639317 0.63625495808530 0.13287999959252 15.999 > 12 13 O 0.29826595360683 0.13625495808530 0.36712000040748 15.999 > 13 14 O 0.79826595360683 0.36374504191470 0.63287999959252 15.999 > 14 15 O 0.38739839878383 0.37406019491147 0.46426712076664 15.999 > 15 16 O 0.88739839878383 0.12593980508853 0.53573287923336 15.999 > 16 17 O 0.11260160121617 0.62593980508853 0.96426712076664 15.999 > 17 18 O 0.61260160121617 0.87406019491147 0.03573287923336 15.999 > 18 19 O 0.61260160121617 0.62593980508853 0.53573287923336 15.999 > 19 20 O 0.11260160121617 0.87406019491147 0.46426712076664 15.999 > 20 21 O 0.79826595360683 0.13625495808530 0.13287999959252 15.999 > 21 22 O 0.88739839878383 0.37406019491147 0.03573287923336 15.999 > 22 23 O 0.38739839878383 0.12593980508853 0.96426712076664 15.999 > 23 24 O 0.33521313056935 0.04938465033512 0.61382118763174 15.999 > 24 25 O 0.83521313056935 0.45061534966488 0.38617881236826 15.999 > 25 26 O 0.16478686943065 0.95061534966489 0.11382118763174 15.999 > 26 27 O 0.66478686943065 0.54938465033511 0.88617881236826 15.999 > 27 28 O 0.66478686943065 0.95061534966489 0.38617881236826 15.999 > 28 29 O 0.16478686943065 0.54938465033511 0.61382118763174 15.999 > 29 30 O 0.83521313056935 0.04938465033512 0.88617881236826 15.999 > 30 31 O 0.33521313056935 0.45061534966488 0.11382118763174 15.999 > 31 32 O 0.29826595360683 0.36374504191470 0.86712000040748 15.999 > 32 33 Na 0.43620938531693 0.25247063246837 0.92825723753630 22.990 > 33 34 Na 0.93620938531693 0.24752936753163 0.07174276246370 22.990 > 34 35 Na 0.06379061468307 0.74752936753163 0.42825723753630 22.990 > 35 36 Na 0.56379061468307 0.75247063246837 0.57174276246370 22.990 > 36 37 Na 0.56379061468307 0.74752936753163 0.07174276246370 22.990 > 37 38 Na 0.06379061468307 0.75247063246837 0.92825723753630 22.990 > 38 39 Na 0.93620938531693 0.25247063246837 0.57174276246370 22.990 > 39 40 Na 0.43620938531693 0.24752936753163 0.42825723753630 22.990 > 40 41 Na 0.42289571354349 0.32214733048399 0.67595947345628 22.990 > 41 42 Na 0.57710428645651 0.82214733048399 0.82404052654372 22.990 > 42 43 Na 0.07710428645651 0.67785266951601 0.17595947345628 22.990 > 43 44 Na 0.07710428645651 0.82214733048399 0.67595947345628 22.990 > 44 45 Na 0.57710428645651 0.67785266951601 0.32404052654372 22.990 > 45 46 Na 0.42289571354349 0.17785266951601 0.17595947345628 22.990 > 46 47 Na 0.92289571354349 0.32214733048399 0.82404052654372 22.990 > 47 48 Na 0.60911495730730 0.35428036600208 0.19519340580951 22.990 > 48 49 Na 0.10911495730730 0.14571963399792 0.80480659419049 22.990 > 49 50 Na 0.89088504269270 0.64571963399792 0.69519340580951 22.990 > 50 51 Na 0.39088504269270 0.64571963399792 0.80480659419049 22.990 > 51 52 Na 0.89088504269270 0.85428036600208 0.19519340580951 22.990 > 52 53 Na 0.10911495730730 0.35428036600208 0.30480659419049 22.990 > 53 54 Na 0.60911495730730 0.14571963399792 0.69519340580951 22.990 > 54 55 Na 0.90428360192091 0.56692489857472 0.44410855152573 22.990 > 55 56 Na 0.40428360192091 0.93307510142528 0.55589144847427 22.990 > 56 57 Na 0.59571639807909 0.43307510142528 0.94410855152573 22.990 > 57 58 Na 0.09571639807909 0.06692489857472 0.05589144847427 22.990 > 58 59 Na 0.09571639807909 0.43307510142528 0.55589144847427 22.990 > 59 60 Na 0.59571639807909 0.06692489857472 0.44410855152573 22.990 > 60 61 Na 0.40428360192091 0.56692489857472 0.05589144847427 22.990 > 61 62 Na 0.90428360192091 0.93307510142528 0.94410855152573 22.990 > 62 63 Na 0.92289571354349 0.17785266951601 0.32404052654372 22.990 > 63 64 Na 0.39088504269270 0.85428036600208 0.30480659419049 22.990 > 64 65 K 0.40880254531229 0.50296330033480 0.34382729471571 39.098 > 65 66 K 0.90880254531229 0.99703669966520 0.65617270528429 39.098 > 66 67 K 0.09119745468771 0.49703669966520 0.84382729471571 39.098 > 67 68 K 0.59119745468771 0.00296330033480 0.15617270528429 39.098 > 68 69 K 0.59119745468771 0.49703669966520 0.65617270528429 39.098 > 69 70 K 0.09119745468771 0.00296330033480 0.34382729471571 39.098 > 70 71 K 0.90880254531229 0.50296330033480 0.15617270528429 39.098 > 71 72 K 0.40880254531229 0.99703669966520 0.84382729471571 39.098 > 72 73 Ga 0.70024131997007 0.37164193373103 0.46277036169208 69.723 > 73 74 Ga 0.20024131997007 0.12835806626897 0.53722963830792 69.723 > 74 75 Ga 0.79975868002993 0.62835806626897 0.96277036169208 69.723 > 75 76 Ga 0.29975868002993 0.87164193373103 0.03722963830792 69.723 > 76 77 Ga 0.29975868002993 0.62835806626897 0.53722963830792 69.723 > 77 78 Ga 0.79975868002993 0.87164193373103 0.46277036169208 69.723 > 78 79 Ga 0.20024131997007 0.37164193373103 0.03722963830792 69.723 > 79 80 Ga 0.70024131997007 0.12835806626897 0.96277036169208 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0604875 0.0000000 0.0000000 0.0000000 3.0223250 0.0000000 0.0000000 0.0000000 3.0786686 -------------------------- Born effective charges -------------------------- 1 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 2 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 3 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 4 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 5 O -1.5682677 0.2279868 -0.1076650 0.2033747 -2.0196517 0.2619354 -0.1312163 0.3408049 -1.7406602 6 O -1.5682677 -0.2279868 0.1076650 -0.2033747 -2.0196517 0.2619354 0.1312163 0.3408049 -1.7406602 7 O -1.5682677 0.2279868 0.1076650 0.2033747 -2.0196517 -0.2619354 0.1312163 -0.3408049 -1.7406602 8 O -1.5682677 -0.2279868 -0.1076650 -0.2033747 -2.0196517 -0.2619354 -0.1312163 -0.3408049 -1.7406602 9 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 10 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 11 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 12 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 13 O -1.5952048 -0.0450534 0.2314961 -0.0365188 -1.6129884 0.0620370 0.2505551 0.0799091 -2.3080219 14 O -1.5952048 0.0450534 -0.2314961 0.0365188 -1.6129884 0.0620370 -0.2505551 0.0799091 -2.3080219 15 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 16 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 17 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 18 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 19 O -2.3387433 0.0477688 -0.0117368 0.0430554 -1.5689984 0.0489325 -0.0284330 0.0040842 -1.5043512 20 O -2.3387433 -0.0477688 0.0117368 -0.0430554 -1.5689984 0.0489325 0.0284330 0.0040842 -1.5043512 21 O -1.5952048 -0.0450534 -0.2314961 -0.0365188 -1.6129884 -0.0620370 -0.2505551 -0.0799091 -2.3080219 22 O -2.3387433 0.0477688 0.0117368 0.0430554 -1.5689984 -0.0489325 0.0284330 -0.0040842 -1.5043512 23 O -2.3387433 -0.0477688 -0.0117368 -0.0430554 -1.5689984 -0.0489325 -0.0284330 -0.0040842 -1.5043512 24 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 25 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 26 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 27 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 28 O -1.7504192 0.2027472 -0.1451641 0.2608954 -2.0221990 0.2834131 -0.1750230 0.2809070 -1.7566912 29 O -1.7504192 -0.2027472 0.1451641 -0.2608954 -2.0221990 0.2834131 0.1750230 0.2809070 -1.7566912 30 O -1.7504192 0.2027472 0.1451641 0.2608954 -2.0221990 -0.2834131 0.1750230 -0.2809070 -1.7566912 31 O -1.7504192 -0.2027472 -0.1451641 -0.2608954 -2.0221990 -0.2834131 -0.1750230 -0.2809070 -1.7566912 32 O -1.5952048 0.0450534 0.2314961 0.0365188 -1.6129884 -0.0620370 0.2505551 -0.0799091 -2.3080219 33 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 34 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 35 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 36 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 37 Na 0.9515203 -0.1075019 0.0085273 -0.0934350 1.0745394 0.1196466 -0.0020537 0.0708552 0.9159103 38 Na 0.9515203 0.1075019 -0.0085273 0.0934350 1.0745394 0.1196466 0.0020537 0.0708552 0.9159103 39 Na 0.9515203 -0.1075019 -0.0085273 -0.0934350 1.0745394 -0.1196466 0.0020537 -0.0708552 0.9159103 40 Na 0.9515203 0.1075019 0.0085273 0.0934350 1.0745394 -0.1196466 -0.0020537 -0.0708552 0.9159103 41 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 42 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 43 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 44 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 45 Na 0.9500815 0.0419515 -0.0866372 0.0484783 1.0077396 -0.0510930 -0.0453244 0.0025312 1.0724155 46 Na 0.9500815 -0.0419515 -0.0866372 -0.0484783 1.0077396 0.0510930 -0.0453244 -0.0025312 1.0724155 47 Na 0.9500815 0.0419515 0.0866372 0.0484783 1.0077396 0.0510930 0.0453244 -0.0025312 1.0724155 48 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 49 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 50 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 51 Na 1.0583776 -0.0202078 0.0313988 -0.0068101 0.8299276 0.0134214 0.0757624 -0.0001193 1.0996582 52 Na 1.0583776 0.0202078 -0.0313988 0.0068101 0.8299276 0.0134214 -0.0757624 -0.0001193 1.0996582 53 Na 1.0583776 -0.0202078 -0.0313988 -0.0068101 0.8299276 -0.0134214 -0.0757624 0.0001193 1.0996582 54 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 55 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 56 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 57 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 58 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 59 Na 1.0432866 0.0246723 0.0205106 0.0475802 0.9717249 0.0610257 0.0510907 0.0237003 0.8883454 60 Na 1.0432866 -0.0246723 -0.0205106 -0.0475802 0.9717249 0.0610257 -0.0510907 0.0237003 0.8883454 61 Na 1.0432866 0.0246723 -0.0205106 0.0475802 0.9717249 -0.0610257 -0.0510907 -0.0237003 0.8883454 62 Na 1.0432866 -0.0246723 0.0205106 -0.0475802 0.9717249 -0.0610257 0.0510907 -0.0237003 0.8883454 63 Na 0.9500815 -0.0419515 0.0866372 -0.0484783 1.0077396 -0.0510930 0.0453244 0.0025312 1.0724155 64 Na 1.0583776 0.0202078 0.0313988 0.0068101 0.8299276 -0.0134214 0.0757624 0.0001193 1.0996582 65 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 66 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 67 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 68 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 69 K 1.0327516 -0.1005878 0.0497719 -0.0787701 1.1907252 0.0982383 0.0052483 0.0593757 1.1263636 70 K 1.0327516 0.1005878 -0.0497719 0.0787701 1.1907252 0.0982383 -0.0052483 0.0593757 1.1263636 71 K 1.0327516 -0.1005878 -0.0497719 -0.0787701 1.1907252 -0.0982383 -0.0052483 -0.0593757 1.1263636 72 K 1.0327516 0.1005878 0.0497719 0.0787701 1.1907252 -0.0982383 0.0052483 -0.0593757 1.1263636 73 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 74 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 75 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 76 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 77 Ga 2.2166175 -0.0173970 -0.0231407 0.0183887 2.1491808 -0.0172702 -0.0270838 -0.0098263 2.2070314 78 Ga 2.2166175 0.0173970 0.0231407 -0.0183887 2.1491808 -0.0172702 0.0270838 -0.0098263 2.2070314 79 Ga 2.2166175 -0.0173970 0.0231407 0.0183887 2.1491808 0.0172702 0.0270838 0.0098263 2.2070314 80 Ga 2.2166175 0.0173970 -0.0231407 -0.0183887 2.1491808 0.0172702 -0.0270838 0.0098263 2.2070314 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 5 ] 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: 0.39, Number of G-points: 303, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.792 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.333 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.974 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 15.583 ( 0.000 0.000 0.000) 0.000 15.586 ( 0.000 0.000 0.000) 0.000 15.770 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 15.951 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 16.613 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.806 ( 0.000 0.000 0.000) 0.000 16.843 ( 0.000 0.000 0.000) 0.000 16.862 ( 0.000 0.000 0.000) 0.000 16.915 ( 0.000 0.000 0.000) 0.000 16.995 ( 0.000 0.000 0.000) 0.000 17.010 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 0.000 0.000) 0.000 17.612 ( 0.000 0.000 0.000) 0.000 17.826 ( 0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 18.042 ( 0.000 0.000 0.000) 0.000 18.120 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.126 ( 0.000 0.000 0.000) 0.000 18.127 ( 0.000 0.000 0.000) 0.000 18.229 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 21.337 0.000 0.000) 21.337 0.466 ( 22.315 0.000 0.000) 22.315 0.723 ( 35.183 0.000 0.000) 35.183 1.443 ( 11.645 0.000 0.000) 11.645 1.527 ( 3.625 0.000 0.000) 3.625 1.664 ( 11.988 0.000 0.000) 11.988 1.676 ( -1.295 0.000 0.000) 1.295 1.683 ( 8.627 0.000 0.000) 8.627 2.056 ( -4.391 0.000 0.000) 4.391 2.146 ( -3.031 0.000 0.000) 3.031 2.157 ( 3.030 0.000 0.000) 3.030 2.269 ( 11.542 0.000 0.000) 11.542 2.434 ( 1.024 0.000 0.000) 1.024 2.515 ( -3.927 0.000 0.000) 3.927 2.553 ( -2.725 0.000 0.000) 2.725 2.637 ( 1.064 0.000 0.000) 1.064 2.638 ( 2.195 0.000 0.000) 2.195 2.649 ( -3.971 0.000 0.000) 3.971 2.748 ( -6.632 0.000 0.000) 6.632 2.780 ( 0.350 0.000 0.000) 0.350 2.821 ( 1.318 0.000 0.000) 1.318 2.858 ( 1.551 0.000 0.000) 1.551 2.943 ( 0.512 0.000 0.000) 0.512 3.001 ( -3.375 0.000 0.000) 3.375 3.056 ( 3.969 0.000 0.000) 3.969 3.061 ( 1.722 0.000 0.000) 1.722 3.132 ( -3.380 0.000 0.000) 3.380 3.155 ( 2.784 0.000 0.000) 2.784 3.196 ( -2.174 0.000 0.000) 2.174 3.285 ( 2.169 0.000 0.000) 2.169 3.285 ( 3.606 0.000 0.000) 3.606 3.320 ( 0.981 0.000 0.000) 0.981 3.345 ( -2.506 0.000 0.000) 2.506 3.448 ( 2.413 0.000 0.000) 2.413 3.460 ( -0.874 0.000 0.000) 0.874 3.496 ( 8.061 0.000 0.000) 8.061 3.591 ( 1.657 0.000 0.000) 1.657 3.614 ( 9.864 0.000 0.000) 9.864 3.686 ( -4.653 0.000 0.000) 4.653 3.694 ( -2.825 0.000 0.000) 2.825 3.695 ( -2.647 0.000 0.000) 2.647 3.695 ( -4.118 0.000 0.000) 4.118 3.724 ( -5.544 0.000 0.000) 5.544 3.745 ( -3.376 0.000 0.000) 3.376 3.811 ( 1.946 0.000 0.000) 1.946 3.847 ( -3.713 0.000 0.000) 3.713 3.859 ( -1.898 0.000 0.000) 1.898 3.993 ( -1.210 0.000 0.000) 1.210 4.064 ( 7.051 0.000 0.000) 7.051 4.091 ( 4.604 0.000 0.000) 4.604 4.102 ( 5.349 0.000 0.000) 5.349 4.114 ( 0.225 0.000 0.000) 0.225 4.191 ( 5.542 0.000 0.000) 5.542 4.205 ( -0.712 0.000 0.000) 0.712 4.254 ( -0.537 0.000 0.000) 0.537 4.302 ( 2.881 0.000 0.000) 2.881 4.318 ( -3.004 0.000 0.000) 3.004 4.324 ( 3.236 0.000 0.000) 3.236 4.402 ( -1.338 0.000 0.000) 1.338 4.489 ( -4.353 0.000 0.000) 4.353 4.528 ( 2.927 0.000 0.000) 2.927 4.534 ( -4.322 0.000 0.000) 4.322 4.577 ( -2.622 0.000 0.000) 2.622 4.600 ( 0.663 0.000 0.000) 0.663 4.621 ( -0.378 0.000 0.000) 0.378 4.661 ( -1.655 0.000 0.000) 1.655 4.682 ( -1.567 0.000 0.000) 1.567 4.752 ( -2.729 0.000 0.000) 2.729 4.840 ( 2.711 0.000 0.000) 2.711 4.871 ( -6.813 0.000 0.000) 6.813 4.968 ( 4.505 0.000 0.000) 4.505 4.969 ( -1.291 0.000 0.000) 1.291 4.974 ( 4.396 0.000 0.000) 4.396 5.001 ( -5.883 0.000 0.000) 5.883 5.064 ( 4.506 0.000 0.000) 4.506 5.071 ( 5.277 0.000 0.000) 5.277 5.136 ( 2.954 0.000 0.000) 2.954 5.201 ( 5.127 0.000 0.000) 5.127 5.265 ( -2.287 0.000 0.000) 2.287 5.276 ( -6.176 0.000 0.000) 6.176 5.293 ( 1.446 0.000 0.000) 1.446 5.294 ( -2.779 0.000 0.000) 2.779 5.303 ( 4.642 0.000 0.000) 4.642 5.403 ( -6.872 0.000 0.000) 6.872 5.404 ( -6.909 0.000 0.000) 6.909 5.408 ( -6.937 0.000 0.000) 6.937 5.588 ( -2.063 0.000 0.000) 2.063 5.604 ( -2.365 0.000 0.000) 2.365 5.743 ( -10.570 0.000 0.000) 10.570 5.778 ( -3.702 0.000 0.000) 3.702 5.779 ( 3.767 0.000 0.000) 3.767 5.794 ( -0.040 0.000 0.000) 0.040 5.846 ( -2.092 0.000 0.000) 2.092 5.888 ( -4.320 0.000 0.000) 4.320 5.926 ( 2.889 0.000 0.000) 2.889 5.988 ( -3.115 0.000 0.000) 3.115 6.014 ( 2.034 0.000 0.000) 2.034 6.076 ( 0.280 0.000 0.000) 0.280 6.077 ( 0.257 0.000 0.000) 0.257 6.124 ( -3.309 0.000 0.000) 3.309 6.162 ( 1.638 0.000 0.000) 1.638 6.164 ( 4.794 0.000 0.000) 4.794 6.171 ( -2.801 0.000 0.000) 2.801 6.226 ( 1.054 0.000 0.000) 1.054 6.254 ( -6.058 0.000 0.000) 6.058 6.337 ( -7.128 0.000 0.000) 7.128 6.341 ( -3.156 0.000 0.000) 3.156 6.382 ( 4.224 0.000 0.000) 4.224 6.386 ( -2.264 0.000 0.000) 2.264 6.439 ( 1.550 0.000 0.000) 1.550 6.483 ( -5.375 0.000 0.000) 5.375 6.485 ( 3.484 0.000 0.000) 3.484 6.522 ( 1.100 0.000 0.000) 1.100 6.529 ( -2.527 0.000 0.000) 2.527 6.564 ( -9.063 0.000 0.000) 9.063 6.705 ( 5.717 0.000 0.000) 5.717 6.721 ( 1.062 0.000 0.000) 1.062 6.730 ( 3.614 0.000 0.000) 3.614 6.812 ( -1.508 0.000 0.000) 1.508 6.814 ( 2.247 0.000 0.000) 2.247 6.880 ( 2.580 0.000 0.000) 2.580 6.889 ( 1.340 0.000 0.000) 1.340 6.908 ( -0.149 0.000 0.000) 0.149 6.962 ( 2.369 0.000 0.000) 2.369 6.988 ( 1.244 0.000 0.000) 1.244 7.008 ( -2.788 0.000 0.000) 2.788 7.017 ( -4.736 0.000 0.000) 4.736 7.035 ( 0.020 0.000 0.000) 0.020 7.096 ( 0.552 0.000 0.000) 0.552 7.141 ( 2.225 0.000 0.000) 2.225 7.156 ( 5.375 0.000 0.000) 5.375 7.218 ( 4.421 0.000 0.000) 4.421 7.235 ( 1.407 0.000 0.000) 1.407 7.238 ( -0.616 0.000 0.000) 0.616 7.257 ( 6.860 0.000 0.000) 6.860 7.274 ( 3.163 0.000 0.000) 3.163 7.293 ( 2.784 0.000 0.000) 2.784 7.332 ( -3.214 0.000 0.000) 3.214 7.420 ( -2.760 0.000 0.000) 2.760 7.423 ( -0.365 0.000 0.000) 0.365 7.465 ( 2.335 0.000 0.000) 2.335 7.481 ( 4.025 0.000 0.000) 4.025 7.515 ( 1.936 0.000 0.000) 1.936 7.575 ( 3.904 0.000 0.000) 3.904 7.580 ( 1.894 0.000 0.000) 1.894 7.635 ( -1.077 0.000 0.000) 1.077 7.635 ( 2.964 0.000 0.000) 2.964 7.644 ( 7.745 0.000 0.000) 7.745 7.781 ( 1.099 0.000 0.000) 1.099 7.793 ( 2.918 0.000 0.000) 2.918 7.858 ( -0.684 0.000 0.000) 0.684 7.912 ( -0.873 0.000 0.000) 0.873 7.915 ( 0.282 0.000 0.000) 0.282 7.919 ( 3.749 0.000 0.000) 3.749 7.924 ( -0.463 0.000 0.000) 0.463 7.945 ( 0.894 0.000 0.000) 0.894 7.954 ( 4.963 0.000 0.000) 4.963 8.105 ( 1.648 0.000 0.000) 1.648 8.224 ( -0.845 0.000 0.000) 0.845 8.291 ( -7.441 0.000 0.000) 7.441 8.367 ( -2.190 0.000 0.000) 2.190 8.377 ( -4.067 0.000 0.000) 4.067 8.433 ( 4.587 0.000 0.000) 4.587 8.476 ( -0.032 0.000 0.000) 0.032 8.569 ( 1.460 0.000 0.000) 1.460 8.589 ( -0.265 0.000 0.000) 0.265 8.702 ( 4.376 0.000 0.000) 4.376 8.773 ( -1.431 0.000 0.000) 1.431 9.014 ( 2.891 0.000 0.000) 2.891 9.043 ( -0.115 0.000 0.000) 0.115 9.069 ( -0.091 0.000 0.000) 0.091 9.072 ( 0.439 0.000 0.000) 0.439 9.119 ( 0.570 0.000 0.000) 0.570 9.181 ( -5.243 0.000 0.000) 5.243 9.197 ( -1.076 0.000 0.000) 1.076 9.318 ( 4.239 0.000 0.000) 4.239 9.396 ( -0.281 0.000 0.000) 0.281 9.409 ( -1.261 0.000 0.000) 1.261 9.440 ( 0.578 0.000 0.000) 0.578 9.469 ( 0.917 0.000 0.000) 0.917 9.539 ( -0.604 0.000 0.000) 0.604 9.562 ( -3.555 0.000 0.000) 3.555 9.569 ( 4.712 0.000 0.000) 4.712 9.576 ( 1.652 0.000 0.000) 1.652 9.700 ( -2.554 0.000 0.000) 2.554 9.705 ( 0.637 0.000 0.000) 0.637 9.706 ( 1.723 0.000 0.000) 1.723 9.845 ( 3.762 0.000 0.000) 3.762 9.876 ( 0.269 0.000 0.000) 0.269 9.937 ( -1.042 0.000 0.000) 1.042 10.038 ( -1.591 0.000 0.000) 1.591 10.113 ( 0.569 0.000 0.000) 0.569 10.123 ( -2.115 0.000 0.000) 2.115 10.277 ( 2.718 0.000 0.000) 2.718 10.377 ( 0.215 0.000 0.000) 0.215 10.382 ( 3.627 0.000 0.000) 3.627 10.621 ( 1.661 0.000 0.000) 1.661 10.804 ( -6.156 0.000 0.000) 6.156 10.825 ( -0.977 0.000 0.000) 0.977 10.902 ( -4.840 0.000 0.000) 4.840 10.942 ( -3.602 0.000 0.000) 3.602 11.037 ( -1.138 0.000 0.000) 1.138 11.199 ( -2.659 0.000 0.000) 2.659 11.316 ( -6.534 0.000 0.000) 6.534 11.519 ( -6.917 0.000 0.000) 6.917 11.691 ( -7.331 0.000 0.000) 7.331 11.691 ( -11.509 0.000 0.000) 11.509 11.813 ( -7.035 0.000 0.000) 7.035 15.594 ( 1.095 0.000 0.000) 1.095 15.602 ( 1.393 0.000 0.000) 1.393 15.765 ( -0.012 0.000 0.000) 0.012 15.923 ( -1.250 0.000 0.000) 1.250 15.956 ( 1.676 0.000 0.000) 1.676 15.988 ( -2.564 0.000 0.000) 2.564 16.011 ( 5.105 0.000 0.000) 5.105 16.095 ( 2.821 0.000 0.000) 2.821 16.104 ( 0.906 0.000 0.000) 0.906 16.239 ( -2.093 0.000 0.000) 2.093 16.365 ( 1.222 0.000 0.000) 1.222 16.448 ( -10.615 0.000 0.000) 10.615 16.678 ( 5.080 0.000 0.000) 5.080 16.807 ( 0.217 0.000 0.000) 0.217 16.809 ( -1.008 0.000 0.000) 1.008 16.856 ( -0.424 0.000 0.000) 0.424 16.966 ( 0.995 0.000 0.000) 0.995 17.005 ( 0.941 0.000 0.000) 0.941 17.020 ( 0.861 0.000 0.000) 0.861 17.124 ( -5.542 0.000 0.000) 5.542 17.513 ( -8.985 0.000 0.000) 8.985 17.554 ( -8.279 0.000 0.000) 8.279 17.874 ( -9.101 0.000 0.000) 9.101 17.929 ( -8.808 0.000 0.000) 8.808 18.074 ( 2.031 0.000 0.000) 2.031 18.111 ( -0.404 0.000 0.000) 0.404 18.122 ( 0.009 0.000 0.000) 0.009 18.143 ( 1.162 0.000 0.000) 1.162 18.143 ( 1.142 0.000 0.000) 1.142 18.210 ( -2.149 0.000 0.000) 2.149 18.220 ( -0.469 0.000 0.000) 0.469 18.495 ( -4.275 0.000 0.000) 4.275 ======================= Grid point 2 (3/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 19.037 0.000 0.000) 19.037 0.933 ( 22.185 0.000 0.000) 22.185 1.417 ( 28.952 0.000 0.000) 28.952 1.653 ( 8.413 0.000 0.000) 8.413 1.744 ( 15.212 0.000 0.000) 15.212 1.746 ( 7.821 0.000 0.000) 7.821 1.900 ( -7.860 0.000 0.000) 7.860 1.919 ( 8.512 0.000 0.000) 8.512 1.920 ( 13.425 0.000 0.000) 13.425 2.103 ( 2.246 0.000 0.000) 2.246 2.219 ( -0.160 0.000 0.000) 0.160 2.447 ( 0.214 0.000 0.000) 0.214 2.487 ( 2.129 0.000 0.000) 2.129 2.490 ( 3.946 0.000 0.000) 3.946 2.493 ( 1.777 0.000 0.000) 1.777 2.559 ( -4.921 0.000 0.000) 4.921 2.657 ( 1.413 0.000 0.000) 1.413 2.666 ( -0.451 0.000 0.000) 0.451 2.732 ( -3.676 0.000 0.000) 3.676 2.736 ( 5.672 0.000 0.000) 5.672 2.846 ( 1.348 0.000 0.000) 1.348 2.852 ( -10.954 0.000 0.000) 10.954 2.886 ( -2.364 0.000 0.000) 2.364 2.963 ( 1.444 0.000 0.000) 1.444 3.059 ( -1.698 0.000 0.000) 1.698 3.072 ( -1.241 0.000 0.000) 1.241 3.086 ( -1.853 0.000 0.000) 1.853 3.174 ( 0.643 0.000 0.000) 0.643 3.178 ( 2.345 0.000 0.000) 2.345 3.311 ( -0.208 0.000 0.000) 0.208 3.329 ( 0.818 0.000 0.000) 0.818 3.331 ( -1.413 0.000 0.000) 1.413 3.379 ( -5.530 0.000 0.000) 5.530 3.482 ( 11.911 0.000 0.000) 11.911 3.482 ( 0.469 0.000 0.000) 0.469 3.564 ( -5.079 0.000 0.000) 5.079 3.581 ( -7.622 0.000 0.000) 7.622 3.594 ( -2.219 0.000 0.000) 2.219 3.599 ( -4.792 0.000 0.000) 4.792 3.606 ( -2.093 0.000 0.000) 2.093 3.611 ( -0.394 0.000 0.000) 0.394 3.675 ( 0.891 0.000 0.000) 0.891 3.729 ( 1.926 0.000 0.000) 1.926 3.734 ( -2.960 0.000 0.000) 2.960 3.857 ( 1.517 0.000 0.000) 1.517 3.874 ( 11.794 0.000 0.000) 11.794 3.896 ( 4.696 0.000 0.000) 4.696 3.997 ( 1.706 0.000 0.000) 1.706 4.084 ( -2.233 0.000 0.000) 2.233 4.162 ( 1.271 0.000 0.000) 1.271 4.173 ( 0.855 0.000 0.000) 0.855 4.191 ( 3.953 0.000 0.000) 3.953 4.221 ( 2.653 0.000 0.000) 2.653 4.238 ( -2.109 0.000 0.000) 2.109 4.273 ( -0.990 0.000 0.000) 0.990 4.295 ( 2.494 0.000 0.000) 2.494 4.339 ( -2.326 0.000 0.000) 2.326 4.364 ( 2.748 0.000 0.000) 2.748 4.379 ( -0.356 0.000 0.000) 0.356 4.468 ( -0.854 0.000 0.000) 0.854 4.512 ( 6.548 0.000 0.000) 6.548 4.529 ( -5.450 0.000 0.000) 5.450 4.537 ( -1.529 0.000 0.000) 1.529 4.561 ( -3.928 0.000 0.000) 3.928 4.632 ( 3.177 0.000 0.000) 3.177 4.672 ( -2.150 0.000 0.000) 2.150 4.678 ( 6.031 0.000 0.000) 6.031 4.704 ( -1.389 0.000 0.000) 1.389 4.766 ( -0.034 0.000 0.000) 0.034 4.874 ( 0.722 0.000 0.000) 0.722 4.879 ( -6.094 0.000 0.000) 6.094 4.920 ( -3.715 0.000 0.000) 3.715 4.992 ( -1.275 0.000 0.000) 1.275 5.070 ( 3.834 0.000 0.000) 3.834 5.077 ( -5.750 0.000 0.000) 5.750 5.132 ( 2.011 0.000 0.000) 2.011 5.151 ( -0.180 0.000 0.000) 0.180 5.164 ( -4.705 0.000 0.000) 4.705 5.226 ( -4.534 0.000 0.000) 4.534 5.245 ( -5.524 0.000 0.000) 5.524 5.291 ( -2.996 0.000 0.000) 2.996 5.293 ( 5.026 0.000 0.000) 5.026 5.323 ( -1.937 0.000 0.000) 1.937 5.344 ( 4.605 0.000 0.000) 4.605 5.365 ( 10.791 0.000 0.000) 10.791 5.377 ( -0.900 0.000 0.000) 0.900 5.489 ( -10.871 0.000 0.000) 10.871 5.541 ( -1.511 0.000 0.000) 1.511 5.583 ( -1.894 0.000 0.000) 1.894 5.712 ( -0.957 0.000 0.000) 0.957 5.766 ( -5.578 0.000 0.000) 5.578 5.791 ( -1.888 0.000 0.000) 1.888 5.800 ( -2.936 0.000 0.000) 2.936 5.802 ( 0.947 0.000 0.000) 0.947 5.895 ( -5.212 0.000 0.000) 5.212 5.994 ( 4.375 0.000 0.000) 4.375 6.044 ( -4.485 0.000 0.000) 4.485 6.049 ( -2.946 0.000 0.000) 2.946 6.065 ( -1.952 0.000 0.000) 1.952 6.086 ( 1.824 0.000 0.000) 1.824 6.101 ( -3.407 0.000 0.000) 3.407 6.163 ( -5.580 0.000 0.000) 5.580 6.191 ( 3.563 0.000 0.000) 3.563 6.221 ( -0.569 0.000 0.000) 0.569 6.238 ( -0.968 0.000 0.000) 0.968 6.272 ( 3.720 0.000 0.000) 3.720 6.283 ( -2.069 0.000 0.000) 2.069 6.332 ( -7.679 0.000 0.000) 7.679 6.352 ( -0.393 0.000 0.000) 0.393 6.363 ( -4.205 0.000 0.000) 4.205 6.443 ( -0.635 0.000 0.000) 0.635 6.467 ( -0.135 0.000 0.000) 0.135 6.475 ( -2.149 0.000 0.000) 2.149 6.562 ( 3.100 0.000 0.000) 3.100 6.586 ( 2.898 0.000 0.000) 2.898 6.705 ( -1.676 0.000 0.000) 1.676 6.769 ( -1.086 0.000 0.000) 1.086 6.796 ( 2.582 0.000 0.000) 2.582 6.800 ( 0.888 0.000 0.000) 0.888 6.886 ( 4.748 0.000 0.000) 4.748 6.890 ( -0.243 0.000 0.000) 0.243 6.907 ( -0.073 0.000 0.000) 0.073 6.918 ( -4.559 0.000 0.000) 4.559 6.936 ( -3.897 0.000 0.000) 3.897 6.986 ( 7.828 0.000 0.000) 7.828 6.993 ( 0.779 0.000 0.000) 0.779 7.004 ( 0.946 0.000 0.000) 0.946 7.069 ( 1.309 0.000 0.000) 1.309 7.152 ( 3.985 0.000 0.000) 3.985 7.192 ( 1.330 0.000 0.000) 1.330 7.215 ( 1.891 0.000 0.000) 1.891 7.221 ( -6.740 0.000 0.000) 6.740 7.266 ( 0.162 0.000 0.000) 0.162 7.297 ( 4.927 0.000 0.000) 4.927 7.299 ( 4.576 0.000 0.000) 4.576 7.317 ( -0.123 0.000 0.000) 0.123 7.321 ( -3.879 0.000 0.000) 3.879 7.348 ( 3.050 0.000 0.000) 3.050 7.392 ( 2.315 0.000 0.000) 2.315 7.417 ( 1.040 0.000 0.000) 1.040 7.536 ( 1.248 0.000 0.000) 1.248 7.545 ( 0.355 0.000 0.000) 0.355 7.566 ( 2.281 0.000 0.000) 2.281 7.635 ( 2.934 0.000 0.000) 2.934 7.637 ( 3.938 0.000 0.000) 3.938 7.659 ( 2.590 0.000 0.000) 2.590 7.673 ( 0.342 0.000 0.000) 0.342 7.824 ( 6.602 0.000 0.000) 6.602 7.827 ( 3.575 0.000 0.000) 3.575 7.836 ( -1.933 0.000 0.000) 1.933 7.865 ( 3.976 0.000 0.000) 3.976 7.898 ( -0.773 0.000 0.000) 0.773 7.925 ( 1.426 0.000 0.000) 1.426 7.936 ( 2.234 0.000 0.000) 2.234 7.968 ( 1.976 0.000 0.000) 1.976 7.987 ( 2.854 0.000 0.000) 2.854 8.078 ( 4.941 0.000 0.000) 4.941 8.116 ( -0.724 0.000 0.000) 0.724 8.148 ( -5.166 0.000 0.000) 5.166 8.245 ( 4.182 0.000 0.000) 4.182 8.293 ( -4.140 0.000 0.000) 4.140 8.354 ( 1.440 0.000 0.000) 1.440 8.472 ( -0.465 0.000 0.000) 0.465 8.554 ( -2.359 0.000 0.000) 2.359 8.558 ( 6.938 0.000 0.000) 6.938 8.609 ( 2.845 0.000 0.000) 2.845 8.733 ( -2.585 0.000 0.000) 2.585 8.762 ( 1.218 0.000 0.000) 1.218 9.015 ( -3.177 0.000 0.000) 3.177 9.030 ( -4.063 0.000 0.000) 4.063 9.032 ( -1.311 0.000 0.000) 1.311 9.085 ( 0.569 0.000 0.000) 0.569 9.136 ( 1.211 0.000 0.000) 1.211 9.137 ( 1.432 0.000 0.000) 1.432 9.170 ( -1.619 0.000 0.000) 1.619 9.387 ( -0.287 0.000 0.000) 0.287 9.405 ( 3.793 0.000 0.000) 3.793 9.447 ( 3.912 0.000 0.000) 3.912 9.456 ( 1.040 0.000 0.000) 1.040 9.483 ( -3.541 0.000 0.000) 3.541 9.490 ( 1.129 0.000 0.000) 1.129 9.491 ( -3.482 0.000 0.000) 3.482 9.603 ( 0.603 0.000 0.000) 0.603 9.610 ( -4.042 0.000 0.000) 4.042 9.682 ( 4.684 0.000 0.000) 4.684 9.755 ( 5.204 0.000 0.000) 5.204 9.772 ( 3.408 0.000 0.000) 3.408 9.899 ( 0.809 0.000 0.000) 0.809 9.910 ( 3.734 0.000 0.000) 3.734 9.935 ( 0.558 0.000 0.000) 0.558 10.037 ( 1.052 0.000 0.000) 1.052 10.074 ( -1.554 0.000 0.000) 1.554 10.087 ( -2.954 0.000 0.000) 2.954 10.356 ( 4.281 0.000 0.000) 4.281 10.392 ( 1.551 0.000 0.000) 1.551 10.452 ( 2.669 0.000 0.000) 2.669 10.634 ( -9.801 0.000 0.000) 9.801 10.683 ( 4.501 0.000 0.000) 4.501 10.754 ( -9.028 0.000 0.000) 9.028 10.809 ( -9.161 0.000 0.000) 9.161 10.814 ( 0.486 0.000 0.000) 0.486 11.004 ( -1.838 0.000 0.000) 1.838 11.124 ( -4.218 0.000 0.000) 4.218 11.127 ( -10.989 0.000 0.000) 10.989 11.319 ( -11.578 0.000 0.000) 11.578 11.410 ( -13.477 0.000 0.000) 13.477 11.484 ( -11.766 0.000 0.000) 11.766 11.609 ( -11.934 0.000 0.000) 11.934 15.630 ( 2.286 0.000 0.000) 2.286 15.642 ( 2.414 0.000 0.000) 2.414 15.783 ( 1.863 0.000 0.000) 1.863 15.885 ( -2.360 0.000 0.000) 2.360 15.924 ( -3.412 0.000 0.000) 3.412 15.989 ( 1.250 0.000 0.000) 1.250 16.137 ( 6.280 0.000 0.000) 6.280 16.178 ( 7.016 0.000 0.000) 7.016 16.179 ( -3.693 0.000 0.000) 3.693 16.183 ( 5.564 0.000 0.000) 5.564 16.234 ( -8.662 0.000 0.000) 8.662 16.411 ( 3.337 0.000 0.000) 3.337 16.772 ( 2.753 0.000 0.000) 2.753 16.783 ( -2.372 0.000 0.000) 2.372 16.819 ( 0.919 0.000 0.000) 0.919 16.853 ( 0.271 0.000 0.000) 0.271 16.932 ( -3.498 0.000 0.000) 3.498 16.973 ( -7.999 0.000 0.000) 7.999 17.033 ( 1.809 0.000 0.000) 1.809 17.046 ( 1.731 0.000 0.000) 1.731 17.264 ( -13.880 0.000 0.000) 13.880 17.308 ( -14.404 0.000 0.000) 14.404 17.639 ( -12.339 0.000 0.000) 12.339 17.685 ( -13.319 0.000 0.000) 13.319 18.093 ( -0.278 0.000 0.000) 0.278 18.101 ( -0.600 0.000 0.000) 0.600 18.124 ( 0.078 0.000 0.000) 0.078 18.166 ( -1.656 0.000 0.000) 1.656 18.167 ( 1.126 0.000 0.000) 1.126 18.173 ( 1.649 0.000 0.000) 1.649 18.222 ( 0.484 0.000 0.000) 0.484 18.407 ( -3.975 0.000 0.000) 3.975 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 16.416 0.000 0.000) 16.416 1.386 ( 20.621 0.000 0.000) 20.621 1.749 ( -5.961 0.000 0.000) 5.961 1.833 ( 7.955 0.000 0.000) 7.955 1.880 ( 11.423 0.000 0.000) 11.423 1.952 ( 9.757 0.000 0.000) 9.757 1.973 ( 1.990 0.000 0.000) 1.990 1.982 ( 5.960 0.000 0.000) 5.960 2.152 ( -4.288 0.000 0.000) 4.288 2.240 ( 16.360 0.000 0.000) 16.360 2.288 ( 10.207 0.000 0.000) 10.207 2.338 ( -7.560 0.000 0.000) 7.560 2.429 ( -6.344 0.000 0.000) 6.344 2.512 ( -5.789 0.000 0.000) 5.789 2.554 ( 2.334 0.000 0.000) 2.334 2.562 ( 2.041 0.000 0.000) 2.041 2.644 ( -1.834 0.000 0.000) 1.834 2.709 ( 0.051 0.000 0.000) 0.051 2.715 ( 4.193 0.000 0.000) 4.193 2.764 ( 7.832 0.000 0.000) 7.832 2.788 ( -4.319 0.000 0.000) 4.319 2.795 ( -0.884 0.000 0.000) 0.884 2.887 ( 2.410 0.000 0.000) 2.410 2.978 ( -1.441 0.000 0.000) 1.441 3.025 ( -0.257 0.000 0.000) 0.257 3.037 ( -2.289 0.000 0.000) 2.289 3.051 ( 0.989 0.000 0.000) 0.989 3.168 ( -5.508 0.000 0.000) 5.508 3.211 ( -9.945 0.000 0.000) 9.945 3.238 ( -3.423 0.000 0.000) 3.423 3.242 ( 2.832 0.000 0.000) 2.832 3.295 ( -5.529 0.000 0.000) 5.529 3.364 ( 2.762 0.000 0.000) 2.762 3.386 ( -3.315 0.000 0.000) 3.315 3.464 ( -2.229 0.000 0.000) 2.229 3.473 ( -3.696 0.000 0.000) 3.696 3.474 ( -1.620 0.000 0.000) 1.620 3.557 ( -4.827 0.000 0.000) 4.827 3.570 ( 0.899 0.000 0.000) 0.899 3.572 ( -2.166 0.000 0.000) 2.166 3.717 ( 2.630 0.000 0.000) 2.630 3.750 ( 0.302 0.000 0.000) 0.302 3.774 ( 5.776 0.000 0.000) 5.776 3.831 ( 13.657 0.000 0.000) 13.657 3.889 ( 2.867 0.000 0.000) 2.867 3.993 ( 1.437 0.000 0.000) 1.437 4.038 ( 4.538 0.000 0.000) 4.538 4.057 ( -0.398 0.000 0.000) 0.398 4.085 ( 6.806 0.000 0.000) 6.806 4.140 ( -2.892 0.000 0.000) 2.892 4.162 ( -3.839 0.000 0.000) 3.839 4.178 ( -4.321 0.000 0.000) 4.321 4.179 ( -7.739 0.000 0.000) 7.739 4.195 ( 0.511 0.000 0.000) 0.511 4.247 ( -6.405 0.000 0.000) 6.405 4.286 ( 3.491 0.000 0.000) 3.491 4.291 ( -1.535 0.000 0.000) 1.535 4.395 ( 0.652 0.000 0.000) 0.652 4.440 ( 1.092 0.000 0.000) 1.092 4.466 ( -4.690 0.000 0.000) 4.690 4.485 ( 6.407 0.000 0.000) 6.407 4.496 ( -2.043 0.000 0.000) 2.043 4.499 ( 2.960 0.000 0.000) 2.960 4.666 ( 4.012 0.000 0.000) 4.012 4.677 ( 3.779 0.000 0.000) 3.779 4.718 ( 4.672 0.000 0.000) 4.672 4.730 ( -4.954 0.000 0.000) 4.954 4.737 ( 3.713 0.000 0.000) 3.713 4.756 ( 0.808 0.000 0.000) 0.808 4.794 ( 0.115 0.000 0.000) 0.115 4.822 ( -4.851 0.000 0.000) 4.851 4.881 ( -2.591 0.000 0.000) 2.591 4.985 ( 4.184 0.000 0.000) 4.184 5.053 ( 2.440 0.000 0.000) 2.440 5.099 ( -0.538 0.000 0.000) 0.538 5.124 ( 0.379 0.000 0.000) 0.379 5.131 ( -3.529 0.000 0.000) 3.529 5.165 ( 2.528 0.000 0.000) 2.528 5.176 ( -2.923 0.000 0.000) 2.923 5.191 ( 3.638 0.000 0.000) 3.638 5.193 ( -5.465 0.000 0.000) 5.465 5.258 ( -8.054 0.000 0.000) 8.054 5.265 ( -3.501 0.000 0.000) 3.501 5.323 ( -4.722 0.000 0.000) 4.722 5.366 ( -1.678 0.000 0.000) 1.678 5.406 ( 4.605 0.000 0.000) 4.605 5.515 ( -3.235 0.000 0.000) 3.235 5.574 ( 6.301 0.000 0.000) 6.301 5.588 ( -10.077 0.000 0.000) 10.077 5.640 ( 10.937 0.000 0.000) 10.937 5.757 ( 3.732 0.000 0.000) 3.732 5.760 ( -1.603 0.000 0.000) 1.603 5.775 ( -1.056 0.000 0.000) 1.056 5.795 ( -2.712 0.000 0.000) 2.712 5.830 ( 1.453 0.000 0.000) 1.453 5.961 ( -3.180 0.000 0.000) 3.180 5.967 ( -2.620 0.000 0.000) 2.620 5.993 ( -7.607 0.000 0.000) 7.607 6.028 ( -4.276 0.000 0.000) 4.276 6.054 ( -0.050 0.000 0.000) 0.050 6.116 ( 5.678 0.000 0.000) 5.678 6.132 ( -7.468 0.000 0.000) 7.468 6.133 ( 1.218 0.000 0.000) 1.218 6.143 ( -4.014 0.000 0.000) 4.014 6.239 ( -2.126 0.000 0.000) 2.126 6.291 ( 1.702 0.000 0.000) 1.702 6.296 ( -2.092 0.000 0.000) 2.092 6.313 ( 2.570 0.000 0.000) 2.570 6.324 ( 5.532 0.000 0.000) 5.532 6.351 ( -0.587 0.000 0.000) 0.587 6.466 ( 3.311 0.000 0.000) 3.311 6.474 ( -0.759 0.000 0.000) 0.759 6.484 ( 4.814 0.000 0.000) 4.814 6.540 ( -5.769 0.000 0.000) 5.769 6.642 ( 4.248 0.000 0.000) 4.248 6.675 ( -1.648 0.000 0.000) 1.648 6.772 ( -1.636 0.000 0.000) 1.636 6.809 ( 0.525 0.000 0.000) 0.525 6.829 ( -3.959 0.000 0.000) 3.959 6.832 ( 1.440 0.000 0.000) 1.440 6.853 ( -2.137 0.000 0.000) 2.137 6.895 ( -0.194 0.000 0.000) 0.194 6.897 ( -0.922 0.000 0.000) 0.922 6.964 ( 2.794 0.000 0.000) 2.794 6.980 ( -4.359 0.000 0.000) 4.359 7.041 ( 2.589 0.000 0.000) 2.589 7.057 ( -6.124 0.000 0.000) 6.124 7.105 ( 1.795 0.000 0.000) 1.795 7.145 ( 6.069 0.000 0.000) 6.069 7.188 ( -0.221 0.000 0.000) 0.221 7.195 ( -0.558 0.000 0.000) 0.558 7.246 ( -1.906 0.000 0.000) 1.906 7.252 ( -0.543 0.000 0.000) 0.543 7.296 ( -1.115 0.000 0.000) 1.115 7.302 ( 5.433 0.000 0.000) 5.433 7.347 ( -1.330 0.000 0.000) 1.330 7.382 ( 0.733 0.000 0.000) 0.733 7.410 ( 6.683 0.000 0.000) 6.683 7.416 ( -0.063 0.000 0.000) 0.063 7.517 ( 0.172 0.000 0.000) 0.172 7.525 ( -1.579 0.000 0.000) 1.579 7.541 ( 8.534 0.000 0.000) 8.534 7.558 ( -2.280 0.000 0.000) 2.280 7.634 ( -3.769 0.000 0.000) 3.769 7.649 ( -2.097 0.000 0.000) 2.097 7.651 ( -2.770 0.000 0.000) 2.770 7.764 ( -5.173 0.000 0.000) 5.173 7.784 ( 6.184 0.000 0.000) 6.184 7.865 ( -1.236 0.000 0.000) 1.236 7.922 ( 5.315 0.000 0.000) 5.315 7.922 ( 4.998 0.000 0.000) 4.998 7.964 ( 5.197 0.000 0.000) 5.197 7.967 ( 1.977 0.000 0.000) 1.977 7.991 ( 2.009 0.000 0.000) 2.009 8.026 ( 0.176 0.000 0.000) 0.176 8.048 ( 4.141 0.000 0.000) 4.141 8.086 ( -1.784 0.000 0.000) 1.784 8.097 ( -0.528 0.000 0.000) 0.528 8.131 ( 0.094 0.000 0.000) 0.094 8.191 ( -5.264 0.000 0.000) 5.264 8.390 ( 0.952 0.000 0.000) 0.952 8.413 ( 10.377 0.000 0.000) 10.377 8.446 ( -2.033 0.000 0.000) 2.033 8.529 ( 0.300 0.000 0.000) 0.300 8.665 ( -3.500 0.000 0.000) 3.500 8.709 ( 6.572 0.000 0.000) 6.572 8.709 ( 7.042 0.000 0.000) 7.042 8.752 ( -2.289 0.000 0.000) 2.289 8.938 ( -4.247 0.000 0.000) 4.247 8.958 ( -1.554 0.000 0.000) 1.554 8.973 ( -4.431 0.000 0.000) 4.431 9.042 ( -4.374 0.000 0.000) 4.374 9.151 ( 0.057 0.000 0.000) 0.057 9.163 ( 0.436 0.000 0.000) 0.436 9.179 ( 3.163 0.000 0.000) 3.163 9.393 ( -5.467 0.000 0.000) 5.467 9.394 ( 1.010 0.000 0.000) 1.010 9.452 ( -0.246 0.000 0.000) 0.246 9.452 ( 1.278 0.000 0.000) 1.278 9.493 ( 2.905 0.000 0.000) 2.905 9.516 ( 1.275 0.000 0.000) 1.275 9.517 ( 1.357 0.000 0.000) 1.357 9.558 ( -0.699 0.000 0.000) 0.699 9.616 ( 0.887 0.000 0.000) 0.887 9.756 ( 2.888 0.000 0.000) 2.888 9.826 ( 0.888 0.000 0.000) 0.888 9.878 ( -2.467 0.000 0.000) 2.467 9.901 ( -5.063 0.000 0.000) 5.063 9.919 ( 9.712 0.000 0.000) 9.712 10.032 ( 0.347 0.000 0.000) 0.347 10.040 ( 0.119 0.000 0.000) 0.119 10.050 ( 9.508 0.000 0.000) 9.508 10.130 ( 5.617 0.000 0.000) 5.617 10.404 ( -11.862 0.000 0.000) 11.862 10.422 ( 0.138 0.000 0.000) 0.138 10.464 ( 5.763 0.000 0.000) 5.763 10.492 ( 1.274 0.000 0.000) 1.274 10.554 ( -8.019 0.000 0.000) 8.019 10.570 ( -13.041 0.000 0.000) 13.041 10.814 ( 7.789 0.000 0.000) 7.789 10.869 ( 5.445 0.000 0.000) 5.445 10.879 ( -12.223 0.000 0.000) 12.223 10.973 ( -0.649 0.000 0.000) 0.649 11.039 ( -3.417 0.000 0.000) 3.417 11.093 ( -8.387 0.000 0.000) 8.387 11.163 ( -9.841 0.000 0.000) 9.841 11.225 ( -12.290 0.000 0.000) 12.290 11.335 ( -13.652 0.000 0.000) 13.652 15.687 ( 3.133 0.000 0.000) 3.133 15.701 ( 3.153 0.000 0.000) 3.153 15.827 ( -3.133 0.000 0.000) 3.133 15.843 ( 3.732 0.000 0.000) 3.732 15.849 ( -3.672 0.000 0.000) 3.672 16.017 ( 1.632 0.000 0.000) 1.632 16.057 ( -6.491 0.000 0.000) 6.491 16.124 ( -3.356 0.000 0.000) 3.356 16.292 ( 8.650 0.000 0.000) 8.650 16.326 ( 7.919 0.000 0.000) 7.919 16.370 ( 10.707 0.000 0.000) 10.707 16.515 ( 6.930 0.000 0.000) 6.930 16.679 ( -7.605 0.000 0.000) 7.605 16.709 ( -8.724 0.000 0.000) 8.724 16.842 ( -6.373 0.000 0.000) 6.373 16.844 ( 1.411 0.000 0.000) 1.411 16.865 ( 0.773 0.000 0.000) 0.773 16.881 ( -0.401 0.000 0.000) 0.401 16.983 ( -10.604 0.000 0.000) 10.604 16.992 ( -14.861 0.000 0.000) 14.861 17.089 ( 3.800 0.000 0.000) 3.800 17.102 ( 3.893 0.000 0.000) 3.893 17.391 ( -10.761 0.000 0.000) 10.761 17.418 ( -11.469 0.000 0.000) 11.469 18.080 ( -0.552 0.000 0.000) 0.552 18.086 ( -0.696 0.000 0.000) 0.696 18.125 ( 0.093 0.000 0.000) 0.093 18.141 ( -0.821 0.000 0.000) 0.821 18.189 ( 0.978 0.000 0.000) 0.978 18.212 ( 2.124 0.000 0.000) 2.124 18.224 ( -0.390 0.000 0.000) 0.390 18.329 ( -3.442 0.000 0.000) 3.442 ======================= Grid point 4 (5/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -12.286 0.000 0.000) 12.286 1.561 ( 12.286 0.000 0.000) 12.286 1.758 ( -12.942 0.000 0.000) 12.942 1.758 ( 12.942 0.000 0.000) 12.942 2.019 ( -0.867 0.000 0.000) 0.867 2.019 ( 0.867 0.000 0.000) 0.867 2.083 ( -2.957 0.000 0.000) 2.957 2.083 ( 2.957 0.000 0.000) 2.957 2.134 ( -11.567 0.000 0.000) 11.567 2.134 ( 11.567 0.000 0.000) 11.567 2.333 ( -0.405 0.000 0.000) 0.405 2.333 ( 0.405 0.000 0.000) 0.405 2.555 ( -9.258 0.000 0.000) 9.258 2.555 ( 9.258 0.000 0.000) 9.258 2.578 ( -0.379 0.000 0.000) 0.379 2.578 ( 0.379 0.000 0.000) 0.379 2.592 ( -8.840 0.000 0.000) 8.840 2.592 ( 8.840 0.000 0.000) 8.840 2.757 ( -1.041 0.000 0.000) 1.041 2.757 ( 1.041 0.000 0.000) 1.041 2.861 ( -8.476 0.000 0.000) 8.476 2.861 ( 8.476 0.000 0.000) 8.476 2.951 ( -7.213 0.000 0.000) 7.213 2.951 ( 7.213 0.000 0.000) 7.213 3.001 ( -0.001 0.000 0.000) 0.001 3.001 ( 0.001 0.000 0.000) 0.001 3.041 ( -0.511 0.000 0.000) 0.511 3.041 ( 0.511 0.000 0.000) 0.511 3.127 ( -8.502 0.000 0.000) 8.502 3.127 ( 8.502 0.000 0.000) 8.502 3.258 ( -1.733 0.000 0.000) 1.733 3.258 ( 1.733 0.000 0.000) 1.733 3.420 ( -2.562 0.000 0.000) 2.562 3.420 ( 2.562 0.000 0.000) 2.562 3.431 ( -2.600 0.000 0.000) 2.600 3.431 ( 2.600 0.000 0.000) 2.600 3.457 ( -1.896 0.000 0.000) 1.896 3.457 ( 1.896 0.000 0.000) 1.896 3.566 ( -1.601 0.000 0.000) 1.601 3.566 ( 1.601 0.000 0.000) 1.601 3.754 ( -0.355 0.000 0.000) 0.355 3.754 ( 0.355 0.000 0.000) 0.355 3.903 ( -4.480 0.000 0.000) 4.480 3.903 ( 4.480 0.000 0.000) 4.480 4.024 ( -7.547 0.000 0.000) 7.547 4.024 ( 7.547 0.000 0.000) 7.547 4.031 ( -4.611 0.000 0.000) 4.611 4.031 ( 4.611 0.000 0.000) 4.611 4.102 ( -4.357 0.000 0.000) 4.357 4.102 ( 4.357 0.000 0.000) 4.357 4.103 ( -0.497 0.000 0.000) 0.497 4.103 ( 0.497 0.000 0.000) 0.497 4.183 ( -7.421 0.000 0.000) 7.421 4.183 ( 7.421 0.000 0.000) 7.421 4.207 ( -0.371 0.000 0.000) 0.371 4.207 ( 0.371 0.000 0.000) 0.371 4.369 ( -3.176 0.000 0.000) 3.176 4.369 ( 3.176 0.000 0.000) 3.176 4.425 ( -0.376 0.000 0.000) 0.376 4.425 ( 0.376 0.000 0.000) 0.376 4.496 ( -2.574 0.000 0.000) 2.574 4.496 ( 2.574 0.000 0.000) 2.574 4.679 ( -0.814 0.000 0.000) 0.814 4.679 ( 0.814 0.000 0.000) 0.814 4.682 ( -8.507 0.000 0.000) 8.507 4.682 ( 8.507 0.000 0.000) 8.507 4.772 ( -1.157 0.000 0.000) 1.157 4.772 ( 1.157 0.000 0.000) 1.157 4.789 ( -4.836 0.000 0.000) 4.836 4.789 ( 4.836 0.000 0.000) 4.836 4.811 ( -0.420 0.000 0.000) 0.420 4.811 ( 0.420 0.000 0.000) 0.420 5.083 ( -3.779 0.000 0.000) 3.779 5.083 ( 3.779 0.000 0.000) 3.779 5.088 ( -0.174 0.000 0.000) 0.174 5.088 ( 0.174 0.000 0.000) 0.174 5.118 ( -3.383 0.000 0.000) 3.383 5.118 ( 3.383 0.000 0.000) 3.383 5.136 ( -0.938 0.000 0.000) 0.938 5.136 ( 0.938 0.000 0.000) 0.938 5.221 ( -0.531 0.000 0.000) 0.531 5.221 ( 0.531 0.000 0.000) 0.531 5.259 ( -2.604 0.000 0.000) 2.604 5.259 ( 2.604 0.000 0.000) 2.604 5.392 ( -6.913 0.000 0.000) 6.913 5.392 ( 6.913 0.000 0.000) 6.913 5.471 ( -1.765 0.000 0.000) 1.765 5.471 ( 1.765 0.000 0.000) 1.765 5.699 ( -4.750 0.000 0.000) 4.750 5.699 ( 4.750 0.000 0.000) 4.750 5.747 ( -0.398 0.000 0.000) 0.398 5.747 ( 0.398 0.000 0.000) 0.398 5.856 ( -8.269 0.000 0.000) 8.269 5.856 ( 8.269 0.000 0.000) 8.269 5.876 ( -5.097 0.000 0.000) 5.097 5.876 ( 5.097 0.000 0.000) 5.097 5.888 ( -4.904 0.000 0.000) 4.904 5.888 ( 4.904 0.000 0.000) 4.904 5.975 ( -4.516 0.000 0.000) 4.516 5.975 ( 4.516 0.000 0.000) 4.516 6.113 ( -4.043 0.000 0.000) 4.043 6.113 ( 4.043 0.000 0.000) 4.043 6.144 ( -1.598 0.000 0.000) 1.598 6.144 ( 1.598 0.000 0.000) 1.598 6.241 ( -2.933 0.000 0.000) 2.933 6.241 ( 2.933 0.000 0.000) 2.933 6.326 ( -1.374 0.000 0.000) 1.374 6.326 ( 1.374 0.000 0.000) 1.374 6.418 ( -4.904 0.000 0.000) 4.904 6.418 ( 4.904 0.000 0.000) 4.904 6.421 ( -4.537 0.000 0.000) 4.537 6.421 ( 4.537 0.000 0.000) 4.537 6.585 ( -7.152 0.000 0.000) 7.152 6.585 ( 7.152 0.000 0.000) 7.152 6.647 ( -8.395 0.000 0.000) 8.395 6.647 ( 8.395 0.000 0.000) 8.395 6.736 ( -4.912 0.000 0.000) 4.912 6.736 ( 4.912 0.000 0.000) 4.912 6.844 ( -3.848 0.000 0.000) 3.848 6.844 ( 3.848 0.000 0.000) 3.848 6.856 ( -0.047 0.000 0.000) 0.047 6.856 ( 0.047 0.000 0.000) 0.047 6.881 ( -0.267 0.000 0.000) 0.267 6.881 ( 0.267 0.000 0.000) 0.267 7.007 ( -1.504 0.000 0.000) 1.504 7.007 ( 1.504 0.000 0.000) 1.504 7.100 ( -2.395 0.000 0.000) 2.395 7.100 ( 2.395 0.000 0.000) 2.395 7.183 ( -0.304 0.000 0.000) 0.304 7.183 ( 0.304 0.000 0.000) 0.304 7.229 ( -1.478 0.000 0.000) 1.478 7.229 ( 1.478 0.000 0.000) 1.478 7.271 ( -1.586 0.000 0.000) 1.586 7.271 ( 1.586 0.000 0.000) 1.586 7.343 ( -1.743 0.000 0.000) 1.743 7.343 ( 1.743 0.000 0.000) 1.743 7.386 ( -2.787 0.000 0.000) 2.787 7.386 ( 2.787 0.000 0.000) 2.787 7.506 ( -1.711 0.000 0.000) 1.711 7.506 ( 1.711 0.000 0.000) 1.711 7.571 ( -3.722 0.000 0.000) 3.722 7.571 ( 3.722 0.000 0.000) 3.722 7.575 ( -3.203 0.000 0.000) 3.203 7.575 ( 3.203 0.000 0.000) 3.203 7.627 ( -4.861 0.000 0.000) 4.861 7.627 ( 4.861 0.000 0.000) 4.861 7.719 ( -7.294 0.000 0.000) 7.294 7.719 ( 7.294 0.000 0.000) 7.294 7.970 ( -5.571 0.000 0.000) 5.571 7.970 ( 5.571 0.000 0.000) 5.571 7.995 ( -1.274 0.000 0.000) 1.274 7.995 ( 1.274 0.000 0.000) 1.274 8.014 ( -2.894 0.000 0.000) 2.894 8.014 ( 2.894 0.000 0.000) 2.894 8.050 ( -5.049 0.000 0.000) 5.049 8.050 ( 5.049 0.000 0.000) 5.049 8.087 ( -3.476 0.000 0.000) 3.476 8.087 ( 3.476 0.000 0.000) 3.476 8.113 ( -2.149 0.000 0.000) 2.149 8.113 ( 2.149 0.000 0.000) 2.149 8.406 ( -1.273 0.000 0.000) 1.273 8.406 ( 1.273 0.000 0.000) 1.273 8.553 ( -0.516 0.000 0.000) 0.516 8.553 ( 0.516 0.000 0.000) 0.516 8.659 ( -5.574 0.000 0.000) 5.574 8.659 ( 5.574 0.000 0.000) 5.574 8.828 ( -1.392 0.000 0.000) 1.392 8.828 ( 1.392 0.000 0.000) 1.392 8.867 ( -2.492 0.000 0.000) 2.492 8.867 ( 2.492 0.000 0.000) 2.492 8.962 ( -2.188 0.000 0.000) 2.188 8.962 ( 2.188 0.000 0.000) 2.188 9.159 ( -0.526 0.000 0.000) 0.526 9.159 ( 0.526 0.000 0.000) 0.526 9.273 ( -5.550 0.000 0.000) 5.550 9.273 ( 5.550 0.000 0.000) 5.550 9.425 ( -1.729 0.000 0.000) 1.729 9.425 ( 1.729 0.000 0.000) 1.729 9.504 ( -2.021 0.000 0.000) 2.021 9.504 ( 2.021 0.000 0.000) 2.021 9.533 ( -0.340 0.000 0.000) 0.340 9.533 ( 0.340 0.000 0.000) 0.340 9.592 ( -3.493 0.000 0.000) 3.493 9.592 ( 3.493 0.000 0.000) 3.493 9.815 ( -3.063 0.000 0.000) 3.063 9.815 ( 3.063 0.000 0.000) 3.063 9.822 ( -0.498 0.000 0.000) 0.498 9.822 ( 0.498 0.000 0.000) 0.498 10.050 ( -0.281 0.000 0.000) 0.281 10.050 ( 0.281 0.000 0.000) 0.281 10.150 ( -11.986 0.000 0.000) 11.986 10.150 ( 11.986 0.000 0.000) 11.986 10.286 ( -8.927 0.000 0.000) 8.927 10.286 ( 8.927 0.000 0.000) 8.927 10.291 ( -12.980 0.000 0.000) 12.980 10.291 ( 12.980 0.000 0.000) 12.980 10.507 ( -0.137 0.000 0.000) 0.137 10.507 ( 0.137 0.000 0.000) 0.137 10.636 ( -10.381 0.000 0.000) 10.381 10.636 ( 10.381 0.000 0.000) 10.381 10.990 ( -2.061 0.000 0.000) 2.061 10.990 ( 2.061 0.000 0.000) 2.061 10.992 ( -9.631 0.000 0.000) 9.631 10.992 ( 9.631 0.000 0.000) 9.631 11.020 ( -3.061 0.000 0.000) 3.061 11.020 ( 3.061 0.000 0.000) 3.061 11.061 ( -11.974 0.000 0.000) 11.974 11.061 ( 11.974 0.000 0.000) 11.974 15.757 ( -3.425 0.000 0.000) 3.425 15.757 ( 3.425 0.000 0.000) 3.425 15.772 ( -3.575 0.000 0.000) 3.575 15.772 ( 3.575 0.000 0.000) 3.575 15.936 ( -5.115 0.000 0.000) 5.115 15.936 ( 5.115 0.000 0.000) 5.115 16.061 ( -2.605 0.000 0.000) 2.605 16.061 ( 2.605 0.000 0.000) 2.605 16.489 ( -9.789 0.000 0.000) 9.789 16.489 ( 9.789 0.000 0.000) 9.789 16.509 ( -9.450 0.000 0.000) 9.450 16.509 ( 9.450 0.000 0.000) 9.450 16.617 ( -12.521 0.000 0.000) 12.521 16.617 ( 12.521 0.000 0.000) 12.521 16.709 ( -11.529 0.000 0.000) 11.529 16.709 ( 11.529 0.000 0.000) 11.529 16.878 ( -2.090 0.000 0.000) 2.090 16.878 ( 2.090 0.000 0.000) 2.090 16.879 ( -0.428 0.000 0.000) 0.428 16.879 ( 0.428 0.000 0.000) 0.428 17.202 ( -7.133 0.000 0.000) 7.133 17.202 ( 7.133 0.000 0.000) 7.133 17.219 ( -7.461 0.000 0.000) 7.461 17.219 ( 7.461 0.000 0.000) 7.461 18.076 ( -0.180 0.000 0.000) 0.180 18.076 ( 0.180 0.000 0.000) 0.180 18.129 ( -0.344 0.000 0.000) 0.344 18.129 ( 0.344 0.000 0.000) 0.344 18.209 ( -0.930 0.000 0.000) 0.930 18.209 ( 0.930 0.000 0.000) 0.930 18.263 ( -2.786 0.000 0.000) 2.786 18.263 ( 2.786 0.000 0.000) 2.786 ======================= Grid point 9 (6/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 26.566 0.000) 26.566 0.567 ( 0.000 31.407 0.000) 31.407 0.942 ( 0.000 -25.476 0.000) 25.476 1.018 ( 0.000 40.044 0.000) 40.044 1.135 ( 0.000 -12.358 0.000) 12.358 1.766 ( 0.000 17.049 0.000) 17.049 1.807 ( 0.000 17.863 0.000) 17.863 1.912 ( 0.000 -30.717 0.000) 30.717 2.048 ( 0.000 18.001 0.000) 18.001 2.071 ( 0.000 -3.249 0.000) 3.249 2.096 ( 0.000 -6.951 0.000) 6.951 2.208 ( 0.000 3.903 0.000) 3.903 2.328 ( 0.000 -12.479 0.000) 12.479 2.352 ( 0.000 -20.960 0.000) 20.960 2.428 ( 0.000 -10.877 0.000) 10.877 2.483 ( 0.000 -11.169 0.000) 11.169 2.593 ( 0.000 -3.361 0.000) 3.361 2.604 ( 0.000 -5.393 0.000) 5.393 2.637 ( 0.000 3.117 0.000) 3.117 2.727 ( 0.000 -5.425 0.000) 5.425 2.851 ( 0.000 -0.725 0.000) 0.725 2.860 ( 0.000 -1.313 0.000) 1.313 3.007 ( 0.000 0.299 0.000) 0.299 3.011 ( 0.000 -0.213 0.000) 0.213 3.016 ( 0.000 9.734 0.000) 9.734 3.024 ( 0.000 6.964 0.000) 6.964 3.129 ( 0.000 4.595 0.000) 4.595 3.174 ( 0.000 -3.673 0.000) 3.673 3.225 ( 0.000 -0.570 0.000) 0.570 3.247 ( 0.000 2.693 0.000) 2.693 3.267 ( 0.000 -6.525 0.000) 6.525 3.297 ( 0.000 -2.436 0.000) 2.436 3.411 ( 0.000 4.052 0.000) 4.052 3.440 ( 0.000 3.950 0.000) 3.950 3.484 ( 0.000 -3.734 0.000) 3.734 3.509 ( 0.000 -1.879 0.000) 1.879 3.567 ( 0.000 7.384 0.000) 7.384 3.639 ( 0.000 8.053 0.000) 8.053 3.690 ( 0.000 -5.501 0.000) 5.501 3.729 ( 0.000 2.635 0.000) 2.635 3.730 ( 0.000 -2.100 0.000) 2.100 3.750 ( 0.000 1.894 0.000) 1.894 3.789 ( 0.000 -2.077 0.000) 2.077 3.794 ( 0.000 -4.504 0.000) 4.504 3.844 ( 0.000 8.731 0.000) 8.731 3.855 ( 0.000 -1.984 0.000) 1.984 3.866 ( 0.000 -1.388 0.000) 1.388 3.871 ( 0.000 -1.918 0.000) 1.918 3.995 ( 0.000 8.663 0.000) 8.663 4.050 ( 0.000 2.972 0.000) 2.972 4.164 ( 0.000 5.916 0.000) 5.916 4.169 ( 0.000 4.387 0.000) 4.387 4.210 ( 0.000 3.396 0.000) 3.396 4.224 ( 0.000 -0.462 0.000) 0.462 4.310 ( 0.000 5.286 0.000) 5.286 4.316 ( 0.000 11.017 0.000) 11.017 4.337 ( 0.000 4.513 0.000) 4.513 4.374 ( 0.000 0.956 0.000) 0.956 4.446 ( 0.000 1.132 0.000) 1.132 4.448 ( 0.000 -2.474 0.000) 2.474 4.471 ( 0.000 -2.382 0.000) 2.382 4.478 ( 0.000 -3.076 0.000) 3.076 4.584 ( 0.000 -0.462 0.000) 0.462 4.606 ( 0.000 -8.665 0.000) 8.665 4.636 ( 0.000 -7.520 0.000) 7.520 4.679 ( 0.000 6.704 0.000) 6.704 4.680 ( 0.000 -5.281 0.000) 5.281 4.725 ( 0.000 5.025 0.000) 5.025 4.754 ( 0.000 1.141 0.000) 1.141 4.877 ( 0.000 -13.589 0.000) 13.589 4.891 ( 0.000 -0.150 0.000) 0.150 4.966 ( 0.000 -5.968 0.000) 5.968 4.967 ( 0.000 0.309 0.000) 0.309 4.978 ( 0.000 -1.384 0.000) 1.384 5.046 ( 0.000 2.157 0.000) 2.157 5.059 ( 0.000 2.490 0.000) 2.490 5.097 ( 0.000 -1.075 0.000) 1.075 5.168 ( 0.000 -9.700 0.000) 9.700 5.227 ( 0.000 -1.621 0.000) 1.621 5.239 ( 0.000 -2.464 0.000) 2.464 5.299 ( 0.000 3.226 0.000) 3.226 5.320 ( 0.000 5.501 0.000) 5.501 5.382 ( 0.000 3.521 0.000) 3.521 5.396 ( 0.000 3.169 0.000) 3.169 5.443 ( 0.000 -3.041 0.000) 3.041 5.525 ( 0.000 -8.181 0.000) 8.181 5.593 ( 0.000 4.232 0.000) 4.232 5.663 ( 0.000 -3.134 0.000) 3.134 5.721 ( 0.000 -2.291 0.000) 2.291 5.726 ( 0.000 -3.489 0.000) 3.489 5.789 ( 0.000 9.655 0.000) 9.655 5.836 ( 0.000 5.928 0.000) 5.928 5.927 ( 0.000 3.768 0.000) 3.768 5.952 ( 0.000 6.523 0.000) 6.523 5.961 ( 0.000 -4.835 0.000) 4.835 5.984 ( 0.000 -3.081 0.000) 3.081 6.012 ( 0.000 -8.860 0.000) 8.860 6.050 ( 0.000 -3.769 0.000) 3.769 6.078 ( 0.000 0.147 0.000) 0.147 6.089 ( 0.000 -1.376 0.000) 1.376 6.183 ( 0.000 0.240 0.000) 0.240 6.193 ( 0.000 -0.989 0.000) 0.989 6.194 ( 0.000 5.193 0.000) 5.193 6.270 ( 0.000 3.768 0.000) 3.768 6.273 ( 0.000 -4.773 0.000) 4.773 6.299 ( 0.000 1.377 0.000) 1.377 6.367 ( 0.000 0.282 0.000) 0.282 6.380 ( 0.000 -2.129 0.000) 2.129 6.382 ( 0.000 -1.216 0.000) 1.216 6.406 ( 0.000 -3.911 0.000) 3.911 6.452 ( 0.000 0.843 0.000) 0.843 6.466 ( 0.000 -1.141 0.000) 1.141 6.620 ( 0.000 2.536 0.000) 2.536 6.656 ( 0.000 2.538 0.000) 2.538 6.668 ( 0.000 -2.214 0.000) 2.214 6.675 ( 0.000 1.204 0.000) 1.204 6.731 ( 0.000 3.631 0.000) 3.631 6.760 ( 0.000 7.090 0.000) 7.090 6.803 ( 0.000 -1.526 0.000) 1.526 6.825 ( 0.000 6.476 0.000) 6.476 6.848 ( 0.000 -0.122 0.000) 0.122 6.907 ( 0.000 3.687 0.000) 3.687 6.908 ( 0.000 2.524 0.000) 2.524 6.938 ( 0.000 -3.063 0.000) 3.063 7.001 ( 0.000 6.320 0.000) 6.320 7.038 ( 0.000 -3.835 0.000) 3.835 7.046 ( 0.000 -5.841 0.000) 5.841 7.066 ( 0.000 -0.700 0.000) 0.700 7.075 ( 0.000 -0.886 0.000) 0.886 7.075 ( 0.000 -0.766 0.000) 0.766 7.111 ( 0.000 -0.073 0.000) 0.073 7.114 ( 0.000 -0.995 0.000) 0.995 7.165 ( 0.000 1.485 0.000) 1.485 7.227 ( 0.000 -0.293 0.000) 0.293 7.236 ( 0.000 -0.569 0.000) 0.569 7.244 ( 0.000 -3.471 0.000) 3.471 7.275 ( 0.000 3.564 0.000) 3.564 7.344 ( 0.000 -3.540 0.000) 3.540 7.368 ( 0.000 -2.557 0.000) 2.557 7.410 ( 0.000 -0.095 0.000) 0.095 7.414 ( 0.000 -0.890 0.000) 0.890 7.422 ( 0.000 -5.393 0.000) 5.393 7.454 ( 0.000 -1.355 0.000) 1.355 7.466 ( 0.000 -1.253 0.000) 1.253 7.573 ( 0.000 1.363 0.000) 1.363 7.586 ( 0.000 0.678 0.000) 0.678 7.722 ( 0.000 3.901 0.000) 3.901 7.724 ( 0.000 8.133 0.000) 8.133 7.755 ( 0.000 -0.116 0.000) 0.116 7.796 ( 0.000 2.478 0.000) 2.478 7.830 ( 0.000 -3.396 0.000) 3.396 7.845 ( 0.000 -2.264 0.000) 2.264 7.847 ( 0.000 -2.520 0.000) 2.520 7.861 ( 0.000 -4.349 0.000) 4.349 7.913 ( 0.000 0.280 0.000) 0.280 7.918 ( 0.000 0.056 0.000) 0.056 7.995 ( 0.000 3.973 0.000) 3.973 8.049 ( 0.000 -2.216 0.000) 2.216 8.357 ( 0.000 -0.011 0.000) 0.011 8.383 ( 0.000 11.766 0.000) 11.766 8.387 ( 0.000 -2.390 0.000) 2.390 8.424 ( 0.000 4.629 0.000) 4.629 8.506 ( 0.000 4.711 0.000) 4.711 8.538 ( 0.000 -6.793 0.000) 6.793 8.553 ( 0.000 -0.455 0.000) 0.455 8.580 ( 0.000 -8.525 0.000) 8.525 8.592 ( 0.000 0.150 0.000) 0.150 8.607 ( 0.000 -0.946 0.000) 0.946 9.042 ( 0.000 -0.208 0.000) 0.208 9.045 ( 0.000 6.284 0.000) 6.284 9.046 ( 0.000 -1.248 0.000) 1.248 9.145 ( 0.000 -4.142 0.000) 4.142 9.158 ( 0.000 2.903 0.000) 2.903 9.204 ( 0.000 -2.068 0.000) 2.068 9.277 ( 0.000 3.225 0.000) 3.225 9.336 ( 0.000 0.507 0.000) 0.507 9.354 ( 0.000 -1.314 0.000) 1.314 9.362 ( 0.000 -5.870 0.000) 5.870 9.399 ( 0.000 0.627 0.000) 0.627 9.424 ( 0.000 -2.296 0.000) 2.296 9.548 ( 0.000 3.149 0.000) 3.149 9.571 ( 0.000 0.393 0.000) 0.393 9.580 ( 0.000 -0.443 0.000) 0.443 9.603 ( 0.000 -2.205 0.000) 2.205 9.672 ( 0.000 0.823 0.000) 0.823 9.684 ( 0.000 -0.691 0.000) 0.691 9.720 ( 0.000 4.655 0.000) 4.655 9.779 ( 0.000 -1.775 0.000) 1.775 9.797 ( 0.000 4.239 0.000) 4.239 9.857 ( 0.000 -2.186 0.000) 2.186 10.081 ( 0.000 1.469 0.000) 1.469 10.109 ( 0.000 1.773 0.000) 1.773 10.120 ( 0.000 -2.460 0.000) 2.460 10.150 ( 0.000 -2.365 0.000) 2.365 10.339 ( 0.000 0.911 0.000) 0.911 10.362 ( 0.000 -1.327 0.000) 1.327 10.655 ( 0.000 5.055 0.000) 5.055 10.762 ( 0.000 -6.375 0.000) 6.375 10.955 ( 0.000 0.365 0.000) 0.365 10.966 ( 0.000 -0.731 0.000) 0.731 11.115 ( 0.000 5.321 0.000) 5.321 11.193 ( 0.000 4.747 0.000) 4.747 11.197 ( 0.000 -3.419 0.000) 3.419 11.301 ( 0.000 -6.807 0.000) 6.807 11.669 ( 0.000 6.387 0.000) 6.387 11.766 ( 0.000 -4.074 0.000) 4.074 11.785 ( 0.000 1.396 0.000) 1.396 11.811 ( 0.000 -1.249 0.000) 1.249 15.584 ( 0.000 0.040 0.000) 0.040 15.585 ( 0.000 -0.101 0.000) 0.101 15.810 ( 0.000 4.353 0.000) 4.353 15.907 ( 0.000 -4.968 0.000) 4.968 15.952 ( 0.000 0.171 0.000) 0.171 15.954 ( 0.000 1.907 0.000) 1.907 15.966 ( 0.000 -2.583 0.000) 2.583 15.995 ( 0.000 -2.215 0.000) 2.215 16.224 ( 0.000 6.952 0.000) 6.952 16.320 ( 0.000 -3.678 0.000) 3.678 16.592 ( 0.000 0.383 0.000) 0.383 16.597 ( 0.000 -0.211 0.000) 0.211 16.614 ( 0.000 0.120 0.000) 0.120 16.617 ( 0.000 -0.140 0.000) 0.140 16.816 ( 0.000 1.168 0.000) 1.168 16.844 ( 0.000 -1.692 0.000) 1.692 16.972 ( 0.000 6.024 0.000) 6.024 17.001 ( 0.000 0.547 0.000) 0.547 17.008 ( 0.000 -0.211 0.000) 0.211 17.102 ( 0.000 -7.544 0.000) 7.544 17.678 ( 0.000 5.966 0.000) 5.966 17.780 ( 0.000 -4.729 0.000) 4.729 17.990 ( 0.000 1.120 0.000) 1.120 18.009 ( 0.000 -0.888 0.000) 0.888 18.033 ( 0.000 0.480 0.000) 0.480 18.040 ( 0.000 -0.288 0.000) 0.288 18.121 ( 0.000 0.074 0.000) 0.074 18.122 ( 0.000 -0.126 0.000) 0.126 18.126 ( 0.000 0.078 0.000) 0.078 18.127 ( 0.000 -0.025 0.000) 0.025 18.374 ( 0.000 0.016 0.000) 0.016 18.374 ( 0.000 -0.016 0.000) 0.016 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 12.446 25.591 0.000) 28.457 0.672 ( 15.856 19.457 0.000) 25.099 1.065 ( 10.825 -23.448 0.000) 25.826 1.162 ( 8.199 -26.950 0.000) 28.169 1.305 ( 18.732 41.747 0.000) 45.757 1.771 ( 1.214 11.373 0.000) 11.438 1.873 ( 4.942 13.029 0.000) 13.935 1.931 ( 3.652 -5.185 0.000) 6.342 2.012 ( -3.683 -2.590 0.000) 4.502 2.142 ( -3.771 -0.012 0.000) 3.771 2.162 ( 5.590 -4.954 0.000) 7.469 2.232 ( 11.791 -12.135 0.000) 16.920 2.365 ( 3.915 -4.497 0.000) 5.963 2.413 ( 0.680 -0.319 0.000) 0.752 2.439 ( 5.989 -10.619 0.000) 12.192 2.536 ( 0.787 -8.505 0.000) 8.541 2.601 ( 1.765 -1.338 0.000) 2.215 2.611 ( -1.898 0.919 0.000) 2.108 2.646 ( -2.306 -1.127 0.000) 2.567 2.679 ( 6.954 -9.453 0.000) 11.735 2.835 ( -0.590 -0.300 0.000) 0.662 2.861 ( 2.884 -2.780 0.000) 4.006 2.964 ( -3.298 8.720 0.000) 9.323 3.029 ( -1.757 3.354 0.000) 3.787 3.063 ( 3.423 1.056 0.000) 3.583 3.087 ( -2.664 5.362 0.000) 5.987 3.100 ( 3.686 -2.226 0.000) 4.306 3.138 ( -2.638 -0.395 0.000) 2.668 3.151 ( -6.280 1.199 0.000) 6.393 3.202 ( -6.382 -2.960 0.000) 7.035 3.249 ( 1.270 -2.708 0.000) 2.991 3.291 ( 2.099 -6.903 0.000) 7.215 3.425 ( -0.494 5.350 0.000) 5.373 3.511 ( 5.050 2.982 0.000) 5.865 3.530 ( 1.767 -2.388 0.000) 2.971 3.594 ( 0.004 1.909 0.000) 1.909 3.597 ( 0.806 -4.447 0.000) 4.520 3.625 ( -3.800 1.146 0.000) 3.969 3.630 ( -3.235 -1.527 0.000) 3.578 3.657 ( -2.080 -3.053 0.000) 3.694 3.710 ( -3.210 1.304 0.000) 3.465 3.732 ( -3.882 -0.576 0.000) 3.925 3.741 ( -0.540 3.073 0.000) 3.120 3.783 ( 0.135 -0.413 0.000) 0.434 3.861 ( -0.797 1.566 0.000) 1.757 3.898 ( 3.388 4.513 0.000) 5.643 3.918 ( 4.461 -5.668 0.000) 7.213 3.928 ( 1.588 14.122 0.000) 14.211 4.001 ( 1.086 0.405 0.000) 1.159 4.074 ( 0.718 -1.125 0.000) 1.334 4.151 ( 1.244 4.383 0.000) 4.556 4.194 ( 2.233 0.099 0.000) 2.235 4.206 ( 0.069 1.368 0.000) 1.370 4.235 ( 0.643 -1.393 0.000) 1.534 4.314 ( 1.327 9.176 0.000) 9.272 4.336 ( 1.775 2.986 0.000) 3.473 4.357 ( -0.696 2.179 0.000) 2.288 4.360 ( 0.624 3.132 0.000) 3.194 4.426 ( -0.104 2.886 0.000) 2.888 4.472 ( 0.750 3.727 0.000) 3.802 4.494 ( 2.572 -3.169 0.000) 4.081 4.505 ( 1.894 -3.132 0.000) 3.660 4.544 ( -4.097 -3.477 0.000) 5.373 4.598 ( 0.597 0.013 0.000) 0.598 4.647 ( -0.581 -8.666 0.000) 8.685 4.649 ( -2.607 -2.454 0.000) 3.580 4.655 ( -2.268 4.647 0.000) 5.171 4.722 ( -0.986 4.162 0.000) 4.277 4.741 ( 1.110 -5.713 0.000) 5.820 4.858 ( -2.480 -10.290 0.000) 10.585 4.900 ( 3.264 1.078 0.000) 3.437 4.911 ( -3.583 2.810 0.000) 4.554 4.963 ( -0.894 -1.478 0.000) 1.728 5.018 ( 2.199 -7.372 0.000) 7.693 5.063 ( 1.624 2.104 0.000) 2.658 5.102 ( 1.697 -2.106 0.000) 2.705 5.182 ( 5.914 1.296 0.000) 6.054 5.199 ( 1.687 -2.569 0.000) 3.073 5.219 ( -0.663 -1.847 0.000) 1.962 5.240 ( -0.485 -3.884 0.000) 3.914 5.288 ( 0.367 6.977 0.000) 6.986 5.355 ( 3.326 5.440 0.000) 6.376 5.369 ( -1.318 4.679 0.000) 4.861 5.416 ( 0.026 1.247 0.000) 1.248 5.425 ( -2.983 -0.699 0.000) 3.064 5.471 ( -8.816 5.932 0.000) 10.626 5.501 ( -0.442 -6.356 0.000) 6.372 5.562 ( -5.793 -3.526 0.000) 6.782 5.696 ( -1.468 -3.962 0.000) 4.226 5.705 ( -7.326 0.852 0.000) 7.375 5.732 ( -0.929 -5.251 0.000) 5.332 5.781 ( -9.170 -4.871 0.000) 10.384 5.904 ( 1.047 7.459 0.000) 7.532 5.908 ( -0.783 2.534 0.000) 2.652 5.946 ( -1.597 3.589 0.000) 3.929 5.985 ( -0.833 -3.999 0.000) 4.085 6.061 ( 0.669 -1.717 0.000) 1.842 6.064 ( -0.230 0.519 0.000) 0.567 6.084 ( -0.561 -4.582 0.000) 4.616 6.086 ( 1.016 -2.873 0.000) 3.047 6.139 ( -1.838 -0.688 0.000) 1.963 6.146 ( -1.552 -1.721 0.000) 2.317 6.180 ( -0.880 9.338 0.000) 9.380 6.267 ( 0.569 3.649 0.000) 3.693 6.301 ( -0.523 -1.519 0.000) 1.607 6.329 ( -3.079 -2.082 0.000) 3.717 6.343 ( -1.071 -0.767 0.000) 1.318 6.349 ( -1.802 -1.240 0.000) 2.188 6.387 ( 2.507 0.778 0.000) 2.625 6.421 ( -0.719 -3.186 0.000) 3.266 6.432 ( -1.464 1.253 0.000) 1.927 6.466 ( -0.743 -2.314 0.000) 2.430 6.518 ( -4.916 2.202 0.000) 5.387 6.555 ( -6.635 -1.362 0.000) 6.773 6.606 ( -1.431 4.011 0.000) 4.259 6.664 ( 1.233 -2.325 0.000) 2.631 6.773 ( -0.652 4.888 0.000) 4.931 6.807 ( 3.648 1.041 0.000) 3.794 6.837 ( -2.039 0.041 0.000) 2.040 6.843 ( 1.856 -1.345 0.000) 2.292 6.849 ( 3.068 5.548 0.000) 6.340 6.899 ( 0.378 0.083 0.000) 0.387 6.932 ( -0.552 -1.852 0.000) 1.932 6.937 ( -0.751 -2.071 0.000) 2.202 6.998 ( -2.954 0.210 0.000) 2.961 7.011 ( -2.112 -0.425 0.000) 2.154 7.021 ( 2.250 5.967 0.000) 6.377 7.047 ( 3.163 3.263 0.000) 4.545 7.111 ( 1.905 -2.747 0.000) 3.343 7.128 ( 1.868 -1.183 0.000) 2.211 7.190 ( 2.086 2.147 0.000) 2.993 7.195 ( 5.676 0.644 0.000) 5.712 7.240 ( 7.231 -2.016 0.000) 7.507 7.241 ( 1.202 -0.677 0.000) 1.379 7.260 ( 3.264 0.869 0.000) 3.378 7.275 ( 0.801 0.327 0.000) 0.865 7.305 ( -3.031 -2.614 0.000) 4.002 7.314 ( 5.533 3.720 0.000) 6.667 7.384 ( 2.445 -4.909 0.000) 5.484 7.413 ( 0.080 -0.156 0.000) 0.176 7.429 ( -0.992 -0.656 0.000) 1.189 7.463 ( 3.601 0.457 0.000) 3.630 7.465 ( 4.124 -6.261 0.000) 7.497 7.506 ( 3.161 -3.397 0.000) 4.641 7.584 ( 0.887 1.768 0.000) 1.978 7.613 ( 2.302 -0.924 0.000) 2.481 7.727 ( 1.187 5.104 0.000) 5.240 7.752 ( 1.920 7.507 0.000) 7.748 7.794 ( 3.071 -0.835 0.000) 3.182 7.804 ( 0.829 2.200 0.000) 2.351 7.841 ( -0.032 -1.672 0.000) 1.672 7.854 ( -0.230 -2.615 0.000) 2.625 7.880 ( 1.198 -4.056 0.000) 4.229 7.886 ( 3.315 -4.055 0.000) 5.238 7.925 ( 1.763 1.091 0.000) 2.074 7.946 ( 2.667 -0.975 0.000) 2.840 7.991 ( -0.321 3.798 0.000) 3.811 8.050 ( 0.177 -3.098 0.000) 3.103 8.276 ( -6.121 0.424 0.000) 6.136 8.312 ( -5.276 -2.745 0.000) 5.948 8.365 ( -1.074 10.044 0.000) 10.101 8.479 ( -1.614 5.407 0.000) 5.643 8.481 ( 4.040 4.534 0.000) 6.073 8.504 ( -1.380 -1.322 0.000) 1.911 8.543 ( -0.419 -2.098 0.000) 2.140 8.612 ( 1.666 -9.968 0.000) 10.106 8.627 ( 2.264 2.967 0.000) 3.732 8.679 ( 3.888 -2.435 0.000) 4.588 9.003 ( -0.899 2.351 0.000) 2.517 9.036 ( -0.452 -0.131 0.000) 0.471 9.049 ( 0.130 -1.351 0.000) 1.358 9.081 ( -2.250 -4.421 0.000) 4.961 9.159 ( 0.157 2.889 0.000) 2.894 9.193 ( -0.811 -0.778 0.000) 1.124 9.302 ( -1.607 8.691 0.000) 8.838 9.325 ( 3.800 1.496 0.000) 4.084 9.374 ( 0.020 -1.273 0.000) 1.273 9.386 ( 2.136 -4.627 0.000) 5.097 9.470 ( 2.383 2.120 0.000) 3.190 9.490 ( -1.331 5.484 0.000) 5.643 9.536 ( -2.568 -2.631 0.000) 3.677 9.554 ( -0.705 0.849 0.000) 1.104 9.570 ( 4.643 -1.380 0.000) 4.843 9.578 ( -0.788 -1.000 0.000) 1.273 9.687 ( 1.067 0.780 0.000) 1.322 9.702 ( 2.059 -0.398 0.000) 2.097 9.783 ( -1.187 5.018 0.000) 5.156 9.823 ( 2.531 -2.219 0.000) 3.367 9.831 ( 3.485 -5.937 0.000) 6.884 9.854 ( -0.101 -2.564 0.000) 2.566 10.049 ( -1.923 1.367 0.000) 2.359 10.090 ( -2.356 -2.925 0.000) 3.756 10.126 ( 1.445 1.721 0.000) 2.247 10.180 ( 2.889 -4.768 0.000) 5.575 10.372 ( 1.899 0.190 0.000) 1.908 10.382 ( 2.236 -0.502 0.000) 2.292 10.668 ( 1.286 4.653 0.000) 4.828 10.763 ( 0.149 -5.435 0.000) 5.437 10.885 ( -6.251 2.215 0.000) 6.631 10.918 ( -4.704 -1.355 0.000) 4.896 11.039 ( -8.696 12.075 0.000) 14.880 11.094 ( -1.924 4.774 0.000) 5.147 11.170 ( -2.512 -3.236 0.000) 4.096 11.223 ( -7.045 -8.394 0.000) 10.959 11.591 ( -8.077 5.419 0.000) 9.726 11.665 ( -9.375 -2.684 0.000) 9.752 11.697 ( -7.962 1.100 0.000) 8.038 11.750 ( -5.643 -4.613 0.000) 7.288 15.595 ( 1.132 0.147 0.000) 1.142 15.599 ( 1.267 -0.267 0.000) 1.295 15.805 ( 0.004 4.246 0.000) 4.246 15.900 ( 0.102 -5.666 0.000) 5.667 15.928 ( -1.869 1.279 0.000) 2.265 15.964 ( -2.522 -2.270 0.000) 3.393 16.012 ( 5.031 0.113 0.000) 5.033 16.022 ( 4.625 -1.507 0.000) 4.864 16.232 ( 0.930 6.950 0.000) 7.012 16.330 ( 1.060 -3.868 0.000) 4.010 16.345 ( -7.910 7.175 0.000) 10.679 16.430 ( -9.664 -2.456 0.000) 9.971 16.708 ( 4.610 3.125 0.000) 5.569 16.772 ( 2.529 -3.549 0.000) 4.358 16.816 ( 0.118 1.021 0.000) 1.028 16.840 ( -0.189 -1.448 0.000) 1.460 16.991 ( -0.208 3.315 0.000) 3.321 17.011 ( 0.873 0.502 0.000) 1.007 17.018 ( 0.847 -0.226 0.000) 0.877 17.073 ( -3.833 -4.910 0.000) 6.228 17.548 ( -10.769 2.740 0.000) 11.112 17.572 ( -11.757 0.490 0.000) 11.767 17.886 ( -9.047 1.340 0.000) 9.146 17.915 ( -8.899 -1.529 0.000) 9.030 18.088 ( 2.464 1.618 0.000) 2.948 18.113 ( -0.301 0.284 0.000) 0.414 18.119 ( -0.095 -0.316 0.000) 0.330 18.136 ( 2.096 -3.814 0.000) 4.352 18.143 ( 1.156 0.050 0.000) 1.157 18.144 ( 1.151 -0.017 0.000) 1.151 18.295 ( -2.463 4.731 0.000) 5.334 18.398 ( -1.356 -7.078 0.000) 7.206 ======================= Grid point 11 (8/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 17.050 14.924 0.000) 22.659 1.055 ( 19.604 12.813 0.000) 23.420 1.349 ( 15.356 -19.103 0.000) 24.510 1.374 ( 11.060 -25.049 0.000) 27.382 1.731 ( 19.173 26.256 0.000) 32.511 1.820 ( 2.297 0.796 0.000) 2.431 1.858 ( -3.369 -3.194 0.000) 4.642 2.059 ( 6.790 -5.795 0.000) 8.927 2.110 ( 10.823 14.882 0.000) 18.401 2.115 ( 2.696 8.972 0.000) 9.369 2.283 ( 4.311 -1.164 0.000) 4.466 2.334 ( -0.026 -13.919 0.000) 13.919 2.416 ( 0.614 2.834 0.000) 2.900 2.529 ( 6.455 4.612 0.000) 7.934 2.563 ( 0.554 3.688 0.000) 3.730 2.569 ( 2.931 -10.496 0.000) 10.897 2.617 ( 1.399 -3.841 0.000) 4.088 2.624 ( 8.017 -4.403 0.000) 9.147 2.670 ( 2.912 6.788 0.000) 7.386 2.789 ( 1.604 -1.813 0.000) 2.421 2.856 ( -0.558 3.721 0.000) 3.763 2.879 ( -4.486 3.031 0.000) 5.414 2.940 ( -5.120 -5.830 0.000) 7.759 2.948 ( -10.264 2.260 0.000) 10.509 3.024 ( 9.466 -5.737 0.000) 11.069 3.043 ( -0.511 5.024 0.000) 5.050 3.067 ( -0.683 -6.316 0.000) 6.353 3.109 ( -0.373 -0.733 0.000) 0.822 3.117 ( -0.762 -2.440 0.000) 2.556 3.150 ( 0.019 -4.063 0.000) 4.063 3.276 ( 1.320 0.099 0.000) 1.324 3.330 ( 0.901 -3.534 0.000) 3.648 3.416 ( -2.900 5.097 0.000) 5.864 3.502 ( -4.777 -0.640 0.000) 4.820 3.514 ( -5.512 -0.499 0.000) 5.535 3.544 ( -5.157 -1.825 0.000) 5.471 3.547 ( -2.485 -3.384 0.000) 4.198 3.574 ( -0.344 -0.698 0.000) 0.779 3.574 ( -1.678 -2.546 0.000) 3.049 3.581 ( -0.669 -1.603 0.000) 1.737 3.685 ( 1.876 2.376 0.000) 3.028 3.708 ( -1.889 7.097 0.000) 7.344 3.754 ( 4.376 -3.008 0.000) 5.310 3.804 ( 1.580 -2.641 0.000) 3.078 3.839 ( 0.481 3.577 0.000) 3.610 3.900 ( -3.087 7.383 0.000) 8.002 3.975 ( 0.783 1.346 0.000) 1.557 3.984 ( 1.135 -10.330 0.000) 10.392 4.014 ( 0.630 4.862 0.000) 4.903 4.108 ( 4.469 -1.771 0.000) 4.807 4.165 ( -1.219 3.595 0.000) 3.796 4.236 ( 1.656 0.806 0.000) 1.842 4.241 ( 0.995 0.403 0.000) 1.073 4.264 ( 1.024 -2.230 0.000) 2.454 4.328 ( -2.807 3.926 0.000) 4.826 4.336 ( 0.309 4.347 0.000) 4.358 4.356 ( -1.010 -0.738 0.000) 1.251 4.360 ( 0.282 1.025 0.000) 1.064 4.427 ( -0.512 6.153 0.000) 6.174 4.456 ( 0.972 1.988 0.000) 2.212 4.535 ( -1.413 -1.682 0.000) 2.196 4.550 ( 2.212 -1.379 0.000) 2.606 4.552 ( -4.610 -0.202 0.000) 4.614 4.559 ( 4.322 2.236 0.000) 4.866 4.587 ( -1.023 -4.046 0.000) 4.173 4.618 ( -0.618 -5.364 0.000) 5.399 4.698 ( 6.397 3.633 0.000) 7.357 4.705 ( -0.057 3.284 0.000) 3.284 4.767 ( -4.949 -3.248 0.000) 5.920 4.812 ( 4.207 -6.978 0.000) 8.148 4.865 ( -0.983 6.803 0.000) 6.874 4.954 ( 1.055 0.498 0.000) 1.167 4.972 ( 1.658 -1.688 0.000) 2.366 5.029 ( -0.656 -5.077 0.000) 5.119 5.094 ( 0.623 0.745 0.000) 0.971 5.133 ( 0.909 -2.234 0.000) 2.412 5.164 ( -8.059 0.173 0.000) 8.061 5.191 ( 0.846 6.784 0.000) 6.837 5.196 ( -2.011 -2.511 0.000) 3.217 5.272 ( 3.343 -2.775 0.000) 4.345 5.311 ( -5.594 2.089 0.000) 5.971 5.313 ( -4.239 6.831 0.000) 8.039 5.326 ( -3.424 0.639 0.000) 3.483 5.332 ( 2.330 1.928 0.000) 3.024 5.393 ( -0.284 -1.836 0.000) 1.858 5.456 ( -6.459 -5.791 0.000) 8.675 5.492 ( 4.454 6.656 0.000) 8.009 5.541 ( -5.260 0.502 0.000) 5.284 5.550 ( 5.296 6.324 0.000) 8.249 5.637 ( -5.100 -8.599 0.000) 9.997 5.639 ( -1.796 -7.304 0.000) 7.522 5.718 ( 0.174 -7.172 0.000) 7.174 5.868 ( -3.572 7.100 0.000) 7.948 5.903 ( -2.131 5.223 0.000) 5.641 5.916 ( 0.891 2.360 0.000) 2.523 5.972 ( 0.828 -2.776 0.000) 2.897 6.007 ( -3.738 -4.169 0.000) 5.599 6.031 ( -3.077 -2.937 0.000) 4.254 6.063 ( -1.157 1.610 0.000) 1.982 6.095 ( -2.843 0.813 0.000) 2.957 6.104 ( 0.226 -2.149 0.000) 2.161 6.148 ( -2.480 -4.821 0.000) 5.421 6.199 ( 4.173 5.171 0.000) 6.645 6.211 ( -6.258 1.894 0.000) 6.538 6.240 ( -4.595 -0.963 0.000) 4.695 6.271 ( 0.023 1.690 0.000) 1.690 6.315 ( -1.523 -2.302 0.000) 2.760 6.328 ( -3.520 1.693 0.000) 3.906 6.353 ( 1.290 -2.058 0.000) 2.429 6.367 ( -3.280 -1.523 0.000) 3.616 6.391 ( -1.884 0.425 0.000) 1.932 6.440 ( -1.067 -2.467 0.000) 2.688 6.492 ( 1.451 4.020 0.000) 4.274 6.567 ( 3.892 -2.811 0.000) 4.801 6.624 ( 2.406 4.831 0.000) 5.397 6.716 ( 2.746 -5.163 0.000) 5.847 6.726 ( -3.089 2.390 0.000) 3.906 6.773 ( -3.754 -1.672 0.000) 4.110 6.852 ( 0.575 2.412 0.000) 2.480 6.879 ( 2.074 -0.394 0.000) 2.111 6.903 ( -0.032 0.402 0.000) 0.403 6.907 ( -1.758 0.516 0.000) 1.832 6.912 ( 1.747 0.359 0.000) 1.784 6.944 ( 2.390 -2.642 0.000) 3.562 6.951 ( -2.532 1.703 0.000) 3.051 6.982 ( 0.178 -1.558 0.000) 1.568 7.070 ( -1.366 2.005 0.000) 2.426 7.078 ( 3.218 5.013 0.000) 5.957 7.145 ( -2.072 -3.789 0.000) 4.318 7.155 ( 2.253 -3.543 0.000) 4.198 7.226 ( -0.878 1.923 0.000) 2.114 7.226 ( 0.689 1.633 0.000) 1.772 7.256 ( -0.606 -0.875 0.000) 1.064 7.265 ( 1.282 -2.625 0.000) 2.921 7.321 ( 1.455 0.853 0.000) 1.687 7.347 ( 2.184 -1.177 0.000) 2.481 7.358 ( 4.915 5.952 0.000) 7.720 7.403 ( 2.731 6.327 0.000) 6.891 7.414 ( 0.273 2.012 0.000) 2.030 7.427 ( 1.721 0.915 0.000) 1.949 7.505 ( 7.262 -3.042 0.000) 7.873 7.548 ( 2.890 -0.976 0.000) 3.050 7.563 ( 2.744 -4.279 0.000) 5.083 7.580 ( 3.475 -4.195 0.000) 5.447 7.606 ( 2.025 4.999 0.000) 5.394 7.675 ( 3.611 -0.462 0.000) 3.641 7.766 ( 2.340 -2.159 0.000) 3.183 7.777 ( -0.451 7.382 0.000) 7.396 7.829 ( -0.579 -6.366 0.000) 6.392 7.829 ( 0.466 0.751 0.000) 0.884 7.841 ( 1.252 -0.164 0.000) 1.263 7.885 ( 3.917 1.329 0.000) 4.137 7.912 ( 0.405 -4.612 0.000) 4.630 7.919 ( 3.426 -2.335 0.000) 4.146 7.986 ( -0.038 4.113 0.000) 4.113 7.995 ( 3.086 0.529 0.000) 3.131 8.016 ( 3.171 -3.362 0.000) 4.621 8.058 ( 0.744 -3.770 0.000) 3.843 8.165 ( -3.252 1.830 0.000) 3.732 8.214 ( -3.706 -3.738 0.000) 5.263 8.351 ( 0.379 7.270 0.000) 7.279 8.458 ( -1.980 -3.648 0.000) 4.150 8.473 ( 1.396 6.681 0.000) 6.825 8.546 ( 1.160 -1.647 0.000) 2.014 8.594 ( 5.389 3.280 0.000) 6.308 8.651 ( 2.070 -3.724 0.000) 4.261 8.652 ( 0.281 4.448 0.000) 4.457 8.732 ( 0.918 -3.487 0.000) 3.606 8.995 ( -0.532 0.945 0.000) 1.085 9.020 ( -1.354 -0.187 0.000) 1.367 9.047 ( -0.304 -2.872 0.000) 2.888 9.069 ( 1.027 -5.856 0.000) 5.946 9.155 ( -1.219 1.321 0.000) 1.797 9.171 ( -0.976 -0.338 0.000) 1.033 9.219 ( -6.028 13.013 0.000) 14.341 9.370 ( -0.939 -2.963 0.000) 3.108 9.412 ( 3.921 1.087 0.000) 4.068 9.439 ( -0.596 -0.322 0.000) 0.677 9.439 ( 2.262 -1.533 0.000) 2.732 9.464 ( -3.153 -2.757 0.000) 4.189 9.511 ( -1.783 2.762 0.000) 3.287 9.569 ( -1.064 -3.338 0.000) 3.503 9.577 ( 3.691 6.914 0.000) 7.837 9.622 ( 0.453 1.326 0.000) 1.401 9.749 ( 3.202 4.563 0.000) 5.574 9.760 ( 4.038 0.598 0.000) 4.082 9.773 ( 2.312 1.052 0.000) 2.540 9.833 ( -1.043 -3.348 0.000) 3.506 9.864 ( 1.274 -5.013 0.000) 5.173 9.878 ( 2.248 -6.280 0.000) 6.671 10.041 ( 1.325 0.547 0.000) 1.433 10.057 ( 0.309 -1.263 0.000) 1.300 10.141 ( -0.385 4.860 0.000) 4.876 10.246 ( 2.352 -7.331 0.000) 7.699 10.409 ( 2.061 1.641 0.000) 2.634 10.439 ( 2.590 -1.372 0.000) 2.931 10.714 ( 3.444 3.151 0.000) 4.668 10.718 ( -9.277 4.055 0.000) 10.124 10.773 ( -9.025 -1.989 0.000) 9.242 10.777 ( 1.604 -3.424 0.000) 3.781 10.852 ( -9.699 9.385 0.000) 13.496 11.032 ( -10.510 -8.999 0.000) 13.836 11.042 ( -2.748 3.426 0.000) 4.392 11.100 ( -3.830 -2.610 0.000) 4.635 11.363 ( -12.581 3.275 0.000) 13.001 11.405 ( -13.389 -1.159 0.000) 13.439 11.504 ( -10.896 2.580 0.000) 11.197 11.568 ( -11.092 -3.883 0.000) 11.752 15.631 ( 2.257 0.178 0.000) 2.264 15.637 ( 2.300 -0.451 0.000) 2.344 15.824 ( 1.914 4.264 0.000) 4.674 15.882 ( -2.480 0.287 0.000) 2.496 15.903 ( -3.150 -1.742 0.000) 3.600 15.919 ( 1.664 -5.852 0.000) 6.084 16.140 ( 6.983 0.470 0.000) 6.999 16.152 ( 7.654 -0.814 0.000) 7.697 16.215 ( -5.542 2.802 0.000) 6.210 16.242 ( -7.688 0.032 0.000) 7.688 16.277 ( 3.811 6.280 0.000) 7.346 16.373 ( 3.329 -4.041 0.000) 5.236 16.774 ( -0.081 0.828 0.000) 0.832 16.789 ( -0.184 -0.207 0.000) 0.277 16.826 ( 0.848 0.782 0.000) 1.154 16.843 ( 0.540 -0.972 0.000) 1.112 16.933 ( -4.626 0.402 0.000) 4.643 16.954 ( -6.461 -1.667 0.000) 6.672 17.037 ( 1.733 0.397 0.000) 1.778 17.044 ( 1.708 -0.242 0.000) 1.725 17.275 ( -14.349 1.245 0.000) 14.403 17.300 ( -14.227 -1.081 0.000) 14.268 17.649 ( -12.564 1.115 0.000) 12.613 17.673 ( -13.082 -1.268 0.000) 13.143 18.105 ( -0.432 1.353 0.000) 1.420 18.106 ( -0.461 0.548 0.000) 0.716 18.117 ( -0.133 -0.626 0.000) 0.640 18.137 ( -0.880 -2.111 0.000) 2.287 18.169 ( 1.303 0.184 0.000) 1.316 18.172 ( 1.544 -0.104 0.000) 1.548 18.271 ( -0.471 4.329 0.000) 4.354 18.357 ( -2.275 -4.717 0.000) 5.237 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 14.083 9.021 0.000) 16.724 1.459 ( 17.738 8.222 0.000) 19.550 1.587 ( 8.645 -19.756 0.000) 21.564 1.669 ( 13.112 -14.668 0.000) 19.674 1.775 ( -2.242 3.357 0.000) 4.037 1.878 ( 1.744 -7.610 0.000) 7.807 2.021 ( 5.783 14.934 0.000) 16.015 2.176 ( 5.808 6.570 0.000) 8.769 2.252 ( 4.866 -5.942 0.000) 7.680 2.283 ( -1.749 -5.275 0.000) 5.557 2.304 ( 3.088 7.674 0.000) 8.272 2.354 ( 5.481 4.827 0.000) 7.304 2.474 ( 3.113 7.469 0.000) 8.092 2.507 ( -4.309 1.389 0.000) 4.528 2.570 ( -0.259 0.132 0.000) 0.291 2.572 ( -2.031 -4.965 0.000) 5.364 2.652 ( -0.327 8.738 0.000) 8.745 2.741 ( -3.772 1.384 0.000) 4.018 2.755 ( 2.836 -0.762 0.000) 2.936 2.786 ( -0.435 -1.213 0.000) 1.289 2.793 ( -3.324 -6.058 0.000) 6.910 2.815 ( 1.219 4.259 0.000) 4.430 2.833 ( 7.419 5.000 0.000) 8.947 2.886 ( 1.412 -8.599 0.000) 8.715 3.003 ( -5.263 -0.798 0.000) 5.323 3.055 ( 0.084 3.667 0.000) 3.668 3.069 ( -4.503 -8.742 0.000) 9.833 3.111 ( 0.079 0.635 0.000) 0.640 3.180 ( -0.360 -0.647 0.000) 0.740 3.206 ( -9.413 1.161 0.000) 9.484 3.219 ( 6.871 -4.684 0.000) 8.316 3.253 ( -9.885 -3.205 0.000) 10.391 3.365 ( 2.604 2.960 0.000) 3.942 3.390 ( -4.576 2.503 0.000) 5.216 3.413 ( 2.968 -1.131 0.000) 3.177 3.513 ( -1.344 4.557 0.000) 4.751 3.547 ( -0.648 -5.260 0.000) 5.300 3.576 ( 3.069 -2.929 0.000) 4.242 3.599 ( 1.823 -3.132 0.000) 3.624 3.614 ( 0.177 -0.194 0.000) 0.262 3.670 ( -0.132 8.644 0.000) 8.645 3.741 ( 2.592 8.632 0.000) 9.013 3.819 ( 0.775 -5.923 0.000) 5.973 3.827 ( 4.227 5.211 0.000) 6.710 3.893 ( 6.273 1.236 0.000) 6.393 3.937 ( 5.744 -11.326 0.000) 12.699 3.949 ( -0.150 -4.232 0.000) 4.234 3.982 ( -0.065 -11.309 0.000) 11.309 4.060 ( 0.957 5.535 0.000) 5.617 4.129 ( -1.241 3.401 0.000) 3.620 4.164 ( -3.125 -1.938 0.000) 3.678 4.192 ( -6.254 1.167 0.000) 6.362 4.199 ( -1.793 1.004 0.000) 2.055 4.207 ( -5.594 -0.116 0.000) 5.595 4.289 ( 3.104 2.491 0.000) 3.980 4.305 ( -4.963 4.247 0.000) 6.532 4.364 ( -1.961 -1.498 0.000) 2.467 4.379 ( 1.666 -5.323 0.000) 5.577 4.400 ( -1.816 6.643 0.000) 6.887 4.480 ( -2.249 0.710 0.000) 2.359 4.481 ( 0.251 3.983 0.000) 3.991 4.487 ( 0.718 -0.697 0.000) 1.000 4.568 ( -2.345 -9.173 0.000) 9.469 4.599 ( 0.638 -7.224 0.000) 7.252 4.639 ( 5.080 6.195 0.000) 8.012 4.696 ( 6.296 -0.089 0.000) 6.297 4.711 ( 1.437 2.120 0.000) 2.561 4.738 ( 1.902 -0.275 0.000) 1.922 4.785 ( 0.550 2.780 0.000) 2.834 4.843 ( -1.399 5.490 0.000) 5.665 4.852 ( -0.929 -3.827 0.000) 3.938 4.961 ( -9.237 0.672 0.000) 9.262 5.012 ( 1.521 -0.031 0.000) 1.521 5.015 ( 5.518 2.947 0.000) 6.255 5.052 ( 2.836 -0.535 0.000) 2.886 5.104 ( 0.259 0.989 0.000) 1.023 5.126 ( -4.098 -5.227 0.000) 6.641 5.142 ( 1.472 -2.364 0.000) 2.785 5.219 ( -2.463 4.058 0.000) 4.747 5.240 ( 2.161 4.733 0.000) 5.203 5.246 ( -2.846 6.606 0.000) 7.193 5.271 ( -2.422 -0.670 0.000) 2.513 5.295 ( -5.673 4.216 0.000) 7.068 5.332 ( 1.155 -4.399 0.000) 4.548 5.338 ( -4.030 -0.683 0.000) 4.088 5.380 ( 1.914 -3.002 0.000) 3.560 5.455 ( -3.917 -1.493 0.000) 4.192 5.541 ( -4.447 -8.362 0.000) 9.471 5.585 ( 2.378 -0.660 0.000) 2.467 5.606 ( 6.191 -0.827 0.000) 6.246 5.733 ( 4.484 -0.227 0.000) 4.490 5.766 ( 5.378 -1.369 0.000) 5.550 5.775 ( -5.497 8.078 0.000) 9.771 5.849 ( -2.948 3.320 0.000) 4.440 5.919 ( -0.235 5.300 0.000) 5.305 5.937 ( -5.577 -3.459 0.000) 6.562 5.957 ( -3.047 -4.973 0.000) 5.832 6.021 ( 2.208 -5.987 0.000) 6.381 6.029 ( -4.455 -0.633 0.000) 4.500 6.030 ( -0.547 6.219 0.000) 6.243 6.044 ( -2.414 -2.858 0.000) 3.741 6.098 ( -2.700 2.984 0.000) 4.024 6.136 ( 2.721 -3.654 0.000) 4.556 6.139 ( -5.052 -1.461 0.000) 5.259 6.259 ( -0.991 2.175 0.000) 2.390 6.286 ( -1.335 2.155 0.000) 2.535 6.296 ( 2.209 -0.798 0.000) 2.349 6.333 ( -0.170 -1.466 0.000) 1.476 6.336 ( 3.905 0.665 0.000) 3.961 6.367 ( 0.473 -0.608 0.000) 0.770 6.429 ( 6.138 -0.785 0.000) 6.188 6.462 ( 4.286 -2.039 0.000) 4.746 6.491 ( -2.488 5.834 0.000) 6.342 6.617 ( 0.176 0.460 0.000) 0.493 6.642 ( -5.809 -1.615 0.000) 6.029 6.681 ( 2.814 3.799 0.000) 4.728 6.699 ( -2.904 -3.515 0.000) 4.559 6.759 ( 1.503 -4.278 0.000) 4.534 6.844 ( -4.915 1.159 0.000) 5.050 6.872 ( -2.255 0.189 0.000) 2.263 6.873 ( 1.406 2.494 0.000) 2.863 6.908 ( 1.353 0.356 0.000) 1.399 6.919 ( -1.880 2.646 0.000) 3.246 6.942 ( 0.954 -0.131 0.000) 0.963 6.978 ( -0.995 -2.296 0.000) 2.503 7.000 ( 2.688 -3.950 0.000) 4.778 7.024 ( -3.996 0.701 0.000) 4.057 7.079 ( -0.081 -3.339 0.000) 3.340 7.160 ( 4.211 1.356 0.000) 4.424 7.186 ( 0.626 -1.201 0.000) 1.354 7.204 ( -1.245 1.390 0.000) 1.866 7.227 ( -0.878 -0.972 0.000) 1.309 7.270 ( 2.314 0.933 0.000) 2.495 7.306 ( 2.987 -2.149 0.000) 3.680 7.315 ( -0.712 4.170 0.000) 4.231 7.351 ( -0.736 0.155 0.000) 0.752 7.419 ( -0.422 0.886 0.000) 0.982 7.423 ( -1.102 2.780 0.000) 2.990 7.442 ( 1.967 1.601 0.000) 2.536 7.476 ( 0.430 -4.747 0.000) 4.766 7.554 ( -0.058 4.319 0.000) 4.319 7.579 ( 1.724 1.258 0.000) 2.134 7.599 ( 0.712 3.677 0.000) 3.745 7.606 ( -1.367 -1.703 0.000) 2.184 7.639 ( 0.070 2.256 0.000) 2.258 7.725 ( -3.445 6.455 0.000) 7.317 7.792 ( 5.858 -4.956 0.000) 7.673 7.801 ( -0.154 -2.348 0.000) 2.353 7.807 ( -2.475 1.997 0.000) 3.181 7.857 ( 5.756 -4.120 0.000) 7.079 7.882 ( 1.592 -2.954 0.000) 3.356 7.936 ( 2.233 -5.362 0.000) 5.808 7.960 ( 1.697 2.155 0.000) 2.743 7.989 ( 3.539 0.854 0.000) 3.640 8.030 ( 4.422 -0.188 0.000) 4.426 8.033 ( 0.180 0.708 0.000) 0.730 8.055 ( 0.517 -2.137 0.000) 2.199 8.075 ( 0.314 -3.893 0.000) 3.905 8.139 ( -0.634 0.584 0.000) 0.861 8.156 ( -2.047 -1.532 0.000) 2.557 8.404 ( 3.811 1.763 0.000) 4.199 8.447 ( 2.561 -1.576 0.000) 3.007 8.515 ( 0.925 8.988 0.000) 9.035 8.570 ( 0.514 3.126 0.000) 3.168 8.665 ( 0.890 2.166 0.000) 2.342 8.684 ( 3.606 -2.161 0.000) 4.204 8.716 ( 3.826 -1.824 0.000) 4.239 8.716 ( -2.152 -4.310 0.000) 4.818 8.974 ( -2.711 1.918 0.000) 3.320 8.985 ( -0.471 4.542 0.000) 4.566 9.038 ( -0.514 -3.089 0.000) 3.131 9.080 ( -5.147 8.473 0.000) 9.914 9.100 ( 0.207 -2.205 0.000) 2.215 9.114 ( -1.571 0.263 0.000) 1.593 9.158 ( -0.251 -2.927 0.000) 2.937 9.299 ( -5.635 -9.358 0.000) 10.924 9.419 ( 0.142 1.698 0.000) 1.704 9.454 ( 0.493 0.244 0.000) 0.550 9.455 ( -0.188 0.193 0.000) 0.270 9.459 ( 0.977 -2.678 0.000) 2.851 9.523 ( 1.696 2.263 0.000) 2.828 9.552 ( -0.263 -0.871 0.000) 0.910 9.589 ( -1.713 2.664 0.000) 3.167 9.618 ( -1.636 -0.578 0.000) 1.735 9.803 ( 4.255 5.182 0.000) 6.705 9.827 ( 1.365 2.981 0.000) 3.279 9.856 ( 3.511 2.790 0.000) 4.485 9.902 ( 7.743 -1.945 0.000) 7.983 9.923 ( 4.639 -7.417 0.000) 8.748 9.933 ( 2.446 -5.099 0.000) 5.655 10.092 ( -4.396 7.385 0.000) 8.594 10.105 ( 5.652 2.084 0.000) 6.024 10.126 ( 5.659 -0.541 0.000) 5.685 10.239 ( -3.848 -9.002 0.000) 9.790 10.474 ( 4.547 0.913 0.000) 4.638 10.488 ( 2.331 -0.527 0.000) 2.390 10.507 ( -10.693 2.240 0.000) 10.925 10.546 ( -12.285 -2.106 0.000) 12.465 10.659 ( -7.459 9.260 0.000) 11.890 10.810 ( -10.240 -6.907 0.000) 12.352 10.823 ( 6.959 1.048 0.000) 7.038 10.850 ( 5.737 -1.709 0.000) 5.986 10.995 ( -1.173 1.931 0.000) 2.260 11.027 ( -2.600 -1.349 0.000) 2.929 11.117 ( -9.637 1.992 0.000) 9.841 11.148 ( -10.390 -1.396 0.000) 10.483 11.257 ( -12.037 2.910 0.000) 12.384 11.310 ( -12.950 -2.605 0.000) 13.210 15.687 ( 3.059 0.099 0.000) 3.060 15.693 ( 3.055 -0.576 0.000) 3.109 15.824 ( -3.095 -0.019 0.000) 3.095 15.834 ( -3.408 -1.120 0.000) 3.587 15.884 ( 3.670 4.096 0.000) 5.500 15.967 ( 2.842 -4.633 0.000) 5.435 16.088 ( -6.012 2.649 0.000) 6.570 16.122 ( -4.520 -0.763 0.000) 4.584 16.300 ( 8.078 1.295 0.000) 8.181 16.328 ( 8.852 -1.260 0.000) 8.942 16.407 ( 8.724 4.306 0.000) 9.729 16.483 ( 7.426 -3.460 0.000) 8.192 16.671 ( -8.340 0.999 0.000) 8.399 16.712 ( -8.003 -2.054 0.000) 8.262 16.833 ( -5.981 1.077 0.000) 6.077 16.850 ( 1.358 0.618 0.000) 1.492 16.861 ( 1.081 -0.503 0.000) 1.192 16.868 ( -2.533 -1.794 0.000) 3.104 16.995 ( -10.802 0.899 0.000) 10.839 17.001 ( -12.626 0.365 0.000) 12.632 17.092 ( 3.768 0.329 0.000) 3.783 17.099 ( 3.821 -0.316 0.000) 3.834 17.396 ( -10.945 0.600 0.000) 10.962 17.410 ( -11.299 -0.794 0.000) 11.327 18.092 ( -0.563 1.217 0.000) 1.341 18.095 ( -0.555 0.876 0.000) 1.037 18.114 ( -0.190 -1.092 0.000) 1.109 18.120 ( -0.633 -1.772 0.000) 1.881 18.197 ( 1.347 0.687 0.000) 1.512 18.208 ( 1.890 -0.474 0.000) 1.949 18.255 ( -1.150 2.778 0.000) 3.007 18.305 ( -2.600 -2.431 0.000) 3.559 ======================= Grid point 13 (10/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -8.583 3.785 0.000) 9.381 1.567 ( 8.583 3.785 0.000) 9.381 1.723 ( -3.462 -11.713 0.000) 12.213 1.723 ( 3.462 -11.713 0.000) 12.213 1.911 ( -12.076 6.865 0.000) 13.891 1.911 ( 12.076 6.865 0.000) 13.891 2.057 ( -13.101 -7.500 0.000) 15.096 2.057 ( 13.101 -7.500 0.000) 15.096 2.296 ( -3.406 10.599 0.000) 11.133 2.296 ( 3.406 10.599 0.000) 11.133 2.386 ( -0.959 2.105 0.000) 2.313 2.386 ( 0.959 2.105 0.000) 2.313 2.515 ( -0.997 0.004 0.000) 0.997 2.515 ( 0.997 0.004 0.000) 0.997 2.548 ( -4.497 -2.978 0.000) 5.394 2.548 ( 4.497 -2.978 0.000) 5.394 2.660 ( -1.390 4.020 0.000) 4.253 2.660 ( 1.390 4.020 0.000) 4.253 2.787 ( -3.293 -8.167 0.000) 8.806 2.787 ( 3.293 -8.167 0.000) 8.806 2.831 ( -2.655 5.952 0.000) 6.518 2.831 ( 2.655 5.952 0.000) 6.518 2.942 ( -3.793 3.173 0.000) 4.946 2.942 ( 3.793 3.173 0.000) 4.946 2.951 ( -1.621 -4.714 0.000) 4.985 2.951 ( 1.621 -4.714 0.000) 4.985 3.018 ( -3.948 -2.554 0.000) 4.702 3.018 ( 3.948 -2.554 0.000) 4.702 3.129 ( -0.760 2.439 0.000) 2.554 3.129 ( 0.760 2.439 0.000) 2.554 3.217 ( -5.456 -8.443 0.000) 10.053 3.217 ( 5.456 -8.443 0.000) 10.053 3.423 ( -4.677 7.034 0.000) 8.447 3.423 ( 4.677 7.034 0.000) 8.447 3.465 ( -5.542 4.662 0.000) 7.242 3.465 ( 5.542 4.662 0.000) 7.242 3.527 ( -4.797 1.931 0.000) 5.172 3.527 ( 4.798 1.931 0.000) 5.172 3.616 ( -0.197 -7.150 0.000) 7.153 3.616 ( 0.197 -7.150 0.000) 7.153 3.745 ( -3.443 9.801 0.000) 10.388 3.745 ( 3.443 9.801 0.000) 10.388 3.889 ( -0.652 -2.912 0.000) 2.984 3.889 ( 0.652 -2.912 0.000) 2.984 3.981 ( -1.138 -3.229 0.000) 3.424 3.981 ( 1.138 -3.229 0.000) 3.424 4.039 ( -2.130 -7.296 0.000) 7.601 4.039 ( 2.130 -7.296 0.000) 7.601 4.056 ( -3.274 0.696 0.000) 3.347 4.056 ( 3.274 0.696 0.000) 3.347 4.078 ( -4.556 -0.363 0.000) 4.570 4.078 ( 4.556 -0.363 0.000) 4.570 4.194 ( -4.349 3.629 0.000) 5.664 4.194 ( 4.349 3.629 0.000) 5.664 4.234 ( -7.054 -0.330 0.000) 7.061 4.234 ( 7.054 -0.330 0.000) 7.061 4.362 ( -2.356 1.449 0.000) 2.766 4.362 ( 2.356 1.449 0.000) 2.766 4.424 ( -3.418 -4.194 0.000) 5.411 4.424 ( 3.418 -4.194 0.000) 5.411 4.484 ( -0.232 4.032 0.000) 4.039 4.484 ( 0.232 4.032 0.000) 4.039 4.587 ( -2.122 -6.530 0.000) 6.866 4.587 ( 2.122 -6.530 0.000) 6.866 4.724 ( -1.588 2.783 0.000) 3.205 4.724 ( 1.588 2.783 0.000) 3.205 4.778 ( -0.250 -1.496 0.000) 1.516 4.778 ( 0.250 -1.496 0.000) 1.516 4.809 ( -2.844 1.666 0.000) 3.296 4.809 ( 2.844 1.666 0.000) 3.296 4.825 ( -1.390 0.294 0.000) 1.421 4.825 ( 1.390 0.294 0.000) 1.421 5.043 ( -1.533 0.452 0.000) 1.598 5.043 ( 1.533 0.452 0.000) 1.598 5.084 ( -0.312 -3.130 0.000) 3.145 5.084 ( 0.312 -3.130 0.000) 3.145 5.158 ( -4.446 4.054 0.000) 6.017 5.158 ( 4.446 4.054 0.000) 6.017 5.207 ( -1.086 4.035 0.000) 4.179 5.207 ( 1.086 4.035 0.000) 4.179 5.225 ( -1.648 1.133 0.000) 2.000 5.225 ( 1.648 1.133 0.000) 2.000 5.268 ( -2.261 0.875 0.000) 2.424 5.268 ( 2.261 0.875 0.000) 2.424 5.373 ( -3.383 -0.209 0.000) 3.389 5.373 ( 3.383 -0.209 0.000) 3.389 5.453 ( -3.947 -6.900 0.000) 7.949 5.453 ( 3.947 -6.900 0.000) 7.949 5.655 ( -5.076 3.975 0.000) 6.447 5.655 ( 5.076 3.975 0.000) 6.447 5.761 ( -6.510 -2.879 0.000) 7.118 5.761 ( 6.510 -2.879 0.000) 7.118 5.811 ( -4.483 0.135 0.000) 4.485 5.811 ( 4.483 0.135 0.000) 4.485 5.879 ( -4.614 -3.231 0.000) 5.633 5.879 ( 4.614 -3.231 0.000) 5.633 5.936 ( -2.728 4.858 0.000) 5.571 5.936 ( 2.728 4.858 0.000) 5.571 6.040 ( -0.189 -5.046 0.000) 5.050 6.040 ( 0.189 -5.046 0.000) 5.050 6.055 ( -2.636 4.424 0.000) 5.150 6.055 ( 2.636 4.424 0.000) 5.150 6.122 ( -3.032 -0.543 0.000) 3.081 6.122 ( 3.032 -0.543 0.000) 3.081 6.265 ( -0.740 2.300 0.000) 2.416 6.265 ( 0.740 2.300 0.000) 2.416 6.329 ( -0.631 -3.669 0.000) 3.722 6.329 ( 0.631 -3.668 0.000) 3.722 6.411 ( -4.027 4.028 0.000) 5.695 6.411 ( 4.027 4.028 0.000) 5.695 6.475 ( -8.872 0.380 0.000) 8.881 6.475 ( 8.872 0.380 0.000) 8.881 6.560 ( -5.629 -0.569 0.000) 5.657 6.560 ( 5.629 -0.569 0.000) 5.657 6.606 ( -6.866 -2.789 0.000) 7.410 6.606 ( 6.866 -2.789 0.000) 7.410 6.747 ( -3.893 1.658 0.000) 4.231 6.747 ( 3.893 1.658 0.000) 4.231 6.795 ( -2.688 -3.066 0.000) 4.077 6.795 ( 2.688 -3.066 0.000) 4.077 6.894 ( -0.571 2.729 0.000) 2.788 6.894 ( 0.571 2.729 0.000) 2.788 6.955 ( -2.965 2.241 0.000) 3.716 6.955 ( 2.965 2.241 0.000) 3.716 6.958 ( -0.815 -0.328 0.000) 0.879 6.958 ( 0.815 -0.328 0.000) 0.879 7.056 ( -2.485 -4.703 0.000) 5.319 7.056 ( 2.485 -4.703 0.000) 5.319 7.193 ( -0.116 1.208 0.000) 1.213 7.193 ( 0.116 1.208 0.000) 1.213 7.222 ( -1.107 -1.815 0.000) 2.126 7.222 ( 1.107 -1.815 0.000) 2.126 7.309 ( -0.698 4.034 0.000) 4.094 7.309 ( 0.698 4.034 0.000) 4.094 7.358 ( -0.967 -0.015 0.000) 0.967 7.358 ( 0.967 -0.015 0.000) 0.967 7.388 ( -1.475 1.302 0.000) 1.967 7.388 ( 1.475 1.302 0.000) 1.967 7.446 ( -0.955 -4.240 0.000) 4.346 7.446 ( 0.955 -4.240 0.000) 4.346 7.582 ( -0.063 0.670 0.000) 0.673 7.582 ( 0.063 0.670 0.000) 0.673 7.595 ( -1.316 -0.196 0.000) 1.330 7.595 ( 1.316 -0.196 0.000) 1.330 7.666 ( -2.270 5.942 0.000) 6.361 7.666 ( 2.270 5.942 0.000) 6.361 7.767 ( -0.193 -0.039 0.000) 0.197 7.767 ( 0.193 -0.039 0.000) 0.197 7.895 ( -0.772 -2.130 0.000) 2.265 7.895 ( 0.772 -2.130 0.000) 2.265 7.963 ( -3.409 -3.081 0.000) 4.595 7.963 ( 3.409 -3.081 0.000) 4.595 8.003 ( -1.173 -0.401 0.000) 1.239 8.003 ( 1.173 -0.401 0.000) 1.239 8.031 ( -1.535 -2.581 0.000) 3.003 8.031 ( 1.535 -2.581 0.000) 3.003 8.102 ( -2.678 0.794 0.000) 2.793 8.102 ( 2.678 0.794 0.000) 2.793 8.111 ( -2.842 -0.161 0.000) 2.847 8.111 ( 2.842 -0.161 0.000) 2.847 8.470 ( -3.473 6.174 0.000) 7.083 8.470 ( 3.473 6.174 0.000) 7.083 8.563 ( -4.531 -2.309 0.000) 5.086 8.563 ( 4.531 -2.309 0.000) 5.086 8.662 ( -0.086 2.976 0.000) 2.977 8.662 ( 0.086 2.976 0.000) 2.977 8.757 ( -0.835 -6.042 0.000) 6.099 8.757 ( 0.835 -6.042 0.000) 6.099 8.951 ( -1.552 8.152 0.000) 8.299 8.951 ( 1.552 8.152 0.000) 8.299 9.025 ( -0.348 4.600 0.000) 4.613 9.025 ( 0.349 4.600 0.000) 4.613 9.108 ( -0.146 -4.235 0.000) 4.237 9.108 ( 0.146 -4.235 0.000) 4.237 9.186 ( -3.823 -8.518 0.000) 9.336 9.186 ( 3.823 -8.518 0.000) 9.336 9.437 ( -1.153 1.305 0.000) 1.742 9.437 ( 1.153 1.305 0.000) 1.742 9.471 ( -0.326 -2.536 0.000) 2.557 9.471 ( 0.326 -2.536 0.000) 2.557 9.551 ( -1.607 1.113 0.000) 1.955 9.551 ( 1.607 1.113 0.000) 1.955 9.566 ( -1.897 -0.976 0.000) 2.133 9.566 ( 1.897 -0.976 0.000) 2.133 9.866 ( -1.007 5.280 0.000) 5.375 9.866 ( 1.007 5.280 0.000) 5.375 9.927 ( -4.515 6.353 0.000) 7.794 9.927 ( 4.515 6.353 0.000) 7.794 9.997 ( -2.904 -3.203 0.000) 4.324 9.997 ( 2.904 -3.203 0.000) 4.324 10.091 ( -9.133 -6.202 0.000) 11.040 10.091 ( 9.133 -6.202 0.000) 11.040 10.288 ( -9.608 0.059 0.000) 9.608 10.288 ( 9.608 0.059 0.000) 9.608 10.289 ( -11.341 -0.102 0.000) 11.342 10.289 ( 11.341 -0.102 0.000) 11.342 10.549 ( -3.721 3.794 0.000) 5.314 10.549 ( 3.721 3.794 0.000) 5.314 10.612 ( -8.433 -2.715 0.000) 8.860 10.612 ( 8.433 -2.715 0.000) 8.860 10.981 ( -6.488 -0.357 0.000) 6.497 10.981 ( 6.488 -0.357 0.000) 6.497 10.984 ( -4.439 -0.508 0.000) 4.468 10.984 ( 4.439 -0.508 0.000) 4.468 11.040 ( -6.444 1.375 0.000) 6.589 11.040 ( 6.444 1.375 0.000) 6.589 11.057 ( -9.716 -0.515 0.000) 9.729 11.057 ( 9.716 -0.515 0.000) 9.729 15.755 ( -3.340 -0.010 0.000) 3.340 15.755 ( 3.340 -0.010 0.000) 3.340 15.762 ( -3.418 -0.743 0.000) 3.498 15.762 ( 3.418 -0.743 0.000) 3.498 15.974 ( -4.890 3.580 0.000) 6.060 15.974 ( 4.890 3.580 0.000) 6.060 16.036 ( -3.706 -2.785 0.000) 4.636 16.036 ( 3.706 -2.785 0.000) 4.636 16.480 ( -9.150 1.104 0.000) 9.217 16.480 ( 9.150 1.104 0.000) 9.217 16.520 ( -9.468 -1.945 0.000) 9.666 16.520 ( 9.468 -1.945 0.000) 9.666 16.627 ( -11.573 2.842 0.000) 11.917 16.627 ( 11.573 2.842 0.000) 11.917 16.687 ( -11.607 -2.725 0.000) 11.923 16.687 ( 11.607 -2.725 0.000) 11.923 16.880 ( -1.540 0.705 0.000) 1.694 16.880 ( 1.540 0.705 0.000) 1.694 16.889 ( -1.927 0.105 0.000) 1.930 16.889 ( 1.927 0.105 0.000) 1.930 17.205 ( -7.171 0.367 0.000) 7.180 17.205 ( 7.171 0.367 0.000) 7.180 17.214 ( -7.333 -0.499 0.000) 7.350 17.214 ( 7.333 -0.499 0.000) 7.350 18.087 ( -0.108 1.133 0.000) 1.139 18.087 ( 0.108 1.133 0.000) 1.139 18.112 ( -0.114 -1.529 0.000) 1.533 18.112 ( 0.114 -1.529 0.000) 1.533 18.227 ( -1.471 1.534 0.000) 2.125 18.227 ( 1.471 1.534 0.000) 2.125 18.252 ( -2.358 -1.171 0.000) 2.633 18.252 ( 2.358 -1.171 0.000) 2.633 ======================= Grid point 27 (11/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 26.544) 26.544 0.549 ( 0.000 0.000 28.449) 28.449 1.048 ( 0.000 0.000 53.007) 53.007 1.523 ( 0.000 0.000 18.907) 18.907 1.630 ( 0.000 0.000 5.564) 5.564 1.655 ( 0.000 0.000 14.627) 14.627 1.677 ( 0.000 0.000 -3.220) 3.220 1.775 ( 0.000 0.000 4.967) 4.967 1.878 ( 0.000 0.000 -14.105) 14.105 2.170 ( 0.000 0.000 -1.603) 1.603 2.198 ( 0.000 0.000 0.461) 0.461 2.212 ( 0.000 0.000 6.353) 6.353 2.440 ( 0.000 0.000 4.595) 4.595 2.535 ( 0.000 0.000 0.458) 0.458 2.559 ( 0.000 0.000 2.239) 2.239 2.561 ( 0.000 0.000 -11.935) 11.935 2.677 ( 0.000 0.000 4.370) 4.370 2.679 ( 0.000 0.000 -8.099) 8.099 2.753 ( 0.000 0.000 3.321) 3.321 2.771 ( 0.000 0.000 -0.709) 0.709 2.903 ( 0.000 0.000 -4.157) 4.157 2.953 ( 0.000 0.000 3.090) 3.090 2.956 ( 0.000 0.000 -3.918) 3.918 2.967 ( 0.000 0.000 7.170) 7.170 2.990 ( 0.000 0.000 5.423) 5.423 3.001 ( 0.000 0.000 -2.861) 2.861 3.038 ( 0.000 0.000 1.025) 1.025 3.111 ( 0.000 0.000 -6.504) 6.504 3.186 ( 0.000 0.000 0.787) 0.787 3.235 ( 0.000 0.000 4.050) 4.050 3.295 ( 0.000 0.000 -1.633) 1.633 3.314 ( 0.000 0.000 -2.492) 2.492 3.372 ( 0.000 0.000 0.919) 0.919 3.392 ( 0.000 0.000 1.560) 1.560 3.434 ( 0.000 0.000 -8.770) 8.770 3.459 ( 0.000 0.000 3.468) 3.468 3.502 ( 0.000 0.000 2.408) 2.408 3.555 ( 0.000 0.000 4.515) 4.515 3.588 ( 0.000 0.000 2.093) 2.093 3.593 ( 0.000 0.000 -8.025) 8.025 3.692 ( 0.000 0.000 -8.634) 8.634 3.749 ( 0.000 0.000 2.274) 2.274 3.771 ( 0.000 0.000 -1.886) 1.886 3.793 ( 0.000 0.000 -0.831) 0.831 3.797 ( 0.000 0.000 -6.095) 6.095 3.835 ( 0.000 0.000 2.183) 2.183 3.911 ( 0.000 0.000 0.110) 0.110 3.951 ( 0.000 0.000 -1.945) 1.945 4.013 ( 0.000 0.000 1.712) 1.712 4.069 ( 0.000 0.000 3.005) 3.005 4.112 ( 0.000 0.000 2.179) 2.179 4.125 ( 0.000 0.000 2.348) 2.348 4.153 ( 0.000 0.000 0.816) 0.816 4.243 ( 0.000 0.000 -4.058) 4.058 4.252 ( 0.000 0.000 0.054) 0.054 4.321 ( 0.000 0.000 1.324) 1.324 4.341 ( 0.000 0.000 2.629) 2.629 4.382 ( 0.000 0.000 3.009) 3.009 4.423 ( 0.000 0.000 -4.347) 4.347 4.435 ( 0.000 0.000 3.629) 3.629 4.490 ( 0.000 0.000 -5.389) 5.389 4.553 ( 0.000 0.000 3.147) 3.147 4.595 ( 0.000 0.000 -3.380) 3.380 4.603 ( 0.000 0.000 -0.628) 0.628 4.628 ( 0.000 0.000 1.803) 1.803 4.646 ( 0.000 0.000 3.432) 3.432 4.663 ( 0.000 0.000 -2.292) 2.292 4.767 ( 0.000 0.000 -1.025) 1.025 4.797 ( 0.000 0.000 -1.951) 1.951 4.855 ( 0.000 0.000 -6.854) 6.854 4.866 ( 0.000 0.000 -6.166) 6.166 4.926 ( 0.000 0.000 1.615) 1.615 4.932 ( 0.000 0.000 -2.268) 2.268 5.022 ( 0.000 0.000 -6.603) 6.603 5.052 ( 0.000 0.000 4.287) 4.287 5.093 ( 0.000 0.000 2.250) 2.250 5.141 ( 0.000 0.000 -4.746) 4.746 5.190 ( 0.000 0.000 -4.341) 4.341 5.213 ( 0.000 0.000 7.009) 7.009 5.245 ( 0.000 0.000 -5.061) 5.061 5.283 ( 0.000 0.000 10.623) 10.623 5.336 ( 0.000 0.000 -1.989) 1.989 5.393 ( 0.000 0.000 2.623) 2.623 5.400 ( 0.000 0.000 -0.732) 0.732 5.425 ( 0.000 0.000 -4.292) 4.292 5.556 ( 0.000 0.000 -6.810) 6.810 5.624 ( 0.000 0.000 5.207) 5.207 5.687 ( 0.000 0.000 -2.123) 2.123 5.696 ( 0.000 0.000 -8.250) 8.250 5.706 ( 0.000 0.000 5.928) 5.928 5.736 ( 0.000 0.000 -8.183) 8.183 5.790 ( 0.000 0.000 2.864) 2.864 5.862 ( 0.000 0.000 3.224) 3.224 5.885 ( 0.000 0.000 -6.806) 6.806 5.905 ( 0.000 0.000 -8.480) 8.480 5.977 ( 0.000 0.000 2.903) 2.903 5.988 ( 0.000 0.000 -0.933) 0.933 6.051 ( 0.000 0.000 0.237) 0.237 6.063 ( 0.000 0.000 -1.205) 1.205 6.134 ( 0.000 0.000 1.395) 1.395 6.209 ( 0.000 0.000 -1.685) 1.685 6.227 ( 0.000 0.000 1.393) 1.393 6.252 ( 0.000 0.000 1.392) 1.392 6.282 ( 0.000 0.000 2.587) 2.587 6.333 ( 0.000 0.000 0.046) 0.046 6.337 ( 0.000 0.000 -5.290) 5.290 6.339 ( 0.000 0.000 -1.368) 1.368 6.375 ( 0.000 0.000 3.746) 3.746 6.447 ( 0.000 0.000 0.769) 0.769 6.475 ( 0.000 0.000 7.019) 7.019 6.532 ( 0.000 0.000 -5.357) 5.357 6.572 ( 0.000 0.000 5.162) 5.162 6.581 ( 0.000 0.000 0.021) 0.021 6.600 ( 0.000 0.000 -2.490) 2.490 6.620 ( 0.000 0.000 3.990) 3.990 6.632 ( 0.000 0.000 1.455) 1.455 6.652 ( 0.000 0.000 5.559) 5.559 6.686 ( 0.000 0.000 -1.586) 1.586 6.749 ( 0.000 0.000 -0.190) 0.190 6.832 ( 0.000 0.000 -2.932) 2.932 6.860 ( 0.000 0.000 -6.563) 6.563 6.860 ( 0.000 0.000 -2.690) 2.690 6.895 ( 0.000 0.000 3.470) 3.470 6.913 ( 0.000 0.000 4.439) 4.439 6.938 ( 0.000 0.000 1.878) 1.878 7.026 ( 0.000 0.000 -4.385) 4.385 7.071 ( 0.000 0.000 -1.003) 1.003 7.071 ( 0.000 0.000 0.179) 0.179 7.098 ( 0.000 0.000 2.663) 2.663 7.110 ( 0.000 0.000 -3.972) 3.972 7.152 ( 0.000 0.000 1.805) 1.805 7.158 ( 0.000 0.000 2.570) 2.570 7.200 ( 0.000 0.000 -0.392) 0.392 7.228 ( 0.000 0.000 -0.591) 0.591 7.265 ( 0.000 0.000 0.328) 0.328 7.289 ( 0.000 0.000 4.725) 4.725 7.300 ( 0.000 0.000 -5.342) 5.342 7.320 ( 0.000 0.000 7.123) 7.123 7.334 ( 0.000 0.000 1.201) 1.201 7.436 ( 0.000 0.000 0.625) 0.625 7.452 ( 0.000 0.000 -0.052) 0.052 7.495 ( 0.000 0.000 -1.637) 1.637 7.511 ( 0.000 0.000 -2.108) 2.108 7.568 ( 0.000 0.000 1.744) 1.744 7.617 ( 0.000 0.000 0.276) 0.276 7.629 ( 0.000 0.000 6.255) 6.255 7.649 ( 0.000 0.000 0.374) 0.374 7.724 ( 0.000 0.000 -8.130) 8.130 7.751 ( 0.000 0.000 -0.437) 0.437 7.788 ( 0.000 0.000 0.363) 0.363 7.804 ( 0.000 0.000 -4.070) 4.070 7.869 ( 0.000 0.000 0.693) 0.693 7.898 ( 0.000 0.000 0.279) 0.279 7.899 ( 0.000 0.000 -3.089) 3.089 7.966 ( 0.000 0.000 1.852) 1.852 8.008 ( 0.000 0.000 6.381) 6.381 8.053 ( 0.000 0.000 -7.042) 7.042 8.125 ( 0.000 0.000 4.511) 4.511 8.236 ( 0.000 0.000 0.013) 0.013 8.374 ( 0.000 0.000 -3.855) 3.855 8.384 ( 0.000 0.000 -0.859) 0.859 8.432 ( 0.000 0.000 4.800) 4.800 8.453 ( 0.000 0.000 -0.012) 0.012 8.535 ( 0.000 0.000 5.091) 5.091 8.559 ( 0.000 0.000 0.987) 0.987 8.596 ( 0.000 0.000 0.097) 0.097 8.648 ( 0.000 0.000 -1.239) 1.239 8.692 ( 0.000 0.000 1.803) 1.803 8.992 ( 0.000 0.000 0.478) 0.478 9.019 ( 0.000 0.000 -2.459) 2.459 9.020 ( 0.000 0.000 -7.625) 7.625 9.055 ( 0.000 0.000 -0.247) 0.247 9.096 ( 0.000 0.000 0.801) 0.801 9.108 ( 0.000 0.000 -0.359) 0.359 9.287 ( 0.000 0.000 1.142) 1.142 9.352 ( 0.000 0.000 -1.405) 1.405 9.380 ( 0.000 0.000 3.561) 3.561 9.420 ( 0.000 0.000 -3.382) 3.382 9.443 ( 0.000 0.000 2.457) 2.457 9.500 ( 0.000 0.000 -0.977) 0.977 9.513 ( 0.000 0.000 5.187) 5.187 9.565 ( 0.000 0.000 -0.658) 0.658 9.600 ( 0.000 0.000 -1.815) 1.815 9.632 ( 0.000 0.000 -2.751) 2.751 9.641 ( 0.000 0.000 0.323) 0.323 9.738 ( 0.000 0.000 0.422) 0.422 9.753 ( 0.000 0.000 0.287) 0.287 9.756 ( 0.000 0.000 3.962) 3.962 9.851 ( 0.000 0.000 5.358) 5.358 9.903 ( 0.000 0.000 -5.001) 5.001 9.971 ( 0.000 0.000 -5.687) 5.687 10.122 ( 0.000 0.000 -2.244) 2.244 10.205 ( 0.000 0.000 6.785) 6.785 10.285 ( 0.000 0.000 3.149) 3.149 10.383 ( 0.000 0.000 4.645) 4.645 10.388 ( 0.000 0.000 1.054) 1.054 10.506 ( 0.000 0.000 -2.319) 2.319 10.816 ( 0.000 0.000 -10.472) 10.472 10.824 ( 0.000 0.000 -1.097) 1.097 10.918 ( 0.000 0.000 -2.953) 2.953 11.085 ( 0.000 0.000 2.743) 2.743 11.156 ( 0.000 0.000 0.500) 0.500 11.229 ( 0.000 0.000 0.296) 0.296 11.264 ( 0.000 0.000 5.382) 5.382 11.408 ( 0.000 0.000 3.831) 3.831 11.607 ( 0.000 0.000 0.950) 0.950 11.787 ( 0.000 0.000 -1.316) 1.316 11.808 ( 0.000 0.000 -1.254) 1.254 15.659 ( 0.000 0.000 6.381) 6.381 15.781 ( 0.000 0.000 1.010) 1.010 15.931 ( 0.000 0.000 -0.452) 0.452 15.935 ( 0.000 0.000 -0.179) 0.179 15.946 ( 0.000 0.000 -0.322) 0.322 15.982 ( 0.000 0.000 -0.219) 0.219 16.004 ( 0.000 0.000 -1.277) 1.277 16.042 ( 0.000 0.000 -3.831) 3.831 16.359 ( 0.000 0.000 1.315) 1.315 16.361 ( 0.000 0.000 8.134) 8.134 16.592 ( 0.000 0.000 -0.076) 0.076 16.625 ( 0.000 0.000 1.186) 1.186 16.661 ( 0.000 0.000 4.043) 4.043 16.769 ( 0.000 0.000 -2.479) 2.479 16.816 ( 0.000 0.000 -3.567) 3.567 16.856 ( 0.000 0.000 -0.616) 0.616 16.873 ( 0.000 0.000 -3.791) 3.791 16.887 ( 0.000 0.000 3.277) 3.277 16.966 ( 0.000 0.000 -2.960) 2.960 17.141 ( 0.000 0.000 -4.212) 4.212 17.614 ( 0.000 0.000 0.275) 0.275 17.652 ( 0.000 0.000 -0.619) 0.619 17.833 ( 0.000 0.000 0.697) 0.697 17.942 ( 0.000 0.000 -3.101) 3.101 18.033 ( 0.000 0.000 0.741) 0.741 18.034 ( 0.000 0.000 -0.401) 0.401 18.100 ( 0.000 0.000 -1.660) 1.660 18.109 ( 0.000 0.000 -1.819) 1.819 18.154 ( 0.000 0.000 2.738) 2.738 18.170 ( 0.000 0.000 1.714) 1.714 18.240 ( 0.000 0.000 0.678) 0.678 18.343 ( 0.000 0.000 -2.907) 2.907 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 14.482 0.000 19.972) 24.670 0.822 ( 22.184 0.000 16.060) 27.387 1.143 ( 8.364 0.000 43.637) 44.432 1.596 ( 8.375 0.000 8.240) 11.749 1.614 ( -1.266 0.000 7.893) 7.994 1.688 ( 7.365 0.000 7.751) 10.692 1.779 ( 9.527 0.000 5.985) 11.251 1.823 ( 3.791 0.000 14.194) 14.692 1.932 ( 3.881 0.000 -13.969) 14.498 2.126 ( -5.602 0.000 -1.173) 5.724 2.148 ( -0.828 0.000 0.700) 1.084 2.324 ( 8.128 0.000 2.759) 8.584 2.398 ( -2.425 0.000 -4.131) 4.790 2.537 ( -0.732 0.000 2.688) 2.786 2.569 ( -0.093 0.000 0.128) 0.158 2.571 ( 1.463 0.000 -3.579) 3.866 2.632 ( -2.308 0.000 5.013) 5.519 2.682 ( -2.101 0.000 -5.713) 6.087 2.709 ( 0.846 0.000 2.000) 2.171 2.810 ( 3.149 0.000 1.120) 3.342 2.834 ( -3.071 0.000 1.250) 3.316 2.881 ( -0.941 0.000 -1.513) 1.782 2.966 ( -0.459 0.000 2.024) 2.075 2.993 ( -1.632 0.000 -2.108) 2.666 3.062 ( 4.404 0.000 4.833) 6.539 3.062 ( -4.892 0.000 -4.289) 6.506 3.095 ( 3.438 0.000 1.247) 3.657 3.115 ( 2.748 0.000 -1.091) 2.957 3.207 ( -1.795 0.000 -0.822) 1.974 3.214 ( 4.098 0.000 -3.786) 5.579 3.312 ( -1.382 0.000 2.107) 2.520 3.348 ( 3.777 0.000 0.291) 3.788 3.394 ( 3.208 0.000 2.922) 4.339 3.429 ( 1.961 0.000 -2.412) 3.109 3.472 ( 1.686 0.000 -1.832) 2.490 3.497 ( 2.092 0.000 -3.591) 4.156 3.513 ( 0.516 0.000 -1.632) 1.711 3.553 ( -1.029 0.000 -1.049) 1.470 3.597 ( 0.955 0.000 -2.156) 2.358 3.609 ( -0.029 0.000 -1.936) 1.936 3.715 ( 1.073 0.000 -1.110) 1.543 3.741 ( -0.883 0.000 -1.009) 1.341 3.745 ( -3.526 0.000 -0.380) 3.546 3.760 ( 1.219 0.000 1.651) 2.052 3.779 ( -2.388 0.000 1.903) 3.054 3.823 ( 1.048 0.000 -1.457) 1.795 3.918 ( 0.658 0.000 2.607) 2.689 4.019 ( 2.372 0.000 -2.421) 3.389 4.037 ( 5.400 0.000 -3.382) 6.372 4.098 ( -1.109 0.000 2.854) 3.062 4.106 ( 0.971 0.000 -1.086) 1.457 4.133 ( 2.675 0.000 3.794) 4.642 4.191 ( 1.546 0.000 -2.633) 3.053 4.243 ( 0.829 0.000 -3.445) 3.543 4.277 ( -2.362 0.000 2.213) 3.237 4.298 ( 2.192 0.000 0.320) 2.216 4.325 ( -3.883 0.000 1.554) 4.183 4.390 ( 3.236 0.000 4.997) 5.953 4.415 ( -1.281 0.000 2.915) 3.183 4.455 ( -0.914 0.000 -6.429) 6.493 4.457 ( 0.844 0.000 -4.767) 4.841 4.509 ( -3.920 0.000 1.401) 4.163 4.549 ( -3.717 0.000 0.532) 3.755 4.569 ( -0.371 0.000 0.118) 0.389 4.628 ( 1.665 0.000 0.883) 1.885 4.687 ( -0.397 0.000 0.228) 0.458 4.687 ( 2.919 0.000 -0.496) 2.961 4.748 ( -1.224 0.000 0.931) 1.538 4.783 ( -2.910 0.000 -1.827) 3.436 4.840 ( -1.544 0.000 -5.996) 6.191 4.854 ( -0.709 0.000 -5.145) 5.193 4.910 ( -3.801 0.000 -4.933) 6.227 4.983 ( 3.479 0.000 -0.021) 3.479 5.032 ( 4.345 0.000 -3.229) 5.413 5.081 ( 3.324 0.000 1.125) 3.510 5.092 ( -0.233 0.000 1.952) 1.966 5.180 ( -4.322 0.000 -1.107) 4.461 5.189 ( -0.062 0.000 -3.502) 3.502 5.204 ( 0.170 0.000 0.928) 0.943 5.221 ( -0.960 0.000 -4.387) 4.490 5.264 ( 1.063 0.000 1.244) 1.636 5.293 ( -4.006 0.000 -0.311) 4.018 5.380 ( -1.323 0.000 2.267) 2.625 5.381 ( 0.395 0.000 0.514) 0.648 5.406 ( -4.422 0.000 1.001) 4.534 5.439 ( -2.942 0.000 2.251) 3.704 5.613 ( -0.353 0.000 -1.050) 1.107 5.614 ( -2.113 0.000 0.463) 2.163 5.675 ( -0.025 0.000 -1.324) 1.325 5.722 ( -3.169 0.000 -6.308) 7.059 5.762 ( -11.602 0.000 1.287) 11.673 5.786 ( 4.346 0.000 -3.963) 5.882 5.862 ( -2.286 0.000 -9.598) 9.867 5.879 ( 2.291 0.000 2.717) 3.554 5.907 ( -3.975 0.000 0.128) 3.977 5.950 ( -1.112 0.000 4.378) 4.517 5.955 ( 2.281 0.000 -5.071) 5.560 6.025 ( 1.002 0.000 0.317) 1.051 6.064 ( -0.932 0.000 0.074) 0.935 6.127 ( -4.875 0.000 -2.542) 5.497 6.140 ( 0.971 0.000 0.582) 1.132 6.207 ( -4.324 0.000 5.275) 6.821 6.238 ( -1.498 0.000 1.162) 1.896 6.249 ( -0.808 0.000 -2.798) 2.912 6.319 ( -1.754 0.000 3.825) 4.208 6.337 ( -2.974 0.000 0.330) 2.992 6.350 ( 4.255 0.000 -3.869) 5.751 6.420 ( -2.086 0.000 4.646) 5.093 6.430 ( -0.112 0.000 5.497) 5.498 6.486 ( 1.827 0.000 3.059) 3.563 6.495 ( -3.467 0.000 -0.372) 3.487 6.535 ( -3.854 0.000 3.151) 4.979 6.552 ( -2.137 0.000 0.895) 2.317 6.576 ( -4.582 0.000 5.204) 6.933 6.604 ( -2.490 0.000 6.766) 7.209 6.663 ( 1.589 0.000 -4.682) 4.944 6.670 ( 6.491 0.000 -2.576) 6.984 6.728 ( 5.701 0.000 0.153) 5.703 6.754 ( 1.537 0.000 -3.158) 3.512 6.813 ( -1.388 0.000 -1.709) 2.202 6.842 ( -0.873 0.000 -3.967) 4.061 6.879 ( 1.476 0.000 -3.924) 4.192 6.893 ( -0.319 0.000 1.154) 1.198 6.920 ( 0.103 0.000 0.776) 0.782 6.969 ( 1.087 0.000 0.079) 1.090 7.009 ( -4.391 0.000 -1.115) 4.530 7.060 ( 2.253 0.000 0.033) 2.253 7.072 ( 0.872 0.000 2.463) 2.613 7.087 ( -2.605 0.000 -0.260) 2.618 7.155 ( 2.456 0.000 -1.476) 2.865 7.160 ( 4.330 0.000 0.690) 4.384 7.197 ( 0.284 0.000 -4.156) 4.165 7.230 ( 1.268 0.000 -0.574) 1.392 7.241 ( 3.700 0.000 -1.567) 4.018 7.277 ( -0.117 0.000 -0.545) 0.557 7.283 ( 0.175 0.000 5.120) 5.123 7.317 ( 0.560 0.000 -2.882) 2.936 7.349 ( 2.569 0.000 5.198) 5.798 7.362 ( 1.927 0.000 1.203) 2.272 7.406 ( -1.530 0.000 -3.812) 4.108 7.494 ( -0.684 0.000 0.863) 1.102 7.494 ( 3.443 0.000 1.704) 3.842 7.556 ( 3.863 0.000 -0.524) 3.898 7.570 ( -0.660 0.000 1.226) 1.392 7.641 ( -0.879 0.000 2.695) 2.834 7.663 ( -0.625 0.000 2.108) 2.199 7.672 ( 2.067 0.000 2.450) 3.206 7.702 ( 5.451 0.000 3.784) 6.636 7.784 ( 3.533 0.000 -2.827) 4.525 7.787 ( 1.963 0.000 -0.785) 2.114 7.813 ( 2.642 0.000 1.652) 3.116 7.889 ( 0.038 0.000 -2.649) 2.649 7.907 ( 1.461 0.000 -0.240) 1.481 7.918 ( -2.294 0.000 -0.693) 2.397 7.926 ( 3.913 0.000 0.335) 3.928 7.975 ( -0.338 0.000 1.397) 1.437 7.980 ( -1.054 0.000 3.914) 4.054 8.139 ( 0.597 0.000 3.060) 3.118 8.216 ( -1.143 0.000 -0.625) 1.303 8.308 ( -5.687 0.000 -1.888) 5.992 8.357 ( -1.716 0.000 -0.538) 1.799 8.378 ( -4.926 0.000 1.323) 5.101 8.490 ( 4.878 0.000 5.190) 7.123 8.530 ( -0.392 0.000 4.971) 4.987 8.578 ( 1.453 0.000 0.957) 1.740 8.598 ( -0.632 0.000 1.316) 1.460 8.671 ( 2.191 0.000 -2.071) 3.015 8.789 ( 3.200 0.000 -0.050) 3.201 8.975 ( 0.527 0.000 -0.654) 0.840 9.022 ( 0.053 0.000 -2.208) 2.209 9.029 ( -0.707 0.000 -5.618) 5.662 9.063 ( -0.024 0.000 -0.993) 0.993 9.101 ( 1.529 0.000 -0.966) 1.809 9.115 ( 0.407 0.000 -0.186) 0.448 9.233 ( -2.557 0.000 1.595) 3.014 9.389 ( -0.884 0.000 -2.536) 2.686 9.393 ( -0.477 0.000 0.056) 0.480 9.410 ( 1.922 0.000 1.426) 2.393 9.441 ( -0.439 0.000 5.561) 5.579 9.505 ( -1.111 0.000 -2.439) 2.680 9.546 ( 2.608 0.000 5.238) 5.852 9.555 ( -1.227 0.000 -0.607) 1.369 9.568 ( 2.634 0.000 -0.322) 2.653 9.596 ( 0.922 0.000 0.680) 1.146 9.670 ( 1.463 0.000 -2.842) 3.197 9.694 ( -2.468 0.000 -0.468) 2.512 9.723 ( -0.520 0.000 2.535) 2.587 9.826 ( 1.247 0.000 -2.069) 2.415 9.906 ( 3.985 0.000 4.106) 5.722 9.912 ( 1.232 0.000 -2.417) 2.713 9.957 ( -1.282 0.000 -6.098) 6.232 10.109 ( -1.271 0.000 -1.400) 1.891 10.191 ( -0.265 0.000 5.530) 5.537 10.315 ( 2.005 0.000 3.680) 4.190 10.373 ( -0.599 0.000 0.146) 0.617 10.419 ( 2.860 0.000 3.762) 4.726 10.571 ( 2.587 0.000 -3.366) 4.246 10.802 ( -1.607 0.000 -2.377) 2.869 10.866 ( -0.317 0.000 -6.091) 6.099 10.875 ( -4.207 0.000 -2.510) 4.899 10.978 ( -8.520 0.000 9.538) 12.789 11.062 ( -1.986 0.000 2.090) 2.883 11.200 ( -2.676 0.000 0.345) 2.698 11.322 ( -5.608 0.000 0.188) 5.612 11.515 ( 4.049 0.000 -12.455) 13.097 11.531 ( -7.039 0.000 0.804) 7.085 11.682 ( -11.204 0.000 -0.783) 11.231 11.706 ( -7.265 0.000 -2.692) 7.748 15.659 ( 0.221 0.000 5.390) 5.395 15.775 ( -0.169 0.000 0.879) 0.895 15.842 ( -9.830 0.000 9.612) 13.749 15.937 ( -1.567 0.000 2.060) 2.589 15.956 ( 1.638 0.000 -0.102) 1.641 15.973 ( -2.383 0.000 -1.158) 2.650 15.989 ( 3.733 0.000 -1.803) 4.146 16.036 ( -0.305 0.000 -4.489) 4.499 16.171 ( -4.470 0.000 7.684) 8.890 16.318 ( -3.508 0.000 5.169) 6.247 16.403 ( -0.177 0.000 4.968) 4.972 16.481 ( -8.024 0.000 3.202) 8.639 16.688 ( 4.470 0.000 0.978) 4.576 16.769 ( 0.072 0.000 -2.112) 2.113 16.835 ( -0.491 0.000 0.629) 0.798 16.841 ( -0.305 0.000 -1.526) 1.556 16.951 ( 1.603 0.000 -1.154) 1.976 16.981 ( 0.890 0.000 -2.126) 2.305 16.985 ( 2.647 0.000 -2.967) 3.977 17.103 ( -4.704 0.000 -2.549) 5.350 17.523 ( -8.365 0.000 1.139) 8.442 17.579 ( -7.974 0.000 2.062) 8.236 17.841 ( -9.080 0.000 -3.171) 9.618 17.858 ( -6.967 0.000 -6.851) 9.771 18.061 ( 1.804 0.000 -0.855) 1.996 18.102 ( 0.083 0.000 -0.989) 0.993 18.111 ( 0.375 0.000 -1.657) 1.699 18.149 ( 0.624 0.000 -3.159) 3.220 18.162 ( 3.199 0.000 0.454) 3.231 18.163 ( 0.872 0.000 2.167) 2.336 18.229 ( -0.626 0.000 0.604) 0.870 18.351 ( 0.670 0.000 -6.977) 7.009 ======================= Grid point 29 (13/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 16.644 0.000 14.262) 21.919 1.286 ( 17.948 0.000 23.542) 29.603 1.420 ( 19.095 0.000 8.725) 20.994 1.660 ( 5.725 0.000 2.732) 6.344 1.834 ( 12.131 0.000 0.859) 12.162 1.878 ( 7.408 0.000 0.551) 7.429 1.904 ( -2.337 0.000 3.321) 4.061 1.950 ( 4.988 0.000 12.373) 13.340 2.008 ( 11.202 0.000 8.655) 14.156 2.097 ( 2.469 0.000 -9.029) 9.361 2.176 ( 5.575 0.000 6.907) 8.876 2.409 ( 3.967 0.000 -4.915) 6.316 2.448 ( -1.659 0.000 0.296) 1.685 2.505 ( 2.124 0.000 0.628) 2.215 2.553 ( 0.564 0.000 4.011) 4.051 2.576 ( -4.536 0.000 -1.212) 4.695 2.639 ( 2.477 0.000 1.376) 2.834 2.645 ( 2.916 0.000 -0.854) 3.039 2.757 ( -4.228 0.000 1.740) 4.572 2.769 ( 2.386 0.000 1.024) 2.597 2.858 ( -0.163 0.000 0.137) 0.213 2.879 ( -9.097 0.000 2.485) 9.431 2.895 ( 2.213 0.000 -0.421) 2.253 2.966 ( 0.169 0.000 -0.184) 0.250 3.015 ( 0.429 0.000 -4.449) 4.470 3.070 ( -1.812 0.000 2.117) 2.787 3.139 ( 0.536 0.000 -2.224) 2.288 3.164 ( 1.398 0.000 6.655) 6.800 3.182 ( -1.182 0.000 1.869) 2.211 3.264 ( -0.178 0.000 -4.981) 4.984 3.276 ( 0.790 0.000 -4.765) 4.830 3.346 ( -7.047 0.000 -2.428) 7.453 3.436 ( -0.329 0.000 7.781) 7.788 3.451 ( -0.927 0.000 -4.481) 4.576 3.475 ( -1.953 0.000 0.943) 2.169 3.533 ( 0.493 0.000 -5.611) 5.632 3.536 ( 0.971 0.000 -2.351) 2.543 3.556 ( 5.379 0.000 -1.932) 5.715 3.571 ( -2.666 0.000 0.573) 2.727 3.586 ( -3.673 0.000 -1.915) 4.142 3.659 ( -0.192 0.000 4.890) 4.894 3.699 ( 0.510 0.000 0.568) 0.764 3.744 ( -1.916 0.000 1.280) 2.304 3.749 ( -0.209 0.000 4.256) 4.261 3.898 ( 5.966 0.000 0.911) 6.035 3.909 ( 10.794 0.000 2.263) 11.029 3.945 ( 1.199 0.000 5.527) 5.655 4.065 ( -0.740 0.000 -2.536) 2.641 4.066 ( 0.262 0.000 2.742) 2.754 4.112 ( 0.750 0.000 -5.879) 5.927 4.127 ( -1.032 0.000 -2.595) 2.793 4.163 ( -1.409 0.000 -3.143) 3.444 4.171 ( 1.113 0.000 -1.713) 2.043 4.252 ( -1.194 0.000 -1.661) 2.045 4.289 ( 2.319 0.000 0.460) 2.364 4.292 ( 1.350 0.000 -2.024) 2.433 4.308 ( -1.612 0.000 -1.973) 2.548 4.376 ( -3.015 0.000 -0.763) 3.110 4.383 ( -0.596 0.000 0.319) 0.676 4.421 ( -2.318 0.000 -3.627) 4.304 4.483 ( 1.501 0.000 2.678) 3.069 4.521 ( 3.478 0.000 -0.743) 3.557 4.560 ( 4.767 0.000 1.473) 4.990 4.580 ( -0.275 0.000 -3.434) 3.445 4.611 ( -8.477 0.000 0.854) 8.520 4.680 ( 1.042 0.000 -3.231) 3.395 4.696 ( 4.091 0.000 -1.873) 4.499 4.698 ( -2.027 0.000 6.799) 7.094 4.748 ( 0.768 0.000 1.425) 1.619 4.819 ( -1.629 0.000 -3.609) 3.959 4.833 ( 0.469 0.000 -3.746) 3.776 4.889 ( -0.359 0.000 -1.824) 1.859 5.007 ( -0.580 0.000 -0.613) 0.844 5.032 ( -3.227 0.000 -5.795) 6.633 5.080 ( -0.510 0.000 -5.808) 5.830 5.088 ( -5.831 0.000 -3.073) 6.591 5.094 ( 2.532 0.000 1.929) 3.183 5.164 ( -4.137 0.000 -3.855) 5.655 5.214 ( 0.167 0.000 -1.714) 1.722 5.237 ( 0.898 0.000 1.962) 2.158 5.268 ( -0.240 0.000 4.407) 4.414 5.314 ( 3.744 0.000 -0.437) 3.769 5.320 ( -0.737 0.000 0.952) 1.204 5.401 ( -0.449 0.000 1.545) 1.609 5.408 ( 1.388 0.000 2.552) 2.905 5.423 ( 3.895 0.000 5.009) 6.345 5.493 ( -10.048 0.000 0.288) 10.052 5.588 ( 0.305 0.000 3.028) 3.044 5.598 ( -4.985 0.000 -1.120) 5.109 5.676 ( -0.820 0.000 -2.652) 2.776 5.693 ( 1.418 0.000 -1.626) 2.158 5.787 ( -4.018 0.000 -1.008) 4.142 5.806 ( -1.797 0.000 -4.413) 4.765 5.843 ( -2.553 0.000 0.836) 2.686 5.888 ( -0.799 0.000 5.389) 5.448 5.953 ( 3.793 0.000 -4.596) 5.959 5.964 ( -1.571 0.000 -7.335) 7.501 6.019 ( -1.551 0.000 -0.813) 1.751 6.053 ( 0.390 0.000 1.012) 1.084 6.091 ( 1.595 0.000 -0.822) 1.794 6.124 ( -3.263 0.000 4.657) 5.686 6.140 ( -2.376 0.000 -0.290) 2.393 6.194 ( -1.428 0.000 -0.387) 1.480 6.207 ( -8.172 0.000 -1.311) 8.277 6.266 ( -2.946 0.000 2.878) 4.119 6.278 ( 1.829 0.000 -3.943) 4.346 6.322 ( -3.783 0.000 1.228) 3.978 6.382 ( -3.607 0.000 7.100) 7.964 6.398 ( -2.335 0.000 2.829) 3.668 6.440 ( -1.945 0.000 6.649) 6.928 6.479 ( -1.812 0.000 2.746) 3.290 6.483 ( -2.896 0.000 1.152) 3.117 6.520 ( -0.390 0.000 2.724) 2.751 6.570 ( 4.228 0.000 -1.132) 4.377 6.577 ( 1.036 0.000 3.361) 3.517 6.657 ( -1.506 0.000 -4.079) 4.348 6.757 ( -3.102 0.000 -2.184) 3.794 6.777 ( 0.642 0.000 -3.027) 3.094 6.790 ( 3.672 0.000 -1.025) 3.813 6.845 ( 0.904 0.000 -3.963) 4.065 6.869 ( -1.655 0.000 -2.582) 3.067 6.889 ( 5.175 0.000 0.338) 5.186 6.894 ( -2.745 0.000 1.823) 3.295 6.927 ( 2.633 0.000 -0.248) 2.644 6.966 ( 0.742 0.000 -1.238) 1.443 7.016 ( -2.777 0.000 -2.847) 3.977 7.019 ( 5.057 0.000 0.959) 5.147 7.059 ( -0.301 0.000 -1.062) 1.104 7.129 ( 1.446 0.000 -2.194) 2.627 7.187 ( -0.783 0.000 0.194) 0.806 7.213 ( 0.984 0.000 -2.626) 2.804 7.227 ( 2.452 0.000 -1.237) 2.747 7.255 ( -1.191 0.000 -0.597) 1.332 7.276 ( 1.797 0.000 -1.693) 2.469 7.290 ( 0.619 0.000 -0.546) 0.826 7.299 ( -0.728 0.000 -1.530) 1.694 7.303 ( 1.117 0.000 2.893) 3.101 7.377 ( 0.060 0.000 0.030) 0.067 7.383 ( 0.970 0.000 -1.123) 1.483 7.431 ( 4.985 0.000 5.255) 7.243 7.502 ( 1.099 0.000 -4.019) 4.167 7.564 ( 1.758 0.000 0.782) 1.924 7.572 ( 0.947 0.000 -0.461) 1.053 7.632 ( -0.430 0.000 -1.481) 1.542 7.636 ( 2.474 0.000 -0.891) 2.629 7.689 ( -0.807 0.000 1.823) 1.994 7.720 ( 2.709 0.000 5.728) 6.336 7.797 ( 0.991 0.000 -1.462) 1.766 7.826 ( 3.230 0.000 0.304) 3.244 7.874 ( 0.972 0.000 1.768) 2.018 7.893 ( 2.869 0.000 1.159) 3.094 7.902 ( 2.936 0.000 0.658) 3.009 7.911 ( 0.539 0.000 1.916) 1.990 7.914 ( 4.282 0.000 -2.319) 4.870 7.972 ( 2.567 0.000 -0.252) 2.580 7.999 ( 3.011 0.000 1.885) 3.552 8.055 ( 4.381 0.000 -1.937) 4.790 8.138 ( -0.733 0.000 2.048) 2.175 8.180 ( -4.664 0.000 1.545) 4.913 8.225 ( 0.707 0.000 -1.945) 2.070 8.301 ( -1.009 0.000 1.096) 1.490 8.353 ( 1.870 0.000 -0.044) 1.871 8.509 ( -1.508 0.000 3.066) 3.417 8.552 ( -3.105 0.000 0.348) 3.124 8.605 ( 3.870 0.000 2.004) 4.358 8.629 ( 5.231 0.000 4.347) 6.801 8.691 ( -0.510 0.000 -2.134) 2.194 8.814 ( -0.614 0.000 2.658) 2.728 8.959 ( -0.917 0.000 -4.010) 4.114 8.999 ( -2.641 0.000 -2.703) 3.779 9.041 ( -1.986 0.000 0.472) 2.041 9.063 ( 2.176 0.000 -1.856) 2.860 9.103 ( -1.695 0.000 -0.596) 1.797 9.115 ( -0.061 0.000 -1.446) 1.447 9.212 ( -0.064 0.000 1.453) 1.455 9.378 ( -0.185 0.000 0.679) 0.704 9.392 ( -1.261 0.000 -5.146) 5.299 9.413 ( 0.856 0.000 -0.811) 1.180 9.468 ( 1.723 0.000 4.702) 5.008 9.479 ( 0.403 0.000 -0.691) 0.800 9.537 ( 0.181 0.000 2.223) 2.230 9.565 ( -3.476 0.000 -0.066) 3.477 9.600 ( 1.663 0.000 6.247) 6.465 9.641 ( -0.432 0.000 1.302) 1.372 9.699 ( 7.938 0.000 -0.148) 7.940 9.733 ( 1.692 0.000 0.355) 1.729 9.748 ( 3.478 0.000 -2.395) 4.223 9.864 ( 3.269 0.000 -0.345) 3.287 9.924 ( 0.283 0.000 -2.446) 2.462 9.979 ( 3.631 0.000 -1.971) 4.131 9.982 ( 3.232 0.000 3.746) 4.948 10.072 ( -1.991 0.000 -0.303) 2.014 10.182 ( -1.101 0.000 6.012) 6.112 10.363 ( -0.112 0.000 -1.427) 1.432 10.369 ( 3.077 0.000 1.820) 3.575 10.474 ( 2.002 0.000 2.413) 3.136 10.621 ( 1.556 0.000 -2.877) 3.271 10.741 ( -8.268 0.000 -1.271) 8.365 10.747 ( -5.653 0.000 -4.497) 7.223 10.788 ( -5.582 0.000 6.664) 8.693 10.816 ( -4.382 0.000 0.902) 4.474 11.011 ( -2.661 0.000 0.573) 2.722 11.123 ( -4.412 0.000 0.276) 4.420 11.146 ( -10.490 0.000 2.032) 10.685 11.328 ( -11.853 0.000 0.475) 11.863 11.401 ( -13.866 0.000 -0.794) 13.889 11.432 ( -9.688 0.000 -6.060) 11.428 11.513 ( -10.593 0.000 -6.763) 12.568 15.676 ( 1.444 0.000 3.603) 3.881 15.724 ( -1.605 0.000 7.349) 7.522 15.787 ( 1.473 0.000 0.253) 1.495 15.899 ( -2.209 0.000 1.547) 2.697 15.920 ( -2.771 0.000 -0.123) 2.774 15.984 ( 0.580 0.000 -0.704) 0.912 16.040 ( 1.051 0.000 -6.077) 6.167 16.072 ( 2.126 0.000 -5.143) 5.565 16.201 ( 4.538 0.000 1.680) 4.839 16.260 ( -0.085 0.000 2.777) 2.778 16.349 ( -3.312 0.000 7.457) 8.160 16.430 ( 2.664 0.000 2.182) 3.444 16.767 ( -0.942 0.000 -0.992) 1.368 16.770 ( 2.278 0.000 -0.290) 2.297 16.834 ( 0.126 0.000 0.979) 0.987 16.841 ( 0.458 0.000 -1.102) 1.194 16.932 ( -2.903 0.000 -0.015) 2.903 16.963 ( -7.254 0.000 -0.948) 7.316 16.996 ( 0.203 0.000 -3.400) 3.406 17.023 ( 0.840 0.000 -2.165) 2.322 17.294 ( -12.249 0.000 3.007) 12.613 17.342 ( -13.482 0.000 3.320) 13.884 17.606 ( -12.217 0.000 -3.309) 12.657 17.634 ( -12.563 0.000 -5.208) 13.600 18.086 ( 0.523 0.000 -0.442) 0.684 18.098 ( -0.432 0.000 -0.186) 0.470 18.116 ( 0.226 0.000 -0.916) 0.943 18.139 ( -0.255 0.000 -1.414) 1.437 18.182 ( 0.798 0.000 1.469) 1.671 18.196 ( 0.639 0.000 1.127) 1.295 18.226 ( 0.146 0.000 0.247) 0.287 18.346 ( -1.317 0.000 -4.881) 5.055 ======================= Grid point 30 (14/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 14.433 0.000 10.788) 18.019 1.621 ( 15.122 0.000 21.133) 25.986 1.756 ( -1.232 0.000 1.004) 1.589 1.783 ( 11.769 0.000 -2.230) 11.978 1.910 ( 7.106 0.000 3.697) 8.010 1.954 ( 2.720 0.000 -2.084) 3.426 2.040 ( 5.296 0.000 1.634) 5.542 2.098 ( 2.813 0.000 3.225) 4.280 2.122 ( 3.393 0.000 6.358) 7.207 2.207 ( 6.829 0.000 -1.421) 6.975 2.352 ( -4.775 0.000 0.873) 4.854 2.380 ( 11.439 0.000 7.240) 13.538 2.442 ( -5.471 0.000 1.853) 5.776 2.530 ( 1.056 0.000 1.573) 1.894 2.544 ( 0.577 0.000 -0.855) 1.031 2.591 ( 1.087 0.000 2.640) 2.855 2.628 ( -1.006 0.000 -1.112) 1.499 2.715 ( 4.095 0.000 0.880) 4.189 2.740 ( -1.351 0.000 3.844) 4.074 2.790 ( 0.279 0.000 -1.318) 1.347 2.794 ( 4.030 0.000 2.404) 4.692 2.818 ( -0.812 0.000 1.961) 2.122 2.939 ( 0.478 0.000 2.286) 2.335 2.978 ( 1.431 0.000 -2.196) 2.621 2.987 ( -0.723 0.000 -1.605) 1.760 3.034 ( -2.933 0.000 0.589) 2.992 3.089 ( -2.352 0.000 5.162) 5.673 3.125 ( -4.190 0.000 -3.728) 5.608 3.178 ( -7.167 0.000 -1.604) 7.344 3.216 ( -1.204 0.000 -1.194) 1.695 3.257 ( -3.647 0.000 -0.470) 3.677 3.300 ( 3.093 0.000 -5.522) 6.330 3.328 ( -7.158 0.000 -1.063) 7.237 3.378 ( -2.476 0.000 2.645) 3.624 3.431 ( -2.105 0.000 -1.211) 2.429 3.486 ( -3.684 0.000 1.216) 3.879 3.534 ( -1.624 0.000 2.546) 3.020 3.540 ( 1.178 0.000 -3.900) 4.074 3.547 ( -2.041 0.000 0.780) 2.185 3.577 ( 0.408 0.000 1.500) 1.555 3.728 ( 4.528 0.000 -2.992) 5.427 3.731 ( 2.189 0.000 0.453) 2.236 3.762 ( 1.309 0.000 3.400) 3.643 3.860 ( 7.613 0.000 0.711) 7.646 3.935 ( 0.419 0.000 3.187) 3.214 4.009 ( 1.276 0.000 -0.341) 1.321 4.040 ( 0.875 0.000 0.292) 0.923 4.057 ( -0.446 0.000 -1.630) 1.690 4.085 ( -1.613 0.000 -4.873) 5.133 4.089 ( 1.023 0.000 -2.009) 2.255 4.113 ( 1.651 0.000 -3.460) 3.834 4.141 ( -4.016 0.000 -1.977) 4.476 4.153 ( -0.209 0.000 -2.188) 2.198 4.190 ( -5.716 0.000 0.256) 5.722 4.231 ( -0.859 0.000 1.813) 2.006 4.316 ( -3.770 0.000 0.854) 3.866 4.318 ( 2.980 0.000 1.204) 3.214 4.355 ( 1.079 0.000 -5.301) 5.410 4.402 ( 0.834 0.000 0.735) 1.112 4.440 ( 4.197 0.000 -4.763) 6.348 4.474 ( -3.399 0.000 -0.314) 3.413 4.518 ( 5.701 0.000 3.260) 6.568 4.580 ( -1.691 0.000 5.583) 5.834 4.619 ( 4.149 0.000 -6.035) 7.324 4.619 ( 2.622 0.000 -2.750) 3.800 4.713 ( 2.789 0.000 1.630) 3.230 4.714 ( 1.986 0.000 -2.218) 2.977 4.761 ( -2.495 0.000 1.057) 2.709 4.785 ( -0.630 0.000 -3.342) 3.401 4.785 ( 1.715 0.000 2.402) 2.952 4.820 ( -2.167 0.000 -1.704) 2.757 4.846 ( -1.607 0.000 1.868) 2.464 5.010 ( 1.908 0.000 -1.418) 2.377 5.040 ( 3.821 0.000 -0.234) 3.828 5.049 ( -3.437 0.000 -3.817) 5.136 5.069 ( 2.282 0.000 -2.443) 3.343 5.080 ( -0.860 0.000 -5.676) 5.741 5.145 ( 0.985 0.000 1.118) 1.490 5.195 ( -2.215 0.000 4.912) 5.389 5.219 ( 0.179 0.000 0.583) 0.610 5.263 ( -1.786 0.000 0.875) 1.988 5.266 ( -3.889 0.000 0.959) 4.005 5.302 ( -2.181 0.000 4.103) 4.646 5.354 ( -4.133 0.000 1.870) 4.536 5.382 ( -3.294 0.000 1.326) 3.551 5.417 ( 2.773 0.000 0.193) 2.779 5.513 ( -2.961 0.000 -0.230) 2.970 5.542 ( -1.243 0.000 -1.597) 2.024 5.607 ( 1.105 0.000 1.858) 2.162 5.670 ( 5.173 0.000 1.680) 5.439 5.705 ( 0.656 0.000 -2.651) 2.731 5.746 ( 0.941 0.000 1.796) 2.027 5.766 ( -3.197 0.000 -1.883) 3.710 5.817 ( 0.724 0.000 0.206) 0.753 5.878 ( -0.242 0.000 2.709) 2.719 5.934 ( -1.444 0.000 -1.406) 2.016 6.009 ( -6.813 0.000 -2.216) 7.164 6.022 ( 2.087 0.000 -0.911) 2.277 6.033 ( -3.255 0.000 3.616) 4.866 6.034 ( -6.660 0.000 2.359) 7.066 6.069 ( 5.072 0.000 -2.323) 5.578 6.106 ( -5.810 0.000 -1.940) 6.126 6.128 ( 4.192 0.000 -1.489) 4.449 6.162 ( 2.381 0.000 2.212) 3.249 6.217 ( -2.377 0.000 -0.845) 2.522 6.312 ( 0.104 0.000 -2.789) 2.791 6.326 ( 0.681 0.000 0.113) 0.690 6.333 ( 1.316 0.000 2.199) 2.562 6.343 ( 0.870 0.000 2.455) 2.604 6.396 ( -1.814 0.000 5.743) 6.022 6.452 ( -0.853 0.000 3.454) 3.558 6.463 ( 2.364 0.000 -0.972) 2.556 6.512 ( -0.922 0.000 -0.483) 1.041 6.556 ( -5.585 0.000 0.874) 5.653 6.622 ( 0.527 0.000 -3.141) 3.185 6.640 ( 1.384 0.000 -0.567) 1.495 6.738 ( -1.759 0.000 -3.613) 4.019 6.780 ( -1.411 0.000 -1.615) 2.144 6.783 ( -1.333 0.000 -2.108) 2.494 6.809 ( -1.542 0.000 -2.191) 2.679 6.842 ( -0.985 0.000 -4.100) 4.217 6.879 ( 1.014 0.000 -0.830) 1.310 6.926 ( -2.488 0.000 2.076) 3.240 6.953 ( 0.937 0.000 0.071) 0.939 6.955 ( -2.661 0.000 -1.982) 3.318 7.010 ( 2.692 0.000 -2.639) 3.770 7.081 ( -4.746 0.000 1.728) 5.051 7.081 ( 1.470 0.000 -2.345) 2.767 7.134 ( -0.021 0.000 -3.459) 3.459 7.174 ( 4.945 0.000 1.930) 5.308 7.196 ( -2.016 0.000 -0.886) 2.202 7.241 ( 0.415 0.000 -0.187) 0.455 7.251 ( 0.204 0.000 -0.727) 0.755 7.298 ( 2.556 0.000 0.296) 2.573 7.307 ( -0.605 0.000 0.998) 1.167 7.365 ( 6.244 0.000 -2.228) 6.629 7.367 ( 0.761 0.000 1.369) 1.566 7.375 ( 2.550 0.000 0.883) 2.698 7.421 ( 1.590 0.000 -1.050) 1.906 7.508 ( -0.387 0.000 -2.625) 2.653 7.539 ( -1.790 0.000 0.548) 1.872 7.563 ( 6.811 0.000 0.917) 6.872 7.570 ( -2.041 0.000 -5.090) 5.483 7.593 ( -1.896 0.000 1.470) 2.399 7.634 ( -2.119 0.000 0.245) 2.133 7.638 ( -3.590 0.000 1.104) 3.756 7.745 ( -5.062 0.000 -1.858) 5.392 7.821 ( 6.349 0.000 -0.417) 6.363 7.840 ( -3.389 0.000 1.435) 3.680 7.888 ( 2.911 0.000 -1.825) 3.436 7.944 ( 5.544 0.000 1.634) 5.780 7.981 ( 3.261 0.000 1.649) 3.654 7.994 ( 4.477 0.000 2.488) 5.122 8.027 ( 4.616 0.000 -0.564) 4.650 8.032 ( 1.610 0.000 0.344) 1.647 8.062 ( 1.919 0.000 2.833) 3.422 8.101 ( -1.538 0.000 0.029) 1.538 8.103 ( -2.507 0.000 0.781) 2.626 8.110 ( -0.092 0.000 -0.302) 0.316 8.168 ( -4.887 0.000 -2.106) 5.321 8.393 ( 0.749 0.000 0.474) 0.886 8.425 ( 9.513 0.000 0.792) 9.546 8.465 ( -2.559 0.000 1.520) 2.976 8.510 ( -0.215 0.000 -1.230) 1.249 8.652 ( -2.489 0.000 -0.885) 2.642 8.705 ( 6.583 0.000 -0.586) 6.609 8.758 ( 6.006 0.000 4.492) 7.500 8.784 ( -2.276 0.000 2.651) 3.494 8.936 ( -2.964 0.000 -0.495) 3.005 8.949 ( -0.214 0.000 -0.916) 0.940 8.974 ( -4.235 0.000 0.192) 4.240 9.036 ( -3.962 0.000 -0.557) 4.001 9.102 ( 1.385 0.000 -2.544) 2.896 9.125 ( 1.150 0.000 -3.537) 3.719 9.184 ( -2.262 0.000 0.475) 2.312 9.301 ( -6.067 0.000 -6.052) 8.569 9.398 ( 1.786 0.000 0.215) 1.799 9.465 ( 2.024 0.000 1.557) 2.553 9.486 ( 1.365 0.000 1.708) 2.187 9.498 ( 0.789 0.000 -1.587) 1.772 9.548 ( 1.768 0.000 0.555) 1.853 9.577 ( 1.932 0.000 6.915) 7.179 9.616 ( -0.479 0.000 6.437) 6.455 9.623 ( 0.034 0.000 0.036) 0.049 9.768 ( 2.351 0.000 0.649) 2.439 9.801 ( 1.203 0.000 -1.964) 2.303 9.851 ( 3.429 0.000 -0.921) 3.551 9.922 ( -3.097 0.000 1.008) 3.257 9.977 ( 8.296 0.000 4.448) 9.413 10.040 ( 2.639 0.000 2.242) 3.463 10.075 ( 6.926 0.000 2.314) 7.302 10.085 ( 3.234 0.000 1.100) 3.416 10.163 ( 1.197 0.000 4.752) 4.901 10.376 ( -0.392 0.000 -1.845) 1.886 10.412 ( -0.790 0.000 -0.459) 0.914 10.504 ( 0.992 0.000 1.351) 1.676 10.530 ( -7.622 0.000 1.152) 7.708 10.551 ( -9.673 0.000 1.125) 9.738 10.563 ( -6.798 0.000 0.833) 6.849 10.784 ( 0.989 0.000 -2.595) 2.777 10.823 ( 4.348 0.000 -2.267) 4.903 10.927 ( -7.011 0.000 2.918) 7.594 10.965 ( -1.294 0.000 -0.922) 1.588 11.030 ( -4.030 0.000 -0.458) 4.056 11.090 ( -9.021 0.000 -0.607) 9.041 11.144 ( -10.259 0.000 -1.840) 10.423 11.194 ( -11.731 0.000 -3.066) 12.125 11.270 ( -12.241 0.000 -6.057) 13.658 15.719 ( 2.584 0.000 2.377) 3.511 15.734 ( 1.851 0.000 3.797) 4.224 15.837 ( 3.189 0.000 -0.698) 3.264 15.846 ( -2.781 0.000 1.920) 3.379 15.857 ( -3.143 0.000 1.147) 3.346 15.989 ( -0.937 0.000 -3.174) 3.309 16.018 ( -1.878 0.000 -3.083) 3.610 16.072 ( -1.180 0.000 -4.172) 4.336 16.329 ( 7.502 0.000 0.353) 7.511 16.345 ( 6.001 0.000 2.489) 6.497 16.383 ( 7.033 0.000 2.614) 7.503 16.523 ( 6.309 0.000 0.601) 6.338 16.691 ( -6.222 0.000 1.154) 6.328 16.704 ( -8.329 0.000 -0.370) 8.337 16.840 ( -4.109 0.000 -0.104) 4.110 16.854 ( -1.676 0.000 0.930) 1.917 16.855 ( 0.289 0.000 -0.961) 1.003 16.880 ( -0.431 0.000 -0.154) 0.458 16.943 ( -4.985 0.000 -3.336) 5.998 16.969 ( -9.387 0.000 -2.107) 9.620 17.126 ( -0.912 0.000 3.173) 3.302 17.133 ( -1.329 0.000 3.019) 3.298 17.365 ( -10.200 0.000 -2.613) 10.529 17.385 ( -10.530 0.000 -3.330) 11.044 18.086 ( -0.251 0.000 0.583) 0.634 18.090 ( -0.295 0.000 0.421) 0.514 18.121 ( 0.289 0.000 -0.414) 0.505 18.135 ( -0.215 0.000 -0.607) 0.644 18.196 ( 0.589 0.000 0.735) 0.942 18.215 ( 1.295 0.000 0.226) 1.315 18.224 ( -0.450 0.000 -0.066) 0.454 18.304 ( -2.482 0.000 -2.325) 3.401 ======================= Grid point 31 (15/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -10.228 0.000 6.799) 12.282 1.627 ( 10.228 0.000 6.799) 12.282 1.863 ( -4.640 0.000 7.965) 9.218 1.863 ( 4.640 0.000 7.965) 9.218 2.029 ( -4.354 0.000 1.946) 4.769 2.029 ( 4.354 0.000 1.946) 4.769 2.054 ( -4.176 0.000 -0.461) 4.201 2.054 ( 4.176 0.000 -0.461) 4.201 2.247 ( -5.600 0.000 7.541) 9.393 2.247 ( 5.600 0.000 7.541) 9.393 2.302 ( -4.892 0.000 -2.371) 5.436 2.302 ( 4.892 0.000 -2.371) 5.436 2.565 ( -2.000 0.000 -0.614) 2.092 2.565 ( 2.000 0.000 -0.614) 2.092 2.574 ( -3.286 0.000 1.689) 3.694 2.574 ( 3.286 0.000 1.689) 3.694 2.642 ( -7.204 0.000 4.223) 8.351 2.642 ( 7.204 0.000 4.223) 8.351 2.792 ( -0.924 0.000 1.080) 1.422 2.792 ( 0.924 0.000 1.080) 1.422 2.891 ( -7.305 0.000 4.594) 8.630 2.891 ( 7.305 0.000 4.594) 8.630 2.935 ( -10.090 0.000 -1.662) 10.226 2.935 ( 10.090 0.000 -1.662) 10.226 2.989 ( -1.896 0.000 -0.530) 1.969 2.989 ( 1.896 0.000 -0.530) 1.969 3.045 ( -4.909 0.000 0.840) 4.980 3.045 ( 4.909 0.000 0.840) 4.980 3.116 ( -9.058 0.000 -1.281) 9.148 3.116 ( 9.058 0.000 -1.281) 9.148 3.230 ( -3.326 0.000 -3.047) 4.511 3.230 ( 3.326 0.000 -3.047) 4.511 3.381 ( -3.404 0.000 -2.126) 4.013 3.381 ( 3.404 0.000 -2.126) 4.013 3.403 ( -3.476 0.000 -1.914) 3.968 3.403 ( 3.476 0.000 -1.914) 3.968 3.513 ( -0.840 0.000 3.681) 3.776 3.513 ( 0.840 0.000 3.681) 3.776 3.578 ( -1.275 0.000 0.655) 1.434 3.578 ( 1.275 0.000 0.655) 1.434 3.776 ( -1.277 0.000 2.622) 2.916 3.776 ( 1.277 0.000 2.622) 2.916 3.846 ( -5.252 0.000 -4.678) 7.033 3.846 ( 5.252 0.000 -4.678) 7.033 4.004 ( -4.044 0.000 -3.459) 5.321 4.004 ( 4.044 0.000 -3.459) 5.321 4.015 ( -2.794 0.000 -4.352) 5.172 4.015 ( 2.794 0.000 -4.352) 5.172 4.071 ( -1.059 0.000 -0.073) 1.061 4.071 ( 1.059 0.000 -0.073) 1.061 4.098 ( -1.605 0.000 -0.490) 1.678 4.098 ( 1.605 0.000 -0.490) 1.678 4.200 ( -5.118 0.000 -0.026) 5.118 4.200 ( 5.118 0.000 -0.026) 5.118 4.216 ( -1.928 0.000 2.504) 3.161 4.216 ( 1.928 0.000 2.504) 3.161 4.387 ( -2.522 0.000 1.814) 3.107 4.387 ( 2.522 0.000 1.814) 3.107 4.403 ( -3.093 0.000 -1.159) 3.303 4.403 ( 3.093 0.000 -1.159) 3.303 4.529 ( -3.177 0.000 0.671) 3.247 4.529 ( 3.177 0.000 0.671) 3.247 4.673 ( -3.268 0.000 0.753) 3.354 4.673 ( 3.268 0.000 0.753) 3.354 4.684 ( -5.659 0.000 -0.287) 5.667 4.684 ( 5.659 0.000 -0.287) 5.667 4.721 ( -2.939 0.000 -4.568) 5.432 4.721 ( 2.939 0.000 -4.568) 5.432 4.786 ( -2.655 0.000 -2.106) 3.389 4.786 ( 2.655 0.000 -2.106) 3.389 4.795 ( -2.716 0.000 1.295) 3.008 4.795 ( 2.716 0.000 1.295) 3.008 5.045 ( -2.644 0.000 -1.989) 3.308 5.045 ( 2.644 0.000 -1.989) 3.308 5.076 ( -3.165 0.000 -0.143) 3.168 5.076 ( 3.165 0.000 -0.143) 3.168 5.150 ( -5.996 0.000 0.622) 6.028 5.150 ( 5.996 0.000 0.622) 6.028 5.163 ( -2.032 0.000 0.834) 2.196 5.163 ( 2.032 0.000 0.834) 2.196 5.228 ( -5.260 0.000 1.729) 5.537 5.228 ( 5.260 0.000 1.729) 5.537 5.288 ( -2.765 0.000 2.550) 3.762 5.288 ( 2.765 0.000 2.550) 3.762 5.416 ( -6.110 0.000 2.261) 6.515 5.416 ( 6.110 0.000 2.261) 6.515 5.467 ( -1.839 0.000 -0.282) 1.861 5.467 ( 1.839 0.000 -0.282) 1.861 5.689 ( -2.174 0.000 -0.163) 2.180 5.689 ( 2.174 0.000 -0.163) 2.180 5.721 ( -0.958 0.000 -2.046) 2.259 5.721 ( 0.958 0.000 -2.046) 2.259 5.851 ( -6.191 0.000 -1.086) 6.286 5.851 ( 6.191 0.000 -1.086) 6.286 5.871 ( -4.123 0.000 -2.035) 4.598 5.871 ( 4.123 0.000 -2.035) 4.598 5.914 ( -2.612 0.000 3.990) 4.769 5.914 ( 2.612 0.000 3.990) 4.769 6.007 ( -1.751 0.000 2.899) 3.387 6.007 ( 1.751 0.000 2.899) 3.387 6.111 ( -4.977 0.000 -0.091) 4.978 6.111 ( 4.977 0.000 -0.091) 4.978 6.152 ( -2.676 0.000 -0.789) 2.790 6.152 ( 2.676 0.000 -0.789) 2.790 6.270 ( -3.762 0.000 2.397) 4.461 6.270 ( 3.762 0.000 2.397) 4.461 6.356 ( -2.581 0.000 2.602) 3.665 6.356 ( 2.581 0.000 2.602) 3.665 6.407 ( -3.713 0.000 -0.512) 3.748 6.407 ( 3.713 0.000 -0.512) 3.748 6.419 ( -5.437 0.000 0.020) 5.437 6.419 ( 5.437 0.000 0.020) 5.437 6.551 ( -5.168 0.000 -3.148) 6.051 6.551 ( 5.168 0.000 -3.148) 6.051 6.601 ( -8.299 0.000 -3.996) 9.211 6.601 ( 8.299 0.000 -3.996) 9.211 6.708 ( -3.838 0.000 -2.128) 4.388 6.708 ( 3.838 0.000 -2.128) 4.388 6.816 ( -1.851 0.000 -3.984) 4.393 6.816 ( 1.851 0.000 -3.984) 4.393 6.845 ( -4.035 0.000 -0.123) 4.037 6.845 ( 4.035 0.000 -0.123) 4.037 6.890 ( -0.702 0.000 0.696) 0.989 6.890 ( 0.702 0.000 0.696) 0.989 7.003 ( -2.860 0.000 0.542) 2.910 7.003 ( 2.860 0.000 0.542) 2.910 7.075 ( -2.480 0.000 -1.708) 3.011 7.075 ( 2.480 0.000 -1.708) 3.011 7.149 ( -1.871 0.000 -2.340) 2.996 7.149 ( 1.871 0.000 -2.340) 2.996 7.249 ( -1.568 0.000 0.001) 1.568 7.249 ( 1.568 0.000 0.001) 1.568 7.276 ( -2.292 0.000 0.484) 2.342 7.276 ( 2.292 0.000 0.484) 2.342 7.365 ( -3.429 0.000 -0.675) 3.494 7.365 ( 3.429 0.000 -0.675) 3.494 7.376 ( -1.431 0.000 2.166) 2.596 7.376 ( 1.431 0.000 2.166) 2.596 7.512 ( -2.130 0.000 -1.844) 2.818 7.512 ( 2.130 0.000 -1.844) 2.818 7.559 ( -4.173 0.000 -1.970) 4.615 7.559 ( 4.173 0.000 -1.970) 4.615 7.563 ( -3.394 0.000 -0.566) 3.441 7.563 ( 3.394 0.000 -0.566) 3.441 7.611 ( -5.504 0.000 1.414) 5.682 7.611 ( 5.504 0.000 1.414) 5.682 7.722 ( -6.916 0.000 0.275) 6.922 7.722 ( 6.916 0.000 0.275) 6.922 7.970 ( -6.023 0.000 0.248) 6.029 7.970 ( 6.023 0.000 0.248) 6.029 7.981 ( -4.387 0.000 -1.160) 4.538 7.981 ( 4.387 0.000 -1.160) 4.538 8.046 ( -2.179 0.000 1.610) 2.710 8.046 ( 2.179 0.000 1.610) 2.710 8.067 ( -0.397 0.000 0.775) 0.871 8.067 ( 0.397 0.000 0.775) 0.871 8.086 ( -2.140 0.000 0.373) 2.172 8.086 ( 2.140 0.000 0.373) 2.172 8.099 ( -2.288 0.000 -0.702) 2.393 8.099 ( 2.288 0.000 -0.702) 2.393 8.412 ( -1.924 0.000 0.718) 2.053 8.412 ( 1.924 0.000 0.718) 2.053 8.529 ( -1.187 0.000 -2.265) 2.557 8.529 ( 1.187 0.000 -2.265) 2.557 8.689 ( -6.443 0.000 2.872) 7.054 8.689 ( 6.443 0.000 2.872) 7.054 8.835 ( -3.436 0.000 0.365) 3.456 8.835 ( 3.436 0.000 0.365) 3.456 8.889 ( -2.465 0.000 2.059) 3.212 8.889 ( 2.465 0.000 2.059) 3.212 8.964 ( -2.146 0.000 -0.041) 2.147 8.964 ( 2.146 0.000 -0.041) 2.147 9.137 ( -2.032 0.000 -1.674) 2.633 9.137 ( 2.032 0.000 -1.674) 2.633 9.181 ( -4.574 0.000 -6.385) 7.854 9.181 ( 4.574 0.000 -6.385) 7.854 9.441 ( -2.078 0.000 1.334) 2.469 9.441 ( 2.078 0.000 1.334) 2.469 9.531 ( -2.189 0.000 -0.095) 2.191 9.531 ( 2.189 0.000 -0.095) 2.191 9.566 ( -3.894 0.000 3.039) 4.940 9.566 ( 3.894 0.000 3.039) 4.940 9.634 ( -1.852 0.000 3.718) 4.154 9.634 ( 1.852 0.000 3.718) 4.154 9.826 ( -3.061 0.000 0.861) 3.179 9.826 ( 3.061 0.000 0.861) 3.179 9.833 ( -3.296 0.000 1.743) 3.729 9.833 ( 3.296 0.000 1.743) 3.729 10.098 ( -1.427 0.000 4.523) 4.743 10.098 ( 1.427 0.000 4.523) 4.743 10.191 ( -8.578 0.000 2.928) 9.064 10.191 ( 8.578 0.000 2.928) 9.064 10.285 ( -8.426 0.000 0.372) 8.435 10.285 ( 8.426 0.000 0.372) 8.435 10.300 ( -8.677 0.000 1.425) 8.793 10.300 ( 8.677 0.000 1.425) 8.793 10.516 ( -0.726 0.000 0.796) 1.077 10.516 ( 0.726 0.000 0.796) 1.077 10.621 ( -9.735 0.000 -1.621) 9.869 10.621 ( 9.735 0.000 -1.621) 9.869 10.973 ( -8.107 0.000 -1.726) 8.289 10.973 ( 8.107 0.000 -1.726) 8.289 10.974 ( -1.805 0.000 -1.568) 2.391 10.974 ( 1.805 0.000 -1.568) 2.391 11.001 ( -2.034 0.000 -1.779) 2.702 11.001 ( 2.034 0.000 -1.779) 2.702 11.023 ( -10.164 0.000 -3.452) 10.734 11.023 ( 10.164 0.000 -3.452) 10.734 15.772 ( -0.877 0.000 1.513) 1.749 15.772 ( 0.877 0.000 1.513) 1.749 15.799 ( -0.814 0.000 2.775) 2.892 15.799 ( 0.814 0.000 2.775) 2.892 15.915 ( -4.129 0.000 -2.047) 4.609 15.915 ( 4.129 0.000 -2.047) 4.609 16.036 ( -1.854 0.000 -2.692) 3.269 16.036 ( 1.854 0.000 -2.692) 3.269 16.483 ( -4.991 0.000 -0.351) 5.003 16.483 ( 4.991 0.000 -0.351) 5.003 16.506 ( -9.074 0.000 -0.362) 9.082 16.506 ( 9.074 0.000 -0.362) 9.082 16.637 ( -8.287 0.000 1.803) 8.480 16.637 ( 8.287 0.000 1.803) 8.480 16.708 ( -10.549 0.000 -0.154) 10.550 16.708 ( 10.549 0.000 -0.154) 10.550 16.882 ( -0.552 0.000 0.262) 0.611 16.882 ( 0.552 0.000 0.262) 0.611 16.883 ( -1.777 0.000 0.406) 1.823 16.883 ( 1.777 0.000 0.406) 1.823 17.193 ( -6.061 0.000 -0.855) 6.121 17.193 ( 6.061 0.000 -0.855) 6.121 17.206 ( -6.394 0.000 -1.191) 6.504 17.206 ( 6.394 0.000 -1.191) 6.504 18.085 ( -0.148 0.000 0.869) 0.882 18.085 ( 0.148 0.000 0.869) 0.882 18.128 ( -0.373 0.000 -0.145) 0.401 18.128 ( 0.373 0.000 -0.145) 0.401 18.210 ( -0.736 0.000 0.094) 0.742 18.210 ( 0.736 0.000 0.094) 0.742 18.252 ( -2.243 0.000 -1.048) 2.476 18.252 ( 2.243 0.000 -1.048) 2.476 ======================= Grid point 36 (16/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 21.842 19.886) 29.539 0.932 ( 0.000 21.409 25.350) 33.180 1.245 ( 0.000 -15.661 11.261) 19.289 1.272 ( 0.000 -16.178 27.144) 31.599 1.304 ( 0.000 24.476 31.798) 40.127 1.761 ( 0.000 13.007 -3.564) 13.486 1.805 ( 0.000 -2.741 0.599) 2.805 1.948 ( 0.000 7.107 -8.200) 10.851 2.092 ( 0.000 15.762 4.674) 16.440 2.102 ( 0.000 -19.051 12.817) 22.961 2.143 ( 0.000 -7.402 -1.902) 7.642 2.200 ( 0.000 5.069 -1.369) 5.250 2.356 ( 0.000 -16.385 -4.247) 16.927 2.377 ( 0.000 -8.051 4.276) 9.116 2.413 ( 0.000 -16.903 2.950) 17.158 2.473 ( 0.000 -5.418 -3.437) 6.416 2.534 ( 0.000 -4.218 2.879) 5.107 2.560 ( 0.000 -2.908 0.227) 2.917 2.695 ( 0.000 -1.279 3.720) 3.934 2.711 ( 0.000 -1.769 -0.006) 1.769 2.881 ( 0.000 1.455 1.082) 1.813 2.902 ( 0.000 -0.324 0.296) 0.438 2.975 ( 0.000 1.709 -3.526) 3.919 2.978 ( 0.000 0.954 -0.178) 0.970 3.033 ( 0.000 7.193 0.398) 7.204 3.034 ( 0.000 3.104 -0.568) 3.155 3.095 ( 0.000 -1.879 -4.194) 4.595 3.122 ( 0.000 4.749 0.968) 4.847 3.208 ( 0.000 3.271 1.494) 3.596 3.244 ( 0.000 -4.842 -4.341) 6.503 3.269 ( 0.000 -2.626 1.262) 2.914 3.286 ( 0.000 -3.879 -1.162) 4.049 3.381 ( 0.000 1.940 -4.409) 4.817 3.425 ( 0.000 -0.623 -4.864) 4.904 3.442 ( 0.000 1.838 2.931) 3.459 3.497 ( 0.000 -4.766 1.314) 4.944 3.576 ( 0.000 3.864 -3.609) 5.287 3.586 ( 0.000 4.275 -0.813) 4.352 3.658 ( 0.000 2.885 -0.781) 2.988 3.693 ( 0.000 2.768 -6.795) 7.337 3.708 ( 0.000 -0.236 -1.688) 1.704 3.733 ( 0.000 2.308 0.349) 2.334 3.776 ( 0.000 -0.856 -1.637) 1.848 3.780 ( 0.000 -4.167 0.767) 4.237 3.883 ( 0.000 0.989 1.683) 1.952 3.901 ( 0.000 -2.224 -0.843) 2.379 3.904 ( 0.000 12.199 3.511) 12.695 3.939 ( 0.000 5.526 -3.684) 6.641 3.945 ( 0.000 -0.190 4.392) 4.396 4.073 ( 0.000 -4.406 1.634) 4.699 4.163 ( 0.000 6.753 0.724) 6.791 4.188 ( 0.000 5.208 -0.584) 5.240 4.248 ( 0.000 3.452 -3.789) 5.125 4.248 ( 0.000 -0.116 -4.726) 4.728 4.292 ( 0.000 -1.740 -1.408) 2.238 4.310 ( 0.000 -1.567 1.690) 2.305 4.334 ( 0.000 10.888 1.872) 11.048 4.387 ( 0.000 0.028 1.962) 1.962 4.399 ( 0.000 -1.803 -2.378) 2.984 4.450 ( 0.000 0.476 3.099) 3.135 4.480 ( 0.000 0.820 1.090) 1.364 4.509 ( 0.000 -2.892 2.972) 4.147 4.564 ( 0.000 -2.125 0.024) 2.125 4.597 ( 0.000 -2.680 -4.685) 5.398 4.643 ( 0.000 2.790 0.892) 2.929 4.673 ( 0.000 -0.504 3.007) 3.049 4.692 ( 0.000 -1.203 2.492) 2.767 4.725 ( 0.000 -5.570 -2.928) 6.293 4.729 ( 0.000 1.791 1.243) 2.180 4.811 ( 0.000 -5.355 -3.754) 6.540 4.814 ( 0.000 -2.025 -3.138) 3.735 4.870 ( 0.000 -8.334 -4.132) 9.302 4.906 ( 0.000 3.331 -3.613) 4.915 4.988 ( 0.000 -5.123 1.071) 5.233 5.030 ( 0.000 4.987 -4.510) 6.724 5.144 ( 0.000 0.943 -2.372) 2.552 5.167 ( 0.000 -7.908 -5.169) 9.448 5.188 ( 0.000 -4.783 5.965) 7.646 5.223 ( 0.000 1.754 3.326) 3.760 5.257 ( 0.000 -3.202 1.340) 3.471 5.266 ( 0.000 9.311 -0.404) 9.320 5.344 ( 0.000 3.169 3.335) 4.601 5.393 ( 0.000 0.100 -1.509) 1.513 5.420 ( 0.000 -1.563 -3.188) 3.551 5.437 ( 0.000 5.307 3.538) 6.378 5.537 ( 0.000 0.064 -7.678) 7.678 5.558 ( 0.000 -7.970 2.784) 8.443 5.596 ( 0.000 -6.709 -6.060) 9.041 5.661 ( 0.000 3.662 1.818) 4.089 5.728 ( 0.000 -0.664 3.154) 3.223 5.760 ( 0.000 1.344 -7.766) 7.881 5.792 ( 0.000 -2.884 -5.872) 6.542 5.873 ( 0.000 2.545 3.916) 4.670 5.900 ( 0.000 1.781 -4.437) 4.781 5.930 ( 0.000 4.090 2.421) 4.753 5.947 ( 0.000 0.135 -5.786) 5.788 6.013 ( 0.000 -2.765 -2.279) 3.583 6.055 ( 0.000 -3.687 -0.914) 3.799 6.082 ( 0.000 1.661 0.584) 1.760 6.130 ( 0.000 -2.675 0.077) 2.676 6.201 ( 0.000 3.890 3.646) 5.332 6.234 ( 0.000 0.952 -0.316) 1.003 6.240 ( 0.000 -0.454 0.966) 1.067 6.291 ( 0.000 -3.623 -0.728) 3.695 6.316 ( 0.000 2.671 2.619) 3.741 6.329 ( 0.000 1.190 2.598) 2.858 6.348 ( 0.000 0.440 0.406) 0.599 6.394 ( 0.000 -1.975 2.801) 3.427 6.429 ( 0.000 0.002 5.277) 5.277 6.464 ( 0.000 -2.042 7.513) 7.786 6.556 ( 0.000 2.661 -4.638) 5.347 6.567 ( 0.000 0.601 7.670) 7.694 6.602 ( 0.000 1.341 2.568) 2.897 6.605 ( 0.000 -0.337 -6.040) 6.050 6.617 ( 0.000 -0.856 3.112) 3.228 6.641 ( 0.000 0.628 -2.002) 2.098 6.659 ( 0.000 1.264 -4.269) 4.452 6.679 ( 0.000 -1.446 -2.437) 2.833 6.785 ( 0.000 4.254 -2.546) 4.958 6.846 ( 0.000 -2.155 -6.322) 6.679 6.851 ( 0.000 1.544 0.947) 1.811 6.883 ( 0.000 3.236 -1.792) 3.699 6.889 ( 0.000 -1.323 2.236) 2.598 6.930 ( 0.000 -0.857 0.192) 0.879 6.956 ( 0.000 4.263 0.122) 4.264 7.005 ( 0.000 -4.620 -1.346) 4.812 7.008 ( 0.000 0.124 -1.711) 1.716 7.097 ( 0.000 -4.861 0.505) 4.887 7.098 ( 0.000 1.028 -0.778) 1.289 7.109 ( 0.000 -1.080 2.560) 2.779 7.149 ( 0.000 4.619 -1.082) 4.744 7.181 ( 0.000 2.990 1.717) 3.448 7.203 ( 0.000 0.733 -2.139) 2.261 7.233 ( 0.000 -2.388 -1.149) 2.650 7.257 ( 0.000 -2.247 3.942) 4.538 7.267 ( 0.000 -3.146 4.345) 5.365 7.291 ( 0.000 2.578 3.520) 4.363 7.324 ( 0.000 -0.827 4.115) 4.197 7.344 ( 0.000 1.319 -1.991) 2.388 7.386 ( 0.000 -4.294 0.275) 4.303 7.442 ( 0.000 1.207 2.555) 2.826 7.488 ( 0.000 -1.875 1.846) 2.631 7.521 ( 0.000 2.832 2.977) 4.109 7.583 ( 0.000 -3.669 2.581) 4.486 7.587 ( 0.000 1.279 -0.034) 1.279 7.633 ( 0.000 -3.750 0.432) 3.774 7.647 ( 0.000 1.493 -4.618) 4.853 7.684 ( 0.000 -4.579 2.546) 5.239 7.723 ( 0.000 0.790 -4.276) 4.348 7.779 ( 0.000 -6.192 -2.577) 6.707 7.810 ( 0.000 5.295 0.888) 5.369 7.859 ( 0.000 2.751 1.255) 3.024 7.886 ( 0.000 -2.359 0.646) 2.446 7.895 ( 0.000 -0.874 0.588) 1.054 7.934 ( 0.000 -1.858 1.282) 2.258 7.941 ( 0.000 -1.554 1.941) 2.486 8.042 ( 0.000 2.421 4.679) 5.268 8.081 ( 0.000 -2.303 3.631) 4.300 8.322 ( 0.000 2.490 -2.724) 3.690 8.354 ( 0.000 -1.886 -3.270) 3.775 8.408 ( 0.000 8.034 1.705) 8.213 8.476 ( 0.000 4.822 4.659) 6.705 8.513 ( 0.000 3.732 -0.271) 3.742 8.553 ( 0.000 -0.896 0.077) 0.899 8.568 ( 0.000 -2.227 2.751) 3.539 8.573 ( 0.000 -7.841 -0.571) 7.862 8.605 ( 0.000 1.059 1.198) 1.599 8.648 ( 0.000 -4.918 3.750) 6.184 8.908 ( 0.000 3.514 -5.017) 6.125 8.985 ( 0.000 -3.395 -6.818) 7.617 9.029 ( 0.000 0.266 -2.694) 2.707 9.038 ( 0.000 -1.634 -1.219) 2.038 9.144 ( 0.000 3.578 -1.194) 3.772 9.228 ( 0.000 -5.464 0.039) 5.464 9.255 ( 0.000 6.744 -1.324) 6.873 9.338 ( 0.000 -3.576 -0.542) 3.617 9.389 ( 0.000 2.315 0.051) 2.315 9.415 ( 0.000 -0.721 0.400) 0.825 9.455 ( 0.000 0.758 3.474) 3.556 9.477 ( 0.000 -2.276 5.616) 6.060 9.516 ( 0.000 2.913 -0.572) 2.969 9.577 ( 0.000 -1.266 0.019) 1.266 9.588 ( 0.000 0.361 -0.629) 0.725 9.621 ( 0.000 -1.640 -1.664) 2.336 9.661 ( 0.000 0.260 -1.311) 1.336 9.681 ( 0.000 -3.378 2.524) 4.217 9.759 ( 0.000 4.075 2.780) 4.933 9.813 ( 0.000 3.955 1.655) 4.287 9.828 ( 0.000 -2.715 4.168) 4.975 9.870 ( 0.000 -2.491 -0.533) 2.547 9.990 ( 0.000 2.226 -5.185) 5.643 10.048 ( 0.000 -4.134 -3.201) 5.229 10.212 ( 0.000 0.850 6.422) 6.478 10.236 ( 0.000 -1.948 5.457) 5.795 10.375 ( 0.000 -0.156 3.110) 3.114 10.381 ( 0.000 -0.632 1.636) 1.754 10.622 ( 0.000 6.963 -2.528) 7.408 10.747 ( 0.000 -6.736 -1.165) 6.836 10.902 ( 0.000 2.960 -8.471) 8.973 10.924 ( 0.000 -0.140 -3.827) 3.829 11.124 ( 0.000 3.477 1.293) 3.710 11.183 ( 0.000 -2.838 0.304) 2.855 11.200 ( 0.000 4.511 0.146) 4.513 11.293 ( 0.000 -4.944 -1.891) 5.294 11.572 ( 0.000 14.919 -4.440) 15.565 11.680 ( 0.000 6.022 -0.258) 6.027 11.743 ( 0.000 -5.225 -2.621) 5.845 11.774 ( 0.000 -3.864 -1.431) 4.121 15.694 ( 0.000 4.358 8.467) 9.523 15.819 ( 0.000 4.163 0.872) 4.254 15.841 ( 0.000 -12.332 9.961) 15.852 15.911 ( 0.000 -4.562 0.490) 4.588 15.946 ( 0.000 1.285 -0.702) 1.465 15.947 ( 0.000 0.097 -0.409) 0.420 15.963 ( 0.000 -2.614 -0.363) 2.639 15.984 ( 0.000 -1.949 -1.013) 2.197 16.302 ( 0.000 1.076 8.716) 8.783 16.342 ( 0.000 -1.981 2.884) 3.499 16.603 ( 0.000 1.039 0.527) 1.165 16.623 ( 0.000 -0.769 1.277) 1.491 16.651 ( 0.000 -1.828 3.423) 3.880 16.653 ( 0.000 -0.703 3.513) 3.582 16.810 ( 0.000 1.094 -0.520) 1.211 16.837 ( 0.000 -1.687 -0.594) 1.788 16.928 ( 0.000 5.671 -4.258) 7.092 16.961 ( 0.000 1.213 -4.114) 4.289 16.970 ( 0.000 0.398 -3.033) 3.059 17.060 ( 0.000 -7.447 -4.077) 8.490 17.682 ( 0.000 6.075 0.430) 6.090 17.786 ( 0.000 -4.831 0.635) 4.873 17.864 ( 0.000 9.253 -9.485) 13.251 17.938 ( 0.000 -1.094 -4.594) 4.722 18.034 ( 0.000 0.043 0.409) 0.411 18.034 ( 0.000 -0.014 -0.180) 0.180 18.103 ( 0.000 0.282 -1.740) 1.762 18.107 ( 0.000 -0.182 -1.772) 1.781 18.155 ( 0.000 0.115 2.654) 2.656 18.160 ( 0.000 -0.561 2.449) 2.512 18.286 ( 0.000 3.454 -3.052) 4.610 18.331 ( 0.000 -1.484 -3.373) 3.685 ======================= Grid point 37 (17/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 7.118 18.272 15.613) 25.066 1.064 ( 9.550 7.596 25.579) 28.341 1.269 ( 4.846 -18.876 10.825) 22.293 1.342 ( 7.202 -5.785 22.220) 24.063 1.505 ( 15.173 24.279 24.031) 37.378 1.744 ( 0.440 7.417 -4.700) 8.792 1.874 ( 1.261 -0.313 -0.851) 1.553 1.975 ( 1.746 -0.312 -1.492) 2.318 2.089 ( 5.364 2.306 6.086) 8.434 2.116 ( 2.214 4.860 0.850) 5.408 2.169 ( -0.507 7.047 1.735) 7.275 2.292 ( 7.710 -11.171 3.051) 13.912 2.364 ( 1.799 -12.860 -0.132) 12.986 2.383 ( 2.598 -8.722 -0.165) 9.102 2.415 ( 1.486 -1.742 -1.931) 2.996 2.520 ( 3.232 -9.422 -0.198) 9.963 2.601 ( 2.219 -3.571 0.074) 4.204 2.616 ( 3.835 -1.524 3.289) 5.277 2.655 ( -2.419 0.973 1.563) 3.040 2.720 ( 3.206 -4.917 3.353) 6.759 2.859 ( 0.608 0.823 -0.334) 1.077 2.885 ( 0.377 -3.615 1.153) 3.813 2.983 ( -2.840 6.686 -0.325) 7.272 2.999 ( 0.403 4.743 -4.719) 6.703 3.051 ( -0.666 0.987 0.719) 1.391 3.067 ( -0.793 -1.142 -3.083) 3.381 3.073 ( 1.950 0.684 0.877) 2.244 3.103 ( -0.574 0.361 -1.109) 1.300 3.175 ( -1.974 0.303 1.933) 2.779 3.212 ( -0.796 -3.976 0.117) 4.056 3.275 ( 0.108 0.002 2.337) 2.339 3.316 ( 0.323 -5.102 1.514) 5.331 3.373 ( -0.194 3.503 -4.865) 5.998 3.461 ( 2.255 -2.308 -3.645) 4.868 3.495 ( 2.046 0.456 -2.980) 3.644 3.518 ( 0.340 -3.010 -0.801) 3.133 3.562 ( -2.948 1.944 -3.419) 4.915 3.582 ( -1.813 -1.259 -2.901) 3.646 3.618 ( -1.127 3.067 -2.448) 4.083 3.680 ( -1.303 0.855 -1.212) 1.975 3.691 ( -0.882 1.970 -1.092) 2.419 3.744 ( -0.914 -1.140 1.769) 2.294 3.765 ( -0.738 1.153 1.643) 2.138 3.800 ( 2.902 0.879 -0.214) 3.039 3.840 ( -3.651 2.016 3.086) 5.189 3.899 ( 1.953 -2.436 -0.695) 3.199 3.920 ( 1.521 8.431 -2.855) 9.030 3.968 ( 1.677 4.463 -0.645) 4.811 4.018 ( 4.399 0.425 1.764) 4.758 4.090 ( 0.766 -2.638 1.429) 3.096 4.169 ( 0.871 5.098 0.497) 5.196 4.186 ( 0.320 3.938 1.209) 4.132 4.247 ( -1.720 -0.475 0.650) 1.899 4.264 ( 1.530 1.811 -3.631) 4.336 4.280 ( 0.877 2.203 -3.981) 4.634 4.311 ( -1.764 -1.486 -0.012) 2.306 4.349 ( -0.568 5.333 2.381) 5.868 4.381 ( 2.116 -0.622 -0.493) 2.260 4.420 ( 0.386 -0.288 -1.963) 2.021 4.431 ( -0.729 0.802 1.263) 1.665 4.468 ( 0.543 2.383 -2.254) 3.325 4.509 ( -0.356 -3.586 0.393) 3.625 4.557 ( -0.484 0.144 0.365) 0.623 4.577 ( -2.372 3.650 -0.980) 4.462 4.607 ( 1.337 -0.875 -1.772) 2.386 4.655 ( -3.313 -5.429 1.724) 6.589 4.688 ( -0.483 -2.604 0.710) 2.742 4.693 ( 0.325 -2.012 -0.839) 2.204 4.754 ( -0.004 -1.940 1.036) 2.199 4.778 ( -2.601 -1.933 -0.800) 3.339 4.852 ( -0.250 -0.548 -3.414) 3.467 4.883 ( 1.799 -3.860 -2.317) 4.848 4.958 ( 4.624 1.379 -1.511) 5.056 5.029 ( 2.456 -1.465 -1.702) 3.328 5.079 ( 3.736 -1.508 -4.698) 6.189 5.102 ( -3.187 -2.513 -0.660) 4.112 5.161 ( 0.048 2.291 -3.375) 4.079 5.172 ( -0.756 -0.518 0.464) 1.027 5.233 ( -0.866 1.988 -1.047) 2.408 5.258 ( 2.726 -1.519 3.422) 4.631 5.282 ( 0.627 1.810 1.915) 2.709 5.327 ( -2.404 2.432 0.392) 3.442 5.379 ( -1.070 1.610 -2.808) 3.409 5.406 ( -5.167 1.906 1.076) 5.611 5.429 ( -0.240 0.718 -1.968) 2.108 5.496 ( -1.459 6.566 0.817) 6.776 5.507 ( -2.377 -6.894 0.209) 7.295 5.596 ( 0.224 -3.323 1.088) 3.503 5.633 ( -1.014 -0.601 -0.858) 1.458 5.690 ( -3.145 -4.457 0.065) 5.455 5.709 ( -4.763 -0.706 -3.768) 6.115 5.784 ( -2.432 -7.025 -2.823) 7.952 5.824 ( -3.121 2.034 -3.957) 5.434 5.863 ( -5.927 -1.371 -2.311) 6.507 5.930 ( 0.461 3.733 -0.654) 3.817 5.944 ( 0.350 1.048 -2.509) 2.742 5.992 ( 1.777 1.397 -2.890) 3.669 6.049 ( -0.639 0.598 4.232) 4.321 6.100 ( -2.694 -2.040 -3.999) 5.235 6.106 ( 1.511 -1.899 1.450) 2.827 6.178 ( -1.998 4.823 0.319) 5.230 6.208 ( -0.560 2.136 0.686) 2.312 6.238 ( -1.502 0.403 3.776) 4.083 6.296 ( -1.734 0.008 0.229) 1.749 6.317 ( -2.451 2.602 -0.886) 3.683 6.324 ( -1.931 0.213 3.454) 3.963 6.351 ( 2.442 -5.037 1.819) 5.886 6.372 ( -3.142 -1.404 1.598) 3.795 6.414 ( -0.616 -0.222 4.193) 4.244 6.431 ( -0.941 -2.171 5.524) 6.009 6.510 ( -3.456 0.939 -0.053) 3.582 6.536 ( -3.216 -1.492 0.733) 3.620 6.559 ( -2.798 1.385 5.481) 6.308 6.580 ( -3.189 -0.434 7.752) 8.393 6.599 ( -1.241 0.703 -0.229) 1.445 6.632 ( 2.748 -2.208 -2.940) 4.590 6.698 ( 1.959 2.522 -5.696) 6.530 6.730 ( 2.969 -1.270 -5.128) 6.061 6.808 ( 1.875 3.193 -2.452) 4.441 6.837 ( 0.749 1.822 -2.218) 2.966 6.861 ( -0.405 1.492 -1.941) 2.481 6.885 ( 1.027 -0.159 0.842) 1.337 6.915 ( 1.355 0.812 0.929) 1.833 6.931 ( 0.499 -1.276 -1.382) 1.946 6.982 ( 1.735 5.992 0.905) 6.304 6.993 ( -2.223 1.097 -1.579) 2.939 7.048 ( 0.190 -3.526 0.690) 3.598 7.065 ( -1.380 -1.272 1.908) 2.677 7.097 ( -0.411 -0.536 -2.043) 2.152 7.146 ( 4.287 0.563 -2.717) 5.107 7.166 ( 1.220 -3.480 -1.263) 3.898 7.186 ( 2.218 1.638 -1.206) 3.009 7.216 ( 1.413 1.537 -3.390) 3.981 7.237 ( 2.106 -0.810 -0.341) 2.283 7.261 ( 1.188 -1.132 2.182) 2.730 7.269 ( 0.312 -1.128 -0.526) 1.283 7.332 ( 0.125 1.412 -0.439) 1.484 7.368 ( 1.898 0.324 -2.354) 3.041 7.386 ( 3.582 0.400 4.889) 6.074 7.392 ( 1.280 -0.270 5.209) 5.371 7.472 ( 2.432 -0.841 2.928) 3.899 7.500 ( 1.556 -0.229 -0.986) 1.856 7.515 ( -1.043 -1.087 1.604) 2.201 7.540 ( 0.093 -3.026 5.217) 6.032 7.625 ( 0.636 -0.257 2.242) 2.344 7.662 ( 3.724 -2.545 3.992) 6.023 7.687 ( 3.275 1.421 -0.999) 3.707 7.703 ( 4.093 1.166 -2.032) 4.716 7.758 ( 2.282 0.512 -2.754) 3.614 7.805 ( 2.750 -2.431 -2.661) 4.533 7.838 ( 2.213 1.788 0.063) 2.846 7.865 ( 0.825 2.135 1.776) 2.897 7.889 ( -1.222 -2.318 0.409) 2.652 7.901 ( 0.978 -1.157 0.425) 1.573 7.936 ( 1.388 0.600 0.670) 1.653 7.960 ( 1.661 -1.443 1.018) 2.424 8.021 ( -1.301 3.045 3.159) 4.577 8.074 ( -0.622 -3.287 2.605) 4.240 8.267 ( -4.664 0.160 -1.411) 4.875 8.289 ( -5.005 -1.996 -2.445) 5.917 8.382 ( -1.585 8.900 1.647) 9.189 8.475 ( -2.003 5.081 -0.424) 5.478 8.523 ( 0.353 -0.925 1.392) 1.708 8.537 ( 2.190 1.434 4.052) 4.824 8.555 ( -1.369 -3.342 1.713) 3.997 8.605 ( 2.487 -5.099 0.570) 5.702 8.645 ( 2.285 3.136 1.717) 4.243 8.702 ( 3.550 -4.148 1.850) 5.765 8.933 ( 1.890 1.475 -3.546) 4.281 8.993 ( 0.839 -3.552 -4.751) 5.991 9.022 ( -0.327 0.146 -1.629) 1.668 9.039 ( -0.120 -2.007 -1.825) 2.715 9.162 ( 1.233 3.399 -0.674) 3.678 9.210 ( -1.091 -0.755 0.568) 1.443 9.268 ( -0.823 6.932 -1.210) 7.085 9.341 ( 0.845 -3.356 -2.026) 4.010 9.386 ( -0.562 -0.148 1.508) 1.616 9.403 ( 1.610 -0.942 1.069) 2.150 9.494 ( -1.888 2.907 1.533) 3.790 9.515 ( 1.852 1.153 -0.665) 2.281 9.531 ( -0.907 -0.038 0.145) 0.919 9.540 ( 1.404 -0.330 2.441) 2.835 9.570 ( 0.344 0.450 2.328) 2.396 9.639 ( 0.278 1.396 1.012) 1.746 9.646 ( -0.062 -2.470 -1.397) 2.838 9.670 ( 2.510 -0.702 -2.766) 3.801 9.792 ( -1.224 3.759 2.068) 4.462 9.813 ( 1.478 0.841 0.134) 1.706 9.872 ( 2.738 -2.860 3.259) 5.128 9.889 ( 1.736 -2.386 -0.208) 2.958 9.969 ( -1.519 1.714 -5.204) 5.686 10.034 ( -1.538 -5.542 -2.799) 6.397 10.211 ( 0.668 2.182 5.849) 6.278 10.263 ( 2.037 -3.518 5.744) 7.037 10.385 ( 0.585 0.873 0.978) 1.436 10.404 ( 2.134 -1.251 2.377) 3.430 10.637 ( 1.171 5.747 -2.368) 6.325 10.742 ( -0.396 -5.528 -1.655) 5.784 10.874 ( -4.040 0.600 -3.117) 5.138 10.883 ( -3.376 -0.215 -5.083) 6.106 11.062 ( -6.740 6.753 3.545) 10.178 11.113 ( -3.096 3.912 1.476) 5.203 11.170 ( -3.077 -1.836 0.692) 3.649 11.249 ( -4.964 -6.511 1.051) 8.255 11.570 ( -4.181 5.034 -7.281) 9.789 11.595 ( -6.422 4.840 -1.029) 8.107 11.653 ( -9.666 -3.048 -2.683) 10.484 11.677 ( -7.005 -3.199 -2.125) 7.988 15.683 ( -0.622 2.839 7.096) 7.668 15.766 ( -4.753 -5.939 10.413) 12.895 15.815 ( -0.359 3.583 1.360) 3.850 15.905 ( -0.299 -5.403 0.387) 5.425 15.926 ( -1.385 0.900 -0.083) 1.654 15.957 ( -1.816 -1.911 -0.529) 2.689 15.989 ( 3.343 0.021 -1.976) 3.883 15.995 ( 2.936 -0.982 -2.376) 3.902 16.257 ( -2.008 6.038 3.573) 7.298 16.342 ( -0.111 -2.501 2.704) 3.685 16.409 ( -7.360 3.627 4.113) 9.179 16.469 ( -7.308 -2.035 3.371) 8.302 16.720 ( 3.979 3.039 1.173) 5.143 16.766 ( 1.511 -1.167 -0.716) 2.039 16.817 ( 0.706 -0.503 -0.246) 0.901 16.832 ( -0.200 -1.377 -0.609) 1.519 16.968 ( 0.808 2.682 -2.001) 3.442 16.985 ( 1.036 0.286 -2.457) 2.682 16.989 ( 1.782 0.286 -2.661) 3.215 17.049 ( -2.460 -4.933 -2.540) 6.069 17.562 ( -10.165 3.166 1.537) 10.757 17.594 ( -11.220 0.209 2.122) 11.421 17.841 ( -8.347 0.277 -4.509) 9.491 17.852 ( -7.713 -0.669 -5.980) 9.783 18.071 ( 2.062 1.202 -1.044) 2.605 18.096 ( 1.113 -0.986 -1.442) 2.071 18.111 ( 0.382 0.098 -1.402) 1.456 18.121 ( 1.601 -1.549 -1.674) 2.786 18.161 ( 1.172 0.070 1.895) 2.230 18.162 ( 0.974 -0.057 2.020) 2.243 18.267 ( -1.043 3.054 -1.837) 3.714 18.321 ( -0.358 -2.783 -4.573) 5.366 ======================= Grid point 38 (18/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 15.387 9.062 9.406) 20.183 1.308 ( 13.344 -7.250 12.111) 19.424 1.440 ( 10.224 -4.669 18.458) 21.610 1.560 ( 12.443 -5.569 10.566) 17.247 1.771 ( 6.387 1.222 4.255) 7.771 1.800 ( 1.016 -2.420 -2.543) 3.655 1.888 ( 9.143 11.936 6.780) 16.493 2.078 ( 6.447 8.593 0.352) 10.749 2.139 ( 2.584 -0.904 4.240) 5.047 2.240 ( 5.095 6.314 0.724) 8.146 2.251 ( 5.867 9.609 5.712) 12.625 2.351 ( 1.955 -12.048 1.475) 12.295 2.425 ( 2.816 0.526 1.417) 3.196 2.486 ( 5.723 -1.474 -4.410) 7.373 2.524 ( 1.144 2.324 -0.695) 2.682 2.570 ( 6.249 -4.257 -0.303) 7.567 2.599 ( -1.275 -4.577 0.803) 4.819 2.632 ( 1.745 -7.326 0.510) 7.548 2.699 ( 2.529 5.547 0.906) 6.164 2.796 ( 0.661 -1.753 1.518) 2.411 2.874 ( -0.448 3.254 0.904) 3.407 2.889 ( -5.280 3.412 0.733) 6.329 2.956 ( -1.762 1.369 1.856) 2.902 2.994 ( 6.703 -1.924 -2.169) 7.303 3.015 ( -2.203 -1.024 -0.212) 2.438 3.055 ( 2.072 2.889 1.251) 3.769 3.077 ( -0.994 -2.712 0.771) 2.989 3.125 ( -0.671 -4.251 -1.822) 4.673 3.143 ( -1.596 -0.780 3.747) 4.147 3.184 ( -1.368 -4.176 7.120) 8.367 3.276 ( 1.004 -2.609 -0.905) 2.938 3.293 ( -0.432 -2.255 -1.954) 3.015 3.370 ( -2.520 2.431 -3.582) 5.009 3.442 ( -4.614 -3.230 -3.856) 6.826 3.486 ( -1.698 0.300 -3.501) 3.903 3.493 ( -0.856 -1.867 -0.717) 2.175 3.508 ( -2.198 -1.096 -2.063) 3.207 3.540 ( -2.457 -3.136 -1.668) 4.319 3.590 ( -1.117 2.510 -0.232) 2.758 3.631 ( -1.679 -1.011 -0.713) 2.086 3.702 ( 1.534 2.938 1.967) 3.854 3.740 ( -1.006 3.408 4.957) 6.099 3.759 ( 3.278 -3.011 -0.322) 4.463 3.789 ( -0.310 2.839 -0.498) 2.899 3.865 ( 2.746 -1.705 2.975) 4.394 3.926 ( -1.979 7.519 -0.436) 7.787 3.952 ( 1.639 -8.947 -1.011) 9.152 4.010 ( 2.034 2.517 -0.668) 3.304 4.061 ( -3.288 -0.976 3.852) 5.158 4.093 ( 3.365 -1.029 -0.443) 3.547 4.155 ( -2.584 3.008 -3.606) 5.360 4.197 ( -0.648 3.050 -0.489) 3.156 4.222 ( 0.175 -0.292 -2.744) 2.765 4.254 ( -2.002 0.354 -3.693) 4.216 4.282 ( -2.653 -1.386 -3.628) 4.704 4.286 ( -1.012 -0.709 -0.952) 1.560 4.357 ( 2.611 4.443 -0.573) 5.185 4.375 ( -1.413 2.279 -0.288) 2.697 4.428 ( 2.058 2.029 -2.630) 3.907 4.440 ( -0.007 4.847 -0.105) 4.848 4.513 ( 1.239 1.887 -0.143) 2.262 4.533 ( 1.647 -2.156 -1.259) 2.991 4.545 ( 1.787 -2.089 1.244) 3.017 4.582 ( -0.522 -2.320 -3.786) 4.471 4.620 ( -0.975 0.216 0.199) 1.019 4.649 ( 1.037 -0.129 2.759) 2.950 4.669 ( 0.928 -1.062 2.330) 2.724 4.687 ( -0.186 -3.044 -0.841) 3.164 4.728 ( 1.456 1.224 0.023) 1.902 4.760 ( 0.620 -1.634 -1.374) 2.223 4.851 ( -0.220 1.680 -1.467) 2.241 4.913 ( 1.479 -4.082 -1.964) 4.766 5.010 ( 0.273 4.165 -2.512) 4.872 5.046 ( -1.765 1.065 -4.452) 4.906 5.074 ( 1.338 1.264 -3.122) 3.624 5.135 ( -3.629 2.046 2.104) 4.667 5.153 ( 1.453 0.661 -0.777) 1.775 5.169 ( -1.659 -3.172 -0.759) 3.659 5.206 ( 1.196 2.845 -1.231) 3.323 5.209 ( -3.385 0.906 -1.877) 3.975 5.274 ( -0.937 3.161 2.818) 4.337 5.313 ( -2.484 1.500 0.019) 2.902 5.355 ( 1.535 -1.913 1.257) 2.756 5.381 ( 0.137 -1.151 3.517) 3.703 5.413 ( -2.098 -2.526 -0.255) 3.293 5.442 ( -3.419 -2.796 0.333) 4.429 5.491 ( -0.583 5.227 -0.239) 5.265 5.550 ( -3.481 -0.131 -0.625) 3.539 5.600 ( -0.999 1.054 2.367) 2.776 5.615 ( 1.396 -6.118 -2.098) 6.617 5.666 ( -1.384 -4.182 1.513) 4.658 5.713 ( -0.915 -4.164 3.324) 5.406 5.814 ( 1.205 1.584 -7.062) 7.337 5.862 ( 2.553 -2.650 -5.997) 7.036 5.906 ( -2.852 4.985 0.719) 5.788 5.942 ( -0.632 2.389 1.451) 2.866 5.988 ( -1.050 -1.002 -0.621) 1.579 6.025 ( -2.742 -0.913 -6.933) 7.511 6.047 ( -0.392 0.041 2.041) 2.078 6.104 ( -3.322 -2.977 -0.723) 4.519 6.139 ( -2.331 1.484 2.519) 3.739 6.150 ( -4.066 1.753 1.118) 4.567 6.207 ( -0.587 4.457 1.998) 4.920 6.226 ( -3.553 1.559 1.947) 4.342 6.253 ( -1.768 -2.017 1.431) 3.040 6.282 ( -1.414 1.533 -1.516) 2.578 6.316 ( -1.550 -0.752 0.162) 1.730 6.348 ( -1.488 -7.657 3.909) 8.725 6.381 ( -3.520 0.472 3.459) 4.958 6.398 ( -2.715 -1.002 1.938) 3.483 6.463 ( -3.047 -0.434 4.430) 5.395 6.475 ( -3.012 -1.638 3.680) 5.030 6.526 ( 1.205 2.147 2.755) 3.695 6.566 ( 2.928 -1.431 1.002) 3.409 6.612 ( 1.933 3.805 -0.883) 4.358 6.689 ( -0.444 -0.379 -3.008) 3.064 6.702 ( 0.802 -1.206 -2.704) 3.067 6.755 ( -0.671 -2.371 -4.165) 4.839 6.813 ( -0.334 2.855 -1.904) 3.448 6.869 ( -0.143 0.590 -1.591) 1.703 6.874 ( 0.230 -0.006 0.237) 0.330 6.895 ( 0.183 -1.113 0.508) 1.237 6.912 ( 0.905 1.230 -0.661) 1.664 6.939 ( -1.902 2.955 0.496) 3.549 6.964 ( -0.229 -2.890 -1.704) 3.363 6.977 ( -0.070 0.051 -0.366) 0.376 7.059 ( -0.342 0.141 -0.839) 0.917 7.094 ( 5.030 4.828 -0.019) 6.972 7.104 ( 0.834 -3.020 -2.120) 3.783 7.165 ( 0.435 -1.524 -1.803) 2.401 7.217 ( -0.201 0.600 -2.649) 2.724 7.233 ( -0.697 -0.805 0.955) 1.430 7.245 ( 0.072 0.696 -1.091) 1.296 7.267 ( 0.423 -0.398 -1.503) 1.612 7.269 ( 2.613 0.499 -1.327) 2.972 7.301 ( 0.800 -0.937 -2.080) 2.417 7.354 ( 3.132 1.979 1.489) 3.993 7.381 ( 1.285 -0.930 -0.792) 1.773 7.414 ( 1.045 4.665 -0.093) 4.782 7.475 ( 3.748 2.874 -0.646) 4.767 7.512 ( 1.394 -0.541 0.829) 1.710 7.528 ( 3.015 -0.836 0.115) 3.131 7.560 ( 2.247 -1.374 -2.938) 3.946 7.582 ( 2.119 -3.817 1.017) 4.483 7.648 ( 0.418 3.294 4.095) 5.272 7.726 ( 2.002 -1.858 3.279) 4.268 7.769 ( 0.695 5.871 -0.610) 5.943 7.781 ( 3.407 -0.927 1.336) 3.775 7.806 ( 3.390 -1.973 0.469) 3.950 7.840 ( -0.808 -1.647 0.649) 1.946 7.875 ( 0.688 -1.206 0.421) 1.451 7.897 ( 4.042 -1.076 -0.027) 4.182 7.905 ( 3.411 0.392 1.888) 3.919 7.925 ( 1.270 -0.756 0.216) 1.494 7.982 ( 3.189 0.648 -0.131) 3.257 8.009 ( 0.780 1.861 0.814) 2.175 8.015 ( 2.101 -3.941 0.923) 4.560 8.064 ( 0.044 -3.879 0.676) 3.938 8.169 ( -3.585 -0.007 0.160) 3.588 8.195 ( -3.517 -2.571 -1.954) 4.774 8.363 ( 0.367 7.116 1.123) 7.213 8.459 ( 0.374 4.472 -0.806) 4.559 8.481 ( -1.557 -3.092 1.128) 3.641 8.538 ( 0.327 -2.380 -0.563) 2.467 8.628 ( 3.483 2.157 3.274) 5.244 8.659 ( 2.341 -0.906 1.390) 2.870 8.681 ( 1.858 4.366 2.932) 5.578 8.755 ( 1.278 -3.541 1.864) 4.201 8.960 ( 0.490 1.565 -2.547) 3.029 9.010 ( -1.154 -0.537 -1.338) 1.847 9.025 ( 1.248 -2.190 -2.082) 3.269 9.035 ( 0.396 -4.188 -1.659) 4.523 9.148 ( -2.760 3.007 -0.799) 4.159 9.190 ( -1.544 -2.002 1.157) 2.780 9.206 ( -4.002 9.872 -1.339) 10.736 9.340 ( -1.830 -4.921 -3.098) 6.096 9.402 ( 0.570 2.161 -0.247) 2.249 9.422 ( 0.515 0.460 -1.047) 1.254 9.469 ( 0.485 1.064 1.761) 2.114 9.502 ( -0.708 0.026 1.536) 1.692 9.533 ( -0.629 -1.776 0.108) 1.887 9.537 ( 0.453 -0.768 3.062) 3.189 9.624 ( 2.822 2.383 2.843) 4.661 9.652 ( 0.246 0.144 1.279) 1.310 9.718 ( 6.066 1.761 -2.776) 6.900 9.748 ( 4.401 -0.726 -1.724) 4.782 9.779 ( 0.731 4.967 2.646) 5.675 9.835 ( 1.530 -1.839 1.434) 2.789 9.913 ( 0.790 -4.353 3.768) 5.811 9.921 ( 1.193 -2.019 1.691) 2.892 9.979 ( 3.417 -0.280 -3.975) 5.249 10.003 ( 0.042 -4.666 -3.327) 5.731 10.234 ( 0.839 4.461 6.110) 7.611 10.313 ( 2.287 -4.213 4.966) 6.902 10.400 ( 0.950 2.590 -0.589) 2.821 10.447 ( 1.618 -2.430 1.266) 3.182 10.661 ( 0.075 3.530 -3.133) 4.720 10.716 ( -4.655 -2.083 -3.103) 5.970 10.751 ( -5.816 0.501 -1.319) 5.985 10.781 ( -3.999 -2.348 -2.065) 5.076 10.895 ( -8.404 8.600 5.473) 13.212 11.032 ( -6.006 -3.093 0.992) 6.828 11.068 ( -5.871 -0.371 1.675) 6.116 11.121 ( -5.683 -2.897 1.918) 6.661 11.357 ( -12.643 2.297 -0.908) 12.882 11.390 ( -13.343 -1.277 -1.560) 13.495 11.451 ( -9.910 1.999 -5.028) 11.291 11.492 ( -10.414 -2.147 -5.707) 12.067 15.684 ( 0.917 0.989 4.535) 4.732 15.708 ( -0.562 -1.458 6.471) 6.657 15.826 ( 1.420 3.962 0.080) 4.210 15.889 ( -1.971 -0.425 0.617) 2.109 15.900 ( -1.718 -1.905 0.137) 2.569 15.923 ( 0.068 -4.724 0.050) 4.724 16.053 ( 2.005 1.144 -5.688) 6.139 16.069 ( 2.540 -0.517 -5.371) 5.964 16.254 ( 1.558 4.467 2.113) 5.182 16.310 ( -1.199 2.670 3.518) 4.577 16.330 ( -0.525 -0.422 4.196) 4.249 16.399 ( 1.551 -3.457 2.725) 4.667 16.772 ( -0.543 1.166 -0.154) 1.295 16.784 ( 0.852 0.394 -0.207) 0.961 16.833 ( 0.718 -0.084 0.289) 0.779 16.836 ( 0.569 -0.429 -0.444) 0.840 16.931 ( -3.934 0.128 -0.108) 3.938 16.946 ( -5.613 -1.406 -0.743) 5.834 17.003 ( 0.039 0.796 -3.165) 3.264 17.018 ( 0.650 -0.601 -2.478) 2.631 17.306 ( -12.909 1.271 3.107) 13.338 17.331 ( -13.286 -1.213 3.155) 13.709 17.612 ( -12.253 0.649 -3.780) 12.839 17.626 ( -12.446 -0.803 -4.721) 13.335 18.094 ( 0.379 0.727 -0.637) 1.038 18.100 ( -0.182 0.093 -0.473) 0.515 18.115 ( -0.002 0.040 -0.599) 0.601 18.127 ( -0.218 -1.084 -0.859) 1.400 18.184 ( 0.879 0.138 1.388) 1.648 18.188 ( 0.900 -0.401 1.301) 1.632 18.258 ( -0.132 2.917 -1.087) 3.116 18.315 ( -0.728 -3.040 -3.452) 4.657 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 13.666 4.979 7.037) 16.158 1.570 ( 10.420 -14.536 1.843) 17.980 1.668 ( 8.362 2.441 15.038) 17.379 1.756 ( 3.025 -5.150 1.854) 6.254 1.820 ( 5.499 0.547 4.759) 7.293 1.918 ( 9.161 -7.591 7.635) 14.137 2.091 ( 5.737 13.309 6.471) 15.872 2.205 ( 5.264 6.697 1.110) 8.590 2.246 ( 6.354 1.807 -0.007) 6.606 2.290 ( 1.025 9.139 -0.938) 9.244 2.310 ( -2.260 -6.193 3.351) 7.395 2.397 ( 2.541 -1.925 1.990) 3.758 2.459 ( 0.011 1.958 2.769) 3.392 2.541 ( -2.965 -3.297 0.958) 4.536 2.559 ( -0.635 1.871 -0.744) 2.111 2.575 ( 4.147 2.406 0.060) 4.795 2.619 ( 0.009 -0.443 -2.083) 2.130 2.677 ( 2.532 -5.020 -3.229) 6.484 2.766 ( 0.854 4.565 1.181) 4.792 2.791 ( 0.611 1.579 1.847) 2.506 2.844 ( -0.698 2.446 2.464) 3.542 2.868 ( 4.191 3.233 2.716) 5.950 2.902 ( -3.686 -0.444 7.571) 8.433 2.951 ( -1.119 -0.713 1.633) 2.104 3.014 ( -5.232 -4.869 2.452) 7.556 3.034 ( -3.715 -3.149 -5.528) 7.367 3.064 ( -0.249 1.741 1.253) 2.160 3.093 ( -0.196 -0.755 0.548) 0.954 3.151 ( -5.902 -2.578 -0.026) 6.440 3.168 ( -0.347 -0.831 -3.761) 3.867 3.259 ( -7.609 -0.795 -0.555) 7.670 3.285 ( 0.787 -1.488 3.905) 4.252 3.328 ( 0.359 -0.726 -3.476) 3.569 3.365 ( 5.148 0.490 -1.906) 5.512 3.411 ( -3.036 1.240 0.466) 3.313 3.482 ( -1.905 0.955 -2.380) 3.195 3.523 ( 3.577 0.610 -3.014) 4.717 3.558 ( -1.917 0.265 -1.208) 2.281 3.571 ( -0.667 -0.844 -2.619) 2.831 3.604 ( 0.486 -4.725 1.660) 5.031 3.720 ( 2.064 7.071 3.731) 8.257 3.780 ( 3.297 4.691 3.018) 6.479 3.812 ( 3.571 2.234 -0.821) 4.292 3.862 ( -0.493 -1.941 2.403) 3.128 3.876 ( 6.681 -4.051 -0.433) 7.825 3.944 ( -1.908 -4.700 -1.308) 5.238 3.958 ( 4.667 -7.207 0.867) 8.630 3.987 ( 0.045 -6.148 0.599) 6.177 4.056 ( -0.277 3.038 -0.691) 3.127 4.104 ( -1.815 2.112 -3.536) 4.501 4.130 ( -1.028 -0.582 -1.431) 1.855 4.152 ( -3.125 -0.141 -1.699) 3.559 4.185 ( -6.390 2.782 -1.575) 7.145 4.203 ( -2.398 1.307 -2.232) 3.527 4.219 ( -1.583 0.983 -4.155) 4.554 4.269 ( 1.100 -4.854 -0.376) 4.991 4.382 ( 0.515 0.967 -2.007) 2.286 4.405 ( 2.486 -1.422 -2.905) 4.080 4.421 ( -3.502 6.680 0.165) 7.544 4.445 ( 0.083 3.494 -1.116) 3.669 4.495 ( -0.699 2.241 1.763) 2.936 4.540 ( -0.502 1.449 4.681) 4.925 4.574 ( 1.162 -2.206 -1.667) 2.999 4.585 ( 0.040 -6.896 1.435) 7.044 4.641 ( 0.809 1.801 1.120) 2.270 4.663 ( 4.161 1.512 -2.659) 5.165 4.719 ( 1.630 -1.314 -1.573) 2.619 4.739 ( 1.599 -1.547 0.487) 2.277 4.751 ( 2.261 -0.917 0.066) 2.441 4.776 ( -0.098 -1.680 -2.714) 3.193 4.846 ( -0.311 3.492 -1.058) 3.662 4.934 ( -1.926 -4.760 -3.787) 6.381 4.982 ( -2.351 8.332 0.489) 8.672 5.035 ( 0.333 1.107 -3.468) 3.655 5.053 ( -0.608 -0.728 -4.789) 4.882 5.098 ( 1.869 2.324 1.618) 3.393 5.121 ( -3.810 -5.173 1.700) 6.646 5.139 ( 0.130 2.911 -1.902) 3.480 5.198 ( 0.369 2.718 -0.890) 2.883 5.233 ( 2.548 1.860 3.727) 4.883 5.281 ( -2.913 0.945 0.969) 3.212 5.289 ( 1.490 2.824 3.436) 4.690 5.316 ( -3.242 2.515 1.139) 4.258 5.340 ( -3.318 -2.459 0.824) 4.211 5.355 ( -2.223 -2.497 1.397) 3.623 5.407 ( 2.014 -4.295 2.353) 5.296 5.464 ( -3.373 0.013 1.415) 3.658 5.515 ( -1.538 -2.910 -1.692) 3.700 5.615 ( -0.083 -3.391 0.628) 3.450 5.632 ( 3.551 -2.955 0.597) 4.658 5.721 ( 4.000 4.987 2.542) 6.880 5.760 ( 2.506 4.036 0.077) 4.751 5.795 ( -2.576 1.039 -1.262) 3.051 5.863 ( 1.352 2.779 -3.253) 4.487 5.899 ( -3.991 -2.378 -2.834) 5.442 5.908 ( -2.826 1.141 3.868) 4.924 5.941 ( 2.154 -3.438 -3.340) 5.255 6.010 ( -3.585 -1.451 3.218) 5.031 6.024 ( -0.869 -0.833 0.668) 1.377 6.034 ( -0.424 -2.268 -0.792) 2.440 6.092 ( 1.482 2.274 1.101) 2.929 6.116 ( -1.697 -0.818 -0.987) 2.127 6.129 ( -2.867 4.578 3.589) 6.485 6.208 ( -0.608 -0.137 2.668) 2.740 6.241 ( -2.470 -0.460 -0.580) 2.579 6.271 ( 0.306 -2.168 -1.333) 2.563 6.292 ( -2.359 0.229 -0.556) 2.435 6.342 ( -0.773 -1.200 0.696) 1.588 6.350 ( 4.230 1.573 -0.350) 4.527 6.393 ( 2.815 0.590 0.353) 2.898 6.412 ( 1.347 -3.251 2.628) 4.392 6.438 ( 0.324 -3.048 -0.434) 3.096 6.516 ( -3.231 4.294 1.717) 5.642 6.598 ( -0.608 -2.287 -1.671) 2.897 6.636 ( -4.830 3.318 -1.669) 6.093 6.656 ( 0.833 1.831 -1.431) 2.469 6.703 ( -0.930 -1.408 -1.909) 2.548 6.743 ( 0.779 -4.352 -1.487) 4.665 6.792 ( -3.347 0.684 -2.330) 4.135 6.811 ( -2.286 -0.180 -3.441) 4.135 6.867 ( -0.590 1.372 -1.798) 2.337 6.885 ( -1.337 1.380 -1.317) 2.330 6.917 ( 0.324 -1.964 -0.324) 2.016 6.944 ( 0.866 1.623 -0.693) 1.966 6.967 ( -0.311 -1.591 -0.461) 1.686 6.985 ( 1.643 -1.745 -2.380) 3.378 7.049 ( -2.534 2.058 1.213) 3.483 7.104 ( -0.942 -2.004 2.151) 3.087 7.159 ( 0.269 2.221 -2.330) 3.230 7.191 ( 3.230 -0.445 0.635) 3.322 7.205 ( 0.255 1.019 -0.070) 1.053 7.218 ( 1.402 -0.339 1.962) 2.435 7.253 ( 0.848 -0.025 -1.922) 2.101 7.272 ( 0.592 -0.872 -2.363) 2.587 7.298 ( 0.425 0.680 0.056) 0.804 7.336 ( 1.358 -2.792 -2.156) 3.780 7.396 ( 0.399 1.943 0.293) 2.005 7.427 ( 2.015 -0.637 1.278) 2.470 7.452 ( 2.970 4.550 -0.754) 5.485 7.497 ( -1.673 -0.652 -0.516) 1.868 7.557 ( -0.497 0.628 -1.483) 1.686 7.560 ( 0.603 1.005 -1.836) 2.178 7.572 ( 0.095 -0.513 -1.100) 1.217 7.581 ( -0.616 -0.712 -2.794) 2.948 7.654 ( 0.288 5.849 2.891) 6.531 7.737 ( -3.340 6.981 0.741) 7.774 7.766 ( 0.999 -3.254 -1.084) 3.572 7.793 ( 0.607 0.949 -1.276) 1.702 7.836 ( -1.630 -0.338 1.223) 2.065 7.849 ( 2.312 -3.703 0.473) 4.391 7.924 ( 4.341 -1.682 1.716) 4.962 7.944 ( -1.185 -4.590 -0.002) 4.741 7.977 ( 3.727 -2.566 3.682) 5.834 7.993 ( 3.490 -1.696 0.442) 3.905 8.034 ( 2.488 0.035 0.246) 2.500 8.043 ( 2.273 0.856 0.773) 2.549 8.055 ( 0.966 -1.956 0.189) 2.190 8.080 ( 0.786 -3.065 0.085) 3.165 8.126 ( -1.074 0.821 -1.146) 1.772 8.143 ( -1.673 -0.942 -1.186) 2.257 8.414 ( 3.409 2.494 0.912) 4.321 8.466 ( 3.228 -1.442 1.763) 3.950 8.513 ( 2.300 7.036 -0.583) 7.426 8.559 ( 0.201 3.493 -0.510) 3.536 8.672 ( 1.964 0.098 0.386) 2.003 8.685 ( 1.089 0.958 0.622) 1.578 8.734 ( 0.016 -3.032 2.620) 4.008 8.762 ( 0.758 -3.067 2.970) 4.336 8.961 ( -0.606 2.186 -1.307) 2.618 8.970 ( -1.591 3.111 -1.665) 3.871 9.021 ( -1.944 -1.099 -1.341) 2.605 9.035 ( -1.165 0.854 -2.208) 2.638 9.100 ( -0.217 1.566 -0.273) 1.604 9.126 ( -2.422 3.223 -0.628) 4.080 9.149 ( -2.260 -2.966 0.082) 3.730 9.250 ( -5.769 -5.828 -4.003) 9.125 9.416 ( 1.225 1.818 0.118) 2.196 9.447 ( 1.503 -1.063 0.108) 1.844 9.483 ( 0.541 -0.124 1.503) 1.602 9.503 ( 1.021 -2.371 3.187) 4.101 9.529 ( 0.253 0.731 -1.031) 1.288 9.549 ( -0.184 -1.643 2.857) 3.301 9.622 ( -2.608 1.302 1.222) 3.161 9.649 ( -1.235 -0.557 2.602) 2.934 9.812 ( 3.912 4.407 0.058) 5.894 9.840 ( 4.253 3.892 0.335) 5.775 9.865 ( 3.228 4.117 2.578) 5.832 9.900 ( 4.379 -3.123 0.396) 5.393 9.955 ( 6.536 -5.652 3.059) 9.166 9.972 ( 3.675 -3.923 3.656) 6.501 10.062 ( 3.783 -0.246 -1.108) 3.950 10.079 ( 5.579 -1.032 -1.334) 5.828 10.228 ( -0.867 6.099 7.420) 9.644 10.329 ( -1.600 -4.496 6.601) 8.145 10.431 ( 0.551 1.469 -2.736) 3.154 10.462 ( -0.726 -2.240 -1.391) 2.735 10.531 ( -8.071 0.275 -0.077) 8.076 10.541 ( -7.679 -0.605 -0.163) 7.704 10.663 ( -6.292 6.903 -0.358) 9.347 10.762 ( -3.494 -3.526 -3.711) 6.198 10.827 ( 4.523 1.653 0.600) 4.853 10.881 ( -2.410 -3.839 2.790) 5.323 10.990 ( -2.106 2.148 -0.530) 3.054 11.023 ( -3.567 -1.197 -0.108) 3.764 11.105 ( -9.933 1.443 -1.302) 10.121 11.131 ( -10.536 -1.218 -1.773) 10.754 11.217 ( -11.502 2.063 -3.796) 12.287 11.253 ( -11.898 -1.758 -5.278) 13.134 15.720 ( 2.384 0.223 2.833) 3.710 15.728 ( 2.014 -0.509 3.664) 4.212 15.840 ( -2.692 -0.351 1.589) 3.145 15.845 ( -2.876 -0.859 1.284) 3.264 15.875 ( 2.998 3.776 -0.993) 4.923 15.952 ( 2.133 -4.184 -1.661) 4.982 16.034 ( -3.386 2.049 -4.622) 6.085 16.065 ( -2.143 -1.009 -4.673) 5.239 16.338 ( 6.102 1.315 2.112) 6.590 16.363 ( 6.079 -0.738 3.632) 7.120 16.410 ( 7.276 4.249 0.115) 8.427 16.488 ( 6.574 -3.647 0.344) 7.526 16.682 ( -7.582 1.267 1.212) 7.782 16.721 ( -7.124 -1.362 1.075) 7.333 16.824 ( -5.993 0.355 -0.888) 6.068 16.847 ( -0.946 -0.930 -0.962) 1.638 16.858 ( 0.272 0.353 0.486) 0.659 16.871 ( -0.889 -0.909 0.282) 1.303 16.956 ( -4.982 1.092 -3.140) 5.990 16.970 ( -7.091 -0.264 -2.679) 7.585 17.129 ( -1.180 0.347 3.222) 3.449 17.134 ( -1.484 -0.065 3.154) 3.486 17.368 ( -10.306 0.407 -2.807) 10.689 17.378 ( -10.471 -0.617 -3.163) 10.955 18.095 ( -0.175 0.768 0.313) 0.847 18.097 ( -0.091 0.652 0.241) 0.700 18.114 ( -0.054 -0.641 -0.025) 0.643 18.121 ( -0.312 -1.208 -0.016) 1.248 18.201 ( 0.884 0.465 0.482) 1.109 18.209 ( 1.263 -0.408 0.192) 1.341 18.248 ( -0.951 2.100 -0.725) 2.417 18.286 ( -1.925 -1.861 -1.815) 3.235 ======================= Grid point 40 (20/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -8.560 1.979 5.082) 10.150 1.617 ( 8.560 1.979 5.082) 10.150 1.741 ( -4.910 -11.061 2.001) 12.267 1.741 ( 4.910 -11.061 2.001) 12.267 2.033 ( -10.279 7.296 10.768) 16.579 2.033 ( 10.279 7.296 10.768) 16.579 2.140 ( -9.943 -2.838 5.495) 11.709 2.140 ( 9.943 -2.838 5.495) 11.709 2.299 ( -1.469 6.654 1.646) 7.010 2.299 ( 1.469 6.654 1.646) 7.010 2.349 ( -3.313 2.493 -2.456) 4.819 2.349 ( 3.313 2.493 -2.456) 4.819 2.527 ( -2.821 -0.186 1.153) 3.054 2.527 ( 2.821 -0.186 1.153) 3.054 2.566 ( -5.968 -3.748 1.008) 7.119 2.566 ( 5.968 -3.748 1.008) 7.119 2.673 ( -5.863 4.197 0.988) 7.278 2.673 ( 5.863 4.197 0.988) 7.278 2.772 ( -6.397 -5.227 -0.289) 8.266 2.772 ( 6.397 -5.227 -0.289) 8.266 2.894 ( -3.012 1.813 4.152) 5.440 2.894 ( 3.012 1.813 4.152) 5.440 2.936 ( -2.502 -0.539 -0.175) 2.565 2.936 ( 2.502 -0.539 -0.175) 2.565 2.955 ( -3.639 0.183 0.093) 3.645 2.955 ( 3.639 0.183 0.093) 3.645 3.007 ( -2.532 -3.697 0.033) 4.481 3.007 ( 2.532 -3.697 0.033) 4.481 3.131 ( -2.265 3.419 0.217) 4.107 3.131 ( 2.265 3.419 0.217) 4.107 3.216 ( -5.998 -5.853 -0.945) 8.433 3.216 ( 5.998 -5.853 -0.945) 8.433 3.415 ( -5.231 6.598 -0.982) 8.477 3.415 ( 5.231 6.598 -0.982) 8.477 3.438 ( -2.228 5.593 -1.790) 6.281 3.438 ( 2.228 5.593 -1.790) 6.281 3.508 ( -1.812 -1.114 -1.449) 2.574 3.508 ( 1.812 -1.114 -1.449) 2.574 3.585 ( -1.348 -7.591 -2.374) 8.068 3.585 ( 1.348 -7.591 -2.374) 8.068 3.800 ( -3.058 8.877 4.251) 10.307 3.800 ( 3.058 8.877 4.251) 10.307 3.879 ( -1.605 1.063 -1.020) 2.178 3.879 ( 1.605 1.063 -1.020) 2.178 3.971 ( -3.178 -2.627 -1.358) 4.341 3.971 ( 3.178 -2.627 -1.358) 4.341 4.015 ( -1.887 -1.309 -2.526) 3.414 4.015 ( 1.887 -1.309 -2.526) 3.414 4.042 ( -2.679 -1.787 -1.147) 3.419 4.042 ( 2.679 -1.787 -1.147) 3.419 4.078 ( -3.085 -5.884 1.593) 6.832 4.078 ( 3.085 -5.884 1.593) 6.832 4.158 ( -1.877 3.310 -1.415) 4.060 4.158 ( 1.877 3.310 -1.415) 4.060 4.229 ( -3.986 -2.466 -2.240) 5.195 4.229 ( 3.986 -2.466 -2.240) 5.195 4.383 ( -0.482 2.880 -0.028) 2.920 4.383 ( 0.482 2.880 -0.028) 2.920 4.450 ( -1.763 -1.102 0.181) 2.087 4.450 ( 1.763 -1.102 0.181) 2.087 4.503 ( -2.471 1.498 1.618) 3.312 4.503 ( 2.471 1.498 1.618) 3.312 4.576 ( -0.167 -4.624 1.193) 4.778 4.576 ( 0.167 -4.624 1.193) 4.778 4.702 ( -2.662 0.404 -1.596) 3.130 4.702 ( 2.662 0.404 -1.596) 3.130 4.727 ( -0.466 -1.888 -3.784) 4.254 4.727 ( 0.466 -1.888 -3.784) 4.254 4.808 ( -3.764 2.209 0.664) 4.414 4.808 ( 3.764 2.209 0.664) 4.414 4.832 ( -3.475 1.227 1.263) 3.896 4.832 ( 3.475 1.227 1.263) 3.896 5.011 ( -3.242 -0.309 -3.519) 4.795 5.011 ( 3.242 -0.309 -3.519) 4.795 5.049 ( -0.287 -3.054 -4.149) 5.160 5.049 ( 0.287 -3.054 -4.149) 5.160 5.176 ( -2.574 2.911 2.219) 4.475 5.176 ( 2.574 2.911 2.219) 4.475 5.214 ( -1.942 0.565 -0.029) 2.023 5.214 ( 1.942 0.565 -0.029) 2.023 5.253 ( -0.954 4.300 2.670) 5.151 5.253 ( 0.954 4.300 2.670) 5.151 5.295 ( -2.092 0.022 2.222) 3.052 5.295 ( 2.092 0.022 2.222) 3.052 5.389 ( -3.597 0.220 1.799) 4.028 5.389 ( 3.597 0.220 1.799) 4.028 5.466 ( -2.901 -5.581 1.306) 6.425 5.466 ( 2.901 -5.581 1.306) 6.425 5.650 ( -3.198 3.876 -0.373) 5.039 5.650 ( 3.198 3.876 -0.373) 5.039 5.739 ( -2.649 -3.381 -1.793) 4.655 5.739 ( 2.649 -3.381 -1.793) 4.655 5.837 ( -0.197 3.177 0.799) 3.282 5.837 ( 0.197 3.177 0.799) 3.282 5.890 ( -0.965 -1.680 2.576) 3.223 5.890 ( 0.965 -1.680 2.576) 3.223 5.954 ( -0.894 3.232 1.153) 3.546 5.954 ( 0.894 3.232 1.153) 3.546 6.034 ( -1.792 -4.266 0.375) 4.643 6.034 ( 1.793 -4.266 0.375) 4.643 6.076 ( -0.459 5.040 1.263) 5.217 6.076 ( 0.459 5.040 1.263) 5.217 6.162 ( -3.128 -2.257 2.206) 4.443 6.162 ( 3.128 -2.257 2.206) 4.443 6.243 ( -1.719 1.249 -1.392) 2.540 6.243 ( 1.719 1.249 -1.392) 2.540 6.321 ( -1.708 -4.836 -1.094) 5.244 6.321 ( 1.708 -4.836 -1.094) 5.244 6.418 ( -3.323 2.469 0.213) 4.146 6.418 ( 3.323 2.469 0.213) 4.146 6.466 ( -5.620 -0.091 -0.215) 5.625 6.466 ( 5.620 -0.091 -0.215) 5.625 6.527 ( -5.061 0.996 -3.105) 6.020 6.527 ( 5.061 0.996 -3.105) 6.020 6.579 ( -5.999 -2.134 -2.570) 6.867 6.579 ( 5.999 -2.134 -2.570) 6.867 6.722 ( -2.195 1.845 -2.123) 3.568 6.722 ( 2.195 1.845 -2.123) 3.568 6.773 ( -1.778 -3.554 -2.076) 4.483 6.773 ( 1.778 -3.554 -2.076) 4.483 6.867 ( -0.625 3.337 -1.673) 3.785 6.867 ( 0.625 3.337 -1.673) 3.785 6.939 ( -1.413 -4.327 -0.826) 4.626 6.939 ( 1.413 -4.327 -0.826) 4.626 6.974 ( -2.240 5.247 0.853) 5.769 6.974 ( 2.240 5.247 0.853) 5.769 7.056 ( -3.113 -3.226 -0.709) 4.539 7.056 ( 3.113 -3.226 -0.709) 4.539 7.181 ( -1.309 3.096 -0.483) 3.396 7.181 ( 1.309 3.096 -0.483) 3.396 7.241 ( -1.357 -3.217 0.998) 3.631 7.241 ( 1.357 -3.217 0.998) 3.631 7.285 ( -0.958 2.822 -1.391) 3.289 7.285 ( 0.958 2.822 -1.391) 3.289 7.333 ( -1.756 -2.272 -1.235) 3.126 7.333 ( 1.756 -2.272 -1.235) 3.126 7.409 ( -2.714 2.960 1.300) 4.221 7.409 ( 2.714 2.960 1.300) 4.221 7.472 ( -1.812 -3.677 1.791) 4.473 7.472 ( 1.812 -3.677 1.791) 4.473 7.548 ( -1.051 1.928 -2.919) 3.653 7.548 ( 1.051 1.928 -2.919) 3.653 7.588 ( -1.910 -1.666 -1.567) 2.980 7.588 ( 1.910 -1.666 -1.567) 2.980 7.674 ( -2.109 6.944 1.587) 7.429 7.674 ( 2.109 6.944 1.587) 7.429 7.765 ( -1.732 1.755 -0.081) 2.467 7.765 ( 1.732 1.755 -0.081) 2.467 7.876 ( -3.686 -4.346 -1.049) 5.794 7.876 ( 3.686 -4.346 -1.049) 5.794 7.936 ( -3.533 -5.501 -2.169) 6.888 7.936 ( 3.533 -5.501 -2.169) 6.888 8.038 ( -2.186 0.197 2.692) 3.473 8.038 ( 2.186 0.197 2.692) 3.473 8.055 ( -1.676 -1.236 1.382) 2.499 8.055 ( 1.676 -1.236 1.382) 2.499 8.096 ( -1.000 0.742 -0.658) 1.408 8.096 ( 1.000 0.742 -0.658) 1.408 8.105 ( -1.646 -0.208 -0.487) 1.729 8.105 ( 1.646 -0.208 -0.487) 1.729 8.483 ( -3.656 6.670 1.339) 7.723 8.483 ( 3.656 6.670 1.339) 7.723 8.571 ( -2.298 0.073 0.399) 2.333 8.571 ( 2.298 0.073 0.399) 2.333 8.670 ( -1.758 1.247 0.946) 2.353 8.670 ( 1.758 1.247 0.946) 2.353 8.762 ( -2.421 -6.267 0.262) 6.723 8.762 ( 2.421 -6.267 0.262) 6.723 8.947 ( -1.056 5.684 -0.039) 5.782 8.947 ( 1.056 5.684 -0.039) 5.782 9.011 ( -1.596 1.718 -1.729) 2.914 9.011 ( 1.596 1.718 -1.729) 2.914 9.101 ( -0.999 -1.669 -0.387) 1.984 9.101 ( 0.999 -1.669 -0.387) 1.984 9.148 ( -3.079 -3.817 -2.746) 5.620 9.148 ( 3.079 -3.817 -2.746) 5.620 9.450 ( -1.634 1.350 1.339) 2.507 9.450 ( 1.634 1.350 1.339) 2.507 9.499 ( -1.751 -3.813 2.373) 4.821 9.499 ( 1.751 -3.813 2.373) 4.821 9.556 ( -1.546 0.865 -0.529) 1.849 9.556 ( 1.547 0.865 -0.529) 1.849 9.589 ( -2.747 -2.696 2.352) 4.511 9.589 ( 2.747 -2.696 2.352) 4.511 9.871 ( -1.327 5.868 1.191) 6.133 9.871 ( 1.327 5.868 1.191) 6.133 9.938 ( -2.552 3.648 1.132) 4.594 9.938 ( 2.552 3.648 1.132) 4.594 10.049 ( -3.587 -1.420 4.137) 5.656 10.049 ( 3.587 -1.420 4.137) 5.656 10.132 ( -5.458 -5.892 2.648) 8.457 10.132 ( 5.458 -5.892 2.648) 8.457 10.300 ( -4.591 1.132 2.044) 5.151 10.300 ( 4.591 1.132 2.044) 5.151 10.309 ( -2.555 0.257 2.741) 3.756 10.309 ( 2.555 0.257 2.741) 3.756 10.546 ( -3.517 2.888 -0.579) 4.587 10.546 ( 3.517 2.888 -0.579) 4.587 10.598 ( -7.863 -2.454 -1.560) 8.383 10.598 ( 7.863 -2.454 -1.560) 8.383 10.964 ( -5.527 -0.343 -1.602) 5.764 10.964 ( 5.527 -0.343 -1.602) 5.764 10.967 ( -4.120 -0.575 -1.592) 4.454 10.967 ( 4.120 -0.575 -1.592) 4.454 11.016 ( -4.916 0.978 -2.273) 5.504 11.016 ( 4.916 0.978 -2.273) 5.504 11.025 ( -7.679 -0.049 -2.968) 8.232 11.025 ( 7.679 -0.049 -2.968) 8.232 15.774 ( -0.784 0.329 1.878) 2.062 15.774 ( 0.784 0.329 1.878) 2.062 15.787 ( -0.725 -1.003 2.536) 2.822 15.787 ( 0.725 -1.003 2.536) 2.822 15.949 ( -3.864 3.267 -2.438) 5.616 15.949 ( 3.864 3.267 -2.438) 5.616 16.009 ( -2.770 -2.836 -2.784) 4.844 16.009 ( 2.770 -2.836 -2.784) 4.844 16.487 ( -6.635 1.655 0.704) 6.874 16.487 ( 6.635 1.655 0.704) 6.874 16.523 ( -6.156 -0.846 0.177) 6.217 16.523 ( 6.156 -0.846 0.177) 6.217 16.633 ( -8.107 1.449 0.638) 8.260 16.633 ( 8.107 1.449 0.638) 8.260 16.683 ( -10.232 -2.801 -0.406) 10.616 16.683 ( 10.232 -2.801 -0.406) 10.616 16.886 ( -1.445 0.706 0.501) 1.684 16.886 ( 1.445 0.706 0.501) 1.684 16.892 ( -1.694 0.210 0.352) 1.743 16.892 ( 1.694 0.210 0.352) 1.743 17.195 ( -6.070 0.276 -0.946) 6.150 17.195 ( 6.070 0.276 -0.946) 6.150 17.202 ( -6.241 -0.419 -1.115) 6.353 17.202 ( 6.241 -0.419 -1.115) 6.353 18.094 ( -0.117 0.959 0.704) 1.195 18.094 ( 0.117 0.959 0.704) 1.195 18.115 ( -0.205 -1.226 0.246) 1.267 18.115 ( 0.205 -1.226 0.246) 1.267 18.223 ( -1.171 1.193 -0.320) 1.702 18.223 ( 1.171 1.193 -0.320) 1.702 18.243 ( -1.897 -0.945 -0.842) 2.280 18.243 ( 1.897 -0.945 -0.842) 2.280 ======================= Grid point 54 (21/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 0.000 23.348) 23.348 1.069 ( 0.000 0.000 25.898) 25.898 1.386 ( 0.000 0.000 -17.154) 17.154 1.521 ( 0.000 0.000 -21.250) 21.250 1.881 ( 0.000 0.000 15.170) 15.170 1.881 ( 0.000 0.000 20.547) 20.547 1.912 ( 0.000 0.000 8.722) 8.722 1.955 ( 0.000 0.000 10.372) 10.372 2.002 ( 0.000 0.000 19.787) 19.787 2.120 ( 0.000 0.000 -7.263) 7.263 2.137 ( 0.000 0.000 10.291) 10.291 2.270 ( 0.000 0.000 1.904) 1.904 2.407 ( 0.000 0.000 0.044) 0.044 2.454 ( 0.000 0.000 -14.151) 14.151 2.457 ( 0.000 0.000 -12.609) 12.609 2.564 ( 0.000 0.000 7.233) 7.233 2.618 ( 0.000 0.000 4.527) 4.527 2.725 ( 0.000 0.000 3.385) 3.385 2.756 ( 0.000 0.000 -15.318) 15.318 2.816 ( 0.000 0.000 4.286) 4.286 2.854 ( 0.000 0.000 -6.446) 6.446 2.908 ( 0.000 0.000 -5.842) 5.842 2.958 ( 0.000 0.000 9.392) 9.392 3.009 ( 0.000 0.000 1.713) 1.713 3.040 ( 0.000 0.000 1.431) 1.431 3.071 ( 0.000 0.000 2.375) 2.375 3.074 ( 0.000 0.000 2.118) 2.118 3.083 ( 0.000 0.000 4.933) 4.933 3.182 ( 0.000 0.000 -2.639) 2.639 3.202 ( 0.000 0.000 -8.223) 8.223 3.236 ( 0.000 0.000 -2.507) 2.507 3.261 ( 0.000 0.000 -2.455) 2.455 3.338 ( 0.000 0.000 -3.302) 3.302 3.373 ( 0.000 0.000 3.083) 3.083 3.385 ( 0.000 0.000 0.502) 0.502 3.393 ( 0.000 0.000 -8.108) 8.108 3.502 ( 0.000 0.000 3.756) 3.756 3.616 ( 0.000 0.000 -1.754) 1.754 3.635 ( 0.000 0.000 0.461) 0.461 3.641 ( 0.000 0.000 4.734) 4.734 3.678 ( 0.000 0.000 -2.242) 2.242 3.691 ( 0.000 0.000 -7.043) 7.043 3.742 ( 0.000 0.000 2.414) 2.414 3.748 ( 0.000 0.000 12.542) 12.542 3.802 ( 0.000 0.000 4.016) 4.016 3.867 ( 0.000 0.000 -0.568) 0.568 3.874 ( 0.000 0.000 -3.290) 3.290 3.885 ( 0.000 0.000 -3.064) 3.064 3.923 ( 0.000 0.000 -9.209) 9.209 4.098 ( 0.000 0.000 0.775) 0.775 4.103 ( 0.000 0.000 0.128) 0.128 4.109 ( 0.000 0.000 -14.864) 14.864 4.184 ( 0.000 0.000 3.640) 3.640 4.198 ( 0.000 0.000 0.663) 0.663 4.242 ( 0.000 0.000 4.944) 4.944 4.260 ( 0.000 0.000 1.149) 1.149 4.353 ( 0.000 0.000 -4.976) 4.976 4.359 ( 0.000 0.000 -5.327) 5.327 4.492 ( 0.000 0.000 7.428) 7.428 4.512 ( 0.000 0.000 0.633) 0.633 4.514 ( 0.000 0.000 6.218) 6.218 4.556 ( 0.000 0.000 8.058) 8.058 4.611 ( 0.000 0.000 0.238) 0.238 4.618 ( 0.000 0.000 -5.392) 5.392 4.641 ( 0.000 0.000 -3.951) 3.951 4.678 ( 0.000 0.000 4.459) 4.459 4.705 ( 0.000 0.000 0.110) 0.110 4.717 ( 0.000 0.000 -4.240) 4.240 4.773 ( 0.000 0.000 -1.922) 1.922 4.786 ( 0.000 0.000 1.725) 1.725 4.827 ( 0.000 0.000 7.234) 7.234 4.834 ( 0.000 0.000 -9.861) 9.861 4.870 ( 0.000 0.000 -4.700) 4.700 4.937 ( 0.000 0.000 -2.626) 2.626 5.089 ( 0.000 0.000 -1.136) 1.136 5.120 ( 0.000 0.000 4.913) 4.913 5.121 ( 0.000 0.000 -1.298) 1.298 5.158 ( 0.000 0.000 0.833) 0.833 5.252 ( 0.000 0.000 6.744) 6.744 5.279 ( 0.000 0.000 0.831) 0.831 5.324 ( 0.000 0.000 -3.340) 3.340 5.330 ( 0.000 0.000 2.163) 2.163 5.365 ( 0.000 0.000 -1.483) 1.483 5.396 ( 0.000 0.000 -4.272) 4.272 5.440 ( 0.000 0.000 -2.658) 2.658 5.482 ( 0.000 0.000 4.644) 4.644 5.531 ( 0.000 0.000 -8.479) 8.479 5.569 ( 0.000 0.000 2.137) 2.137 5.580 ( 0.000 0.000 -10.963) 10.963 5.700 ( 0.000 0.000 -7.809) 7.809 5.793 ( 0.000 0.000 0.157) 0.157 5.808 ( 0.000 0.000 9.304) 9.304 5.813 ( 0.000 0.000 1.596) 1.596 5.887 ( 0.000 0.000 6.749) 6.749 5.955 ( 0.000 0.000 -3.915) 3.915 5.963 ( 0.000 0.000 -2.016) 2.016 6.020 ( 0.000 0.000 2.261) 2.261 6.071 ( 0.000 0.000 5.512) 5.512 6.095 ( 0.000 0.000 5.170) 5.170 6.112 ( 0.000 0.000 -6.387) 6.387 6.159 ( 0.000 0.000 1.836) 1.836 6.213 ( 0.000 0.000 -2.840) 2.840 6.218 ( 0.000 0.000 -6.246) 6.246 6.267 ( 0.000 0.000 -4.037) 4.037 6.285 ( 0.000 0.000 -1.055) 1.055 6.320 ( 0.000 0.000 -1.312) 1.312 6.364 ( 0.000 0.000 2.383) 2.383 6.404 ( 0.000 0.000 -1.158) 1.158 6.454 ( 0.000 0.000 1.738) 1.738 6.528 ( 0.000 0.000 6.059) 6.059 6.532 ( 0.000 0.000 -4.785) 4.785 6.571 ( 0.000 0.000 1.056) 1.056 6.581 ( 0.000 0.000 -1.027) 1.027 6.589 ( 0.000 0.000 1.450) 1.450 6.655 ( 0.000 0.000 0.069) 0.069 6.667 ( 0.000 0.000 0.474) 0.474 6.701 ( 0.000 0.000 5.216) 5.216 6.736 ( 0.000 0.000 0.118) 0.118 6.782 ( 0.000 0.000 -2.901) 2.901 6.800 ( 0.000 0.000 2.065) 2.065 6.801 ( 0.000 0.000 -4.493) 4.493 6.821 ( 0.000 0.000 4.428) 4.428 6.938 ( 0.000 0.000 0.725) 0.725 6.941 ( 0.000 0.000 -1.636) 1.636 6.952 ( 0.000 0.000 -2.354) 2.354 6.965 ( 0.000 0.000 -1.183) 1.183 7.074 ( 0.000 0.000 3.045) 3.045 7.077 ( 0.000 0.000 3.037) 3.037 7.091 ( 0.000 0.000 3.712) 3.712 7.137 ( 0.000 0.000 -1.617) 1.617 7.169 ( 0.000 0.000 4.611) 4.611 7.175 ( 0.000 0.000 -5.955) 5.955 7.196 ( 0.000 0.000 -5.922) 5.922 7.200 ( 0.000 0.000 3.010) 3.010 7.245 ( 0.000 0.000 1.757) 1.757 7.260 ( 0.000 0.000 0.508) 0.508 7.332 ( 0.000 0.000 0.488) 0.488 7.336 ( 0.000 0.000 3.651) 3.651 7.405 ( 0.000 0.000 -8.414) 8.414 7.424 ( 0.000 0.000 -5.071) 5.071 7.452 ( 0.000 0.000 -1.796) 1.796 7.468 ( 0.000 0.000 -2.967) 2.967 7.513 ( 0.000 0.000 5.693) 5.693 7.600 ( 0.000 0.000 12.334) 12.334 7.601 ( 0.000 0.000 -2.760) 2.760 7.675 ( 0.000 0.000 2.993) 2.993 7.705 ( 0.000 0.000 2.490) 2.490 7.716 ( 0.000 0.000 -2.617) 2.617 7.739 ( 0.000 0.000 -1.101) 1.101 7.744 ( 0.000 0.000 2.597) 2.597 7.780 ( 0.000 0.000 -0.651) 0.651 7.808 ( 0.000 0.000 -6.468) 6.468 7.874 ( 0.000 0.000 -0.094) 0.094 7.916 ( 0.000 0.000 -5.716) 5.716 7.921 ( 0.000 0.000 1.954) 1.954 7.962 ( 0.000 0.000 -1.810) 1.810 8.142 ( 0.000 0.000 7.227) 7.227 8.211 ( 0.000 0.000 3.339) 3.339 8.238 ( 0.000 0.000 -0.096) 0.096 8.274 ( 0.000 0.000 -6.421) 6.421 8.385 ( 0.000 0.000 1.354) 1.354 8.430 ( 0.000 0.000 -2.464) 2.464 8.533 ( 0.000 0.000 4.872) 4.872 8.585 ( 0.000 0.000 1.602) 1.602 8.591 ( 0.000 0.000 -1.159) 1.159 8.618 ( 0.000 0.000 -1.782) 1.782 8.643 ( 0.000 0.000 5.631) 5.631 8.717 ( 0.000 0.000 -1.017) 1.017 8.938 ( 0.000 0.000 -1.130) 1.130 8.962 ( 0.000 0.000 -2.964) 2.964 8.992 ( 0.000 0.000 1.027) 1.027 9.033 ( 0.000 0.000 -2.157) 2.157 9.103 ( 0.000 0.000 -0.081) 0.081 9.104 ( 0.000 0.000 -0.034) 0.034 9.310 ( 0.000 0.000 1.712) 1.712 9.355 ( 0.000 0.000 -3.004) 3.004 9.376 ( 0.000 0.000 3.614) 3.614 9.450 ( 0.000 0.000 3.744) 3.744 9.455 ( 0.000 0.000 -3.808) 3.808 9.502 ( 0.000 0.000 3.704) 3.704 9.521 ( 0.000 0.000 -3.656) 3.656 9.555 ( 0.000 0.000 0.477) 0.477 9.568 ( 0.000 0.000 -1.087) 1.087 9.573 ( 0.000 0.000 -3.451) 3.451 9.701 ( 0.000 0.000 4.576) 4.576 9.752 ( 0.000 0.000 -0.036) 0.036 9.764 ( 0.000 0.000 1.096) 1.096 9.809 ( 0.000 0.000 -3.918) 3.918 9.816 ( 0.000 0.000 2.066) 2.066 9.869 ( 0.000 0.000 -4.507) 4.507 9.963 ( 0.000 0.000 5.860) 5.860 10.061 ( 0.000 0.000 -4.214) 4.214 10.326 ( 0.000 0.000 5.487) 5.487 10.359 ( 0.000 0.000 4.427) 4.427 10.393 ( 0.000 0.000 -1.273) 1.273 10.443 ( 0.000 0.000 -4.100) 4.100 10.491 ( 0.000 0.000 6.517) 6.517 10.633 ( 0.000 0.000 -8.550) 8.550 10.816 ( 0.000 0.000 0.741) 0.741 10.856 ( 0.000 0.000 -3.144) 3.144 11.131 ( 0.000 0.000 1.897) 1.897 11.156 ( 0.000 0.000 -0.667) 0.667 11.247 ( 0.000 0.000 1.571) 1.571 11.280 ( 0.000 0.000 -1.536) 1.536 11.528 ( 0.000 0.000 6.268) 6.268 11.605 ( 0.000 0.000 -1.782) 1.782 11.773 ( 0.000 0.000 0.013) 0.013 11.785 ( 0.000 0.000 -1.054) 1.054 15.767 ( 0.000 0.000 3.808) 3.808 15.797 ( 0.000 0.000 0.199) 0.199 15.924 ( 0.000 0.000 -0.099) 0.099 15.929 ( 0.000 0.000 -0.451) 0.451 15.948 ( 0.000 0.000 0.762) 0.762 15.974 ( 0.000 0.000 -1.716) 1.716 15.979 ( 0.000 0.000 0.019) 0.019 15.990 ( 0.000 0.000 -1.468) 1.468 16.428 ( 0.000 0.000 5.910) 5.910 16.529 ( 0.000 0.000 8.845) 8.845 16.548 ( 0.000 0.000 -5.175) 5.175 16.644 ( 0.000 0.000 -0.676) 0.676 16.723 ( 0.000 0.000 -2.172) 2.172 16.725 ( 0.000 0.000 -4.529) 4.529 16.750 ( 0.000 0.000 4.593) 4.593 16.808 ( 0.000 0.000 -2.352) 2.352 16.846 ( 0.000 0.000 0.122) 0.122 16.892 ( 0.000 0.000 -4.235) 4.235 16.958 ( 0.000 0.000 4.215) 4.215 17.047 ( 0.000 0.000 -5.079) 5.079 17.623 ( 0.000 0.000 0.631) 0.631 17.638 ( 0.000 0.000 -0.841) 0.841 17.851 ( 0.000 0.000 1.254) 1.254 17.885 ( 0.000 0.000 -2.465) 2.465 18.038 ( 0.000 0.000 0.896) 0.896 18.049 ( 0.000 0.000 0.897) 0.897 18.068 ( 0.000 0.000 -2.133) 2.133 18.070 ( 0.000 0.000 -1.367) 1.367 18.210 ( 0.000 0.000 2.135) 2.135 18.214 ( 0.000 0.000 3.403) 3.403 18.240 ( 0.000 0.000 -0.812) 0.812 18.280 ( 0.000 0.000 -3.479) 3.479 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 8.883 0.000 19.676) 21.588 1.165 ( 9.251 0.000 17.581) 19.866 1.489 ( 9.584 0.000 -11.544) 15.004 1.608 ( 7.216 0.000 -18.516) 19.873 1.790 ( -4.051 0.000 9.521) 10.347 1.827 ( -0.514 0.000 20.257) 20.264 1.890 ( -2.006 0.000 3.443) 3.985 2.054 ( -4.529 0.000 -6.452) 7.883 2.113 ( 7.320 0.000 12.638) 14.605 2.119 ( 9.426 0.000 23.890) 25.682 2.182 ( 4.907 0.000 10.438) 11.534 2.324 ( -3.287 0.000 0.049) 3.287 2.325 ( 5.152 0.000 -1.177) 5.285 2.454 ( 0.357 0.000 -10.651) 10.657 2.495 ( 1.891 0.000 -8.993) 9.190 2.610 ( 1.456 0.000 2.771) 3.130 2.632 ( -0.367 0.000 3.645) 3.663 2.669 ( -3.033 0.000 -1.700) 3.477 2.764 ( -0.127 0.000 -8.051) 8.052 2.825 ( 3.611 0.000 3.633) 5.122 2.831 ( -0.411 0.000 -2.611) 2.643 2.886 ( 0.248 0.000 -5.420) 5.425 2.935 ( -1.891 0.000 7.593) 7.825 2.992 ( -2.708 0.000 -0.668) 2.789 3.054 ( -0.846 0.000 -1.283) 1.537 3.054 ( -3.458 0.000 2.823) 4.464 3.144 ( 0.868 0.000 2.785) 2.917 3.148 ( 1.671 0.000 0.322) 1.702 3.161 ( 2.392 0.000 -2.668) 3.583 3.216 ( 1.487 0.000 3.603) 3.897 3.247 ( 2.191 0.000 -4.814) 5.289 3.339 ( 0.887 0.000 -3.666) 3.772 3.341 ( 3.775 0.000 -1.079) 3.926 3.382 ( 1.259 0.000 -8.289) 8.384 3.419 ( 3.257 0.000 -1.214) 3.476 3.433 ( 4.467 0.000 -0.366) 4.482 3.536 ( 2.896 0.000 4.019) 4.954 3.592 ( -1.013 0.000 -2.125) 2.354 3.612 ( -2.402 0.000 7.286) 7.672 3.673 ( 0.875 0.000 0.357) 0.946 3.681 ( 0.207 0.000 -3.619) 3.625 3.682 ( -0.153 0.000 -0.277) 0.317 3.774 ( 2.418 0.000 2.513) 3.487 3.785 ( 2.581 0.000 1.446) 2.958 3.819 ( 1.507 0.000 8.059) 8.199 3.873 ( 1.205 0.000 1.630) 2.027 3.903 ( -0.161 0.000 -7.496) 7.497 3.910 ( 2.974 0.000 -2.204) 3.702 3.953 ( 4.791 0.000 -2.749) 5.524 4.079 ( 0.662 0.000 -4.479) 4.528 4.086 ( -0.506 0.000 0.295) 0.586 4.155 ( -3.885 0.000 0.708) 3.949 4.178 ( 1.795 0.000 -11.456) 11.596 4.184 ( -4.092 0.000 -0.472) 4.119 4.227 ( 2.847 0.000 1.580) 3.256 4.243 ( 1.122 0.000 -2.033) 2.322 4.359 ( -0.555 0.000 1.071) 1.206 4.388 ( 0.076 0.000 -2.122) 2.123 4.420 ( -5.435 0.000 4.797) 7.250 4.507 ( 0.860 0.000 3.178) 3.292 4.517 ( 1.009 0.000 6.264) 6.344 4.565 ( -1.239 0.000 2.892) 3.146 4.594 ( -3.499 0.000 3.553) 4.986 4.600 ( -4.043 0.000 -1.168) 4.208 4.632 ( 0.584 0.000 -3.865) 3.908 4.656 ( 0.635 0.000 -0.258) 0.685 4.673 ( 1.185 0.000 3.074) 3.294 4.742 ( -7.345 0.000 -6.994) 10.142 4.743 ( 0.756 0.000 -3.160) 3.249 4.755 ( 1.668 0.000 -2.775) 3.237 4.810 ( 1.752 0.000 1.667) 2.419 4.851 ( -0.738 0.000 3.498) 3.575 4.924 ( 3.421 0.000 -6.101) 6.994 4.934 ( 0.048 0.000 -3.639) 3.639 5.061 ( -2.585 0.000 -0.945) 2.752 5.107 ( -0.467 0.000 -4.023) 4.050 5.169 ( -0.834 0.000 3.344) 3.447 5.199 ( -4.395 0.000 0.530) 4.427 5.213 ( -4.091 0.000 1.329) 4.301 5.231 ( 3.097 0.000 1.077) 3.279 5.262 ( 0.799 0.000 6.751) 6.798 5.286 ( -1.677 0.000 0.282) 1.701 5.334 ( -0.890 0.000 -4.465) 4.553 5.406 ( -0.372 0.000 -4.642) 4.657 5.408 ( -0.246 0.000 -0.124) 0.276 5.507 ( 1.102 0.000 6.545) 6.637 5.540 ( -0.768 0.000 -10.447) 10.475 5.580 ( 3.635 0.000 -1.924) 4.113 5.645 ( -2.640 0.000 1.308) 2.947 5.694 ( 2.171 0.000 3.377) 4.015 5.701 ( -6.854 0.000 -5.316) 8.674 5.742 ( -3.708 0.000 -2.380) 4.406 5.839 ( -0.120 0.000 6.336) 6.337 5.847 ( -0.428 0.000 -2.688) 2.722 5.863 ( -3.801 0.000 -2.682) 4.652 5.960 ( -3.439 0.000 -3.324) 4.783 6.027 ( -0.963 0.000 3.533) 3.662 6.050 ( -0.276 0.000 4.614) 4.622 6.083 ( -2.997 0.000 -1.400) 3.308 6.123 ( -1.767 0.000 2.540) 3.094 6.183 ( 1.571 0.000 2.266) 2.758 6.186 ( 2.765 0.000 0.748) 2.864 6.233 ( 2.882 0.000 -5.447) 6.162 6.277 ( -2.047 0.000 2.157) 2.974 6.280 ( -1.557 0.000 -0.296) 1.585 6.315 ( -2.834 0.000 -1.677) 3.293 6.388 ( -1.513 0.000 3.124) 3.471 6.461 ( 1.328 0.000 -2.763) 3.066 6.478 ( -2.584 0.000 -1.690) 3.088 6.482 ( 0.230 0.000 1.241) 1.262 6.530 ( 3.582 0.000 0.424) 3.607 6.557 ( 0.467 0.000 0.056) 0.470 6.567 ( 0.561 0.000 -1.023) 1.167 6.596 ( -2.659 0.000 -2.891) 3.928 6.642 ( -2.367 0.000 3.292) 4.055 6.645 ( -0.631 0.000 5.378) 5.415 6.701 ( 0.552 0.000 0.620) 0.830 6.736 ( 1.555 0.000 2.233) 2.721 6.775 ( -0.312 0.000 -0.869) 0.923 6.792 ( 0.221 0.000 -4.263) 4.269 6.812 ( -0.026 0.000 5.150) 5.150 6.823 ( 1.513 0.000 -0.768) 1.696 6.920 ( -5.217 0.000 2.414) 5.749 6.933 ( 0.662 0.000 0.277) 0.717 6.949 ( -0.919 0.000 -1.669) 1.905 6.980 ( 0.006 0.000 -5.301) 5.301 6.981 ( 1.019 0.000 -0.943) 1.388 7.042 ( -2.865 0.000 -4.174) 5.062 7.124 ( 1.852 0.000 0.294) 1.875 7.150 ( -0.899 0.000 4.611) 4.698 7.165 ( 1.217 0.000 -1.306) 1.786 7.209 ( -3.025 0.000 4.377) 5.321 7.215 ( 1.421 0.000 -0.463) 1.494 7.237 ( 0.001 0.000 -0.310) 0.310 7.251 ( 0.368 0.000 -0.620) 0.721 7.268 ( 5.378 0.000 -0.535) 5.405 7.315 ( -4.308 0.000 -5.125) 6.695 7.316 ( 3.124 0.000 -2.538) 4.025 7.376 ( 1.642 0.000 2.095) 2.662 7.431 ( 0.606 0.000 -5.694) 5.726 7.469 ( 0.778 0.000 2.281) 2.410 7.524 ( 1.452 0.000 -3.018) 3.349 7.552 ( 1.769 0.000 4.548) 4.880 7.624 ( 2.486 0.000 6.958) 7.388 7.635 ( -0.164 0.000 -3.116) 3.120 7.694 ( 1.257 0.000 -0.274) 1.286 7.732 ( 2.149 0.000 1.132) 2.429 7.735 ( 5.079 0.000 4.548) 6.818 7.759 ( 1.970 0.000 -1.560) 2.513 7.806 ( 4.011 0.000 0.261) 4.019 7.829 ( 3.064 0.000 0.347) 3.084 7.840 ( 4.276 0.000 -1.043) 4.402 7.890 ( -1.190 0.000 -1.764) 2.127 7.901 ( 2.940 0.000 -0.970) 3.095 7.936 ( 1.501 0.000 1.214) 1.931 7.969 ( 0.190 0.000 -1.653) 1.664 8.091 ( -3.701 0.000 6.883) 7.815 8.194 ( -1.155 0.000 2.017) 2.324 8.209 ( -1.399 0.000 -0.124) 1.404 8.220 ( -4.262 0.000 -6.238) 7.555 8.361 ( -1.815 0.000 1.052) 2.098 8.386 ( -3.353 0.000 -0.939) 3.482 8.585 ( 2.450 0.000 3.880) 4.588 8.603 ( 1.336 0.000 1.777) 2.223 8.622 ( -0.098 0.000 0.096) 0.137 8.637 ( 1.457 0.000 -1.662) 2.210 8.648 ( 1.857 0.000 6.738) 6.989 8.756 ( 3.964 0.000 -3.755) 5.460 8.941 ( -1.153 0.000 -1.129) 1.614 8.968 ( -0.192 0.000 -2.967) 2.973 8.999 ( 1.998 0.000 1.483) 2.488 9.035 ( 0.617 0.000 -1.906) 2.003 9.109 ( 0.424 0.000 0.431) 0.605 9.113 ( 0.215 0.000 -0.096) 0.235 9.265 ( -2.448 0.000 2.452) 3.465 9.325 ( -1.479 0.000 -3.588) 3.881 9.408 ( 0.575 0.000 1.969) 2.051 9.450 ( -0.826 0.000 3.172) 3.278 9.458 ( -0.603 0.000 -2.706) 2.772 9.511 ( -1.294 0.000 -3.094) 3.353 9.538 ( 4.549 0.000 3.027) 5.464 9.563 ( 0.353 0.000 1.741) 1.777 9.585 ( 2.278 0.000 -2.828) 3.632 9.619 ( 4.030 0.000 -2.410) 4.695 9.673 ( -0.893 0.000 7.455) 7.509 9.705 ( -3.701 0.000 1.926) 4.172 9.746 ( -0.107 0.000 -1.013) 1.019 9.822 ( -0.135 0.000 -7.315) 7.316 9.833 ( 1.525 0.000 2.341) 2.794 9.873 ( 2.218 0.000 -2.080) 3.041 9.985 ( 1.684 0.000 4.039) 4.376 10.060 ( -0.273 0.000 -3.573) 3.584 10.299 ( -0.787 0.000 5.259) 5.318 10.368 ( -0.947 0.000 -1.595) 1.854 10.402 ( 1.885 0.000 5.158) 5.492 10.497 ( 2.384 0.000 -4.510) 5.101 10.519 ( 2.112 0.000 6.661) 6.988 10.674 ( 1.851 0.000 -9.500) 9.679 10.792 ( -1.993 0.000 -0.291) 2.014 10.820 ( -3.439 0.000 -2.737) 4.395 11.094 ( -5.296 0.000 2.297) 5.773 11.097 ( -3.067 0.000 1.243) 3.309 11.221 ( -2.383 0.000 1.975) 3.095 11.276 ( -1.353 0.000 -3.704) 3.943 11.466 ( -5.745 0.000 3.655) 6.809 11.527 ( -7.268 0.000 -1.752) 7.476 11.670 ( -10.366 0.000 -0.329) 10.371 11.673 ( -9.047 0.000 -0.861) 9.088 15.755 ( -0.861 0.000 3.624) 3.725 15.787 ( -0.653 0.000 -0.049) 0.654 15.908 ( -2.108 0.000 1.561) 2.623 15.942 ( 0.419 0.000 -1.698) 1.749 15.952 ( -1.067 0.000 -0.566) 1.207 15.955 ( 0.942 0.000 -1.318) 1.620 15.976 ( -1.059 0.000 0.759) 1.303 15.984 ( -0.338 0.000 -0.679) 0.758 16.295 ( -7.834 0.000 5.008) 9.298 16.363 ( -7.719 0.000 -1.198) 7.811 16.537 ( -4.917 0.000 6.133) 7.861 16.555 ( -4.087 0.000 3.489) 5.373 16.711 ( 2.689 0.000 1.334) 3.002 16.735 ( 1.065 0.000 -1.327) 1.701 16.805 ( 0.557 0.000 -1.680) 1.770 16.816 ( 0.607 0.000 -2.347) 2.424 16.922 ( 2.942 0.000 -1.383) 3.251 16.930 ( 4.325 0.000 -2.204) 4.855 16.975 ( -0.321 0.000 2.019) 2.044 17.036 ( -2.412 0.000 -3.889) 4.576 17.558 ( -6.265 0.000 2.472) 6.735 17.600 ( -4.931 0.000 -0.828) 5.000 17.752 ( -9.415 0.000 -2.165) 9.661 17.774 ( -9.903 0.000 -3.175) 10.399 18.055 ( 1.384 0.000 0.358) 1.430 18.074 ( 1.074 0.000 -1.641) 1.961 18.088 ( 1.068 0.000 -0.317) 1.114 18.096 ( 2.282 0.000 -1.374) 2.664 18.201 ( -0.009 0.000 2.072) 2.072 18.212 ( 0.013 0.000 2.659) 2.660 18.230 ( -0.508 0.000 -0.587) 0.776 18.268 ( -0.556 0.000 -3.088) 3.137 ======================= Grid point 56 (23/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 14.056 0.000 15.534) 20.950 1.444 ( 16.209 0.000 5.359) 17.072 1.723 ( 2.373 0.000 -0.395) 2.405 1.734 ( 11.747 0.000 -7.681) 14.035 1.807 ( 5.582 0.000 -4.674) 7.281 1.836 ( 0.807 0.000 2.876) 2.987 1.911 ( 5.720 0.000 12.537) 13.780 2.019 ( 2.412 0.000 -0.618) 2.490 2.202 ( -0.697 0.000 9.412) 9.437 2.237 ( 5.155 0.000 12.032) 13.089 2.366 ( 6.097 0.000 8.855) 10.751 2.381 ( 11.909 0.000 4.878) 12.869 2.418 ( -1.651 0.000 -6.253) 6.468 2.483 ( 5.178 0.000 -2.629) 5.807 2.524 ( 0.549 0.000 -0.634) 0.839 2.616 ( 0.319 0.000 2.013) 2.038 2.645 ( 2.506 0.000 0.674) 2.595 2.661 ( 1.995 0.000 -0.151) 2.001 2.746 ( -0.761 0.000 -2.081) 2.216 2.781 ( -2.058 0.000 -1.436) 2.510 2.892 ( -1.143 0.000 2.395) 2.654 2.896 ( -4.759 0.000 0.766) 4.820 2.903 ( -0.142 0.000 0.070) 0.159 2.931 ( -1.287 0.000 -3.969) 4.172 2.973 ( -2.281 0.000 0.110) 2.284 3.030 ( -0.251 0.000 -7.589) 7.594 3.124 ( -0.621 0.000 -0.363) 0.719 3.125 ( -1.732 0.000 -1.417) 2.238 3.221 ( -0.606 0.000 3.129) 3.187 3.225 ( 1.256 0.000 0.560) 1.375 3.306 ( -3.405 0.000 -1.752) 3.830 3.324 ( 3.226 0.000 -3.249) 4.578 3.355 ( -0.029 0.000 2.363) 2.363 3.443 ( 1.626 0.000 -2.691) 3.144 3.499 ( -2.003 0.000 2.014) 2.841 3.528 ( 4.240 0.000 -1.299) 4.434 3.545 ( 0.138 0.000 4.862) 4.864 3.565 ( -2.967 0.000 0.386) 2.992 3.592 ( 0.884 0.000 2.233) 2.402 3.626 ( -2.662 0.000 -1.236) 2.935 3.652 ( -2.045 0.000 5.316) 5.696 3.725 ( 2.053 0.000 2.180) 2.995 3.785 ( -0.862 0.000 -1.551) 1.775 3.838 ( 1.615 0.000 -0.114) 1.619 3.920 ( 0.929 0.000 -6.229) 6.298 3.925 ( 6.221 0.000 1.157) 6.328 3.950 ( 4.943 0.000 1.868) 5.284 3.975 ( 3.487 0.000 -2.142) 4.092 4.022 ( 2.063 0.000 -0.108) 2.066 4.070 ( -2.556 0.000 -1.227) 2.835 4.079 ( -0.458 0.000 -1.642) 1.705 4.119 ( 0.934 0.000 -2.750) 2.905 4.125 ( 0.716 0.000 0.249) 0.758 4.201 ( -0.422 0.000 -8.781) 8.791 4.260 ( -1.163 0.000 -0.424) 1.237 4.274 ( 1.713 0.000 -1.790) 2.478 4.325 ( -0.096 0.000 5.985) 5.986 4.352 ( -1.510 0.000 -1.310) 2.000 4.357 ( -0.994 0.000 2.247) 2.457 4.439 ( -4.037 0.000 2.591) 4.797 4.489 ( -5.518 0.000 -3.148) 6.352 4.512 ( -4.656 0.000 -4.714) 6.626 4.528 ( -0.935 0.000 1.658) 1.904 4.572 ( -4.146 0.000 -2.860) 5.037 4.631 ( 4.835 0.000 3.799) 6.149 4.664 ( 2.804 0.000 -1.124) 3.021 4.694 ( 1.572 0.000 1.910) 2.474 4.725 ( -0.488 0.000 -1.181) 1.278 4.786 ( 4.601 0.000 0.620) 4.643 4.813 ( 3.801 0.000 -0.662) 3.858 4.821 ( -0.896 0.000 3.445) 3.560 4.843 ( 0.871 0.000 0.956) 1.293 4.922 ( -0.085 0.000 -5.509) 5.509 4.956 ( -0.088 0.000 -6.688) 6.688 5.022 ( 1.586 0.000 3.211) 3.582 5.055 ( -7.080 0.000 1.373) 7.212 5.080 ( -3.106 0.000 -3.306) 4.537 5.154 ( -0.356 0.000 -5.681) 5.692 5.168 ( 0.606 0.000 4.910) 4.947 5.260 ( 0.521 0.000 -2.953) 2.999 5.323 ( 0.845 0.000 3.698) 3.794 5.323 ( 0.086 0.000 0.227) 0.243 5.330 ( 2.493 0.000 1.272) 2.798 5.404 ( -0.805 0.000 -2.339) 2.474 5.447 ( 3.829 0.000 2.852) 4.775 5.502 ( -5.796 0.000 0.734) 5.842 5.531 ( 0.984 0.000 2.766) 2.936 5.534 ( -2.799 0.000 -4.144) 5.001 5.560 ( -2.067 0.000 1.172) 2.376 5.659 ( -1.809 0.000 -2.040) 2.727 5.677 ( 3.877 0.000 -5.169) 6.461 5.712 ( -2.772 0.000 -3.557) 4.510 5.814 ( 0.926 0.000 8.497) 8.547 5.855 ( -2.382 0.000 -0.010) 2.382 5.880 ( 3.114 0.000 -2.036) 3.720 5.935 ( 1.988 0.000 -0.740) 2.121 5.975 ( -2.967 0.000 2.972) 4.200 5.998 ( -3.524 0.000 -0.878) 3.632 6.069 ( 1.990 0.000 -0.060) 1.991 6.084 ( -1.087 0.000 -0.078) 1.090 6.159 ( -5.867 0.000 2.183) 6.260 6.180 ( -6.780 0.000 -1.082) 6.866 6.205 ( -4.608 0.000 1.309) 4.791 6.209 ( -3.608 0.000 2.622) 4.460 6.218 ( 0.294 0.000 -1.066) 1.106 6.271 ( -1.433 0.000 -4.465) 4.689 6.333 ( -1.499 0.000 3.948) 4.223 6.442 ( -2.024 0.000 -4.955) 5.353 6.447 ( -3.033 0.000 1.990) 3.627 6.462 ( -2.932 0.000 0.302) 2.948 6.507 ( -1.665 0.000 1.296) 2.110 6.517 ( -2.793 0.000 1.581) 3.209 6.584 ( 0.200 0.000 0.968) 0.988 6.599 ( 0.194 0.000 2.737) 2.744 6.640 ( 0.058 0.000 4.844) 4.844 6.657 ( 1.662 0.000 -5.350) 5.602 6.695 ( -2.459 0.000 4.464) 5.097 6.734 ( 0.321 0.000 2.326) 2.348 6.769 ( -1.251 0.000 0.781) 1.475 6.801 ( 2.129 0.000 -2.716) 3.450 6.811 ( -3.440 0.000 -2.994) 4.560 6.856 ( -1.512 0.000 -8.915) 9.042 6.915 ( 4.690 0.000 1.086) 4.815 6.929 ( -0.981 0.000 -0.863) 1.306 6.947 ( 2.892 0.000 0.043) 2.893 6.958 ( 2.123 0.000 0.548) 2.192 7.026 ( 1.659 0.000 -0.035) 1.660 7.032 ( -1.186 0.000 -1.331) 1.782 7.125 ( -0.942 0.000 2.784) 2.939 7.174 ( 3.279 0.000 -0.024) 3.279 7.194 ( 0.272 0.000 -2.720) 2.733 7.215 ( 0.302 0.000 -0.953) 1.000 7.215 ( 3.129 0.000 1.023) 3.292 7.249 ( 0.997 0.000 -4.041) 4.162 7.258 ( 0.995 0.000 -0.649) 1.188 7.262 ( 0.260 0.000 -1.878) 1.896 7.349 ( 0.115 0.000 0.592) 0.603 7.358 ( 2.638 0.000 -0.671) 2.722 7.430 ( 2.588 0.000 3.829) 4.621 7.449 ( 0.763 0.000 -0.486) 0.904 7.494 ( 1.892 0.000 1.198) 2.240 7.528 ( -0.865 0.000 -2.582) 2.723 7.545 ( -1.734 0.000 -0.834) 1.925 7.586 ( -1.901 0.000 -3.537) 4.016 7.683 ( 1.516 0.000 4.504) 4.752 7.724 ( -0.190 0.000 0.872) 0.892 7.765 ( -0.281 0.000 -0.443) 0.525 7.768 ( -1.086 0.000 -1.398) 1.770 7.858 ( 4.446 0.000 1.235) 4.614 7.866 ( 1.065 0.000 -0.644) 1.245 7.904 ( 4.772 0.000 0.556) 4.805 7.912 ( 5.459 0.000 -0.027) 5.459 7.926 ( -0.412 0.000 2.736) 2.767 7.952 ( 2.719 0.000 2.371) 3.607 8.003 ( 4.843 0.000 -1.343) 5.026 8.015 ( 4.189 0.000 -1.870) 4.588 8.039 ( -0.214 0.000 5.388) 5.393 8.141 ( -2.787 0.000 -4.754) 5.510 8.182 ( -0.523 0.000 2.242) 2.303 8.208 ( 0.266 0.000 -0.358) 0.446 8.328 ( -0.013 0.000 1.277) 1.278 8.347 ( 1.849 0.000 -0.663) 1.964 8.560 ( -3.340 0.000 1.751) 3.771 8.568 ( -4.134 0.000 0.740) 4.200 8.629 ( 1.088 0.000 1.374) 1.753 8.658 ( 0.045 0.000 -1.570) 1.571 8.747 ( 5.442 0.000 6.209) 8.257 8.828 ( 1.581 0.000 -1.672) 2.301 8.913 ( -0.056 0.000 -0.441) 0.445 8.940 ( -1.744 0.000 -2.840) 3.333 9.053 ( -0.530 0.000 0.714) 0.889 9.054 ( 1.933 0.000 0.497) 1.996 9.090 ( -2.584 0.000 -0.798) 2.704 9.092 ( -1.343 0.000 -1.011) 1.680 9.237 ( -0.787 0.000 1.979) 2.129 9.298 ( -2.197 0.000 -4.317) 4.843 9.409 ( -1.279 0.000 2.250) 2.588 9.428 ( 1.633 0.000 2.071) 2.637 9.452 ( 0.085 0.000 -1.978) 1.980 9.482 ( -0.015 0.000 -3.534) 3.534 9.563 ( -0.538 0.000 4.895) 4.925 9.624 ( -1.922 0.000 -0.494) 1.985 9.652 ( 5.476 0.000 -0.618) 5.511 9.663 ( 3.702 0.000 0.001) 3.702 9.710 ( 2.527 0.000 1.441) 2.909 9.718 ( 2.691 0.000 4.377) 5.138 9.767 ( 3.606 0.000 0.166) 3.610 9.833 ( 3.297 0.000 -5.762) 6.639 9.899 ( 4.895 0.000 3.955) 6.293 9.967 ( 5.920 0.000 -1.699) 6.159 10.027 ( 2.770 0.000 1.115) 2.986 10.046 ( -0.700 0.000 -1.552) 1.702 10.287 ( -0.774 0.000 4.834) 4.896 10.347 ( -1.211 0.000 -1.209) 1.711 10.435 ( 1.239 0.000 4.875) 5.030 10.538 ( 1.432 0.000 -5.410) 5.597 10.544 ( 0.102 0.000 4.822) 4.823 10.645 ( -4.124 0.000 -5.650) 6.995 10.718 ( -5.969 0.000 -0.545) 5.994 10.745 ( -2.283 0.000 -3.356) 4.059 10.956 ( -7.247 0.000 5.786) 9.274 11.013 ( -4.539 0.000 -0.831) 4.614 11.148 ( -4.513 0.000 2.466) 5.143 11.188 ( -7.557 0.000 0.618) 7.582 11.304 ( -8.874 0.000 -3.622) 9.584 11.317 ( -12.182 0.000 -1.803) 12.315 11.395 ( -14.521 0.000 0.549) 14.531 11.427 ( -13.404 0.000 -2.912) 13.717 15.746 ( 0.228 0.000 3.092) 3.100 15.783 ( 0.548 0.000 -0.912) 1.064 15.848 ( -2.576 0.000 5.236) 5.835 15.920 ( -1.656 0.000 1.029) 1.950 15.936 ( -1.207 0.000 -4.453) 4.614 15.951 ( -1.498 0.000 2.759) 3.139 15.957 ( 0.060 0.000 -2.593) 2.594 15.998 ( 0.551 0.000 -2.527) 2.586 16.240 ( 2.062 0.000 2.260) 3.059 16.276 ( -0.000 0.000 -1.001) 1.001 16.467 ( -2.769 0.000 4.173) 5.009 16.483 ( -0.371 0.000 2.244) 2.274 16.759 ( 0.637 0.000 0.141) 0.653 16.762 ( 1.431 0.000 -0.314) 1.465 16.821 ( 1.077 0.000 -0.588) 1.226 16.835 ( 0.985 0.000 -1.286) 1.620 16.928 ( -3.469 0.000 -0.394) 3.492 16.941 ( -5.649 0.000 -1.268) 5.789 16.951 ( -1.048 0.000 0.091) 1.052 16.977 ( -0.063 0.000 -2.241) 2.242 17.376 ( -10.168 0.000 5.545) 11.582 17.421 ( -11.539 0.000 4.518) 12.392 17.508 ( -11.707 0.000 -7.001) 13.641 17.524 ( -12.467 0.000 -4.954) 13.415 18.083 ( 1.097 0.000 0.191) 1.114 18.095 ( 0.900 0.000 -1.034) 1.371 18.100 ( 0.161 0.000 0.422) 0.452 18.115 ( 0.139 0.000 -1.122) 1.131 18.215 ( 0.552 0.000 0.818) 0.987 18.217 ( 0.274 0.000 1.841) 1.862 18.227 ( 0.027 0.000 0.061) 0.066 18.267 ( 0.083 0.000 -3.163) 3.164 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.329 0.000 14.764) 18.610 1.768 ( 12.405 0.000 0.510) 12.415 1.788 ( 3.397 0.000 1.827) 3.857 1.878 ( 3.758 0.000 -7.348) 8.253 1.938 ( 7.093 0.000 -1.476) 7.245 1.946 ( 8.167 0.000 -0.767) 8.203 2.067 ( 6.510 0.000 10.968) 12.755 2.094 ( 1.906 0.000 2.755) 3.350 2.209 ( 1.367 0.000 3.448) 3.710 2.332 ( 2.662 0.000 5.547) 6.153 2.347 ( -2.752 0.000 -1.592) 3.179 2.407 ( -2.247 0.000 -2.256) 3.184 2.535 ( 0.624 0.000 0.524) 0.814 2.544 ( 1.883 0.000 1.258) 2.265 2.609 ( 4.230 0.000 7.806) 8.878 2.648 ( 3.110 0.000 4.394) 5.383 2.652 ( 0.699 0.000 2.710) 2.799 2.706 ( 2.588 0.000 -2.429) 3.549 2.787 ( 0.667 0.000 3.068) 3.140 2.817 ( -0.960 0.000 3.748) 3.869 2.835 ( 2.463 0.000 0.492) 2.512 2.841 ( 2.594 0.000 1.930) 3.233 2.896 ( 0.859 0.000 -3.067) 3.186 2.918 ( -2.070 0.000 -6.493) 6.815 2.923 ( 1.150 0.000 -3.284) 3.479 2.998 ( -2.302 0.000 -7.702) 8.038 3.119 ( 0.734 0.000 -1.874) 2.013 3.122 ( -0.299 0.000 -0.376) 0.480 3.167 ( -4.531 0.000 3.980) 6.031 3.221 ( -0.921 0.000 -0.628) 1.115 3.245 ( -4.088 0.000 -0.454) 4.113 3.263 ( -6.141 0.000 -2.417) 6.599 3.339 ( -4.556 0.000 9.855) 10.857 3.429 ( -6.006 0.000 1.407) 6.169 3.434 ( -0.804 0.000 1.789) 1.961 3.493 ( 3.775 0.000 -0.479) 3.805 3.500 ( -7.618 0.000 0.428) 7.630 3.559 ( -2.901 0.000 0.606) 2.963 3.595 ( 0.607 0.000 1.141) 1.292 3.609 ( 0.908 0.000 1.129) 1.449 3.686 ( 0.514 0.000 -1.988) 2.054 3.693 ( 4.211 0.000 -3.248) 5.318 3.832 ( 0.486 0.000 -1.815) 1.879 3.845 ( -0.793 0.000 1.378) 1.590 3.897 ( -0.770 0.000 -5.001) 5.060 3.920 ( -0.921 0.000 -4.539) 4.631 4.010 ( -1.551 0.000 2.444) 2.895 4.052 ( -0.007 0.000 -1.364) 1.364 4.058 ( -0.134 0.000 -0.796) 0.807 4.076 ( 3.108 0.000 1.219) 3.338 4.089 ( 1.770 0.000 0.351) 1.805 4.106 ( -6.156 0.000 -0.552) 6.181 4.143 ( -0.220 0.000 -2.709) 2.718 4.174 ( 4.505 0.000 -0.110) 4.506 4.284 ( 0.172 0.000 -0.395) 0.431 4.294 ( -6.917 0.000 0.413) 6.929 4.304 ( 2.084 0.000 1.599) 2.627 4.343 ( 2.809 0.000 0.594) 2.871 4.386 ( 2.342 0.000 -6.650) 7.050 4.387 ( 5.421 0.000 1.781) 5.706 4.430 ( 0.322 0.000 0.369) 0.490 4.515 ( 3.132 0.000 -4.747) 5.688 4.554 ( 2.629 0.000 -1.353) 2.957 4.566 ( 3.814 0.000 0.046) 3.814 4.692 ( -1.308 0.000 -1.716) 2.157 4.702 ( -1.041 0.000 -1.527) 1.848 4.713 ( 1.580 0.000 5.658) 5.874 4.740 ( 2.371 0.000 1.798) 2.975 4.793 ( -2.625 0.000 0.559) 2.684 4.823 ( -0.929 0.000 2.461) 2.630 4.827 ( -2.980 0.000 -0.684) 3.058 4.847 ( -0.518 0.000 -0.718) 0.885 4.980 ( 5.070 0.000 -0.818) 5.135 4.993 ( 3.687 0.000 -2.691) 4.564 5.009 ( 2.849 0.000 -0.682) 2.930 5.019 ( -0.326 0.000 -0.085) 0.337 5.075 ( 2.853 0.000 1.652) 3.297 5.148 ( -0.684 0.000 -4.940) 4.987 5.189 ( -0.403 0.000 1.303) 1.363 5.235 ( -3.543 0.000 -2.922) 4.593 5.288 ( -2.636 0.000 4.267) 5.016 5.318 ( -0.705 0.000 2.332) 2.436 5.366 ( 1.718 0.000 2.380) 2.935 5.378 ( -4.487 0.000 1.481) 4.725 5.402 ( 2.027 0.000 -1.677) 2.631 5.405 ( -5.315 0.000 0.250) 5.321 5.512 ( -1.559 0.000 0.500) 1.637 5.531 ( -1.757 0.000 -0.841) 1.948 5.635 ( 5.326 0.000 1.460) 5.523 5.660 ( 1.676 0.000 -1.868) 2.510 5.697 ( 1.555 0.000 1.680) 2.289 5.752 ( 2.268 0.000 -2.383) 3.290 5.785 ( -3.103 0.000 1.201) 3.328 5.841 ( -0.643 0.000 2.595) 2.673 5.889 ( -3.628 0.000 0.623) 3.681 5.923 ( -4.325 0.000 -0.587) 4.365 5.925 ( 0.062 0.000 -1.480) 1.481 5.996 ( 3.128 0.000 -2.788) 4.190 6.030 ( -3.011 0.000 -1.844) 3.531 6.058 ( 0.911 0.000 -1.820) 2.035 6.101 ( -0.802 0.000 2.696) 2.813 6.123 ( -2.131 0.000 3.459) 4.063 6.135 ( -3.375 0.000 2.532) 4.219 6.170 ( 2.685 0.000 -2.449) 3.634 6.226 ( 0.297 0.000 1.313) 1.346 6.246 ( 3.268 0.000 -2.252) 3.968 6.314 ( -0.278 0.000 1.298) 1.327 6.371 ( -1.571 0.000 0.214) 1.585 6.388 ( -1.858 0.000 1.439) 2.350 6.422 ( -2.112 0.000 -5.254) 5.663 6.467 ( -0.949 0.000 0.496) 1.071 6.467 ( -1.405 0.000 0.584) 1.521 6.557 ( -3.148 0.000 3.154) 4.456 6.567 ( -4.620 0.000 0.126) 4.622 6.609 ( -4.058 0.000 3.624) 5.440 6.672 ( 1.292 0.000 2.810) 3.093 6.672 ( -0.062 0.000 -1.063) 1.065 6.726 ( -5.038 0.000 -5.089) 7.161 6.744 ( -2.777 0.000 -2.345) 3.635 6.760 ( -1.439 0.000 -3.526) 3.808 6.775 ( 2.228 0.000 1.140) 2.503 6.846 ( 1.198 0.000 -3.968) 4.145 6.926 ( -2.208 0.000 -0.732) 2.326 6.929 ( -1.913 0.000 -0.639) 2.017 6.974 ( -0.118 0.000 1.273) 1.278 6.982 ( 2.216 0.000 -0.060) 2.216 7.057 ( 2.602 0.000 0.284) 2.618 7.084 ( 1.214 0.000 -1.627) 2.030 7.121 ( 0.032 0.000 1.932) 1.932 7.174 ( -0.734 0.000 -3.065) 3.151 7.190 ( -2.054 0.000 1.130) 2.345 7.219 ( -0.337 0.000 -0.426) 0.543 7.249 ( 1.480 0.000 1.561) 2.151 7.298 ( 2.852 0.000 -2.489) 3.785 7.320 ( 1.647 0.000 0.615) 1.758 7.340 ( 6.870 0.000 -1.184) 6.972 7.375 ( 3.004 0.000 0.722) 3.089 7.389 ( 0.005 0.000 -1.052) 1.052 7.447 ( -1.324 0.000 4.751) 4.932 7.464 ( 0.532 0.000 -0.731) 0.904 7.500 ( -1.211 0.000 -3.210) 3.431 7.512 ( -0.550 0.000 0.293) 0.624 7.548 ( -0.911 0.000 -3.981) 4.084 7.558 ( 4.149 0.000 -1.729) 4.495 7.670 ( -1.892 0.000 2.132) 2.850 7.697 ( -2.451 0.000 0.134) 2.454 7.730 ( -2.126 0.000 2.606) 3.363 7.784 ( 1.279 0.000 -2.224) 2.565 7.869 ( 1.532 0.000 -0.115) 1.536 7.872 ( -0.228 0.000 0.233) 0.326 7.979 ( 4.121 0.000 1.841) 4.514 8.000 ( 2.147 0.000 -0.031) 2.148 8.019 ( 4.972 0.000 -0.150) 4.974 8.022 ( 4.577 0.000 -0.212) 4.582 8.051 ( 0.995 0.000 2.458) 2.652 8.086 ( 0.371 0.000 0.284) 0.467 8.086 ( 0.910 0.000 -0.038) 0.911 8.100 ( -0.562 0.000 -2.232) 2.301 8.136 ( -3.208 0.000 1.233) 3.436 8.145 ( -4.981 0.000 0.122) 4.983 8.408 ( 1.460 0.000 0.957) 1.746 8.425 ( 5.141 0.000 -0.710) 5.190 8.490 ( -2.623 0.000 0.999) 2.807 8.500 ( -0.947 0.000 -0.109) 0.953 8.649 ( 0.862 0.000 0.872) 1.226 8.680 ( 5.223 0.000 -1.941) 5.572 8.836 ( -0.481 0.000 2.324) 2.374 8.840 ( 3.111 0.000 2.743) 4.148 8.920 ( -0.208 0.000 -0.463) 0.508 8.930 ( 0.492 0.000 -0.956) 1.075 8.989 ( -4.042 0.000 1.503) 4.313 9.020 ( -3.683 0.000 -1.291) 3.903 9.070 ( 0.539 0.000 -0.798) 0.963 9.079 ( -0.580 0.000 -1.560) 1.664 9.189 ( -3.767 0.000 0.280) 3.778 9.212 ( -5.669 0.000 -2.781) 6.315 9.412 ( 2.078 0.000 1.487) 2.555 9.453 ( 1.478 0.000 -2.624) 3.011 9.505 ( 3.886 0.000 2.247) 4.489 9.538 ( 2.316 0.000 -0.688) 2.416 9.538 ( -0.742 0.000 2.828) 2.924 9.595 ( -0.374 0.000 -2.478) 2.506 9.706 ( 0.391 0.000 4.023) 4.042 9.711 ( -2.095 0.000 2.711) 3.426 9.766 ( 4.786 0.000 -0.191) 4.790 9.768 ( 3.404 0.000 -0.993) 3.546 9.872 ( 3.606 0.000 2.469) 4.370 9.916 ( 0.715 0.000 -1.626) 1.776 10.048 ( 9.450 0.000 2.029) 9.665 10.064 ( 5.845 0.000 -0.360) 5.856 10.117 ( 6.300 0.000 2.247) 6.689 10.117 ( 5.333 0.000 1.776) 5.621 10.263 ( -0.780 0.000 4.761) 4.825 10.339 ( 1.514 0.000 -2.634) 3.038 10.428 ( -2.266 0.000 2.028) 3.041 10.472 ( -7.535 0.000 -3.190) 8.183 10.531 ( -2.163 0.000 1.269) 2.508 10.572 ( -3.877 0.000 -2.143) 4.430 10.606 ( -3.332 0.000 4.451) 5.560 10.709 ( -2.065 0.000 -5.342) 5.727 10.849 ( -0.676 0.000 4.732) 4.780 10.931 ( -2.529 0.000 -3.016) 3.936 10.990 ( -8.573 0.000 3.697) 9.336 11.041 ( -5.368 0.000 1.538) 5.584 11.061 ( -10.343 0.000 -2.221) 10.578 11.115 ( -11.241 0.000 -0.169) 11.243 11.118 ( -8.920 0.000 -4.790) 10.124 11.155 ( -11.726 0.000 -4.505) 12.561 15.768 ( 1.814 0.000 2.625) 3.191 15.812 ( 2.146 0.000 -1.891) 2.860 15.824 ( 0.067 0.000 5.033) 5.033 15.883 ( -1.816 0.000 2.565) 3.143 15.911 ( -2.087 0.000 3.922) 4.443 15.912 ( -1.380 0.000 -4.318) 4.533 15.951 ( -0.305 0.000 -4.072) 4.084 15.990 ( -1.029 0.000 -4.220) 4.343 16.338 ( 6.615 0.000 0.525) 6.635 16.349 ( 6.072 0.000 -0.607) 6.102 16.467 ( 2.687 0.000 4.347) 5.111 16.522 ( 3.852 0.000 -1.225) 4.043 16.704 ( -6.743 0.000 0.599) 6.770 16.712 ( -5.340 0.000 0.515) 5.365 16.833 ( -4.472 0.000 -0.579) 4.510 16.835 ( -1.184 0.000 -0.864) 1.466 16.877 ( -0.022 0.000 -0.053) 0.058 16.879 ( -1.996 0.000 1.292) 2.378 16.890 ( -0.022 0.000 -1.175) 1.175 16.923 ( -4.435 0.000 -2.525) 5.104 17.199 ( -5.110 0.000 4.301) 6.679 17.204 ( -6.270 0.000 4.040) 7.459 17.299 ( -8.502 0.000 -3.964) 9.381 17.303 ( -7.927 0.000 -4.733) 9.232 18.099 ( 0.476 0.000 0.655) 0.810 18.102 ( 0.214 0.000 0.864) 0.890 18.111 ( 0.660 0.000 -0.606) 0.896 18.120 ( 0.331 0.000 -0.914) 0.972 18.217 ( -0.216 0.000 1.283) 1.301 18.219 ( 0.127 0.000 0.191) 0.230 18.223 ( -0.442 0.000 0.184) 0.479 18.256 ( -1.128 0.000 -2.394) 2.647 ======================= Grid point 58 (25/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -4.341 0.000 9.163) 10.140 1.792 ( 4.341 0.000 9.163) 10.140 1.913 ( -2.332 0.000 -2.611) 3.501 1.913 ( 2.332 0.000 -2.611) 3.501 2.065 ( -3.923 0.000 1.377) 4.158 2.065 ( 3.923 0.000 1.377) 4.158 2.090 ( -4.550 0.000 0.620) 4.593 2.090 ( 4.550 0.000 0.620) 4.593 2.292 ( -6.841 0.000 2.585) 7.314 2.292 ( 6.841 0.000 2.585) 7.314 2.335 ( -1.479 0.000 0.412) 1.535 2.335 ( 1.479 0.000 0.412) 1.535 2.590 ( -4.731 0.000 3.613) 5.953 2.590 ( 4.731 0.000 3.613) 5.953 2.628 ( -5.478 0.000 2.297) 5.940 2.628 ( 5.478 0.000 2.297) 5.940 2.702 ( -5.422 0.000 2.653) 6.036 2.702 ( 5.422 0.000 2.653) 6.036 2.771 ( -2.138 0.000 -2.795) 3.519 2.771 ( 2.138 0.000 -2.795) 3.519 2.908 ( -1.981 0.000 -0.632) 2.079 2.908 ( 1.981 0.000 -0.632) 2.079 2.920 ( -1.707 0.000 -1.549) 2.305 2.920 ( 1.707 0.000 -1.549) 2.305 3.038 ( -8.943 0.000 -0.937) 8.992 3.038 ( 8.943 0.000 -0.937) 8.992 3.049 ( -8.637 0.000 1.820) 8.827 3.049 ( 8.637 0.000 1.820) 8.827 3.141 ( -2.949 0.000 4.203) 5.134 3.141 ( 2.949 0.000 4.203) 5.134 3.172 ( -3.486 0.000 -0.196) 3.492 3.172 ( 3.486 0.000 -0.196) 3.492 3.352 ( -4.942 0.000 -0.957) 5.033 3.352 ( 4.942 0.000 -0.957) 5.033 3.372 ( -2.178 0.000 -1.907) 2.895 3.372 ( 2.178 0.000 -1.907) 2.895 3.562 ( -2.113 0.000 1.301) 2.481 3.562 ( 2.113 0.000 1.301) 2.481 3.581 ( -3.305 0.000 -0.578) 3.355 3.581 ( 3.305 0.000 -0.578) 3.355 3.772 ( -4.909 0.000 -1.665) 5.184 3.772 ( 4.909 0.000 -1.665) 5.184 3.794 ( -4.417 0.000 -2.280) 4.970 3.794 ( 4.417 0.000 -2.280) 4.970 3.948 ( -5.966 0.000 -0.831) 6.023 3.948 ( 5.966 0.000 -0.831) 6.024 3.948 ( -2.671 0.000 -1.124) 2.898 3.948 ( 2.671 0.000 -1.124) 2.898 4.081 ( -1.954 0.000 0.667) 2.065 4.081 ( 1.954 0.000 0.667) 2.065 4.084 ( -1.525 0.000 -0.427) 1.584 4.084 ( 1.525 0.000 -0.427) 1.584 4.183 ( -3.290 0.000 0.762) 3.377 4.183 ( 3.290 0.000 0.762) 3.377 4.250 ( -2.541 0.000 -1.823) 3.127 4.250 ( 2.541 0.000 -1.823) 3.127 4.396 ( -2.149 0.000 -0.458) 2.197 4.396 ( 2.149 0.000 -0.458) 2.197 4.396 ( -3.256 0.000 -1.600) 3.628 4.396 ( 3.256 0.000 -1.600) 3.628 4.523 ( -6.087 0.000 2.867) 6.728 4.523 ( 6.087 0.000 2.867) 6.728 4.603 ( -4.847 0.000 -4.757) 6.791 4.603 ( 4.847 0.000 -4.757) 6.791 4.707 ( -5.773 0.000 -0.009) 5.773 4.707 ( 5.773 0.000 -0.009) 5.773 4.708 ( -4.091 0.000 0.207) 4.096 4.708 ( 4.091 0.000 0.207) 4.096 4.784 ( -3.177 0.000 3.083) 4.427 4.784 ( 3.177 0.000 3.083) 4.427 4.819 ( -2.181 0.000 0.459) 2.229 4.819 ( 2.181 0.000 0.459) 2.229 5.037 ( -0.338 0.000 0.820) 0.887 5.037 ( 0.338 0.000 0.820) 0.887 5.063 ( -0.401 0.000 -1.417) 1.473 5.063 ( 0.401 0.000 -1.417) 1.473 5.137 ( -4.331 0.000 -0.409) 4.351 5.137 ( 4.331 0.000 -0.409) 4.351 5.155 ( -1.795 0.000 -1.409) 2.282 5.155 ( 1.795 0.000 -1.409) 2.282 5.282 ( -3.568 0.000 3.083) 4.716 5.282 ( 3.568 0.000 3.083) 4.716 5.319 ( -1.081 0.000 -0.188) 1.097 5.319 ( 1.081 0.000 -0.188) 1.097 5.454 ( -4.714 0.000 1.182) 4.860 5.454 ( 4.714 0.000 1.182) 4.860 5.463 ( -2.817 0.000 -0.139) 2.820 5.463 ( 2.817 0.000 -0.139) 2.820 5.708 ( -2.899 0.000 1.334) 3.191 5.708 ( 2.899 0.000 1.334) 3.191 5.716 ( -2.056 0.000 2.219) 3.026 5.716 ( 2.056 0.000 2.219) 3.026 5.809 ( -2.141 0.000 -2.648) 3.406 5.809 ( 2.141 0.000 -2.648) 3.406 5.820 ( -3.961 0.000 -2.894) 4.906 5.820 ( 3.961 0.000 -2.894) 4.906 5.999 ( -4.878 0.000 3.760) 6.159 5.999 ( 4.878 0.000 3.760) 6.159 6.036 ( -1.752 0.000 -0.523) 1.828 6.036 ( 1.752 0.000 -0.523) 1.828 6.116 ( -1.863 0.000 -0.714) 1.995 6.116 ( 1.560 0.000 -0.928) 1.815 6.116 ( -2.377 0.000 -0.248) 2.390 6.116 ( 2.679 0.000 -0.020) 2.679 6.309 ( -1.323 0.000 1.601) 2.077 6.309 ( 1.323 0.000 1.601) 2.077 6.348 ( -4.589 0.000 -2.302) 5.135 6.348 ( 4.589 0.000 -2.302) 5.135 6.418 ( -6.524 0.000 0.344) 6.533 6.418 ( 6.524 0.000 0.344) 6.533 6.433 ( -4.622 0.000 0.084) 4.623 6.433 ( 4.622 0.000 0.084) 4.623 6.509 ( -1.128 0.000 0.362) 1.185 6.509 ( 1.128 0.000 0.362) 1.185 6.539 ( -5.877 0.000 -2.155) 6.259 6.539 ( 5.877 0.000 -2.155) 6.259 6.698 ( -1.499 0.000 1.419) 2.064 6.698 ( 1.499 0.000 1.419) 2.064 6.741 ( -1.381 0.000 -3.063) 3.359 6.741 ( 1.381 0.000 -3.063) 3.359 6.841 ( -3.967 0.000 0.347) 3.983 6.841 ( 3.967 0.000 0.347) 3.983 6.875 ( -2.154 0.000 -2.365) 3.199 6.875 ( 2.154 0.000 -2.365) 3.199 7.031 ( -3.903 0.000 1.666) 4.243 7.031 ( 3.903 0.000 1.666) 4.243 7.054 ( -3.254 0.000 -0.879) 3.370 7.054 ( 3.254 0.000 -0.879) 3.370 7.135 ( -2.155 0.000 1.705) 2.747 7.135 ( 2.155 0.000 1.705) 2.747 7.198 ( -1.779 0.000 -4.082) 4.453 7.198 ( 1.779 0.000 -4.082) 4.453 7.303 ( -2.940 0.000 2.484) 3.848 7.303 ( 2.940 0.000 2.484) 3.848 7.353 ( -2.470 0.000 -1.873) 3.100 7.353 ( 2.470 0.000 -1.873) 3.100 7.407 ( -1.938 0.000 1.501) 2.452 7.407 ( 1.938 0.000 1.501) 2.452 7.452 ( -3.438 0.000 -3.316) 4.776 7.452 ( 3.438 0.000 -3.316) 4.777 7.535 ( -4.111 0.000 0.439) 4.135 7.535 ( 4.111 0.000 0.439) 4.135 7.552 ( -4.161 0.000 -0.753) 4.228 7.552 ( 4.161 0.000 -0.753) 4.228 7.673 ( -2.246 0.000 3.517) 4.173 7.673 ( 2.246 0.000 3.517) 4.173 7.719 ( -5.492 0.000 -1.092) 5.599 7.719 ( 5.492 0.000 -1.092) 5.599 7.967 ( -6.569 0.000 -0.105) 6.569 7.967 ( 6.569 0.000 -0.105) 6.569 7.971 ( -6.682 0.000 -0.244) 6.687 7.971 ( 6.682 0.000 -0.244) 6.687 8.053 ( -1.381 0.000 -0.121) 1.386 8.053 ( 1.381 0.000 -0.121) 1.386 8.058 ( -1.293 0.000 -0.789) 1.515 8.058 ( 1.293 0.000 -0.789) 1.515 8.102 ( -2.240 0.000 0.590) 2.317 8.102 ( 2.240 0.000 0.590) 2.317 8.103 ( -1.957 0.000 0.365) 1.991 8.103 ( 1.957 0.000 0.365) 1.991 8.436 ( -2.300 0.000 1.844) 2.948 8.436 ( 2.300 0.000 1.844) 2.948 8.480 ( -1.996 0.000 -2.619) 3.293 8.480 ( 1.996 0.000 -2.619) 3.293 8.757 ( -6.948 0.000 3.985) 8.010 8.757 ( 6.948 0.000 3.985) 8.010 8.822 ( -5.963 0.000 -2.202) 6.357 8.822 ( 5.963 0.000 -2.202) 6.357 8.928 ( -1.589 0.000 1.638) 2.282 8.928 ( 1.589 0.000 1.638) 2.282 8.953 ( -2.390 0.000 -1.078) 2.621 8.953 ( 2.390 0.000 -1.078) 2.621 9.102 ( -3.633 0.000 -1.289) 3.855 9.102 ( 3.633 0.000 -1.289) 3.855 9.110 ( -3.195 0.000 -1.214) 3.418 9.110 ( 3.195 0.000 -1.214) 3.418 9.472 ( -3.120 0.000 1.881) 3.643 9.472 ( 3.120 0.000 1.881) 3.643 9.508 ( -3.148 0.000 -1.785) 3.619 9.508 ( 3.148 0.000 -1.785) 3.619 9.625 ( -5.295 0.000 2.732) 5.958 9.625 ( 5.295 0.000 2.732) 5.958 9.662 ( -4.177 0.000 -0.856) 4.264 9.662 ( 4.178 0.000 -0.856) 4.264 9.858 ( -4.682 0.000 1.719) 4.987 9.858 ( 4.682 0.000 1.719) 4.987 9.865 ( -3.749 0.000 1.042) 3.891 9.865 ( 3.749 0.000 1.042) 3.891 10.180 ( -1.909 0.000 3.082) 3.626 10.180 ( 1.909 0.000 3.082) 3.626 10.213 ( -1.016 0.000 -0.518) 1.140 10.213 ( 1.016 0.000 -0.518) 1.140 10.321 ( -7.002 0.000 3.102) 7.659 10.321 ( 7.002 0.000 3.102) 7.659 10.343 ( -2.305 0.000 1.611) 2.812 10.343 ( 2.305 0.000 1.611) 2.812 10.535 ( -4.049 0.000 1.387) 4.280 10.535 ( 4.049 0.000 1.387) 4.280 10.577 ( -7.806 0.000 -2.759) 8.279 10.577 ( 7.806 0.000 -2.759) 8.279 10.941 ( -6.117 0.000 -1.282) 6.250 10.941 ( 6.117 0.000 -1.282) 6.250 10.941 ( -3.669 0.000 -1.374) 3.918 10.941 ( 3.669 0.000 -1.374) 3.918 10.963 ( -3.747 0.000 -1.790) 4.153 10.963 ( 3.747 0.000 -1.790) 4.153 10.965 ( -1.335 0.000 -1.511) 2.017 10.965 ( 1.335 0.000 -1.511) 2.017 15.812 ( -1.933 0.000 2.582) 3.226 15.812 ( 1.933 0.000 2.582) 3.226 15.866 ( -2.704 0.000 -2.918) 3.978 15.866 ( 2.704 0.000 -2.918) 3.978 15.872 ( -1.303 0.000 4.638) 4.817 15.872 ( 1.303 0.000 4.638) 4.817 15.963 ( -1.266 0.000 -4.640) 4.810 15.963 ( 1.266 0.000 -4.640) 4.810 16.484 ( -4.882 0.000 0.456) 4.904 16.484 ( 4.882 0.000 0.456) 4.904 16.496 ( -7.712 0.000 -0.665) 7.741 16.496 ( 7.712 0.000 -0.665) 7.741 16.673 ( -5.794 0.000 1.742) 6.050 16.673 ( 5.794 0.000 1.742) 6.050 16.699 ( -7.948 0.000 -0.912) 8.000 16.699 ( 7.948 0.000 -0.912) 8.000 16.888 ( -0.643 0.000 0.327) 0.721 16.888 ( 0.643 0.000 0.327) 0.721 16.890 ( -0.599 0.000 0.221) 0.638 16.890 ( 0.599 0.000 0.221) 0.638 17.178 ( -2.755 0.000 -0.434) 2.789 17.178 ( 2.755 0.000 -0.434) 2.789 17.183 ( -3.124 0.000 -0.955) 3.267 17.183 ( 3.124 0.000 -0.955) 3.267 18.105 ( -0.093 0.000 1.087) 1.091 18.105 ( 0.093 0.000 1.087) 1.091 18.122 ( -0.273 0.000 -0.616) 0.674 18.122 ( 0.273 0.000 -0.616) 0.674 18.215 ( -0.174 0.000 0.500) 0.529 18.215 ( 0.174 0.000 0.500) 0.529 18.230 ( -1.027 0.000 -1.097) 1.503 18.230 ( 1.027 0.000 -1.097) 1.503 ======================= Grid point 63 (26/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 14.512 22.884) 27.097 1.307 ( 0.000 27.986 16.491) 32.483 1.534 ( 0.000 -20.625 18.035) 27.398 1.570 ( 0.000 16.928 -10.345) 19.839 1.609 ( 0.000 8.475 -17.903) 19.808 1.737 ( 0.000 -15.285 17.303) 23.087 1.890 ( 0.000 -12.505 -17.529) 21.533 1.912 ( 0.000 -8.157 -0.632) 8.182 2.030 ( 0.000 5.420 24.695) 25.283 2.184 ( 0.000 9.360 0.401) 9.369 2.237 ( 0.000 -17.289 -0.299) 17.292 2.271 ( 0.000 8.366 13.220) 15.644 2.288 ( 0.000 -0.485 -3.544) 3.577 2.432 ( 0.000 5.375 5.962) 8.028 2.496 ( 0.000 -20.380 12.303) 23.806 2.531 ( 0.000 -4.146 10.325) 11.126 2.583 ( 0.000 7.546 -10.973) 13.317 2.651 ( 0.000 -0.273 -0.274) 0.387 2.747 ( 0.000 -3.821 4.897) 6.211 2.759 ( 0.000 -0.587 -1.832) 1.923 2.789 ( 0.000 0.685 -8.856) 8.882 2.823 ( 0.000 -6.386 -0.510) 6.406 2.901 ( 0.000 1.637 -4.687) 4.965 2.955 ( 0.000 -4.601 -3.213) 5.612 3.044 ( 0.000 -0.560 3.418) 3.463 3.057 ( 0.000 -1.346 3.966) 4.189 3.097 ( 0.000 2.686 1.622) 3.137 3.131 ( 0.000 3.323 -2.660) 4.257 3.173 ( 0.000 -0.620 -3.995) 4.043 3.181 ( 0.000 -4.734 0.892) 4.817 3.252 ( 0.000 2.095 -5.004) 5.425 3.284 ( 0.000 0.075 -4.376) 4.376 3.335 ( 0.000 1.709 1.292) 2.142 3.355 ( 0.000 1.055 1.194) 1.594 3.430 ( 0.000 3.586 -8.761) 9.466 3.491 ( 0.000 -0.487 -8.921) 8.934 3.537 ( 0.000 4.105 3.628) 5.478 3.592 ( 0.000 -0.780 3.649) 3.731 3.600 ( 0.000 -3.888 5.521) 6.753 3.633 ( 0.000 -4.044 0.821) 4.126 3.707 ( 0.000 3.263 -4.852) 5.847 3.731 ( 0.000 -0.077 0.602) 0.607 3.739 ( 0.000 5.881 -0.857) 5.943 3.816 ( 0.000 -1.710 -3.905) 4.263 3.838 ( 0.000 -0.890 1.178) 1.476 3.850 ( 0.000 0.697 6.050) 6.090 3.943 ( 0.000 8.425 2.587) 8.813 3.977 ( 0.000 8.253 0.793) 8.291 3.989 ( 0.000 4.385 -8.239) 9.333 4.045 ( 0.000 -4.178 1.701) 4.511 4.095 ( 0.000 -1.861 -15.446) 15.557 4.101 ( 0.000 -1.520 -3.377) 3.704 4.177 ( 0.000 3.784 2.665) 4.628 4.228 ( 0.000 4.321 -0.735) 4.383 4.234 ( 0.000 -1.414 5.059) 5.253 4.333 ( 0.000 8.631 1.156) 8.708 4.336 ( 0.000 -3.537 -1.625) 3.892 4.398 ( 0.000 3.171 -1.864) 3.678 4.456 ( 0.000 -2.650 0.034) 2.650 4.479 ( 0.000 -3.790 2.326) 4.447 4.498 ( 0.000 -0.845 1.965) 2.139 4.535 ( 0.000 -5.440 4.484) 7.050 4.600 ( 0.000 0.187 2.544) 2.551 4.617 ( 0.000 -0.939 -4.437) 4.535 4.674 ( 0.000 1.136 2.321) 2.584 4.696 ( 0.000 0.929 -0.104) 0.935 4.704 ( 0.000 0.385 2.062) 2.097 4.711 ( 0.000 4.811 -1.041) 4.922 4.745 ( 0.000 -6.082 -4.747) 7.715 4.772 ( 0.000 -0.623 -2.222) 2.307 4.788 ( 0.000 -3.548 3.223) 4.794 4.834 ( 0.000 -6.626 0.483) 6.644 4.875 ( 0.000 8.466 2.348) 8.785 4.927 ( 0.000 5.356 -3.461) 6.377 5.014 ( 0.000 -5.823 1.318) 5.970 5.070 ( 0.000 -8.357 -2.783) 8.809 5.133 ( 0.000 2.663 2.400) 3.585 5.224 ( 0.000 2.846 -5.490) 6.184 5.237 ( 0.000 -7.744 1.226) 7.840 5.266 ( 0.000 -1.643 0.490) 1.714 5.320 ( 0.000 1.172 2.155) 2.453 5.326 ( 0.000 0.966 3.447) 3.580 5.343 ( 0.000 2.592 -1.232) 2.870 5.399 ( 0.000 -1.762 0.715) 1.901 5.436 ( 0.000 2.013 -2.409) 3.139 5.504 ( 0.000 -3.617 -4.093) 5.463 5.529 ( 0.000 2.633 -9.434) 9.795 5.550 ( 0.000 -1.321 -8.530) 8.632 5.583 ( 0.000 5.370 9.305) 10.743 5.729 ( 0.000 -7.527 3.511) 8.305 5.736 ( 0.000 3.567 -7.243) 8.074 5.802 ( 0.000 -2.716 0.712) 2.807 5.821 ( 0.000 1.675 6.886) 7.087 5.865 ( 0.000 -1.782 0.142) 1.787 5.907 ( 0.000 -0.457 -1.268) 1.347 5.944 ( 0.000 -1.849 -5.320) 5.632 6.063 ( 0.000 0.069 7.398) 7.399 6.066 ( 0.000 0.726 3.022) 3.108 6.114 ( 0.000 1.546 3.716) 4.024 6.129 ( 0.000 0.342 -0.683) 0.764 6.180 ( 0.000 2.022 -1.060) 2.283 6.205 ( 0.000 -0.837 -4.375) 4.454 6.238 ( 0.000 2.058 -3.607) 4.153 6.258 ( 0.000 -0.646 -5.084) 5.125 6.333 ( 0.000 4.661 1.591) 4.925 6.375 ( 0.000 0.480 2.047) 2.102 6.399 ( 0.000 6.041 -1.577) 6.243 6.411 ( 0.000 0.524 -0.053) 0.527 6.434 ( 0.000 -1.694 0.766) 1.860 6.501 ( 0.000 -4.653 1.884) 5.020 6.527 ( 0.000 0.738 -5.281) 5.332 6.572 ( 0.000 -1.190 -0.113) 1.195 6.582 ( 0.000 0.653 2.603) 2.684 6.605 ( 0.000 2.211 -0.574) 2.284 6.605 ( 0.000 -4.497 0.544) 4.530 6.641 ( 0.000 -1.414 -0.643) 1.554 6.714 ( 0.000 2.128 5.006) 5.439 6.747 ( 0.000 1.228 -0.687) 1.407 6.766 ( 0.000 -3.156 3.210) 4.502 6.786 ( 0.000 -2.963 1.712) 3.422 6.838 ( 0.000 4.539 -1.120) 4.675 6.859 ( 0.000 5.511 -1.080) 5.616 6.911 ( 0.000 -3.038 -0.684) 3.114 6.924 ( 0.000 -1.800 0.038) 1.801 6.963 ( 0.000 0.789 -0.268) 0.833 6.982 ( 0.000 4.263 -2.364) 4.874 7.019 ( 0.000 -4.733 3.326) 5.785 7.095 ( 0.000 -6.070 -2.951) 6.750 7.106 ( 0.000 2.370 3.585) 4.297 7.130 ( 0.000 2.906 1.274) 3.173 7.154 ( 0.000 -1.992 2.571) 3.252 7.164 ( 0.000 -2.854 2.488) 3.786 7.190 ( 0.000 2.266 -2.676) 3.507 7.232 ( 0.000 3.825 -6.160) 7.251 7.238 ( 0.000 0.728 3.181) 3.264 7.279 ( 0.000 -1.684 -1.179) 2.056 7.307 ( 0.000 -1.952 -2.955) 3.541 7.318 ( 0.000 -2.041 3.151) 3.754 7.367 ( 0.000 0.751 -7.291) 7.330 7.405 ( 0.000 -2.075 -4.982) 5.397 7.488 ( 0.000 3.391 3.240) 4.690 7.532 ( 0.000 3.782 2.065) 4.309 7.558 ( 0.000 -3.901 8.286) 9.158 7.563 ( 0.000 5.234 1.626) 5.480 7.612 ( 0.000 -4.785 1.555) 5.032 7.616 ( 0.000 2.649 -2.478) 3.628 7.657 ( 0.000 -5.840 0.545) 5.865 7.707 ( 0.000 -6.068 -4.168) 7.362 7.727 ( 0.000 1.875 3.473) 3.947 7.745 ( 0.000 0.255 4.601) 4.608 7.792 ( 0.000 4.514 -2.551) 5.185 7.841 ( 0.000 0.227 -3.367) 3.375 7.890 ( 0.000 0.913 0.288) 0.957 7.911 ( 0.000 -1.096 1.315) 1.712 7.916 ( 0.000 0.870 -2.311) 2.470 7.943 ( 0.000 -1.754 -1.500) 2.308 8.153 ( 0.000 0.921 6.362) 6.428 8.172 ( 0.000 -1.601 5.158) 5.401 8.260 ( 0.000 0.506 -3.901) 3.934 8.268 ( 0.000 -0.504 -5.538) 5.561 8.444 ( 0.000 6.243 2.164) 6.607 8.487 ( 0.000 4.299 -2.079) 4.775 8.545 ( 0.000 -1.865 1.052) 2.141 8.554 ( 0.000 -3.399 -0.253) 3.408 8.585 ( 0.000 0.868 2.954) 3.079 8.622 ( 0.000 2.624 -0.168) 2.629 8.640 ( 0.000 -1.743 4.007) 4.369 8.689 ( 0.000 -3.945 -0.334) 3.959 8.908 ( 0.000 -1.776 3.239) 3.693 8.924 ( 0.000 -1.519 0.310) 1.550 8.968 ( 0.000 0.429 -3.504) 3.531 8.985 ( 0.000 -2.415 -4.124) 4.779 9.146 ( 0.000 4.193 1.904) 4.605 9.203 ( 0.000 5.115 -3.480) 6.186 9.240 ( 0.000 -6.063 1.637) 6.280 9.290 ( 0.000 -5.097 -3.320) 6.083 9.428 ( 0.000 3.887 3.480) 5.217 9.462 ( 0.000 -0.038 3.729) 3.730 9.487 ( 0.000 2.699 -1.360) 3.022 9.517 ( 0.000 2.323 1.681) 2.867 9.535 ( 0.000 -2.262 -0.156) 2.268 9.542 ( 0.000 1.504 -2.136) 2.613 9.564 ( 0.000 -1.392 -1.152) 1.806 9.565 ( 0.000 -0.923 -3.008) 3.146 9.698 ( 0.000 0.330 4.197) 4.210 9.730 ( 0.000 -2.781 2.807) 3.951 9.770 ( 0.000 1.835 -2.285) 2.930 9.800 ( 0.000 -1.204 -4.404) 4.566 9.857 ( 0.000 3.770 2.617) 4.589 9.908 ( 0.000 4.276 -3.161) 5.318 9.928 ( 0.000 -3.596 4.649) 5.877 10.000 ( 0.000 -5.317 -2.813) 6.015 10.330 ( 0.000 0.391 5.455) 5.469 10.341 ( 0.000 -0.993 5.282) 5.375 10.396 ( 0.000 0.371 -1.014) 1.080 10.411 ( 0.000 -1.444 -0.889) 1.696 10.605 ( 0.000 8.431 2.275) 8.732 10.717 ( 0.000 7.153 -8.801) 11.341 10.746 ( 0.000 -6.760 1.835) 7.004 10.823 ( 0.000 -4.071 -5.703) 7.007 11.157 ( 0.000 2.614 1.884) 3.222 11.188 ( 0.000 3.198 -1.279) 3.444 11.210 ( 0.000 -3.031 1.966) 3.613 11.250 ( 0.000 -3.219 -2.200) 3.899 11.604 ( 0.000 7.234 4.059) 8.295 11.664 ( 0.000 5.273 -1.863) 5.592 11.725 ( 0.000 -5.214 0.854) 5.284 11.751 ( 0.000 -3.735 -1.396) 3.987 15.812 ( 0.000 4.853 3.298) 5.868 15.835 ( 0.000 4.075 0.328) 4.088 15.914 ( 0.000 -5.194 1.003) 5.290 15.920 ( 0.000 -3.185 0.178) 3.190 15.936 ( 0.000 0.576 -0.046) 0.578 15.945 ( 0.000 -0.366 0.353) 0.508 15.949 ( 0.000 -2.012 -1.027) 2.259 15.961 ( 0.000 -1.266 -1.245) 1.775 16.446 ( 0.000 2.019 7.539) 7.805 16.495 ( 0.000 -3.118 9.760) 10.246 16.575 ( 0.000 2.600 -4.472) 5.173 16.623 ( 0.000 -2.437 -2.808) 3.718 16.702 ( 0.000 0.984 2.730) 2.902 16.731 ( 0.000 -1.709 4.349) 4.672 16.775 ( 0.000 2.542 -4.114) 4.836 16.812 ( 0.000 -1.265 -3.609) 3.825 16.858 ( 0.000 2.927 -0.190) 2.934 16.902 ( 0.000 1.356 -3.622) 3.868 16.913 ( 0.000 -3.045 0.924) 3.183 16.973 ( 0.000 -6.224 -4.385) 7.614 17.698 ( 0.000 6.621 1.384) 6.764 17.743 ( 0.000 8.296 -3.750) 9.105 17.806 ( 0.000 -4.770 1.657) 5.050 17.855 ( 0.000 -3.810 -3.598) 5.240 18.040 ( 0.000 0.237 0.873) 0.904 18.046 ( 0.000 -0.303 0.879) 0.930 18.068 ( 0.000 0.006 -1.984) 1.984 18.069 ( 0.000 -0.077 -1.585) 1.587 18.210 ( 0.000 0.058 2.586) 2.587 18.213 ( 0.000 -0.170 3.172) 3.177 18.251 ( 0.000 1.065 -1.682) 1.991 18.271 ( 0.000 -0.954 -2.976) 3.125 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.310 12.264 19.578) 23.139 1.422 ( 4.044 17.250 2.073) 17.838 1.468 ( -2.379 -20.709 15.211) 25.805 1.593 ( 8.181 13.590 -1.665) 15.949 1.690 ( -1.106 -10.037 -6.283) 11.893 1.787 ( 7.711 5.455 2.117) 9.679 1.896 ( 2.684 -3.481 -1.465) 4.634 2.027 ( 5.102 -3.610 1.300) 6.384 2.109 ( 7.997 5.246 17.116) 19.606 2.207 ( 2.079 5.211 1.619) 5.839 2.268 ( 2.893 5.772 7.622) 9.989 2.308 ( 3.245 -8.338 2.677) 9.339 2.339 ( 4.908 -5.251 -2.897) 7.750 2.395 ( -0.577 1.259 5.592) 5.761 2.502 ( -0.563 -3.762 11.556) 12.166 2.548 ( 1.841 0.609 -4.311) 4.727 2.615 ( 3.379 -5.411 3.306) 7.185 2.664 ( -2.940 -3.360 -3.977) 5.979 2.728 ( 0.772 3.497 2.106) 4.155 2.774 ( 2.053 -2.223 -3.549) 4.664 2.790 ( 3.011 -0.449 -3.944) 4.982 2.862 ( 1.843 -4.561 1.298) 5.087 2.906 ( 0.561 -0.611 -1.637) 1.835 2.965 ( -0.743 -4.024 -3.135) 5.155 3.047 ( -0.451 1.405 2.354) 2.778 3.062 ( -0.418 0.851 1.856) 2.085 3.111 ( 0.572 1.078 4.470) 4.633 3.120 ( -0.274 -1.418 1.917) 2.400 3.166 ( 0.446 -2.355 -4.467) 5.069 3.209 ( 1.443 -3.541 0.197) 3.829 3.269 ( -1.025 2.404 -5.935) 6.485 3.281 ( 2.450 0.319 -4.994) 5.572 3.326 ( -0.628 2.790 1.419) 3.193 3.396 ( 1.580 0.393 -1.872) 2.481 3.420 ( -0.219 1.583 -8.426) 8.576 3.471 ( -1.363 -3.730 -6.361) 7.499 3.541 ( 0.573 2.344 2.767) 3.672 3.577 ( -1.463 0.065 3.501) 3.795 3.604 ( -0.297 -4.044 4.853) 6.324 3.629 ( 0.265 -4.068 0.675) 4.132 3.724 ( 0.750 3.979 -2.914) 4.989 3.742 ( -0.230 6.372 0.943) 6.445 3.777 ( 3.330 -1.105 1.738) 3.915 3.845 ( 1.666 -1.754 -4.298) 4.932 3.869 ( 2.532 -0.239 0.745) 2.650 3.896 ( 3.140 1.701 6.397) 7.326 3.915 ( -2.741 1.871 3.923) 5.139 3.939 ( -0.118 3.894 0.424) 3.919 3.993 ( 0.337 4.868 -6.195) 7.885 4.042 ( 0.911 -1.405 -5.540) 5.788 4.103 ( -0.955 0.752 -4.679) 4.834 4.132 ( 1.440 -2.847 -8.588) 9.162 4.203 ( 1.954 5.849 0.989) 6.246 4.238 ( 0.663 5.270 -1.002) 5.405 4.246 ( 0.459 0.334 3.284) 3.332 4.305 ( -0.492 5.451 -2.822) 6.158 4.365 ( -1.434 0.772 0.795) 1.812 4.379 ( 0.378 0.457 -2.156) 2.236 4.418 ( -2.129 -4.833 2.109) 5.687 4.455 ( -2.700 2.009 4.259) 5.428 4.484 ( -0.265 -5.118 -2.629) 5.760 4.498 ( -2.528 -5.098 5.688) 8.046 4.584 ( -2.271 -1.573 -1.914) 3.361 4.616 ( 0.512 -2.984 -2.698) 4.055 4.641 ( -2.185 0.966 4.354) 4.967 4.674 ( -3.570 -1.434 0.540) 3.885 4.686 ( 1.001 4.009 3.842) 5.642 4.708 ( -0.942 2.175 -0.466) 2.416 4.734 ( 1.048 -1.395 -3.500) 3.911 4.794 ( 1.532 0.160 -0.580) 1.646 4.800 ( 0.824 -1.380 1.033) 1.911 4.859 ( 0.321 -1.191 0.312) 1.272 4.906 ( 2.295 4.457 -1.804) 5.329 4.954 ( 2.862 3.193 -3.507) 5.539 5.031 ( -0.294 -3.829 -1.668) 4.187 5.042 ( -1.405 -6.888 -2.044) 7.321 5.176 ( 1.819 -0.605 2.137) 2.871 5.181 ( -1.191 -0.670 1.206) 1.823 5.223 ( -2.464 2.000 -2.656) 4.138 5.259 ( 0.580 0.181 -2.099) 2.185 5.304 ( -1.713 2.329 1.445) 3.233 5.317 ( 0.080 3.725 3.388) 5.036 5.349 ( 1.035 0.142 -2.497) 2.707 5.372 ( -1.500 -0.297 -1.164) 1.922 5.432 ( -0.416 1.396 1.249) 1.919 5.502 ( 1.003 -6.161 1.267) 6.370 5.555 ( 0.926 2.598 -7.805) 8.278 5.565 ( -0.381 3.062 2.474) 3.955 5.601 ( 0.793 -3.625 -2.794) 4.645 5.643 ( -5.092 -2.612 1.671) 5.961 5.707 ( -3.276 -1.379 -4.370) 5.633 5.724 ( -7.156 -0.724 -3.465) 7.984 5.785 ( -0.938 -1.079 6.522) 6.677 5.829 ( -1.896 -3.531 1.178) 4.177 5.888 ( -0.205 2.112 -3.090) 3.748 5.916 ( -1.231 -1.955 -4.504) 5.062 6.049 ( -2.191 1.121 5.714) 6.222 6.060 ( -2.388 -0.140 2.595) 3.529 6.124 ( -1.965 3.376 -1.842) 4.319 6.157 ( -1.482 0.836 0.305) 1.728 6.168 ( 2.332 -0.593 4.279) 4.909 6.181 ( 2.630 -0.514 0.521) 2.730 6.265 ( 1.589 2.314 -4.773) 5.537 6.285 ( -0.823 -0.247 -2.541) 2.682 6.309 ( -2.282 2.893 2.614) 4.518 6.343 ( -3.263 3.713 0.190) 4.946 6.392 ( -2.156 -0.751 3.423) 4.115 6.413 ( -2.864 -4.788 1.711) 5.836 6.472 ( -0.900 0.902 -1.175) 1.733 6.475 ( 0.289 0.195 -1.264) 1.311 6.518 ( 3.322 -1.539 -2.987) 4.725 6.540 ( -1.023 -4.363 -2.124) 4.959 6.572 ( -1.201 1.845 2.586) 3.396 6.600 ( -1.441 -0.963 2.873) 3.355 6.605 ( -0.408 1.668 -1.932) 2.585 6.645 ( 0.246 -2.705 -1.963) 3.351 6.684 ( -1.402 2.039 5.615) 6.136 6.737 ( -1.502 -2.524 4.346) 5.246 6.779 ( 2.241 0.829 -2.321) 3.332 6.791 ( 0.831 0.176 -0.096) 0.855 6.863 ( 0.591 3.038 1.328) 3.368 6.891 ( 3.320 5.441 -0.612) 6.404 6.910 ( -0.077 -2.246 0.009) 2.247 6.933 ( 0.093 -0.437 -0.684) 0.817 6.950 ( -2.956 3.278 -1.295) 4.600 6.988 ( 0.997 3.142 -2.302) 4.021 7.033 ( 0.330 0.488 -1.137) 1.281 7.076 ( 1.477 -0.924 -2.217) 2.819 7.094 ( -3.364 -2.041 3.241) 5.098 7.111 ( -1.825 -2.131 1.812) 3.340 7.139 ( 1.111 -0.055 -0.226) 1.135 7.167 ( 1.700 -3.537 0.846) 4.015 7.184 ( 0.670 -0.335 -0.186) 0.772 7.211 ( 0.382 -3.150 -2.085) 3.796 7.231 ( -1.794 -0.036 -4.555) 4.895 7.261 ( -2.753 -2.880 -4.288) 5.853 7.322 ( 3.363 2.876 1.356) 4.628 7.351 ( 3.180 1.350 1.113) 3.630 7.394 ( 1.622 1.440 -2.768) 3.517 7.431 ( 1.783 -1.417 -4.396) 4.951 7.496 ( -0.221 2.765 3.512) 4.476 7.535 ( 0.140 1.803 2.153) 2.812 7.555 ( -0.477 -1.209 4.221) 4.416 7.617 ( -1.319 -4.068 -0.893) 4.369 7.638 ( 4.669 3.289 2.324) 6.166 7.673 ( 5.312 1.322 -0.934) 5.553 7.708 ( 5.107 -3.564 1.473) 6.399 7.730 ( 2.513 -3.548 -0.481) 4.374 7.759 ( 2.569 2.444 3.685) 5.114 7.788 ( 3.756 -0.602 2.194) 4.392 7.824 ( 3.070 1.853 -0.951) 3.710 7.859 ( 1.020 -0.736 -2.247) 2.575 7.899 ( 1.025 1.135 0.715) 1.688 7.914 ( 0.520 0.238 0.457) 0.732 7.929 ( 1.578 -0.053 -0.617) 1.695 7.954 ( 1.120 -1.632 -1.670) 2.589 8.109 ( -3.274 1.604 5.651) 6.725 8.142 ( -2.324 -2.431 4.093) 5.297 8.216 ( -3.994 -0.332 -4.786) 6.243 8.218 ( -3.353 -0.425 -3.853) 5.126 8.420 ( -1.798 6.519 2.188) 7.108 8.457 ( -1.938 5.180 -1.497) 5.729 8.537 ( -1.318 -4.888 0.748) 5.117 8.553 ( -0.857 -5.539 -0.825) 5.666 8.637 ( 4.153 1.894 4.326) 6.289 8.657 ( 1.972 0.606 3.345) 3.930 8.675 ( 2.818 2.405 0.959) 3.827 8.719 ( 3.037 -3.096 -1.044) 4.460 8.920 ( 0.894 0.187 1.876) 2.087 8.950 ( 2.296 -2.020 0.129) 3.061 8.977 ( 0.498 -0.008 -2.884) 2.927 8.989 ( 0.609 -2.219 -3.092) 3.854 9.160 ( 0.765 4.328 1.271) 4.575 9.201 ( -0.712 3.901 -1.976) 4.430 9.247 ( -0.018 -2.591 0.349) 2.614 9.287 ( -0.426 -4.120 -3.166) 5.213 9.418 ( -0.254 1.656 2.685) 3.165 9.443 ( -0.904 -0.737 3.147) 3.357 9.477 ( -1.252 2.456 -2.569) 3.768 9.505 ( -0.946 -0.195 -2.126) 2.335 9.546 ( 0.503 0.150 0.540) 0.753 9.560 ( 2.037 2.790 -1.250) 3.674 9.582 ( 2.374 -2.312 1.403) 3.599 9.617 ( 3.513 -1.708 -2.067) 4.419 9.688 ( -1.252 1.474 5.402) 5.738 9.702 ( 0.222 -0.774 5.009) 5.073 9.782 ( 0.319 3.271 -3.857) 5.067 9.821 ( 1.788 -0.963 -6.017) 6.351 9.853 ( 0.373 3.088 2.998) 4.320 9.894 ( -0.337 2.841 -1.522) 3.241 9.938 ( 0.711 -4.211 2.819) 5.118 9.992 ( -0.905 -6.058 -2.433) 6.591 10.321 ( 0.157 2.256 5.300) 5.762 10.369 ( 1.519 -2.843 5.154) 6.079 10.390 ( 0.036 2.046 -1.367) 2.461 10.435 ( 1.594 -3.105 -0.739) 3.567 10.620 ( 0.814 6.796 2.124) 7.167 10.717 ( -1.146 0.923 -3.828) 4.101 10.745 ( -0.275 -2.008 -3.220) 3.805 10.796 ( -2.767 -2.815 -4.780) 6.199 11.121 ( -3.675 2.939 2.199) 5.194 11.142 ( -3.648 3.703 0.497) 5.222 11.186 ( -2.595 -2.839 1.340) 4.073 11.228 ( -2.354 -4.346 -2.537) 5.555 11.529 ( -6.986 5.726 2.308) 9.323 11.578 ( -7.894 4.454 -1.855) 9.252 11.626 ( -9.110 -4.341 0.477) 10.103 11.650 ( -9.018 -2.964 -1.443) 9.602 15.794 ( -1.449 4.241 3.626) 5.765 15.822 ( -0.865 3.757 0.140) 3.858 15.890 ( -2.837 -4.673 2.414) 5.976 15.910 ( -1.392 -4.959 -0.068) 5.152 15.929 ( -0.207 0.051 0.437) 0.486 15.949 ( 1.137 0.240 -1.492) 1.891 15.951 ( -0.969 -1.644 -0.486) 1.970 15.957 ( 0.923 -0.511 -1.087) 1.515 16.351 ( -5.684 5.258 5.380) 9.428 16.417 ( -5.348 3.807 0.811) 6.615 16.466 ( -5.926 -4.463 4.009) 8.433 16.520 ( -5.301 -4.296 0.528) 6.844 16.748 ( 2.511 2.574 1.547) 3.915 16.757 ( 1.193 1.668 0.261) 2.067 16.797 ( 0.991 -0.503 -1.374) 1.767 16.810 ( 0.640 -1.025 -2.174) 2.487 16.932 ( 2.283 1.365 -1.444) 3.027 16.936 ( 3.549 0.984 -2.028) 4.204 16.954 ( 1.430 -1.622 0.266) 2.179 16.990 ( -0.164 -3.952 -3.007) 4.969 17.607 ( -8.250 4.269 3.119) 9.799 17.640 ( -8.758 2.303 1.801) 9.233 17.730 ( -7.910 -1.383 -4.361) 9.138 17.752 ( -9.156 -2.343 -4.540) 10.485 18.062 ( 1.535 0.799 0.199) 1.742 18.077 ( 1.579 -0.132 -0.817) 1.782 18.081 ( 1.019 -0.278 -0.868) 1.367 18.089 ( 1.561 -0.606 -1.239) 2.083 18.204 ( 0.048 0.318 2.271) 2.294 18.210 ( 0.065 -0.258 2.626) 2.639 18.240 ( -0.572 0.991 -1.440) 1.839 18.259 ( -0.586 -0.945 -2.582) 2.812 ======================= Grid point 65 (28/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 11.307 3.983 13.960) 18.401 1.498 ( 5.121 -15.951 9.663) 19.340 1.538 ( 7.871 3.967 -8.019) 11.916 1.677 ( 1.355 -11.560 -7.463) 13.826 1.821 ( 11.381 11.261 6.804) 17.397 1.934 ( 6.585 1.428 14.953) 16.401 2.004 ( 6.786 11.905 -5.020) 14.594 2.134 ( 6.151 0.132 0.168) 6.155 2.222 ( 2.267 6.474 11.476) 13.370 2.275 ( 2.469 4.047 2.836) 5.524 2.347 ( 1.513 -5.093 2.412) 5.835 2.380 ( 5.030 -3.266 1.066) 6.091 2.431 ( 5.987 -2.414 -0.847) 6.510 2.507 ( 1.227 7.396 0.813) 7.541 2.512 ( 6.817 3.118 4.672) 8.833 2.582 ( 1.417 -4.016 1.615) 4.555 2.607 ( -0.801 -4.766 0.363) 4.846 2.666 ( 0.977 -6.756 5.485) 8.757 2.737 ( 0.838 7.589 -0.111) 7.636 2.821 ( 0.346 -0.407 -4.313) 4.346 2.854 ( 0.955 1.911 -2.926) 3.623 2.885 ( 0.531 0.280 -2.822) 2.886 2.929 ( 0.324 -2.371 -1.192) 2.674 2.929 ( -1.341 -4.006 -1.106) 4.367 3.010 ( -0.988 7.436 1.729) 7.698 3.064 ( 0.395 3.122 -2.539) 4.043 3.110 ( -1.238 0.286 2.825) 3.097 3.122 ( -0.410 -4.240 3.675) 5.625 3.183 ( 0.424 -0.892 -0.338) 1.044 3.239 ( 1.611 -1.208 -2.974) 3.591 3.267 ( -0.666 -5.088 1.495) 5.344 3.309 ( 2.153 -2.957 -1.600) 3.993 3.324 ( 1.027 -0.349 0.962) 1.449 3.365 ( -4.110 -0.798 -3.043) 5.176 3.406 ( -1.643 -0.298 -5.443) 5.694 3.472 ( 1.166 -5.171 -3.818) 6.532 3.532 ( -2.013 -1.498 3.283) 4.132 3.542 ( -1.688 -1.899 4.816) 5.445 3.595 ( -0.909 -1.649 3.500) 3.974 3.632 ( -0.369 -3.811 -0.313) 3.841 3.712 ( -0.378 6.814 1.595) 7.009 3.750 ( 2.450 2.368 -0.374) 3.428 3.824 ( -1.805 0.021 2.257) 2.890 3.838 ( 1.979 -0.974 2.818) 3.579 3.883 ( 0.420 3.273 -0.548) 3.345 3.937 ( 1.936 1.075 -0.864) 2.377 3.954 ( 0.770 -1.293 -3.987) 4.262 3.966 ( -0.274 -1.930 -3.723) 4.202 4.011 ( 2.403 -1.002 0.469) 2.645 4.019 ( -3.060 -3.572 -1.649) 4.985 4.096 ( 1.072 2.920 -3.189) 4.455 4.132 ( -1.458 -0.207 -5.725) 5.911 4.199 ( -1.434 2.056 1.473) 2.908 4.224 ( -1.474 0.872 -0.251) 1.731 4.264 ( -1.943 1.199 -0.652) 2.374 4.280 ( -1.437 -1.141 -1.201) 2.193 4.359 ( 4.949 7.377 0.853) 8.924 4.372 ( -3.356 0.868 0.749) 3.546 4.388 ( -0.373 3.144 -0.228) 3.175 4.441 ( -0.243 -0.495 -1.002) 1.144 4.453 ( -1.918 -0.949 -0.446) 2.186 4.484 ( 1.661 -2.698 -0.328) 3.185 4.543 ( -0.178 -2.811 -4.174) 5.035 4.549 ( -3.997 -1.623 -4.666) 6.355 4.650 ( 1.099 1.803 3.209) 3.842 4.671 ( 1.423 -1.626 2.617) 3.394 4.703 ( 1.841 2.628 2.739) 4.218 4.732 ( 1.339 -0.255 1.729) 2.202 4.748 ( 0.900 0.321 -0.273) 0.994 4.800 ( 0.206 -2.525 3.824) 4.587 4.834 ( 1.468 1.740 -0.803) 2.413 4.866 ( 0.817 -1.915 -2.005) 2.891 4.920 ( -0.525 5.910 -2.645) 6.496 4.984 ( -0.861 -1.707 -0.324) 1.939 4.991 ( -0.043 1.279 -3.755) 3.967 5.068 ( 1.502 -5.871 -6.486) 8.877 5.156 ( -3.467 8.504 0.493) 9.197 5.178 ( -0.723 4.480 -1.333) 4.730 5.212 ( 1.647 2.852 3.806) 5.033 5.254 ( 0.509 -3.831 2.016) 4.358 5.299 ( 1.395 2.861 0.515) 3.224 5.334 ( 0.027 1.817 1.226) 2.192 5.344 ( 0.498 0.310 -1.498) 1.609 5.373 ( -0.639 -3.740 -2.625) 4.614 5.447 ( -1.197 -0.276 3.136) 3.368 5.494 ( -3.245 -2.419 2.835) 4.942 5.516 ( -3.714 -0.917 -2.321) 4.475 5.540 ( 1.974 0.299 4.393) 4.826 5.553 ( -3.278 -0.999 -1.895) 3.915 5.597 ( 3.218 -5.832 1.014) 6.738 5.664 ( 0.896 1.699 -7.051) 7.308 5.706 ( 1.913 -1.301 -5.091) 5.592 5.793 ( 1.082 -1.687 3.343) 3.897 5.807 ( -0.688 -2.512 4.717) 5.388 5.873 ( -1.485 0.222 -4.156) 4.419 5.894 ( -0.762 -2.054 -4.321) 4.845 6.011 ( -1.721 0.916 3.120) 3.679 6.013 ( -1.217 1.313 5.147) 5.449 6.082 ( -1.426 1.919 -1.572) 2.861 6.113 ( -2.288 -0.720 -2.021) 3.136 6.141 ( -3.546 1.847 2.758) 4.857 6.179 ( -4.588 -1.454 1.402) 5.013 6.212 ( -2.436 0.711 -2.193) 3.354 6.229 ( -2.783 0.153 -1.298) 3.075 6.277 ( -2.951 4.468 1.511) 5.563 6.288 ( -2.162 2.791 -0.213) 3.537 6.331 ( -1.493 -0.540 3.210) 3.582 6.378 ( -2.631 -4.865 -0.477) 5.552 6.426 ( -3.209 -0.292 2.514) 4.087 6.472 ( -2.275 -3.685 3.063) 5.305 6.492 ( -2.355 2.479 -3.011) 4.557 6.530 ( -2.928 -0.252 0.531) 2.987 6.575 ( 0.596 0.324 1.251) 1.423 6.593 ( -0.130 -1.298 0.572) 1.424 6.604 ( 2.349 -0.064 -1.020) 2.562 6.653 ( 2.315 -3.712 -2.349) 4.966 6.670 ( -1.174 0.964 4.784) 5.020 6.703 ( -1.974 -2.307 3.938) 4.972 6.791 ( -1.101 1.174 -2.892) 3.310 6.813 ( -1.543 -0.847 -6.353) 6.593 6.834 ( -1.353 3.720 -0.933) 4.067 6.873 ( -2.078 3.352 -3.280) 5.129 6.902 ( -0.702 -3.346 0.261) 3.429 6.930 ( -0.827 -2.187 -2.089) 3.135 6.993 ( 1.915 3.289 2.575) 4.595 6.999 ( -0.362 3.651 4.080) 5.487 7.036 ( 1.381 2.007 0.308) 2.456 7.075 ( 2.410 3.936 0.016) 4.615 7.116 ( 3.712 -1.893 1.178) 4.330 7.137 ( 1.482 -3.570 -1.927) 4.319 7.152 ( 1.081 -2.251 -2.478) 3.518 7.184 ( 0.040 -2.409 -4.540) 5.140 7.209 ( 2.085 0.103 -0.697) 2.201 7.229 ( 1.759 -1.269 -1.378) 2.570 7.250 ( 2.252 -0.198 -2.883) 3.663 7.257 ( 1.720 -0.660 -2.332) 2.972 7.387 ( 3.035 2.937 1.934) 4.645 7.413 ( 2.269 1.982 1.712) 3.465 7.439 ( 2.485 1.885 1.076) 3.300 7.458 ( -0.253 0.812 0.668) 1.081 7.500 ( 1.887 -0.609 -1.128) 2.281 7.512 ( -1.841 -1.769 2.307) 3.441 7.538 ( -0.831 1.188 -1.948) 2.428 7.579 ( -1.919 -2.138 -2.595) 3.871 7.708 ( 0.968 3.125 2.819) 4.318 7.749 ( 0.302 2.396 -0.786) 2.540 7.758 ( 0.734 -0.750 -0.218) 1.072 7.776 ( -0.034 0.466 -1.608) 1.674 7.845 ( 4.434 -0.174 2.644) 5.165 7.868 ( 0.518 0.095 0.623) 0.816 7.888 ( 4.896 -1.272 1.900) 5.403 7.904 ( 2.923 -2.010 0.140) 3.550 7.936 ( 2.486 1.083 1.693) 3.196 7.955 ( 3.003 0.090 2.264) 3.761 7.977 ( 3.845 -1.028 -1.303) 4.188 8.003 ( 3.002 -2.260 -0.941) 3.874 8.059 ( -0.629 1.065 3.489) 3.702 8.096 ( -1.782 -3.934 2.330) 4.907 8.141 ( -2.563 -1.160 -3.355) 4.379 8.153 ( -2.572 -2.360 -2.154) 4.102 8.394 ( 0.148 6.032 2.120) 6.396 8.434 ( 0.287 5.467 -1.782) 5.757 8.501 ( -1.507 -5.085 1.050) 5.407 8.523 ( -0.929 -4.298 -1.127) 4.539 8.695 ( 0.750 3.980 2.485) 4.751 8.698 ( 1.371 4.025 1.807) 4.620 8.746 ( 3.873 -0.440 3.439) 5.199 8.782 ( 2.264 -3.298 0.237) 4.007 8.933 ( 0.236 2.543 0.195) 2.561 8.967 ( -1.137 1.813 -2.821) 3.541 9.000 ( 1.502 -3.737 -0.158) 4.031 9.012 ( 0.910 -3.205 -1.094) 3.506 9.138 ( -2.815 4.500 0.357) 5.320 9.167 ( -2.546 5.268 -2.242) 6.266 9.216 ( -2.359 -3.134 1.711) 4.280 9.267 ( -2.453 -4.397 -3.652) 6.220 9.422 ( -0.135 1.530 1.979) 2.505 9.428 ( 0.403 0.486 1.661) 1.777 9.462 ( 0.320 1.136 -1.395) 1.827 9.481 ( -0.631 -0.391 -2.979) 3.070 9.573 ( 1.338 1.595 2.916) 3.583 9.606 ( 1.642 0.759 0.659) 1.925 9.641 ( 2.354 -2.613 1.122) 3.692 9.674 ( 1.152 -2.856 -0.717) 3.162 9.710 ( 4.132 3.731 2.768) 6.217 9.754 ( 3.413 1.263 3.157) 4.817 9.795 ( 2.939 4.150 -1.979) 5.456 9.856 ( 2.442 0.503 -2.665) 3.649 9.901 ( 4.334 0.921 1.177) 4.585 9.943 ( 3.788 -2.049 -0.950) 4.410 9.967 ( 3.035 -4.285 0.843) 5.318 9.969 ( 0.138 -6.101 -0.105) 6.103 10.334 ( 0.723 4.040 4.456) 6.058 10.391 ( -0.052 3.329 -0.865) 3.440 10.403 ( 1.438 -2.604 4.216) 5.159 10.467 ( 1.112 -4.297 -0.944) 4.538 10.618 ( -1.330 4.197 0.118) 4.404 10.658 ( -4.316 0.605 -2.516) 5.032 10.701 ( -5.047 -1.284 -2.494) 5.775 10.717 ( -2.801 -2.428 -3.520) 5.112 11.004 ( -6.808 4.619 4.719) 9.484 11.054 ( -4.737 3.418 -0.131) 5.843 11.099 ( -5.853 -3.857 2.127) 7.326 11.143 ( -5.644 -4.405 -0.935) 7.221 11.327 ( -11.788 2.712 -0.368) 12.101 11.361 ( -12.023 2.291 -2.123) 12.422 11.377 ( -13.176 -1.216 -0.538) 13.243 11.411 ( -12.846 -1.828 -3.059) 13.331 15.770 ( -0.416 2.620 3.712) 4.562 15.812 ( -0.044 2.090 0.435) 2.135 15.829 ( -1.716 -1.421 3.267) 3.954 15.888 ( -0.542 -3.632 -1.356) 3.915 15.920 ( -1.264 -1.108 0.638) 1.798 15.926 ( -0.969 -1.139 2.011) 2.506 15.963 ( 0.039 0.852 -3.433) 3.537 15.982 ( 0.706 -1.150 -3.600) 3.845 16.300 ( 0.920 5.576 2.692) 6.260 16.339 ( -0.634 5.799 -0.705) 5.876 16.405 ( -0.635 -5.432 3.616) 6.557 16.442 ( -1.170 -4.785 0.415) 4.943 16.781 ( 0.621 2.049 1.235) 2.471 16.789 ( 1.117 1.504 0.664) 1.988 16.820 ( 1.205 0.001 -0.780) 1.435 16.831 ( 0.960 -0.612 -1.166) 1.630 16.931 ( -3.780 -0.086 -0.327) 3.795 16.935 ( -2.812 -0.490 0.265) 2.867 16.946 ( -2.710 0.394 -1.846) 3.302 16.966 ( -0.812 -1.180 -2.450) 2.838 17.389 ( -11.204 1.263 5.466) 12.530 17.411 ( -11.930 -1.059 5.054) 13.000 17.510 ( -11.452 0.278 -6.704) 13.273 17.518 ( -11.898 -0.507 -5.617) 13.167 18.088 ( 0.906 0.536 0.092) 1.057 18.097 ( 0.416 -0.327 0.221) 0.573 18.098 ( 0.738 0.404 -0.873) 1.212 18.109 ( 0.392 -0.630 -0.938) 1.196 18.214 ( 0.405 0.046 1.339) 1.400 18.216 ( 0.301 -0.136 1.891) 1.920 18.237 ( 0.069 0.987 -1.095) 1.476 18.257 ( 0.077 -1.022 -2.473) 2.677 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 11.529 -0.899 10.343) 15.515 1.646 ( 7.888 -9.935 5.410) 13.791 1.718 ( 7.438 -3.772 -5.680) 10.091 1.739 ( 3.500 -6.241 -3.189) 7.833 2.034 ( 8.381 7.430 4.929) 12.237 2.081 ( 6.557 1.914 14.109) 15.676 2.137 ( 5.089 10.144 -4.236) 12.114 2.229 ( 0.349 4.822 -1.842) 5.174 2.291 ( 2.941 4.299 5.879) 7.855 2.324 ( 4.389 2.627 2.475) 5.682 2.366 ( 1.801 0.458 1.819) 2.601 2.398 ( -0.897 -1.831 -0.466) 2.092 2.521 ( -0.201 0.284 0.646) 0.734 2.535 ( 1.222 0.660 -1.328) 1.922 2.582 ( 0.731 -4.071 3.523) 5.433 2.609 ( 1.276 -4.400 3.391) 5.700 2.641 ( 2.438 -1.020 3.208) 4.156 2.664 ( 0.577 -2.775 6.125) 6.749 2.787 ( -0.059 3.706 -0.489) 3.739 2.829 ( -0.130 -0.777 -3.352) 3.444 2.858 ( 1.525 2.881 -2.674) 4.216 2.875 ( -1.611 2.555 -0.201) 3.027 2.899 ( -0.551 -0.588 -5.687) 5.744 2.914 ( 1.224 -0.048 -1.183) 1.703 2.999 ( -1.889 5.377 2.130) 6.084 3.049 ( -0.645 3.175 -1.881) 3.746 3.083 ( -0.720 -3.201 0.020) 3.281 3.106 ( -0.370 -2.455 -0.888) 2.637 3.164 ( -2.084 1.044 5.753) 6.207 3.184 ( -4.944 -0.209 1.395) 5.142 3.219 ( -7.773 -2.729 -1.590) 8.390 3.276 ( -2.700 -4.263 -1.182) 5.183 3.339 ( 0.321 0.030 3.261) 3.276 3.363 ( 2.429 -4.600 -1.348) 5.373 3.406 ( 0.964 2.150 -3.366) 4.109 3.462 ( -2.524 -0.546 3.862) 4.646 3.490 ( -3.485 -1.895 -2.851) 4.885 3.518 ( 1.446 -3.283 4.136) 5.475 3.562 ( -0.796 2.407 -1.012) 2.730 3.624 ( -3.195 -3.705 -2.702) 5.588 3.753 ( 4.135 7.406 0.885) 8.528 3.792 ( 2.499 6.284 -1.192) 6.867 3.852 ( 2.207 -1.183 3.219) 4.078 3.868 ( 1.752 1.766 0.454) 2.529 3.886 ( 0.508 0.855 -1.718) 1.985 3.940 ( 1.902 -4.921 -0.392) 5.290 3.964 ( -0.158 -1.062 -1.964) 2.239 3.971 ( 1.016 -6.377 0.551) 6.481 4.010 ( 2.839 0.381 0.649) 2.937 4.048 ( 1.259 -1.310 -0.416) 1.864 4.087 ( -0.669 -1.141 -5.565) 5.720 4.092 ( -2.933 -1.929 -3.828) 5.194 4.175 ( -1.858 3.856 1.606) 4.572 4.194 ( -0.674 1.608 0.203) 1.756 4.229 ( -3.981 -2.796 3.018) 5.725 4.266 ( 0.063 -4.170 0.076) 4.171 4.322 ( -3.406 0.532 -0.269) 3.458 4.328 ( 0.394 -0.204 -1.212) 1.291 4.377 ( -2.131 2.713 -4.404) 5.594 4.429 ( -1.991 -0.984 -5.232) 5.684 4.494 ( 5.354 5.455 0.003) 7.643 4.536 ( 3.641 2.134 -3.424) 5.435 4.559 ( 1.056 -0.641 0.175) 1.247 4.573 ( 4.008 -1.106 -0.588) 4.199 4.666 ( 0.892 0.416 3.673) 3.803 4.700 ( 1.018 -3.548 2.103) 4.248 4.735 ( 0.775 0.659 -1.471) 1.788 4.738 ( -0.123 1.040 0.509) 1.165 4.769 ( -0.934 1.092 3.563) 3.842 4.802 ( 0.482 0.153 2.426) 2.478 4.861 ( 1.662 -3.072 1.658) 3.866 4.871 ( -0.733 1.704 -0.097) 1.858 4.935 ( 1.254 0.039 -4.142) 4.328 4.956 ( -2.096 -0.283 -2.215) 3.063 4.978 ( -1.134 -0.908 -3.092) 3.416 5.032 ( -3.457 -3.215 -6.173) 7.771 5.146 ( 2.125 5.083 3.299) 6.421 5.186 ( 1.246 5.333 0.627) 5.513 5.227 ( 0.348 0.833 3.076) 3.206 5.271 ( -0.196 1.030 -0.822) 1.332 5.305 ( -1.559 2.831 1.147) 3.429 5.322 ( -2.171 -1.818 -1.390) 3.155 5.340 ( -0.970 -3.279 2.322) 4.134 5.367 ( 2.313 1.304 2.991) 4.000 5.381 ( -4.604 -0.205 1.267) 4.779 5.446 ( 0.979 2.971 -1.447) 3.446 5.486 ( -0.635 -2.789 1.393) 3.181 5.501 ( -1.493 -2.438 0.549) 2.911 5.612 ( 2.532 0.140 1.997) 3.227 5.668 ( 1.479 -3.440 2.165) 4.325 5.697 ( 0.090 1.281 -4.489) 4.669 5.744 ( 1.233 0.148 -3.565) 3.775 5.795 ( 1.572 2.482 0.927) 3.081 5.828 ( -0.740 1.758 -1.633) 2.511 5.857 ( 3.255 -4.170 1.953) 5.639 5.909 ( 3.710 -5.359 -0.964) 6.589 5.976 ( -2.135 4.695 2.712) 5.827 6.001 ( 0.318 2.827 -0.156) 2.849 6.054 ( -1.628 1.110 -0.300) 1.993 6.069 ( -1.087 1.594 -3.293) 3.817 6.084 ( -1.845 -1.320 4.260) 4.827 6.116 ( -1.101 -1.616 2.408) 3.103 6.161 ( -3.322 1.355 -2.317) 4.271 6.181 ( -1.964 0.641 -3.075) 3.704 6.239 ( 0.580 0.841 1.389) 1.724 6.270 ( -0.843 3.387 -0.885) 3.601 6.294 ( -1.276 -2.816 2.159) 3.771 6.334 ( -0.444 -3.273 -1.205) 3.516 6.367 ( -1.106 0.110 1.860) 2.167 6.418 ( -1.830 -1.891 -0.060) 2.632 6.426 ( -1.032 -1.498 -0.101) 1.822 6.456 ( -2.410 -2.291 -0.356) 3.344 6.559 ( -3.838 1.436 2.387) 4.742 6.585 ( -2.289 1.840 -1.058) 3.121 6.603 ( -5.646 -0.756 1.963) 6.025 6.644 ( -4.094 -2.988 -0.846) 5.138 6.667 ( 2.667 0.942 1.414) 3.163 6.695 ( 1.044 -2.278 -1.998) 3.205 6.735 ( -2.744 0.318 -3.899) 4.778 6.752 ( -2.112 -1.177 -4.193) 4.840 6.842 ( 1.176 3.769 -0.438) 3.973 6.857 ( 0.627 2.985 -1.523) 3.409 6.914 ( 2.043 -2.553 -0.870) 3.383 6.931 ( 1.647 -2.345 -2.298) 3.673 6.959 ( -2.210 0.895 2.944) 3.788 6.980 ( -1.698 -1.094 3.078) 3.681 7.041 ( -2.683 1.250 -2.260) 3.724 7.086 ( -2.825 -2.143 -4.535) 5.756 7.160 ( 2.739 3.588 1.636) 4.801 7.182 ( 2.663 2.120 -0.401) 3.427 7.217 ( 2.388 -0.217 0.948) 2.579 7.223 ( 2.246 0.563 0.555) 2.381 7.264 ( -0.262 0.137 1.384) 1.415 7.271 ( 3.382 -0.649 1.496) 3.755 7.290 ( 2.394 -1.943 -1.193) 3.306 7.307 ( 2.481 -1.636 -1.575) 3.363 7.412 ( -0.780 2.961 0.667) 3.134 7.429 ( 0.954 2.184 -0.718) 2.489 7.455 ( 0.256 -0.470 1.148) 1.267 7.482 ( 0.661 -3.361 -0.703) 3.497 7.506 ( 1.553 3.414 -0.754) 3.826 7.521 ( -0.885 1.354 -0.692) 1.759 7.537 ( 0.581 0.614 -1.941) 2.117 7.556 ( -0.348 -0.818 -2.607) 2.754 7.698 ( -0.278 3.480 2.319) 4.192 7.743 ( -0.470 3.397 -1.736) 3.844 7.760 ( -1.154 2.851 0.619) 3.137 7.768 ( 1.300 -2.137 -0.521) 2.555 7.842 ( -0.673 -0.116 0.840) 1.083 7.861 ( -2.465 0.364 -0.646) 2.574 7.938 ( 0.411 -6.485 1.210) 6.609 7.955 ( -0.385 -6.424 -0.370) 6.446 8.013 ( 3.634 0.707 1.440) 3.973 8.026 ( 3.693 1.078 0.298) 3.859 8.049 ( 1.612 -2.377 1.168) 3.101 8.061 ( 2.459 -1.003 0.609) 2.724 8.070 ( 0.464 -2.181 1.493) 2.684 8.077 ( 0.100 -0.638 0.508) 0.822 8.103 ( -0.781 0.171 -1.210) 1.450 8.115 ( -1.020 -1.202 -1.705) 2.322 8.438 ( 3.162 4.118 1.690) 5.461 8.476 ( 3.673 5.355 -1.850) 6.752 8.515 ( 3.586 -2.034 2.119) 4.636 8.551 ( 2.591 0.260 -1.081) 2.819 8.683 ( -0.653 3.491 0.965) 3.680 8.697 ( -1.609 5.559 0.010) 5.787 8.788 ( -1.202 -4.840 2.474) 5.567 8.806 ( -0.051 -4.717 0.971) 4.817 8.936 ( 0.379 2.792 -0.680) 2.898 8.941 ( -0.419 2.621 -1.028) 2.847 8.996 ( -1.648 -1.849 -0.360) 2.503 9.010 ( -1.067 -2.751 -1.292) 3.221 9.092 ( -0.781 3.038 0.136) 3.140 9.109 ( -2.242 4.413 -1.187) 5.090 9.157 ( -3.173 -3.292 0.800) 4.641 9.185 ( -4.513 -3.146 -2.382) 5.995 9.432 ( 1.784 2.235 1.602) 3.277 9.459 ( 2.044 0.418 0.081) 2.088 9.489 ( 2.381 -1.140 -0.326) 2.659 9.504 ( 2.187 -2.023 -1.032) 3.153 9.564 ( -1.736 1.784 3.010) 3.906 9.613 ( -1.764 1.181 -1.062) 2.373 9.622 ( -2.939 -4.040 3.020) 5.837 9.672 ( -1.927 -4.030 -1.022) 4.583 9.819 ( 5.127 5.427 1.578) 7.630 9.845 ( 6.521 5.684 -0.405) 8.660 9.912 ( 4.716 -0.933 1.580) 5.061 9.927 ( 2.841 0.620 0.750) 3.003 9.998 ( 6.839 -2.913 2.108) 7.727 10.034 ( 6.706 0.458 -0.101) 6.723 10.058 ( 5.122 -5.119 2.317) 7.603 10.083 ( 6.164 -3.176 0.653) 6.965 10.337 ( -0.592 6.167 3.497) 7.114 10.389 ( 1.363 3.615 -1.673) 4.210 10.422 ( 0.262 -1.570 2.118) 2.649 10.445 ( -4.070 -3.225 -1.248) 5.341 10.536 ( -4.598 0.857 2.026) 5.097 10.560 ( -5.638 -1.502 3.493) 6.800 10.616 ( -3.043 2.116 -3.755) 5.276 10.673 ( -2.701 -3.395 -5.563) 7.055 10.885 ( -2.495 3.414 4.814) 6.408 10.947 ( -5.300 -2.613 3.494) 6.865 10.967 ( -4.014 2.228 -2.027) 5.018 11.020 ( -5.492 -2.681 -1.738) 6.354 11.078 ( -10.198 1.673 0.093) 10.335 11.103 ( -10.870 -1.004 -0.004) 10.916 11.134 ( -10.236 1.059 -4.331) 11.165 11.150 ( -11.313 -0.603 -4.486) 12.185 15.783 ( 1.520 1.573 3.401) 4.043 15.813 ( 0.801 -1.323 4.807) 5.049 15.841 ( 1.847 2.780 -2.399) 4.111 15.878 ( -1.635 -0.086 2.401) 2.906 15.890 ( -1.272 -1.501 1.440) 2.439 15.905 ( -0.120 -2.450 -1.415) 2.831 15.945 ( -1.727 1.035 -4.266) 4.717 15.974 ( -1.326 -1.556 -4.590) 5.025 16.372 ( 5.519 3.421 1.602) 6.688 16.398 ( 5.604 4.535 -0.926) 7.268 16.437 ( 3.919 -3.080 3.170) 5.907 16.482 ( 4.460 -4.074 -1.317) 6.182 16.719 ( -6.669 2.492 2.630) 7.590 16.748 ( -5.785 1.768 0.917) 6.119 16.801 ( -6.712 -2.116 -0.985) 7.107 16.819 ( -3.713 -1.978 -1.865) 4.602 16.873 ( 0.409 0.418 0.975) 1.137 16.882 ( -0.355 -0.399 1.047) 1.176 16.901 ( -0.122 1.005 -2.221) 2.441 16.917 ( -2.126 -0.671 -2.537) 3.378 17.204 ( -5.290 0.426 4.471) 6.939 17.207 ( -5.899 0.119 4.362) 7.337 17.297 ( -8.459 -0.088 -4.427) 9.548 17.299 ( -8.232 -0.315 -4.757) 9.513 18.103 ( 0.498 0.316 0.448) 0.741 18.104 ( 0.388 0.134 0.586) 0.716 18.111 ( 0.459 0.014 -0.310) 0.554 18.116 ( 0.309 -0.427 -0.524) 0.743 18.217 ( -0.008 0.003 0.908) 0.908 18.217 ( -0.025 -0.076 0.955) 0.959 18.232 ( -0.601 0.823 -0.841) 1.321 18.248 ( -0.945 -0.820 -1.917) 2.290 ======================= Grid point 67 (30/30) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -4.151 -2.289 5.645) 7.371 1.732 ( 4.151 -2.289 5.645) 7.371 1.779 ( -2.252 -7.424 0.858) 7.805 1.779 ( 2.252 -7.424 0.858) 7.805 2.166 ( -4.302 4.576 0.115) 6.281 2.166 ( 4.302 4.576 0.115) 6.281 2.176 ( -2.083 3.565 0.120) 4.131 2.176 ( 2.083 3.565 0.120) 4.131 2.347 ( -3.308 6.542 5.135) 8.950 2.347 ( 3.308 6.542 5.135) 8.950 2.396 ( -1.826 4.415 2.752) 5.514 2.396 ( 1.826 4.415 2.752) 5.514 2.552 ( -4.314 -2.546 2.936) 5.806 2.552 ( 4.314 -2.546 2.936) 5.806 2.598 ( -3.828 -4.611 1.464) 6.169 2.598 ( 3.828 -4.611 1.464) 6.169 2.684 ( -3.528 0.590 0.178) 3.581 2.684 ( 3.528 0.590 0.178) 3.581 2.732 ( -3.587 -3.613 -3.842) 6.378 2.732 ( 3.587 -3.613 -3.842) 6.378 2.913 ( -0.784 0.542 -0.556) 1.103 2.913 ( 0.784 0.542 -0.556) 1.103 2.919 ( -1.752 -0.038 -1.229) 2.140 2.919 ( 1.752 -0.038 -1.229) 2.140 3.020 ( -6.215 1.148 5.283) 8.238 3.020 ( 6.215 1.148 5.283) 8.238 3.076 ( -1.872 -3.077 5.720) 6.760 3.076 ( 1.872 -3.077 5.720) 6.760 3.117 ( -3.874 1.880 -2.552) 5.005 3.117 ( 3.874 1.880 -2.552) 5.005 3.170 ( -4.912 -2.627 -2.911) 6.285 3.170 ( 4.912 -2.627 -2.911) 6.285 3.383 ( -2.695 3.696 -1.307) 4.757 3.383 ( 2.695 3.696 -1.307) 4.757 3.405 ( -2.747 3.366 -2.271) 4.902 3.405 ( 2.747 3.366 -2.271) 4.902 3.504 ( -3.191 -2.652 1.583) 4.441 3.504 ( 3.191 -2.652 1.583) 4.441 3.547 ( -1.749 -4.729 -2.093) 5.459 3.547 ( 1.749 -4.729 -2.093) 5.459 3.847 ( -2.544 6.374 0.486) 6.880 3.847 ( 2.544 6.374 0.486) 6.880 3.861 ( -2.782 3.979 -1.010) 4.959 3.861 ( 2.782 3.979 -1.010) 4.959 3.956 ( -0.990 0.786 -1.233) 1.766 3.956 ( 0.990 0.786 -1.233) 1.766 3.960 ( -5.228 1.266 -0.305) 5.388 3.960 ( 5.228 1.266 -0.305) 5.388 4.045 ( -1.526 -1.472 1.601) 2.657 4.045 ( 1.526 -1.472 1.601) 2.657 4.101 ( -1.744 -2.029 -0.886) 2.818 4.101 ( 1.744 -2.029 -0.886) 2.819 4.162 ( -3.055 -1.555 0.194) 3.433 4.162 ( 3.055 -1.555 0.194) 3.433 4.187 ( -1.615 -4.299 0.155) 4.595 4.187 ( 1.615 -4.299 0.155) 4.595 4.339 ( -1.806 -0.922 -2.284) 3.054 4.339 ( 1.806 -0.922 -2.284) 3.054 4.373 ( -2.445 -3.696 -5.258) 6.876 4.373 ( 2.445 -3.696 -5.258) 6.876 4.566 ( -1.377 3.983 4.040) 5.838 4.566 ( 1.377 3.983 4.040) 5.838 4.613 ( -2.497 -0.700 -0.480) 2.637 4.613 ( 2.497 -0.700 -0.480) 2.637 4.692 ( -3.934 0.453 1.812) 4.355 4.692 ( 3.934 0.453 1.812) 4.355 4.714 ( -1.317 -1.273 0.946) 2.062 4.714 ( 1.317 -1.273 0.946) 2.062 4.817 ( -4.269 3.649 0.068) 5.616 4.817 ( 4.269 3.649 0.068) 5.616 4.850 ( -2.957 3.120 -0.957) 4.404 4.850 ( 2.957 3.120 -0.957) 4.404 4.940 ( -3.054 -6.010 -1.409) 6.887 4.940 ( 3.054 -6.010 -1.409) 6.887 4.971 ( -1.648 -6.251 -3.237) 7.229 4.971 ( 1.648 -6.251 -3.237) 7.229 5.209 ( -3.146 3.925 1.523) 5.255 5.209 ( 3.146 3.925 1.523) 5.255 5.230 ( -3.360 2.740 0.320) 4.348 5.230 ( 3.360 2.740 0.320) 4.348 5.286 ( -2.804 1.425 1.687) 3.569 5.286 ( 2.804 1.425 1.687) 3.569 5.318 ( -0.763 -0.780 -0.614) 1.252 5.318 ( 0.763 -0.780 -0.614) 1.252 5.442 ( -3.266 1.258 3.324) 4.827 5.442 ( 3.266 1.258 3.324) 4.827 5.484 ( -0.987 -1.121 -0.402) 1.547 5.484 ( 0.987 -1.121 -0.402) 1.547 5.653 ( -1.571 -0.250 1.227) 2.009 5.653 ( 1.571 -0.250 1.227) 2.009 5.696 ( -2.387 -3.639 -2.635) 5.088 5.696 ( 2.387 -3.639 -2.635) 5.088 5.864 ( -2.675 6.940 2.661) 7.900 5.864 ( 2.675 6.940 2.661) 7.900 5.915 ( -3.158 3.459 -1.714) 4.987 5.915 ( 3.158 3.459 -1.714) 4.987 5.991 ( -3.789 0.033 3.364) 5.067 5.991 ( 3.789 0.033 3.364) 5.067 6.040 ( -3.022 -3.118 -0.781) 4.412 6.040 ( 3.022 -3.118 -0.781) 4.412 6.087 ( -2.640 2.797 0.500) 3.879 6.087 ( 2.640 2.797 0.500) 3.879 6.137 ( -2.147 -0.079 -3.311) 3.947 6.137 ( 2.147 -0.079 -3.311) 3.947 6.260 ( -1.444 -3.306 1.958) 4.105 6.260 ( 1.444 -3.306 1.958) 4.105 6.292 ( -2.944 -5.204 -1.533) 6.172 6.292 ( 2.944 -5.204 -1.533) 6.172 6.428 ( -1.701 1.135 1.251) 2.397 6.428 ( 1.701 1.135 1.251) 2.397 6.461 ( -4.229 -1.408 -1.825) 4.817 6.461 ( 4.229 -1.408 -1.825) 4.817 6.483 ( -1.254 1.761 0.545) 2.230 6.483 ( 1.254 1.761 0.545) 2.230 6.523 ( -4.448 -1.524 -2.965) 5.559 6.523 ( 4.448 -1.524 -2.965) 5.559 6.699 ( -0.669 1.038 0.214) 1.253 6.699 ( 0.669 1.038 0.214) 1.253 6.727 ( -0.776 -1.797 -2.365) 3.070 6.727 ( 0.776 -1.797 -2.365) 3.070 6.871 ( -0.986 3.908 2.410) 4.696 6.871 ( 0.986 3.908 2.410) 4.696 6.931 ( -1.066 1.799 -1.861) 2.799 6.931 ( 1.066 1.799 -1.861) 2.799 6.967 ( -1.937 -2.568 0.352) 3.236 6.967 ( 1.937 -2.568 0.352) 3.236 7.016 ( -3.171 -3.628 -3.201) 5.785 7.016 ( 3.171 -3.628 -3.201) 5.785 7.198 ( -1.411 4.705 2.348) 5.445 7.198 ( 1.411 4.705 2.348) 5.445 7.247 ( -0.870 4.002 -2.058) 4.584 7.247 ( 0.870 4.002 -2.058) 4.584 7.276 ( -1.991 -2.991 2.528) 4.393 7.276 ( 1.991 -2.991 2.528) 4.393 7.323 ( -1.014 -3.310 -1.235) 3.675 7.323 ( 1.014 -3.310 -1.235) 3.675 7.434 ( -2.879 3.370 1.689) 4.743 7.434 ( 2.879 3.370 1.689) 4.743 7.483 ( -1.595 3.142 -3.025) 4.644 7.483 ( 1.595 3.142 -3.025) 4.644 7.505 ( -1.155 -3.126 1.347) 3.595 7.505 ( 1.155 -3.126 1.347) 3.595 7.544 ( -1.360 -2.055 -2.337) 3.396 7.544 ( 1.360 -2.055 -2.337) 3.396 7.721 ( -2.224 5.298 2.680) 6.340 7.721 ( 2.224 5.298 2.680) 6.340 7.758 ( -2.410 4.123 -1.023) 4.884 7.758 ( 2.410 4.123 -1.023) 4.884 7.872 ( -4.349 -7.001 0.725) 8.274 7.872 ( 4.349 -7.001 0.725) 8.274 7.898 ( -4.255 -6.765 -1.795) 8.192 7.898 ( 4.255 -6.765 -1.795) 8.192 8.067 ( -0.861 0.979 0.322) 1.343 8.067 ( 0.861 0.979 0.322) 1.343 8.071 ( -0.587 0.837 0.184) 1.039 8.071 ( 0.587 0.837 0.184) 1.039 8.087 ( -0.815 -0.533 0.288) 1.015 8.087 ( 0.815 -0.533 0.288) 1.015 8.097 ( -1.163 -1.072 -0.435) 1.641 8.097 ( 1.163 -1.072 -0.435) 1.641 8.519 ( -4.016 7.270 2.320) 8.623 8.519 ( 4.016 7.270 2.320) 8.623 8.560 ( -2.565 5.702 -1.638) 6.463 8.560 ( 2.565 5.702 -1.638) 6.463 8.703 ( -4.796 -4.083 2.512) 6.781 8.703 ( 4.796 -4.083 2.512) 6.781 8.750 ( -4.885 -6.423 -1.822) 8.273 8.750 ( 4.885 -6.423 -1.822) 8.273 8.954 ( -1.540 2.229 0.680) 2.793 8.954 ( 1.540 2.229 0.680) 2.793 8.974 ( -1.993 0.596 -1.588) 2.617 8.974 ( 1.993 0.596 -1.588) 2.617 9.098 ( -1.605 0.399 0.221) 1.668 9.098 ( 1.605 0.399 0.221) 1.668 9.112 ( -2.291 -0.507 -1.154) 2.615 9.112 ( 2.291 -0.507 -1.154) 2.615 9.484 ( -2.391 1.799 2.151) 3.685 9.484 ( 2.391 1.799 2.151) 3.685 9.524 ( -2.091 0.641 -1.462) 2.630 9.524 ( 2.091 0.641 -1.462) 2.630 9.561 ( -2.207 -3.250 2.495) 4.653 9.561 ( 2.207 -3.250 2.495) 4.653 9.603 ( -3.433 -4.724 -1.195) 5.960 9.603 ( 3.433 -4.724 -1.195) 5.960 9.920 ( -3.251 6.105 3.197) 7.619 9.920 ( 3.251 6.105 3.197) 7.619 9.955 ( -2.241 4.808 -0.068) 5.305 9.955 ( 2.241 4.808 -0.068) 5.305 10.109 ( -0.723 -4.364 2.056) 4.878 10.109 ( 0.723 -4.364 2.056) 4.878 10.142 ( -3.334 -5.659 -1.279) 6.692 10.142 ( 3.334 -5.659 -1.279) 6.692 10.379 ( -4.280 4.028 5.329) 7.934 10.379 ( 4.280 4.028 5.329) 7.934 10.399 ( -2.454 2.986 4.963) 6.291 10.399 ( 2.454 2.986 4.963) 6.291 10.517 ( -2.224 -0.934 -2.140) 3.225 10.517 ( 2.224 -0.934 -2.140) 3.225 10.546 ( -5.255 -2.991 -3.819) 7.152 10.546 ( 5.255 -2.991 -3.819) 7.152 10.938 ( -4.590 0.217 -0.402) 4.612 10.938 ( 4.590 0.217 -0.402) 4.612 10.945 ( -3.950 -0.346 -0.231) 3.972 10.945 ( 3.950 -0.346 -0.231) 3.972 10.964 ( -4.122 0.447 -2.663) 4.928 10.964 ( 4.122 0.447 -2.663) 4.928 10.969 ( -2.407 0.041 -2.298) 3.328 10.969 ( 2.407 0.041 -2.298) 3.328 15.823 ( -1.808 1.289 3.219) 3.911 15.823 ( 1.808 1.289 3.219) 3.911 15.853 ( -1.473 -1.702 4.189) 4.756 15.853 ( 1.473 -1.702 4.189) 4.756 15.890 ( -2.458 2.365 -3.503) 4.890 15.890 ( 2.458 2.365 -3.503) 4.890 15.938 ( -1.729 -2.529 -4.392) 5.355 15.938 ( 1.729 -2.529 -4.392) 5.355 16.504 ( -4.433 2.104 1.021) 5.012 16.504 ( 4.433 2.104 1.021) 5.012 16.520 ( -3.285 1.228 -0.549) 3.550 16.520 ( 3.285 1.228 -0.549) 3.550 16.650 ( -2.580 -1.135 1.116) 3.032 16.650 ( 2.580 -1.135 1.116) 3.032 16.671 ( -6.565 -2.550 -0.914) 7.102 16.671 ( 6.565 -2.550 -0.914) 7.102 16.896 ( -0.872 0.639 0.457) 1.174 16.896 ( 0.872 0.639 0.457) 1.174 16.899 ( -0.672 0.433 0.193) 0.823 16.899 ( 0.672 0.433 0.193) 0.823 17.178 ( -2.546 0.049 -0.568) 2.609 17.178 ( 2.546 0.049 -0.568) 2.609 17.181 ( -2.768 -0.214 -0.834) 2.899 17.181 ( 2.768 -0.214 -0.834) 2.899 18.109 ( -0.065 0.432 0.741) 0.860 18.109 ( 0.065 0.432 0.741) 0.860 18.118 ( -0.176 -0.427 -0.098) 0.472 18.118 ( 0.176 -0.427 -0.098) 0.472 18.219 ( -0.360 0.390 0.013) 0.531 18.219 ( 0.360 0.390 0.013) 0.531 18.226 ( -0.808 -0.394 -0.773) 1.186 18.226 ( 0.808 -0.394 -0.773) 1.186 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 529.985 1022.484 820.127 0.000 0.000 -0.000 3/28800 20.0 58.647 144.058 151.872 0.000 0.000 -0.000 3/28800 30.0 19.602 45.442 50.567 0.000 0.000 -0.000 3/28800 40.0 9.580 21.277 24.114 0.000 0.000 -0.000 3/28800 50.0 5.733 12.360 14.137 0.000 0.000 -0.000 3/28800 60.0 3.890 8.199 9.429 0.000 0.000 -0.000 3/28800 70.0 2.872 5.943 6.858 0.000 0.000 -0.000 3/28800 80.0 2.250 4.584 5.303 0.000 0.000 -0.000 3/28800 90.0 1.840 3.699 4.287 0.000 0.000 -0.000 3/28800 100.0 1.555 3.088 3.583 0.000 0.000 -0.000 3/28800 110.0 1.347 2.645 3.072 0.000 0.000 -0.000 3/28800 120.0 1.190 2.312 2.686 0.000 0.000 -0.000 3/28800 130.0 1.067 2.053 2.386 0.000 0.000 -0.000 3/28800 140.0 0.969 1.847 2.147 0.000 0.000 -0.000 3/28800 150.0 0.888 1.680 1.952 0.000 0.000 -0.000 3/28800 160.0 0.822 1.540 1.790 0.000 0.000 -0.000 3/28800 170.0 0.765 1.423 1.654 0.000 0.000 -0.000 3/28800 180.0 0.717 1.323 1.538 0.000 0.000 -0.000 3/28800 190.0 0.675 1.237 1.437 0.000 0.000 -0.000 3/28800 200.0 0.638 1.161 1.349 0.000 0.000 -0.000 3/28800 210.0 0.605 1.095 1.272 0.000 0.000 -0.000 3/28800 220.0 0.576 1.036 1.203 0.000 0.000 -0.000 3/28800 230.0 0.550 0.983 1.142 0.000 0.000 -0.000 3/28800 240.0 0.526 0.936 1.087 0.000 0.000 -0.000 3/28800 250.0 0.505 0.893 1.037 0.000 0.000 -0.000 3/28800 260.0 0.485 0.854 0.991 0.000 0.000 -0.000 3/28800 270.0 0.467 0.818 0.950 0.000 0.000 -0.000 3/28800 280.0 0.450 0.785 0.912 0.000 0.000 -0.000 3/28800 290.0 0.435 0.755 0.877 0.000 0.000 -0.000 3/28800 300.0 0.420 0.728 0.845 0.000 0.000 -0.000 3/28800 310.0 0.407 0.702 0.815 0.000 0.000 -0.000 3/28800 320.0 0.394 0.678 0.787 0.000 0.000 -0.000 3/28800 330.0 0.382 0.656 0.761 0.000 0.000 -0.000 3/28800 340.0 0.371 0.635 0.737 0.000 0.000 -0.000 3/28800 350.0 0.361 0.615 0.714 0.000 0.000 -0.000 3/28800 360.0 0.351 0.597 0.693 0.000 0.000 -0.000 3/28800 370.0 0.342 0.580 0.673 0.000 0.000 -0.000 3/28800 380.0 0.333 0.564 0.654 0.000 0.000 -0.000 3/28800 390.0 0.325 0.548 0.636 0.000 0.000 -0.000 3/28800 400.0 0.317 0.534 0.619 0.000 0.000 -0.000 3/28800 410.0 0.309 0.520 0.604 0.000 0.000 -0.000 3/28800 420.0 0.302 0.507 0.588 0.000 0.000 -0.000 3/28800 430.0 0.295 0.495 0.574 0.000 0.000 -0.000 3/28800 440.0 0.288 0.483 0.560 0.000 0.000 -0.000 3/28800 450.0 0.282 0.472 0.547 0.000 0.000 -0.000 3/28800 460.0 0.276 0.461 0.535 0.000 0.000 -0.000 3/28800 470.0 0.270 0.451 0.523 0.000 0.000 -0.000 3/28800 480.0 0.265 0.441 0.512 0.000 0.000 -0.000 3/28800 490.0 0.260 0.432 0.501 0.000 0.000 -0.000 3/28800 500.0 0.254 0.423 0.490 0.000 0.000 -0.000 3/28800 510.0 0.250 0.414 0.480 0.000 0.000 -0.000 3/28800 520.0 0.245 0.406 0.471 0.000 0.000 -0.000 3/28800 530.0 0.240 0.398 0.462 0.000 0.000 -0.000 3/28800 540.0 0.236 0.390 0.453 0.000 0.000 -0.000 3/28800 550.0 0.232 0.383 0.444 0.000 0.000 -0.000 3/28800 560.0 0.228 0.376 0.436 0.000 0.000 -0.000 3/28800 570.0 0.224 0.369 0.428 0.000 0.000 -0.000 3/28800 580.0 0.220 0.363 0.421 0.000 0.000 -0.000 3/28800 590.0 0.216 0.356 0.413 0.000 0.000 -0.000 3/28800 600.0 0.213 0.350 0.406 0.000 0.000 -0.000 3/28800 610.0 0.209 0.344 0.400 0.000 0.000 -0.000 3/28800 620.0 0.206 0.339 0.393 0.000 0.000 -0.000 3/28800 630.0 0.203 0.333 0.387 0.000 0.000 -0.000 3/28800 640.0 0.200 0.328 0.380 0.000 0.000 -0.000 3/28800 650.0 0.197 0.323 0.374 0.000 0.000 -0.000 3/28800 660.0 0.194 0.318 0.369 0.000 0.000 -0.000 3/28800 670.0 0.191 0.313 0.363 0.000 0.000 -0.000 3/28800 680.0 0.188 0.308 0.358 0.000 0.000 -0.000 3/28800 690.0 0.185 0.304 0.352 0.000 0.000 -0.000 3/28800 700.0 0.183 0.299 0.347 0.000 0.000 -0.000 3/28800 710.0 0.180 0.295 0.342 0.000 0.000 -0.000 3/28800 720.0 0.178 0.291 0.337 0.000 0.000 -0.000 3/28800 730.0 0.175 0.287 0.333 0.000 0.000 -0.000 3/28800 740.0 0.173 0.283 0.328 0.000 0.000 -0.000 3/28800 750.0 0.171 0.279 0.324 0.000 0.000 -0.000 3/28800 760.0 0.169 0.275 0.319 0.000 0.000 -0.000 3/28800 770.0 0.166 0.272 0.315 0.000 0.000 -0.000 3/28800 780.0 0.164 0.268 0.311 0.000 0.000 -0.000 3/28800 790.0 0.162 0.265 0.307 0.000 0.000 -0.000 3/28800 800.0 0.160 0.261 0.303 0.000 0.000 -0.000 3/28800 810.0 0.158 0.258 0.299 0.000 0.000 -0.000 3/28800 820.0 0.156 0.255 0.296 0.000 0.000 -0.000 3/28800 830.0 0.155 0.252 0.292 0.000 0.000 -0.000 3/28800 840.0 0.153 0.249 0.288 0.000 0.000 -0.000 3/28800 850.0 0.151 0.246 0.285 0.000 0.000 -0.000 3/28800 860.0 0.149 0.243 0.282 0.000 0.000 -0.000 3/28800 870.0 0.147 0.240 0.278 0.000 0.000 -0.000 3/28800 880.0 0.146 0.237 0.275 0.000 0.000 -0.000 3/28800 890.0 0.144 0.234 0.272 0.000 0.000 -0.000 3/28800 900.0 0.143 0.232 0.269 0.000 0.000 -0.000 3/28800 910.0 0.141 0.229 0.266 0.000 0.000 -0.000 3/28800 920.0 0.140 0.227 0.263 0.000 0.000 -0.000 3/28800 930.0 0.138 0.224 0.260 0.000 0.000 -0.000 3/28800 940.0 0.137 0.222 0.257 0.000 0.000 -0.000 3/28800 950.0 0.135 0.219 0.255 0.000 0.000 -0.000 3/28800 960.0 0.134 0.217 0.252 0.000 0.000 -0.000 3/28800 970.0 0.132 0.215 0.249 0.000 0.000 -0.000 3/28800 980.0 0.131 0.213 0.247 0.000 0.000 -0.000 3/28800 990.0 0.130 0.211 0.244 0.000 0.000 -0.000 3/28800 1000.0 0.128 0.208 0.242 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m835.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:09:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|