----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.326869500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): *1 F 0.28611607309646 0.72032767839505 0.87884330926637 18.998 2 F 0.78611607309646 0.77967232160495 0.12115669073363 18.998 3 F 0.21388392690354 0.77967232160495 0.37884330926637 18.998 4 F 0.71388392690354 0.72032767839505 0.62115669073363 18.998 5 F 0.71388392690354 0.27967232160495 0.12115669073363 18.998 6 F 0.21388392690354 0.22032767839505 0.87884330926637 18.998 7 F 0.78611607309646 0.22032767839505 0.62115669073363 18.998 8 F 0.28611607309646 0.27967232160495 0.37884330926637 18.998 *9 F 0.19783196797162 0.99937794156401 0.98109533212442 18.998 10 F 0.69783196797162 0.50062205843599 0.01890466787558 18.998 11 F 0.30216803202838 0.50062205843599 0.48109533212442 18.998 12 F 0.80216803202838 0.99937794156401 0.51890466787558 18.998 13 F 0.80216803202838 0.00062205843599 0.01890466787558 18.998 14 F 0.30216803202838 0.49937794156401 0.98109533212442 18.998 15 F 0.69783196797162 0.49937794156401 0.51890466787558 18.998 16 F 0.19783196797162 0.00062205843599 0.48109533212442 18.998 *17 F 0.01980248850174 0.84290485378545 0.88629326650526 18.998 *18 F 0.47984924174890 0.88095525216543 0.96565823157446 18.998 19 F 0.51980248850175 0.65709514621455 0.11370673349474 18.998 20 F 0.98019751149825 0.84290485378545 0.61370673349474 18.998 21 F 0.98019751149825 0.15709514621455 0.11370673349474 18.998 22 F 0.48019751149826 0.34290485378545 0.88629326650526 18.998 23 F 0.51980248850175 0.34290485378545 0.61370673349474 18.998 24 F 0.01980248850174 0.15709514621455 0.38629326650526 18.998 *25 F 0.21234653774926 0.41799121566372 0.76236050351914 18.998 26 F 0.71234653774926 0.08200878433628 0.23763949648086 18.998 27 F 0.28765346225074 0.08200878433628 0.26236050351914 18.998 28 F 0.78765346225074 0.41799121566372 0.73763949648086 18.998 29 F 0.78765346225074 0.58200878433628 0.23763949648086 18.998 30 F 0.28765346225074 0.91799121566372 0.76236050351914 18.998 31 F 0.71234653774926 0.91799121566372 0.73763949648086 18.998 32 F 0.21234653774926 0.58200878433628 0.26236050351914 18.998 *33 F 0.21794737979712 0.18730533415156 0.59321687319309 18.998 34 F 0.71794737979712 0.31269466584844 0.40678312680691 18.998 35 F 0.28205262020288 0.31269466584844 0.09321687319309 18.998 36 F 0.78205262020288 0.18730533415156 0.90678312680691 18.998 37 F 0.78205262020288 0.81269466584844 0.40678312680691 18.998 38 F 0.28205262020288 0.68730533415156 0.59321687319309 18.998 39 F 0.71794737979712 0.68730533415156 0.90678312680691 18.998 40 F 0.21794737979712 0.81269466584844 0.09321687319309 18.998 41 F 0.47984924174890 0.11904474783457 0.46565823157446 18.998 42 F 0.97984924174890 0.38095525216542 0.53434176842554 18.998 43 F 0.02015075825110 0.38095525216542 0.96565823157446 18.998 44 F 0.52015075825110 0.11904474783457 0.03434176842554 18.998 45 F 0.52015075825110 0.88095525216543 0.53434176842554 18.998 46 F 0.02015075825110 0.61904474783457 0.46565823157446 18.998 47 F 0.97984924174890 0.61904474783457 0.03434176842554 18.998 48 F 0.48019751149826 0.65709514621455 0.38629326650526 18.998 *49 Na 0.74696467019527 0.14244773999508 0.42578788748011 22.990 50 Na 0.24696467019527 0.35755226000492 0.57421211251989 22.990 51 Na 0.75303532980473 0.35755226000492 0.92578788748011 22.990 52 Na 0.25303532980473 0.14244773999508 0.07421211251989 22.990 53 Na 0.25303532980473 0.85755226000492 0.57421211251989 22.990 54 Na 0.75303532980473 0.64244773999508 0.42578788748011 22.990 55 Na 0.24696467019527 0.64244773999508 0.07421211251989 22.990 56 Na 0.74696467019527 0.85755226000492 0.92578788748011 22.990 *57 Sn 0.25022565652557 0.13770082332117 0.42561601337341 118.710 58 Sn 0.74977434347443 0.13770082332117 0.07438398662659 118.710 59 Sn 0.24977434347443 0.36229917667883 0.92561601337341 118.710 60 Sn 0.24977434347443 0.63770082332117 0.42561601337341 118.710 61 Sn 0.75022565652557 0.63770082332117 0.07438398662659 118.710 62 Sn 0.74977434347443 0.86229917667883 0.57438398662659 118.710 63 Sn 0.25022565652557 0.86229917667883 0.92561601337341 118.710 64 Sn 0.75022565652557 0.36229917667883 0.57438398662659 118.710 *65 Cs 0.50000000000000 0.11990551209255 0.75000000000000 132.905 66 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 67 Cs 0.50000000000000 0.88009448790745 0.25000000000000 132.905 *68 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 69 Cs 0.50000000000000 0.43120194758395 0.25000000000000 132.905 70 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 71 Cs 0.50000000000000 0.56879805241605 0.75000000000000 132.905 72 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.326869500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): *1 F 0.28611607309646 0.72032767839505 0.87884330926637 18.998 > 1 2 F 0.78611607309646 0.77967232160495 0.12115669073363 18.998 > 2 3 F 0.21388392690354 0.77967232160495 0.37884330926637 18.998 > 3 4 F 0.71388392690354 0.72032767839505 0.62115669073363 18.998 > 4 5 F 0.71388392690354 0.27967232160495 0.12115669073363 18.998 > 5 6 F 0.21388392690354 0.22032767839505 0.87884330926637 18.998 > 6 7 F 0.78611607309646 0.22032767839505 0.62115669073363 18.998 > 7 8 F 0.28611607309646 0.27967232160495 0.37884330926637 18.998 > 8 *9 F 0.19783196797162 0.99937794156401 0.98109533212442 18.998 > 9 10 F 0.69783196797162 0.50062205843599 0.01890466787558 18.998 > 10 11 F 0.30216803202838 0.50062205843599 0.48109533212442 18.998 > 11 12 F 0.80216803202838 0.99937794156401 0.51890466787558 18.998 > 12 13 F 0.80216803202838 0.00062205843599 0.01890466787558 18.998 > 13 14 F 0.30216803202838 0.49937794156401 0.98109533212442 18.998 > 14 15 F 0.69783196797162 0.49937794156401 0.51890466787558 18.998 > 15 16 F 0.19783196797162 0.00062205843599 0.48109533212442 18.998 > 16 *17 F 0.01980248850174 0.84290485378545 0.88629326650526 18.998 > 17 *18 F 0.47984924174890 0.88095525216543 0.96565823157446 18.998 > 18 19 F 0.51980248850175 0.65709514621455 0.11370673349474 18.998 > 19 20 F 0.98019751149825 0.84290485378545 0.61370673349474 18.998 > 20 21 F 0.98019751149825 0.15709514621455 0.11370673349474 18.998 > 21 22 F 0.48019751149826 0.34290485378545 0.88629326650526 18.998 > 22 23 F 0.51980248850175 0.34290485378545 0.61370673349474 18.998 > 23 24 F 0.01980248850174 0.15709514621455 0.38629326650526 18.998 > 24 *25 F 0.21234653774926 0.41799121566372 0.76236050351914 18.998 > 25 26 F 0.71234653774926 0.08200878433628 0.23763949648086 18.998 > 26 27 F 0.28765346225074 0.08200878433628 0.26236050351914 18.998 > 27 28 F 0.78765346225074 0.41799121566372 0.73763949648086 18.998 > 28 29 F 0.78765346225074 0.58200878433628 0.23763949648086 18.998 > 29 30 F 0.28765346225074 0.91799121566372 0.76236050351914 18.998 > 30 31 F 0.71234653774926 0.91799121566372 0.73763949648086 18.998 > 31 32 F 0.21234653774926 0.58200878433628 0.26236050351914 18.998 > 32 *33 F 0.21794737979712 0.18730533415156 0.59321687319309 18.998 > 33 34 F 0.71794737979712 0.31269466584844 0.40678312680691 18.998 > 34 35 F 0.28205262020288 0.31269466584844 0.09321687319309 18.998 > 35 36 F 0.78205262020288 0.18730533415156 0.90678312680691 18.998 > 36 37 F 0.78205262020288 0.81269466584844 0.40678312680691 18.998 > 37 38 F 0.28205262020288 0.68730533415156 0.59321687319309 18.998 > 38 39 F 0.71794737979712 0.68730533415156 0.90678312680691 18.998 > 39 40 F 0.21794737979712 0.81269466584844 0.09321687319309 18.998 > 40 41 F 0.47984924174890 0.11904474783457 0.46565823157446 18.998 > 41 42 F 0.97984924174890 0.38095525216542 0.53434176842554 18.998 > 42 43 F 0.02015075825110 0.38095525216542 0.96565823157446 18.998 > 43 44 F 0.52015075825110 0.11904474783457 0.03434176842554 18.998 > 44 45 F 0.52015075825110 0.88095525216543 0.53434176842554 18.998 > 45 46 F 0.02015075825110 0.61904474783457 0.46565823157446 18.998 > 46 47 F 0.97984924174890 0.61904474783457 0.03434176842554 18.998 > 47 48 F 0.48019751149826 0.65709514621455 0.38629326650526 18.998 > 48 *49 Na 0.74696467019527 0.14244773999508 0.42578788748011 22.990 > 49 50 Na 0.24696467019527 0.35755226000492 0.57421211251989 22.990 > 50 51 Na 0.75303532980473 0.35755226000492 0.92578788748011 22.990 > 51 52 Na 0.25303532980473 0.14244773999508 0.07421211251989 22.990 > 52 53 Na 0.25303532980473 0.85755226000492 0.57421211251989 22.990 > 53 54 Na 0.75303532980473 0.64244773999508 0.42578788748011 22.990 > 54 55 Na 0.24696467019527 0.64244773999508 0.07421211251989 22.990 > 55 56 Na 0.74696467019527 0.85755226000492 0.92578788748011 22.990 > 56 *57 Sn 0.25022565652557 0.13770082332117 0.42561601337341 118.710 > 57 58 Sn 0.74977434347443 0.13770082332117 0.07438398662659 118.710 > 58 59 Sn 0.24977434347443 0.36229917667883 0.92561601337341 118.710 > 59 60 Sn 0.24977434347443 0.63770082332117 0.42561601337341 118.710 > 60 61 Sn 0.75022565652557 0.63770082332117 0.07438398662659 118.710 > 61 62 Sn 0.74977434347443 0.86229917667883 0.57438398662659 118.710 > 62 63 Sn 0.25022565652557 0.86229917667883 0.92561601337341 118.710 > 63 64 Sn 0.75022565652557 0.36229917667883 0.57438398662659 118.710 > 64 *65 Cs 0.50000000000000 0.11990551209255 0.75000000000000 132.905 > 65 66 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 > 66 67 Cs 0.50000000000000 0.88009448790745 0.25000000000000 132.905 > 67 *68 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 > 68 69 Cs 0.50000000000000 0.43120194758395 0.25000000000000 132.905 > 69 70 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 > 70 71 Cs 0.50000000000000 0.56879805241605 0.75000000000000 132.905 > 71 72 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.653739000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): *1 F 0.14305803654823 0.72032767839505 0.87884330926637 18.998 > 1 2 F 0.64305803654823 0.72032767839505 0.87884330926637 18.998 > 1 3 F 0.39305803654823 0.77967232160495 0.12115669073363 18.998 > 2 4 F 0.89305803654823 0.77967232160495 0.12115669073363 18.998 > 2 5 F 0.10694196345177 0.77967232160495 0.37884330926637 18.998 > 3 6 F 0.60694196345177 0.77967232160495 0.37884330926637 18.998 > 3 7 F 0.35694196345177 0.72032767839505 0.62115669073363 18.998 > 4 8 F 0.85694196345177 0.72032767839505 0.62115669073363 18.998 > 4 9 F 0.35694196345177 0.27967232160495 0.12115669073363 18.998 > 5 10 F 0.85694196345177 0.27967232160495 0.12115669073363 18.998 > 5 11 F 0.10694196345177 0.22032767839505 0.87884330926637 18.998 > 6 12 F 0.60694196345177 0.22032767839505 0.87884330926637 18.998 > 6 13 F 0.39305803654823 0.22032767839505 0.62115669073363 18.998 > 7 14 F 0.89305803654823 0.22032767839505 0.62115669073363 18.998 > 7 15 F 0.14305803654823 0.27967232160495 0.37884330926637 18.998 > 8 16 F 0.64305803654823 0.27967232160495 0.37884330926637 18.998 > 8 *17 F 0.09891598398581 0.99937794156401 0.98109533212442 18.998 > 9 18 F 0.59891598398581 0.99937794156401 0.98109533212442 18.998 > 9 19 F 0.34891598398581 0.50062205843599 0.01890466787558 18.998 > 10 20 F 0.84891598398581 0.50062205843599 0.01890466787558 18.998 > 10 21 F 0.15108401601419 0.50062205843599 0.48109533212442 18.998 > 11 22 F 0.65108401601419 0.50062205843599 0.48109533212442 18.998 > 11 23 F 0.40108401601419 0.99937794156401 0.51890466787558 18.998 > 12 24 F 0.90108401601419 0.99937794156401 0.51890466787558 18.998 > 12 25 F 0.40108401601419 0.00062205843599 0.01890466787558 18.998 > 13 26 F 0.90108401601419 0.00062205843599 0.01890466787558 18.998 > 13 27 F 0.15108401601419 0.49937794156401 0.98109533212442 18.998 > 14 28 F 0.65108401601419 0.49937794156401 0.98109533212442 18.998 > 14 29 F 0.34891598398581 0.49937794156401 0.51890466787558 18.998 > 15 30 F 0.84891598398581 0.49937794156401 0.51890466787558 18.998 > 15 31 F 0.09891598398581 0.00062205843599 0.48109533212442 18.998 > 16 32 F 0.59891598398581 0.00062205843599 0.48109533212442 18.998 > 16 *33 F 0.00990124425087 0.84290485378545 0.88629326650526 18.998 > 17 34 F 0.50990124425087 0.84290485378545 0.88629326650526 18.998 > 17 *35 F 0.23992462087445 0.88095525216543 0.96565823157446 18.998 > 18 36 F 0.73992462087445 0.88095525216543 0.96565823157446 18.998 > 18 37 F 0.25990124425087 0.65709514621455 0.11370673349474 18.998 > 19 38 F 0.75990124425087 0.65709514621455 0.11370673349474 18.998 > 19 39 F 0.49009875574913 0.84290485378545 0.61370673349474 18.998 > 20 40 F 0.99009875574913 0.84290485378545 0.61370673349474 18.998 > 20 41 F 0.49009875574913 0.15709514621455 0.11370673349474 18.998 > 21 42 F 0.99009875574913 0.15709514621455 0.11370673349474 18.998 > 21 43 F 0.24009875574913 0.34290485378545 0.88629326650526 18.998 > 22 44 F 0.74009875574913 0.34290485378545 0.88629326650526 18.998 > 22 45 F 0.25990124425087 0.34290485378545 0.61370673349474 18.998 > 23 46 F 0.75990124425087 0.34290485378545 0.61370673349474 18.998 > 23 47 F 0.00990124425087 0.15709514621455 0.38629326650526 18.998 > 24 48 F 0.50990124425087 0.15709514621455 0.38629326650526 18.998 > 24 *49 F 0.10617326887463 0.41799121566372 0.76236050351914 18.998 > 25 50 F 0.60617326887463 0.41799121566372 0.76236050351914 18.998 > 25 51 F 0.35617326887463 0.08200878433628 0.23763949648086 18.998 > 26 52 F 0.85617326887463 0.08200878433628 0.23763949648086 18.998 > 26 53 F 0.14382673112537 0.08200878433628 0.26236050351914 18.998 > 27 54 F 0.64382673112537 0.08200878433628 0.26236050351914 18.998 > 27 55 F 0.39382673112537 0.41799121566372 0.73763949648086 18.998 > 28 56 F 0.89382673112537 0.41799121566372 0.73763949648086 18.998 > 28 57 F 0.39382673112537 0.58200878433628 0.23763949648086 18.998 > 29 58 F 0.89382673112537 0.58200878433628 0.23763949648086 18.998 > 29 59 F 0.14382673112537 0.91799121566372 0.76236050351914 18.998 > 30 60 F 0.64382673112537 0.91799121566372 0.76236050351914 18.998 > 30 61 F 0.35617326887463 0.91799121566372 0.73763949648086 18.998 > 31 62 F 0.85617326887463 0.91799121566372 0.73763949648086 18.998 > 31 63 F 0.10617326887463 0.58200878433628 0.26236050351914 18.998 > 32 64 F 0.60617326887463 0.58200878433628 0.26236050351914 18.998 > 32 *65 F 0.10897368989856 0.18730533415156 0.59321687319309 18.998 > 33 66 F 0.60897368989856 0.18730533415156 0.59321687319309 18.998 > 33 67 F 0.35897368989856 0.31269466584844 0.40678312680691 18.998 > 34 68 F 0.85897368989856 0.31269466584844 0.40678312680691 18.998 > 34 69 F 0.14102631010144 0.31269466584844 0.09321687319309 18.998 > 35 70 F 0.64102631010144 0.31269466584844 0.09321687319309 18.998 > 35 71 F 0.39102631010144 0.18730533415156 0.90678312680691 18.998 > 36 72 F 0.89102631010144 0.18730533415156 0.90678312680691 18.998 > 36 73 F 0.39102631010144 0.81269466584844 0.40678312680691 18.998 > 37 74 F 0.89102631010144 0.81269466584844 0.40678312680691 18.998 > 37 75 F 0.14102631010144 0.68730533415156 0.59321687319309 18.998 > 38 76 F 0.64102631010144 0.68730533415156 0.59321687319309 18.998 > 38 77 F 0.35897368989856 0.68730533415156 0.90678312680691 18.998 > 39 78 F 0.85897368989856 0.68730533415156 0.90678312680691 18.998 > 39 79 F 0.10897368989856 0.81269466584844 0.09321687319309 18.998 > 40 80 F 0.60897368989856 0.81269466584844 0.09321687319309 18.998 > 40 81 F 0.23992462087445 0.11904474783457 0.46565823157446 18.998 > 41 82 F 0.73992462087445 0.11904474783457 0.46565823157446 18.998 > 41 83 F 0.48992462087445 0.38095525216542 0.53434176842554 18.998 > 42 84 F 0.98992462087445 0.38095525216542 0.53434176842554 18.998 > 42 85 F 0.01007537912555 0.38095525216542 0.96565823157446 18.998 > 43 86 F 0.51007537912555 0.38095525216542 0.96565823157446 18.998 > 43 87 F 0.26007537912555 0.11904474783457 0.03434176842554 18.998 > 44 88 F 0.76007537912555 0.11904474783457 0.03434176842554 18.998 > 44 89 F 0.26007537912555 0.88095525216543 0.53434176842554 18.998 > 45 90 F 0.76007537912555 0.88095525216543 0.53434176842554 18.998 > 45 91 F 0.01007537912555 0.61904474783457 0.46565823157446 18.998 > 46 92 F 0.51007537912555 0.61904474783457 0.46565823157446 18.998 > 46 93 F 0.48992462087445 0.61904474783457 0.03434176842554 18.998 > 47 94 F 0.98992462087445 0.61904474783457 0.03434176842554 18.998 > 47 95 F 0.24009875574913 0.65709514621455 0.38629326650526 18.998 > 48 96 F 0.74009875574913 0.65709514621455 0.38629326650526 18.998 > 48 *97 Na 0.37348233509763 0.14244773999508 0.42578788748011 22.990 > 49 98 Na 0.87348233509763 0.14244773999508 0.42578788748011 22.990 > 49 99 Na 0.12348233509763 0.35755226000492 0.57421211251989 22.990 > 50 100 Na 0.62348233509763 0.35755226000492 0.57421211251989 22.990 > 50 101 Na 0.37651766490237 0.35755226000492 0.92578788748011 22.990 > 51 102 Na 0.87651766490237 0.35755226000492 0.92578788748011 22.990 > 51 103 Na 0.12651766490237 0.14244773999508 0.07421211251989 22.990 > 52 104 Na 0.62651766490237 0.14244773999508 0.07421211251989 22.990 > 52 105 Na 0.12651766490237 0.85755226000492 0.57421211251989 22.990 > 53 106 Na 0.62651766490237 0.85755226000492 0.57421211251989 22.990 > 53 107 Na 0.37651766490237 0.64244773999508 0.42578788748011 22.990 > 54 108 Na 0.87651766490237 0.64244773999508 0.42578788748011 22.990 > 54 109 Na 0.12348233509763 0.64244773999508 0.07421211251989 22.990 > 55 110 Na 0.62348233509763 0.64244773999508 0.07421211251989 22.990 > 55 111 Na 0.37348233509763 0.85755226000492 0.92578788748011 22.990 > 56 112 Na 0.87348233509763 0.85755226000492 0.92578788748011 22.990 > 56 *113 Sn 0.12511282826278 0.13770082332117 0.42561601337341 118.710 > 57 114 Sn 0.62511282826278 0.13770082332117 0.42561601337341 118.710 > 57 115 Sn 0.37488717173722 0.13770082332117 0.07438398662659 118.710 > 58 116 Sn 0.87488717173722 0.13770082332117 0.07438398662659 118.710 > 58 117 Sn 0.12488717173722 0.36229917667883 0.92561601337341 118.710 > 59 118 Sn 0.62488717173722 0.36229917667883 0.92561601337341 118.710 > 59 119 Sn 0.12488717173722 0.63770082332117 0.42561601337341 118.710 > 60 120 Sn 0.62488717173722 0.63770082332117 0.42561601337341 118.710 > 60 121 Sn 0.37511282826278 0.63770082332117 0.07438398662659 118.710 > 61 122 Sn 0.87511282826278 0.63770082332117 0.07438398662659 118.710 > 61 123 Sn 0.37488717173722 0.86229917667883 0.57438398662659 118.710 > 62 124 Sn 0.87488717173722 0.86229917667883 0.57438398662659 118.710 > 62 125 Sn 0.12511282826278 0.86229917667883 0.92561601337341 118.710 > 63 126 Sn 0.62511282826278 0.86229917667883 0.92561601337341 118.710 > 63 127 Sn 0.37511282826278 0.36229917667883 0.57438398662659 118.710 > 64 128 Sn 0.87511282826278 0.36229917667883 0.57438398662659 118.710 > 64 *129 Cs 0.25000000000000 0.11990551209255 0.75000000000000 132.905 > 65 130 Cs 0.75000000000000 0.11990551209255 0.75000000000000 132.905 > 65 131 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 > 66 132 Cs 0.50000000000000 0.38009448790745 0.25000000000000 132.905 > 66 133 Cs 0.25000000000000 0.88009448790745 0.25000000000000 132.905 > 67 134 Cs 0.75000000000000 0.88009448790745 0.25000000000000 132.905 > 67 *135 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 > 68 136 Cs 0.50000000000000 0.06879805241605 0.75000000000000 132.905 > 68 137 Cs 0.25000000000000 0.43120194758395 0.25000000000000 132.905 > 69 138 Cs 0.75000000000000 0.43120194758395 0.25000000000000 132.905 > 69 139 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 > 70 140 Cs 0.50000000000000 0.93120194758395 0.25000000000000 132.905 > 70 141 Cs 0.25000000000000 0.56879805241605 0.75000000000000 132.905 > 71 142 Cs 0.75000000000000 0.56879805241605 0.75000000000000 132.905 > 71 143 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 > 72 144 Cs 0.50000000000000 0.61990551209255 0.75000000000000 132.905 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1128378 0.0000000 0.0000000 0.0000000 2.1233548 0.0000000 0.0000000 0.0000000 2.1190034 -------------------------- Born effective charges -------------------------- 1 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 2 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 3 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 4 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 5 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 6 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 7 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 8 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 9 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 10 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 11 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 12 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 13 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 14 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 15 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 16 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 17 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 18 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 19 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 20 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 21 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 22 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 23 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 24 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 25 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 26 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 27 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 28 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 29 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 30 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 31 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 32 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 33 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 34 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 35 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 36 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 37 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 38 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 39 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 40 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 41 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 42 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 43 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 44 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 45 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 46 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 47 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 48 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 49 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 50 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 51 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 52 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 53 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 54 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 55 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 56 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 57 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 58 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 59 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 60 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 61 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 62 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 63 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 64 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 65 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 66 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 67 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 68 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 69 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 70 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 71 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 72 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 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: 1000 / 1304 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1304 / 1304 (1) 288 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5916), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 274), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 234), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1284), data: False |-- (1304, 36), data: (1304, 56) @ (56, 36) |-- (304, 288), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 231), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 230), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 3.908 Solver_block: 200 / 1120 - Time: 3.376 Solver_block: 300 / 1120 - Time: 2.029 Solver_block: 400 / 1120 - Time: 1.842 Solver_block: 500 / 1120 - Time: 1.850 Solver_block: 600 / 1120 - Time: 1.821 Solver_block: 700 / 1120 - Time: 1.760 Solver_block: 800 / 1120 - Time: 1.885 Solver_block: 900 / 1120 - Time: 1.836 Solver_block: 1000 / 1120 - Time: 1.853 Solver_block: 1100 / 1120 - Time: 2.489 Solver_block: 1120 / 1120 - Time: 0.801 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.762 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 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: 1000 / 1304 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1304 / 1304 (1) 288 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5916), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 29), data: (1288, 45) @ (45, 29) |-- (288, 274), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 234), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1284), data: False |-- (1304, 36), data: (1304, 56) @ (56, 36) |-- (304, 288), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 231), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 230), data: True |-- (250, 232), 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 00:33:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:33:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.326869500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): 1 F 0.28611607309646 0.72032767839505 0.87884330926637 18.998 2 F 0.78611607309646 0.77967232160495 0.12115669073363 18.998 3 F 0.21388392690354 0.77967232160495 0.37884330926637 18.998 4 F 0.71388392690354 0.72032767839505 0.62115669073363 18.998 5 F 0.71388392690354 0.27967232160495 0.12115669073363 18.998 6 F 0.21388392690354 0.22032767839505 0.87884330926637 18.998 7 F 0.78611607309646 0.22032767839505 0.62115669073363 18.998 8 F 0.28611607309646 0.27967232160495 0.37884330926637 18.998 9 F 0.19783196797162 0.99937794156401 0.98109533212442 18.998 10 F 0.69783196797162 0.50062205843599 0.01890466787558 18.998 11 F 0.30216803202838 0.50062205843599 0.48109533212442 18.998 12 F 0.80216803202838 0.99937794156401 0.51890466787558 18.998 13 F 0.80216803202838 0.00062205843599 0.01890466787558 18.998 14 F 0.30216803202838 0.49937794156401 0.98109533212442 18.998 15 F 0.69783196797162 0.49937794156401 0.51890466787558 18.998 16 F 0.19783196797162 0.00062205843599 0.48109533212442 18.998 17 F 0.01980248850174 0.84290485378545 0.88629326650526 18.998 18 F 0.47984924174890 0.88095525216543 0.96565823157446 18.998 19 F 0.51980248850175 0.65709514621455 0.11370673349474 18.998 20 F 0.98019751149825 0.84290485378545 0.61370673349474 18.998 21 F 0.98019751149825 0.15709514621455 0.11370673349474 18.998 22 F 0.48019751149826 0.34290485378545 0.88629326650526 18.998 23 F 0.51980248850175 0.34290485378545 0.61370673349474 18.998 24 F 0.01980248850174 0.15709514621455 0.38629326650526 18.998 25 F 0.21234653774926 0.41799121566372 0.76236050351914 18.998 26 F 0.71234653774926 0.08200878433628 0.23763949648086 18.998 27 F 0.28765346225074 0.08200878433628 0.26236050351914 18.998 28 F 0.78765346225074 0.41799121566372 0.73763949648086 18.998 29 F 0.78765346225074 0.58200878433628 0.23763949648086 18.998 30 F 0.28765346225074 0.91799121566372 0.76236050351914 18.998 31 F 0.71234653774926 0.91799121566372 0.73763949648086 18.998 32 F 0.21234653774926 0.58200878433628 0.26236050351914 18.998 33 F 0.21794737979712 0.18730533415156 0.59321687319309 18.998 34 F 0.71794737979712 0.31269466584844 0.40678312680691 18.998 35 F 0.28205262020288 0.31269466584844 0.09321687319309 18.998 36 F 0.78205262020288 0.18730533415156 0.90678312680691 18.998 37 F 0.78205262020288 0.81269466584844 0.40678312680691 18.998 38 F 0.28205262020288 0.68730533415156 0.59321687319309 18.998 39 F 0.71794737979712 0.68730533415156 0.90678312680691 18.998 40 F 0.21794737979712 0.81269466584844 0.09321687319309 18.998 41 F 0.47984924174890 0.11904474783457 0.46565823157446 18.998 42 F 0.97984924174890 0.38095525216542 0.53434176842554 18.998 43 F 0.02015075825110 0.38095525216542 0.96565823157446 18.998 44 F 0.52015075825110 0.11904474783457 0.03434176842554 18.998 45 F 0.52015075825110 0.88095525216543 0.53434176842554 18.998 46 F 0.02015075825110 0.61904474783457 0.46565823157446 18.998 47 F 0.97984924174890 0.61904474783457 0.03434176842554 18.998 48 F 0.48019751149826 0.65709514621455 0.38629326650526 18.998 49 Na 0.74696467019527 0.14244773999508 0.42578788748011 22.990 50 Na 0.24696467019527 0.35755226000492 0.57421211251989 22.990 51 Na 0.75303532980473 0.35755226000492 0.92578788748011 22.990 52 Na 0.25303532980473 0.14244773999508 0.07421211251989 22.990 53 Na 0.25303532980473 0.85755226000492 0.57421211251989 22.990 54 Na 0.75303532980473 0.64244773999508 0.42578788748011 22.990 55 Na 0.24696467019527 0.64244773999508 0.07421211251989 22.990 56 Na 0.74696467019527 0.85755226000492 0.92578788748011 22.990 57 Sn 0.25022565652557 0.13770082332117 0.42561601337341 118.710 58 Sn 0.74977434347443 0.13770082332117 0.07438398662659 118.710 59 Sn 0.24977434347443 0.36229917667883 0.92561601337341 118.710 60 Sn 0.24977434347443 0.63770082332117 0.42561601337341 118.710 61 Sn 0.75022565652557 0.63770082332117 0.07438398662659 118.710 62 Sn 0.74977434347443 0.86229917667883 0.57438398662659 118.710 63 Sn 0.25022565652557 0.86229917667883 0.92561601337341 118.710 64 Sn 0.75022565652557 0.36229917667883 0.57438398662659 118.710 65 Cs 0.50000000000000 0.11990551209255 0.75000000000000 132.905 66 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 67 Cs 0.50000000000000 0.88009448790745 0.25000000000000 132.905 68 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 69 Cs 0.50000000000000 0.43120194758395 0.25000000000000 132.905 70 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 71 Cs 0.50000000000000 0.56879805241605 0.75000000000000 132.905 72 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.653739000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): 1 F 0.14305803654823 0.72032767839505 0.87884330926637 18.998 > 1 2 F 0.64305803654823 0.72032767839505 0.87884330926637 18.998 > 1 3 F 0.39305803654823 0.77967232160495 0.12115669073363 18.998 > 3 4 F 0.89305803654823 0.77967232160495 0.12115669073363 18.998 > 3 5 F 0.10694196345177 0.77967232160495 0.37884330926637 18.998 > 5 6 F 0.60694196345177 0.77967232160495 0.37884330926637 18.998 > 5 7 F 0.35694196345177 0.72032767839505 0.62115669073363 18.998 > 7 8 F 0.85694196345177 0.72032767839505 0.62115669073363 18.998 > 7 9 F 0.35694196345177 0.27967232160495 0.12115669073363 18.998 > 9 10 F 0.85694196345177 0.27967232160495 0.12115669073363 18.998 > 9 11 F 0.10694196345177 0.22032767839505 0.87884330926637 18.998 > 11 12 F 0.60694196345177 0.22032767839505 0.87884330926637 18.998 > 11 13 F 0.39305803654823 0.22032767839505 0.62115669073363 18.998 > 13 14 F 0.89305803654823 0.22032767839505 0.62115669073363 18.998 > 13 15 F 0.14305803654823 0.27967232160495 0.37884330926637 18.998 > 15 16 F 0.64305803654823 0.27967232160495 0.37884330926637 18.998 > 15 17 F 0.09891598398581 0.99937794156401 0.98109533212442 18.998 > 17 18 F 0.59891598398581 0.99937794156401 0.98109533212442 18.998 > 17 19 F 0.34891598398581 0.50062205843599 0.01890466787558 18.998 > 19 20 F 0.84891598398581 0.50062205843599 0.01890466787558 18.998 > 19 21 F 0.15108401601419 0.50062205843599 0.48109533212442 18.998 > 21 22 F 0.65108401601419 0.50062205843599 0.48109533212442 18.998 > 21 23 F 0.40108401601419 0.99937794156401 0.51890466787558 18.998 > 23 24 F 0.90108401601419 0.99937794156401 0.51890466787558 18.998 > 23 25 F 0.40108401601419 0.00062205843599 0.01890466787558 18.998 > 25 26 F 0.90108401601419 0.00062205843599 0.01890466787558 18.998 > 25 27 F 0.15108401601419 0.49937794156401 0.98109533212442 18.998 > 27 28 F 0.65108401601419 0.49937794156401 0.98109533212442 18.998 > 27 29 F 0.34891598398581 0.49937794156401 0.51890466787558 18.998 > 29 30 F 0.84891598398581 0.49937794156401 0.51890466787558 18.998 > 29 31 F 0.09891598398581 0.00062205843599 0.48109533212442 18.998 > 31 32 F 0.59891598398581 0.00062205843599 0.48109533212442 18.998 > 31 33 F 0.00990124425087 0.84290485378545 0.88629326650526 18.998 > 33 34 F 0.50990124425087 0.84290485378545 0.88629326650526 18.998 > 33 35 F 0.23992462087445 0.88095525216543 0.96565823157446 18.998 > 35 36 F 0.73992462087445 0.88095525216543 0.96565823157446 18.998 > 35 37 F 0.25990124425087 0.65709514621455 0.11370673349474 18.998 > 37 38 F 0.75990124425087 0.65709514621455 0.11370673349474 18.998 > 37 39 F 0.49009875574913 0.84290485378545 0.61370673349474 18.998 > 39 40 F 0.99009875574913 0.84290485378545 0.61370673349474 18.998 > 39 41 F 0.49009875574913 0.15709514621455 0.11370673349474 18.998 > 41 42 F 0.99009875574913 0.15709514621455 0.11370673349474 18.998 > 41 43 F 0.24009875574913 0.34290485378545 0.88629326650526 18.998 > 43 44 F 0.74009875574913 0.34290485378545 0.88629326650526 18.998 > 43 45 F 0.25990124425087 0.34290485378545 0.61370673349474 18.998 > 45 46 F 0.75990124425087 0.34290485378545 0.61370673349474 18.998 > 45 47 F 0.00990124425087 0.15709514621455 0.38629326650526 18.998 > 47 48 F 0.50990124425087 0.15709514621455 0.38629326650526 18.998 > 47 49 F 0.10617326887463 0.41799121566372 0.76236050351914 18.998 > 49 50 F 0.60617326887463 0.41799121566372 0.76236050351914 18.998 > 49 51 F 0.35617326887463 0.08200878433628 0.23763949648086 18.998 > 51 52 F 0.85617326887463 0.08200878433628 0.23763949648086 18.998 > 51 53 F 0.14382673112537 0.08200878433628 0.26236050351914 18.998 > 53 54 F 0.64382673112537 0.08200878433628 0.26236050351914 18.998 > 53 55 F 0.39382673112537 0.41799121566372 0.73763949648086 18.998 > 55 56 F 0.89382673112537 0.41799121566372 0.73763949648086 18.998 > 55 57 F 0.39382673112537 0.58200878433628 0.23763949648086 18.998 > 57 58 F 0.89382673112537 0.58200878433628 0.23763949648086 18.998 > 57 59 F 0.14382673112537 0.91799121566372 0.76236050351914 18.998 > 59 60 F 0.64382673112537 0.91799121566372 0.76236050351914 18.998 > 59 61 F 0.35617326887463 0.91799121566372 0.73763949648086 18.998 > 61 62 F 0.85617326887463 0.91799121566372 0.73763949648086 18.998 > 61 63 F 0.10617326887463 0.58200878433628 0.26236050351914 18.998 > 63 64 F 0.60617326887463 0.58200878433628 0.26236050351914 18.998 > 63 65 F 0.10897368989856 0.18730533415156 0.59321687319309 18.998 > 65 66 F 0.60897368989856 0.18730533415156 0.59321687319309 18.998 > 65 67 F 0.35897368989856 0.31269466584844 0.40678312680691 18.998 > 67 68 F 0.85897368989856 0.31269466584844 0.40678312680691 18.998 > 67 69 F 0.14102631010144 0.31269466584844 0.09321687319309 18.998 > 69 70 F 0.64102631010144 0.31269466584844 0.09321687319309 18.998 > 69 71 F 0.39102631010144 0.18730533415156 0.90678312680691 18.998 > 71 72 F 0.89102631010144 0.18730533415156 0.90678312680691 18.998 > 71 73 F 0.39102631010144 0.81269466584844 0.40678312680691 18.998 > 73 74 F 0.89102631010144 0.81269466584844 0.40678312680691 18.998 > 73 75 F 0.14102631010144 0.68730533415156 0.59321687319309 18.998 > 75 76 F 0.64102631010144 0.68730533415156 0.59321687319309 18.998 > 75 77 F 0.35897368989856 0.68730533415156 0.90678312680691 18.998 > 77 78 F 0.85897368989856 0.68730533415156 0.90678312680691 18.998 > 77 79 F 0.10897368989856 0.81269466584844 0.09321687319309 18.998 > 79 80 F 0.60897368989856 0.81269466584844 0.09321687319309 18.998 > 79 81 F 0.23992462087445 0.11904474783457 0.46565823157446 18.998 > 81 82 F 0.73992462087445 0.11904474783457 0.46565823157446 18.998 > 81 83 F 0.48992462087445 0.38095525216542 0.53434176842554 18.998 > 83 84 F 0.98992462087445 0.38095525216542 0.53434176842554 18.998 > 83 85 F 0.01007537912555 0.38095525216542 0.96565823157446 18.998 > 85 86 F 0.51007537912555 0.38095525216542 0.96565823157446 18.998 > 85 87 F 0.26007537912555 0.11904474783457 0.03434176842554 18.998 > 87 88 F 0.76007537912555 0.11904474783457 0.03434176842554 18.998 > 87 89 F 0.26007537912555 0.88095525216543 0.53434176842554 18.998 > 89 90 F 0.76007537912555 0.88095525216543 0.53434176842554 18.998 > 89 91 F 0.01007537912555 0.61904474783457 0.46565823157446 18.998 > 91 92 F 0.51007537912555 0.61904474783457 0.46565823157446 18.998 > 91 93 F 0.48992462087445 0.61904474783457 0.03434176842554 18.998 > 93 94 F 0.98992462087445 0.61904474783457 0.03434176842554 18.998 > 93 95 F 0.24009875574913 0.65709514621455 0.38629326650526 18.998 > 95 96 F 0.74009875574913 0.65709514621455 0.38629326650526 18.998 > 95 97 Na 0.37348233509763 0.14244773999508 0.42578788748011 22.990 > 97 98 Na 0.87348233509763 0.14244773999508 0.42578788748011 22.990 > 97 99 Na 0.12348233509763 0.35755226000492 0.57421211251989 22.990 > 99 100 Na 0.62348233509763 0.35755226000492 0.57421211251989 22.990 > 99 101 Na 0.37651766490237 0.35755226000492 0.92578788748011 22.990 > 101 102 Na 0.87651766490237 0.35755226000492 0.92578788748011 22.990 > 101 103 Na 0.12651766490237 0.14244773999508 0.07421211251989 22.990 > 103 104 Na 0.62651766490237 0.14244773999508 0.07421211251989 22.990 > 103 105 Na 0.12651766490237 0.85755226000492 0.57421211251989 22.990 > 105 106 Na 0.62651766490237 0.85755226000492 0.57421211251989 22.990 > 105 107 Na 0.37651766490237 0.64244773999508 0.42578788748011 22.990 > 107 108 Na 0.87651766490237 0.64244773999508 0.42578788748011 22.990 > 107 109 Na 0.12348233509763 0.64244773999508 0.07421211251989 22.990 > 109 110 Na 0.62348233509763 0.64244773999508 0.07421211251989 22.990 > 109 111 Na 0.37348233509763 0.85755226000492 0.92578788748011 22.990 > 111 112 Na 0.87348233509763 0.85755226000492 0.92578788748011 22.990 > 111 113 Sn 0.12511282826278 0.13770082332117 0.42561601337341 118.710 > 113 114 Sn 0.62511282826278 0.13770082332117 0.42561601337341 118.710 > 113 115 Sn 0.37488717173722 0.13770082332117 0.07438398662659 118.710 > 115 116 Sn 0.87488717173722 0.13770082332117 0.07438398662659 118.710 > 115 117 Sn 0.12488717173722 0.36229917667883 0.92561601337341 118.710 > 117 118 Sn 0.62488717173722 0.36229917667883 0.92561601337341 118.710 > 117 119 Sn 0.12488717173722 0.63770082332117 0.42561601337341 118.710 > 119 120 Sn 0.62488717173722 0.63770082332117 0.42561601337341 118.710 > 119 121 Sn 0.37511282826278 0.63770082332117 0.07438398662659 118.710 > 121 122 Sn 0.87511282826278 0.63770082332117 0.07438398662659 118.710 > 121 123 Sn 0.37488717173722 0.86229917667883 0.57438398662659 118.710 > 123 124 Sn 0.87488717173722 0.86229917667883 0.57438398662659 118.710 > 123 125 Sn 0.12511282826278 0.86229917667883 0.92561601337341 118.710 > 125 126 Sn 0.62511282826278 0.86229917667883 0.92561601337341 118.710 > 125 127 Sn 0.37511282826278 0.36229917667883 0.57438398662659 118.710 > 127 128 Sn 0.87511282826278 0.36229917667883 0.57438398662659 118.710 > 127 129 Cs 0.25000000000000 0.11990551209255 0.75000000000000 132.905 > 129 130 Cs 0.75000000000000 0.11990551209255 0.75000000000000 132.905 > 129 131 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 > 131 132 Cs 0.50000000000000 0.38009448790745 0.25000000000000 132.905 > 131 133 Cs 0.25000000000000 0.88009448790745 0.25000000000000 132.905 > 133 134 Cs 0.75000000000000 0.88009448790745 0.25000000000000 132.905 > 133 135 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 > 135 136 Cs 0.50000000000000 0.06879805241605 0.75000000000000 132.905 > 135 137 Cs 0.25000000000000 0.43120194758395 0.25000000000000 132.905 > 137 138 Cs 0.75000000000000 0.43120194758395 0.25000000000000 132.905 > 137 139 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 > 139 140 Cs 0.50000000000000 0.93120194758395 0.25000000000000 132.905 > 139 141 Cs 0.25000000000000 0.56879805241605 0.75000000000000 132.905 > 141 142 Cs 0.75000000000000 0.56879805241605 0.75000000000000 132.905 > 141 143 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 > 143 144 Cs 0.50000000000000 0.61990551209255 0.75000000000000 132.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1128378 0.0000000 0.0000000 0.0000000 2.1233548 0.0000000 0.0000000 0.0000000 2.1190034 -------------------------- Born effective charges -------------------------- 1 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 2 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 3 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 4 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 5 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 6 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 7 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 8 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 9 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 10 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 11 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 12 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 13 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 14 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 15 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 16 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 17 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 18 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 19 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 20 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 21 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 22 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 23 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 24 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 25 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 26 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 27 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 28 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 29 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 30 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 31 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 32 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 33 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 34 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 35 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 36 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 37 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 38 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 39 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 40 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 41 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 42 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 43 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 44 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 45 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 46 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 47 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 48 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 49 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 50 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 51 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 52 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 53 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 54 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 55 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 56 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 57 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 58 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 59 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 60 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 61 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 62 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 63 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 64 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 65 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 66 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 67 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 68 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 69 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 70 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 71 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 72 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 97, 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[ 113, 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[ 129, 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[ 135, 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 00:34:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:34:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.326869500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): 1 F 0.28611607309646 0.72032767839505 0.87884330926637 18.998 2 F 0.78611607309646 0.77967232160495 0.12115669073363 18.998 3 F 0.21388392690354 0.77967232160495 0.37884330926637 18.998 4 F 0.71388392690354 0.72032767839505 0.62115669073363 18.998 5 F 0.71388392690354 0.27967232160495 0.12115669073363 18.998 6 F 0.21388392690354 0.22032767839505 0.87884330926637 18.998 7 F 0.78611607309646 0.22032767839505 0.62115669073363 18.998 8 F 0.28611607309646 0.27967232160495 0.37884330926637 18.998 9 F 0.19783196797162 0.99937794156401 0.98109533212442 18.998 10 F 0.69783196797162 0.50062205843599 0.01890466787558 18.998 11 F 0.30216803202838 0.50062205843599 0.48109533212442 18.998 12 F 0.80216803202838 0.99937794156401 0.51890466787558 18.998 13 F 0.80216803202838 0.00062205843599 0.01890466787558 18.998 14 F 0.30216803202838 0.49937794156401 0.98109533212442 18.998 15 F 0.69783196797162 0.49937794156401 0.51890466787558 18.998 16 F 0.19783196797162 0.00062205843599 0.48109533212442 18.998 17 F 0.01980248850174 0.84290485378545 0.88629326650526 18.998 18 F 0.47984924174890 0.88095525216543 0.96565823157446 18.998 19 F 0.51980248850175 0.65709514621455 0.11370673349474 18.998 20 F 0.98019751149825 0.84290485378545 0.61370673349474 18.998 21 F 0.98019751149825 0.15709514621455 0.11370673349474 18.998 22 F 0.48019751149826 0.34290485378545 0.88629326650526 18.998 23 F 0.51980248850175 0.34290485378545 0.61370673349474 18.998 24 F 0.01980248850174 0.15709514621455 0.38629326650526 18.998 25 F 0.21234653774926 0.41799121566372 0.76236050351914 18.998 26 F 0.71234653774926 0.08200878433628 0.23763949648086 18.998 27 F 0.28765346225074 0.08200878433628 0.26236050351914 18.998 28 F 0.78765346225074 0.41799121566372 0.73763949648086 18.998 29 F 0.78765346225074 0.58200878433628 0.23763949648086 18.998 30 F 0.28765346225074 0.91799121566372 0.76236050351914 18.998 31 F 0.71234653774926 0.91799121566372 0.73763949648086 18.998 32 F 0.21234653774926 0.58200878433628 0.26236050351914 18.998 33 F 0.21794737979712 0.18730533415156 0.59321687319309 18.998 34 F 0.71794737979712 0.31269466584844 0.40678312680691 18.998 35 F 0.28205262020288 0.31269466584844 0.09321687319309 18.998 36 F 0.78205262020288 0.18730533415156 0.90678312680691 18.998 37 F 0.78205262020288 0.81269466584844 0.40678312680691 18.998 38 F 0.28205262020288 0.68730533415156 0.59321687319309 18.998 39 F 0.71794737979712 0.68730533415156 0.90678312680691 18.998 40 F 0.21794737979712 0.81269466584844 0.09321687319309 18.998 41 F 0.47984924174890 0.11904474783457 0.46565823157446 18.998 42 F 0.97984924174890 0.38095525216542 0.53434176842554 18.998 43 F 0.02015075825110 0.38095525216542 0.96565823157446 18.998 44 F 0.52015075825110 0.11904474783457 0.03434176842554 18.998 45 F 0.52015075825110 0.88095525216543 0.53434176842554 18.998 46 F 0.02015075825110 0.61904474783457 0.46565823157446 18.998 47 F 0.97984924174890 0.61904474783457 0.03434176842554 18.998 48 F 0.48019751149826 0.65709514621455 0.38629326650526 18.998 49 Na 0.74696467019527 0.14244773999508 0.42578788748011 22.990 50 Na 0.24696467019527 0.35755226000492 0.57421211251989 22.990 51 Na 0.75303532980473 0.35755226000492 0.92578788748011 22.990 52 Na 0.25303532980473 0.14244773999508 0.07421211251989 22.990 53 Na 0.25303532980473 0.85755226000492 0.57421211251989 22.990 54 Na 0.75303532980473 0.64244773999508 0.42578788748011 22.990 55 Na 0.24696467019527 0.64244773999508 0.07421211251989 22.990 56 Na 0.74696467019527 0.85755226000492 0.92578788748011 22.990 57 Sn 0.25022565652557 0.13770082332117 0.42561601337341 118.710 58 Sn 0.74977434347443 0.13770082332117 0.07438398662659 118.710 59 Sn 0.24977434347443 0.36229917667883 0.92561601337341 118.710 60 Sn 0.24977434347443 0.63770082332117 0.42561601337341 118.710 61 Sn 0.75022565652557 0.63770082332117 0.07438398662659 118.710 62 Sn 0.74977434347443 0.86229917667883 0.57438398662659 118.710 63 Sn 0.25022565652557 0.86229917667883 0.92561601337341 118.710 64 Sn 0.75022565652557 0.36229917667883 0.57438398662659 118.710 65 Cs 0.50000000000000 0.11990551209255 0.75000000000000 132.905 66 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 67 Cs 0.50000000000000 0.88009448790745 0.25000000000000 132.905 68 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 69 Cs 0.50000000000000 0.43120194758395 0.25000000000000 132.905 70 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 71 Cs 0.50000000000000 0.56879805241605 0.75000000000000 132.905 72 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.653739000000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.383340349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.162030290000001 Atomic positions (fractional): 1 F 0.14305803654823 0.72032767839505 0.87884330926637 18.998 > 1 2 F 0.64305803654823 0.72032767839505 0.87884330926637 18.998 > 1 3 F 0.39305803654823 0.77967232160495 0.12115669073363 18.998 > 3 4 F 0.89305803654823 0.77967232160495 0.12115669073363 18.998 > 3 5 F 0.10694196345177 0.77967232160495 0.37884330926637 18.998 > 5 6 F 0.60694196345177 0.77967232160495 0.37884330926637 18.998 > 5 7 F 0.35694196345177 0.72032767839505 0.62115669073363 18.998 > 7 8 F 0.85694196345177 0.72032767839505 0.62115669073363 18.998 > 7 9 F 0.35694196345177 0.27967232160495 0.12115669073363 18.998 > 9 10 F 0.85694196345177 0.27967232160495 0.12115669073363 18.998 > 9 11 F 0.10694196345177 0.22032767839505 0.87884330926637 18.998 > 11 12 F 0.60694196345177 0.22032767839505 0.87884330926637 18.998 > 11 13 F 0.39305803654823 0.22032767839505 0.62115669073363 18.998 > 13 14 F 0.89305803654823 0.22032767839505 0.62115669073363 18.998 > 13 15 F 0.14305803654823 0.27967232160495 0.37884330926637 18.998 > 15 16 F 0.64305803654823 0.27967232160495 0.37884330926637 18.998 > 15 17 F 0.09891598398581 0.99937794156401 0.98109533212442 18.998 > 17 18 F 0.59891598398581 0.99937794156401 0.98109533212442 18.998 > 17 19 F 0.34891598398581 0.50062205843599 0.01890466787558 18.998 > 19 20 F 0.84891598398581 0.50062205843599 0.01890466787558 18.998 > 19 21 F 0.15108401601419 0.50062205843599 0.48109533212442 18.998 > 21 22 F 0.65108401601419 0.50062205843599 0.48109533212442 18.998 > 21 23 F 0.40108401601419 0.99937794156401 0.51890466787558 18.998 > 23 24 F 0.90108401601419 0.99937794156401 0.51890466787558 18.998 > 23 25 F 0.40108401601419 0.00062205843599 0.01890466787558 18.998 > 25 26 F 0.90108401601419 0.00062205843599 0.01890466787558 18.998 > 25 27 F 0.15108401601419 0.49937794156401 0.98109533212442 18.998 > 27 28 F 0.65108401601419 0.49937794156401 0.98109533212442 18.998 > 27 29 F 0.34891598398581 0.49937794156401 0.51890466787558 18.998 > 29 30 F 0.84891598398581 0.49937794156401 0.51890466787558 18.998 > 29 31 F 0.09891598398581 0.00062205843599 0.48109533212442 18.998 > 31 32 F 0.59891598398581 0.00062205843599 0.48109533212442 18.998 > 31 33 F 0.00990124425087 0.84290485378545 0.88629326650526 18.998 > 33 34 F 0.50990124425087 0.84290485378545 0.88629326650526 18.998 > 33 35 F 0.23992462087445 0.88095525216543 0.96565823157446 18.998 > 35 36 F 0.73992462087445 0.88095525216543 0.96565823157446 18.998 > 35 37 F 0.25990124425087 0.65709514621455 0.11370673349474 18.998 > 37 38 F 0.75990124425087 0.65709514621455 0.11370673349474 18.998 > 37 39 F 0.49009875574913 0.84290485378545 0.61370673349474 18.998 > 39 40 F 0.99009875574913 0.84290485378545 0.61370673349474 18.998 > 39 41 F 0.49009875574913 0.15709514621455 0.11370673349474 18.998 > 41 42 F 0.99009875574913 0.15709514621455 0.11370673349474 18.998 > 41 43 F 0.24009875574913 0.34290485378545 0.88629326650526 18.998 > 43 44 F 0.74009875574913 0.34290485378545 0.88629326650526 18.998 > 43 45 F 0.25990124425087 0.34290485378545 0.61370673349474 18.998 > 45 46 F 0.75990124425087 0.34290485378545 0.61370673349474 18.998 > 45 47 F 0.00990124425087 0.15709514621455 0.38629326650526 18.998 > 47 48 F 0.50990124425087 0.15709514621455 0.38629326650526 18.998 > 47 49 F 0.10617326887463 0.41799121566372 0.76236050351914 18.998 > 49 50 F 0.60617326887463 0.41799121566372 0.76236050351914 18.998 > 49 51 F 0.35617326887463 0.08200878433628 0.23763949648086 18.998 > 51 52 F 0.85617326887463 0.08200878433628 0.23763949648086 18.998 > 51 53 F 0.14382673112537 0.08200878433628 0.26236050351914 18.998 > 53 54 F 0.64382673112537 0.08200878433628 0.26236050351914 18.998 > 53 55 F 0.39382673112537 0.41799121566372 0.73763949648086 18.998 > 55 56 F 0.89382673112537 0.41799121566372 0.73763949648086 18.998 > 55 57 F 0.39382673112537 0.58200878433628 0.23763949648086 18.998 > 57 58 F 0.89382673112537 0.58200878433628 0.23763949648086 18.998 > 57 59 F 0.14382673112537 0.91799121566372 0.76236050351914 18.998 > 59 60 F 0.64382673112537 0.91799121566372 0.76236050351914 18.998 > 59 61 F 0.35617326887463 0.91799121566372 0.73763949648086 18.998 > 61 62 F 0.85617326887463 0.91799121566372 0.73763949648086 18.998 > 61 63 F 0.10617326887463 0.58200878433628 0.26236050351914 18.998 > 63 64 F 0.60617326887463 0.58200878433628 0.26236050351914 18.998 > 63 65 F 0.10897368989856 0.18730533415156 0.59321687319309 18.998 > 65 66 F 0.60897368989856 0.18730533415156 0.59321687319309 18.998 > 65 67 F 0.35897368989856 0.31269466584844 0.40678312680691 18.998 > 67 68 F 0.85897368989856 0.31269466584844 0.40678312680691 18.998 > 67 69 F 0.14102631010144 0.31269466584844 0.09321687319309 18.998 > 69 70 F 0.64102631010144 0.31269466584844 0.09321687319309 18.998 > 69 71 F 0.39102631010144 0.18730533415156 0.90678312680691 18.998 > 71 72 F 0.89102631010144 0.18730533415156 0.90678312680691 18.998 > 71 73 F 0.39102631010144 0.81269466584844 0.40678312680691 18.998 > 73 74 F 0.89102631010144 0.81269466584844 0.40678312680691 18.998 > 73 75 F 0.14102631010144 0.68730533415156 0.59321687319309 18.998 > 75 76 F 0.64102631010144 0.68730533415156 0.59321687319309 18.998 > 75 77 F 0.35897368989856 0.68730533415156 0.90678312680691 18.998 > 77 78 F 0.85897368989856 0.68730533415156 0.90678312680691 18.998 > 77 79 F 0.10897368989856 0.81269466584844 0.09321687319309 18.998 > 79 80 F 0.60897368989856 0.81269466584844 0.09321687319309 18.998 > 79 81 F 0.23992462087445 0.11904474783457 0.46565823157446 18.998 > 81 82 F 0.73992462087445 0.11904474783457 0.46565823157446 18.998 > 81 83 F 0.48992462087445 0.38095525216542 0.53434176842554 18.998 > 83 84 F 0.98992462087445 0.38095525216542 0.53434176842554 18.998 > 83 85 F 0.01007537912555 0.38095525216542 0.96565823157446 18.998 > 85 86 F 0.51007537912555 0.38095525216542 0.96565823157446 18.998 > 85 87 F 0.26007537912555 0.11904474783457 0.03434176842554 18.998 > 87 88 F 0.76007537912555 0.11904474783457 0.03434176842554 18.998 > 87 89 F 0.26007537912555 0.88095525216543 0.53434176842554 18.998 > 89 90 F 0.76007537912555 0.88095525216543 0.53434176842554 18.998 > 89 91 F 0.01007537912555 0.61904474783457 0.46565823157446 18.998 > 91 92 F 0.51007537912555 0.61904474783457 0.46565823157446 18.998 > 91 93 F 0.48992462087445 0.61904474783457 0.03434176842554 18.998 > 93 94 F 0.98992462087445 0.61904474783457 0.03434176842554 18.998 > 93 95 F 0.24009875574913 0.65709514621455 0.38629326650526 18.998 > 95 96 F 0.74009875574913 0.65709514621455 0.38629326650526 18.998 > 95 97 Na 0.37348233509763 0.14244773999508 0.42578788748011 22.990 > 97 98 Na 0.87348233509763 0.14244773999508 0.42578788748011 22.990 > 97 99 Na 0.12348233509763 0.35755226000492 0.57421211251989 22.990 > 99 100 Na 0.62348233509763 0.35755226000492 0.57421211251989 22.990 > 99 101 Na 0.37651766490237 0.35755226000492 0.92578788748011 22.990 > 101 102 Na 0.87651766490237 0.35755226000492 0.92578788748011 22.990 > 101 103 Na 0.12651766490237 0.14244773999508 0.07421211251989 22.990 > 103 104 Na 0.62651766490237 0.14244773999508 0.07421211251989 22.990 > 103 105 Na 0.12651766490237 0.85755226000492 0.57421211251989 22.990 > 105 106 Na 0.62651766490237 0.85755226000492 0.57421211251989 22.990 > 105 107 Na 0.37651766490237 0.64244773999508 0.42578788748011 22.990 > 107 108 Na 0.87651766490237 0.64244773999508 0.42578788748011 22.990 > 107 109 Na 0.12348233509763 0.64244773999508 0.07421211251989 22.990 > 109 110 Na 0.62348233509763 0.64244773999508 0.07421211251989 22.990 > 109 111 Na 0.37348233509763 0.85755226000492 0.92578788748011 22.990 > 111 112 Na 0.87348233509763 0.85755226000492 0.92578788748011 22.990 > 111 113 Sn 0.12511282826278 0.13770082332117 0.42561601337341 118.710 > 113 114 Sn 0.62511282826278 0.13770082332117 0.42561601337341 118.710 > 113 115 Sn 0.37488717173722 0.13770082332117 0.07438398662659 118.710 > 115 116 Sn 0.87488717173722 0.13770082332117 0.07438398662659 118.710 > 115 117 Sn 0.12488717173722 0.36229917667883 0.92561601337341 118.710 > 117 118 Sn 0.62488717173722 0.36229917667883 0.92561601337341 118.710 > 117 119 Sn 0.12488717173722 0.63770082332117 0.42561601337341 118.710 > 119 120 Sn 0.62488717173722 0.63770082332117 0.42561601337341 118.710 > 119 121 Sn 0.37511282826278 0.63770082332117 0.07438398662659 118.710 > 121 122 Sn 0.87511282826278 0.63770082332117 0.07438398662659 118.710 > 121 123 Sn 0.37488717173722 0.86229917667883 0.57438398662659 118.710 > 123 124 Sn 0.87488717173722 0.86229917667883 0.57438398662659 118.710 > 123 125 Sn 0.12511282826278 0.86229917667883 0.92561601337341 118.710 > 125 126 Sn 0.62511282826278 0.86229917667883 0.92561601337341 118.710 > 125 127 Sn 0.37511282826278 0.36229917667883 0.57438398662659 118.710 > 127 128 Sn 0.87511282826278 0.36229917667883 0.57438398662659 118.710 > 127 129 Cs 0.25000000000000 0.11990551209255 0.75000000000000 132.905 > 129 130 Cs 0.75000000000000 0.11990551209255 0.75000000000000 132.905 > 129 131 Cs 0.00000000000000 0.38009448790745 0.25000000000000 132.905 > 131 132 Cs 0.50000000000000 0.38009448790745 0.25000000000000 132.905 > 131 133 Cs 0.25000000000000 0.88009448790745 0.25000000000000 132.905 > 133 134 Cs 0.75000000000000 0.88009448790745 0.25000000000000 132.905 > 133 135 Cs 0.00000000000000 0.06879805241605 0.75000000000000 132.905 > 135 136 Cs 0.50000000000000 0.06879805241605 0.75000000000000 132.905 > 135 137 Cs 0.25000000000000 0.43120194758395 0.25000000000000 132.905 > 137 138 Cs 0.75000000000000 0.43120194758395 0.25000000000000 132.905 > 137 139 Cs 0.00000000000000 0.93120194758395 0.25000000000000 132.905 > 139 140 Cs 0.50000000000000 0.93120194758395 0.25000000000000 132.905 > 139 141 Cs 0.25000000000000 0.56879805241605 0.75000000000000 132.905 > 141 142 Cs 0.75000000000000 0.56879805241605 0.75000000000000 132.905 > 141 143 Cs 0.00000000000000 0.61990551209255 0.75000000000000 132.905 > 143 144 Cs 0.50000000000000 0.61990551209255 0.75000000000000 132.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1128378 0.0000000 0.0000000 0.0000000 2.1233548 0.0000000 0.0000000 0.0000000 2.1190034 -------------------------- Born effective charges -------------------------- 1 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 2 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 3 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 4 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 5 F -0.8094324 0.0850994 -0.0076303 0.0924892 -1.3678835 -0.2085103 0.0004512 -0.2689988 -0.8404419 6 F -0.8094324 -0.0850994 0.0076303 -0.0924892 -1.3678835 -0.2085103 -0.0004512 -0.2689988 -0.8404419 7 F -0.8094324 0.0850994 0.0076303 0.0924892 -1.3678835 0.2085103 -0.0004512 0.2689988 -0.8404419 8 F -0.8094324 -0.0850994 -0.0076303 -0.0924892 -1.3678835 0.2085103 0.0004512 0.2689988 -0.8404419 9 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 10 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 11 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 12 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 13 F -0.7671509 0.1137791 0.0084122 0.1034051 -1.2468502 -0.1248957 -0.0082591 -0.1218561 -0.9071565 14 F -0.7671509 -0.1137791 -0.0084122 -0.1034051 -1.2468502 -0.1248957 0.0082591 -0.1218561 -0.9071565 15 F -0.7671509 0.1137791 -0.0084122 0.1034051 -1.2468502 0.1248957 0.0082591 0.1218561 -0.9071565 16 F -0.7671509 -0.1137791 0.0084122 -0.1034051 -1.2468502 0.1248957 -0.0082591 0.1218561 -0.9071565 17 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 18 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 19 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 20 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 21 F -1.2733078 -0.0667379 -0.1150726 -0.0705588 -0.8526803 -0.0119216 -0.1313125 -0.0146976 -0.7611934 22 F -1.2733078 0.0667379 0.1150726 0.0705588 -0.8526803 -0.0119216 0.1313125 -0.0146976 -0.7611934 23 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 24 F -1.2733078 0.0667379 -0.1150726 0.0705588 -0.8526803 0.0119216 -0.1313125 0.0146976 -0.7611934 25 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 26 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 27 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 28 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 29 F -0.8058515 0.0261950 -0.0643236 0.0178689 -0.9312570 0.2345724 -0.0493533 0.1920414 -1.2267514 30 F -0.8058515 -0.0261950 0.0643236 -0.0178689 -0.9312570 0.2345724 0.0493533 0.1920414 -1.2267514 31 F -0.8058515 0.0261950 0.0643236 0.0178689 -0.9312570 -0.2345724 0.0493533 -0.1920414 -1.2267514 32 F -0.8058515 -0.0261950 -0.0643236 -0.0178689 -0.9312570 -0.2345724 -0.0493533 -0.1920414 -1.2267514 33 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 34 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 35 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 36 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 37 F -0.8330327 -0.0204358 0.0309937 -0.0272584 -0.8383066 -0.0585244 0.0514352 -0.0799016 -1.3269869 38 F -0.8330327 0.0204358 -0.0309937 0.0272584 -0.8383066 -0.0585244 -0.0514352 -0.0799016 -1.3269869 39 F -0.8330327 -0.0204358 -0.0309937 -0.0272584 -0.8383066 0.0585244 -0.0514352 0.0799016 -1.3269869 40 F -0.8330327 0.0204358 0.0309937 0.0272584 -0.8383066 0.0585244 0.0514352 0.0799016 -1.3269869 41 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 42 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 43 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 44 F -1.3104363 -0.0518266 -0.1395279 -0.0369167 -0.7092790 0.0170722 -0.1411184 0.0057233 -0.8573004 45 F -1.3104363 0.0518266 -0.1395279 0.0369167 -0.7092790 -0.0170722 -0.1411184 -0.0057233 -0.8573004 46 F -1.3104363 -0.0518266 0.1395279 -0.0369167 -0.7092790 -0.0170722 0.1411184 -0.0057233 -0.8573004 47 F -1.3104363 0.0518266 0.1395279 0.0369167 -0.7092790 0.0170722 0.1411184 0.0057233 -0.8573004 48 F -1.2733078 -0.0667379 0.1150726 -0.0705588 -0.8526803 0.0119216 0.1313125 0.0146976 -0.7611934 49 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 50 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 51 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 52 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 53 Na 1.1590198 0.0171876 -0.0849102 -0.0331485 1.1358380 0.0297438 0.0025815 0.0662743 1.0945282 54 Na 1.1590198 -0.0171876 0.0849102 0.0331485 1.1358380 0.0297438 -0.0025815 0.0662743 1.0945282 55 Na 1.1590198 0.0171876 0.0849102 -0.0331485 1.1358380 -0.0297438 -0.0025815 -0.0662743 1.0945282 56 Na 1.1590198 -0.0171876 -0.0849102 0.0331485 1.1358380 -0.0297438 0.0025815 -0.0662743 1.0945282 57 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 58 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 59 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 60 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 61 Sn 3.3488013 0.0069281 -0.1428659 0.0474429 3.4964123 -0.0758657 -0.1196914 -0.0232907 3.4661019 62 Sn 3.3488013 0.0069281 0.1428659 0.0474429 3.4964123 0.0758657 0.1196914 0.0232907 3.4661019 63 Sn 3.3488013 -0.0069281 0.1428659 -0.0474429 3.4964123 -0.0758657 0.1196914 -0.0232907 3.4661019 64 Sn 3.3488013 -0.0069281 -0.1428659 -0.0474429 3.4964123 0.0758657 -0.1196914 0.0232907 3.4661019 65 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 66 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 67 Cs 1.2816761 0.0000000 0.0588032 0.0000000 1.2803246 0.0000000 0.0304189 0.0000000 1.3793161 68 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 69 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 70 Cs 1.3011051 0.0000000 0.0265834 0.0000000 1.3476878 0.0000000 0.0118833 0.0000000 1.3390848 71 Cs 1.3011051 0.0000000 -0.0265834 0.0000000 1.3476878 0.0000000 -0.0118833 0.0000000 1.3390848 72 Cs 1.2816761 0.0000000 -0.0588032 0.0000000 1.2803246 0.0000000 -0.0304189 0.0000000 1.3793161 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 6 4 4 ] 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: 305, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 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 0.763 ( 0.000 0.000 0.000) 0.000 0.801 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 7.985 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.425 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 13.873 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 15.389 ( 0.000 0.000 0.000) 0.000 15.442 ( 0.000 0.000 0.000) 0.000 15.498 ( 0.000 0.000 0.000) 0.000 15.574 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.871 ( 0.000 0.000 0.000) 0.000 15.888 ( 0.000 0.000 0.000) 0.000 15.902 ( 0.000 0.000 0.000) 0.000 16.085 ( 0.000 0.000 0.000) 0.000 16.116 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.366 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 16.543 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 16.639 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.779 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 15.083 0.000 0.000) 15.083 0.332 ( 16.303 0.000 0.000) 16.303 0.634 ( 29.527 0.000 0.000) 29.527 0.819 ( 5.219 0.000 0.000) 5.219 0.872 ( 6.169 0.000 0.000) 6.169 1.001 ( 0.803 0.000 0.000) 0.803 1.015 ( 0.682 0.000 0.000) 0.682 1.019 ( -0.640 0.000 0.000) 0.640 1.041 ( -0.816 0.000 0.000) 0.816 1.124 ( 4.125 0.000 0.000) 4.125 1.125 ( -1.298 0.000 0.000) 1.298 1.159 ( 2.758 0.000 0.000) 2.758 1.211 ( -0.401 0.000 0.000) 0.401 1.252 ( 7.636 0.000 0.000) 7.636 1.255 ( -3.787 0.000 0.000) 3.787 1.288 ( 2.110 0.000 0.000) 2.110 1.356 ( 5.295 0.000 0.000) 5.295 1.387 ( -0.160 0.000 0.000) 0.160 1.408 ( 3.773 0.000 0.000) 3.773 1.478 ( -1.881 0.000 0.000) 1.881 1.511 ( 7.607 0.000 0.000) 7.607 1.522 ( -0.268 0.000 0.000) 0.268 1.541 ( -0.011 0.000 0.000) 0.011 1.598 ( 0.611 0.000 0.000) 0.611 1.601 ( -5.277 0.000 0.000) 5.277 1.622 ( 2.025 0.000 0.000) 2.025 1.638 ( 3.610 0.000 0.000) 3.610 1.666 ( 1.747 0.000 0.000) 1.747 1.708 ( -2.232 0.000 0.000) 2.232 1.721 ( -4.117 0.000 0.000) 4.117 1.796 ( -1.075 0.000 0.000) 1.075 1.803 ( -0.510 0.000 0.000) 0.510 1.970 ( 0.297 0.000 0.000) 0.297 1.971 ( 8.043 0.000 0.000) 8.043 1.974 ( 5.419 0.000 0.000) 5.419 1.996 ( 1.975 0.000 0.000) 1.975 2.022 ( 3.356 0.000 0.000) 3.356 2.033 ( 2.835 0.000 0.000) 2.835 2.060 ( -0.604 0.000 0.000) 0.604 2.086 ( 3.619 0.000 0.000) 3.619 2.090 ( 3.110 0.000 0.000) 3.110 2.095 ( -0.829 0.000 0.000) 0.829 2.150 ( 0.512 0.000 0.000) 0.512 2.252 ( -2.094 0.000 0.000) 2.094 2.260 ( -1.958 0.000 0.000) 1.958 2.273 ( -0.340 0.000 0.000) 0.340 2.280 ( -0.372 0.000 0.000) 0.372 2.335 ( 0.532 0.000 0.000) 0.532 2.383 ( 1.129 0.000 0.000) 1.129 2.390 ( 0.668 0.000 0.000) 0.668 2.411 ( -2.188 0.000 0.000) 2.188 2.455 ( 7.575 0.000 0.000) 7.575 2.468 ( -3.115 0.000 0.000) 3.115 2.509 ( 1.495 0.000 0.000) 1.495 2.543 ( -4.993 0.000 0.000) 4.993 2.617 ( 0.360 0.000 0.000) 0.360 2.630 ( -2.319 0.000 0.000) 2.319 2.634 ( -2.628 0.000 0.000) 2.628 2.640 ( 1.182 0.000 0.000) 1.182 2.644 ( 2.550 0.000 0.000) 2.550 2.654 ( 0.957 0.000 0.000) 0.957 2.822 ( -3.043 0.000 0.000) 3.043 2.827 ( 4.116 0.000 0.000) 4.116 2.839 ( -0.923 0.000 0.000) 0.923 2.855 ( 5.098 0.000 0.000) 5.098 2.883 ( 0.610 0.000 0.000) 0.610 2.920 ( 3.642 0.000 0.000) 3.642 2.960 ( -3.855 0.000 0.000) 3.855 3.001 ( 1.469 0.000 0.000) 1.469 3.046 ( -0.287 0.000 0.000) 0.287 3.054 ( -0.936 0.000 0.000) 0.936 3.176 ( -1.910 0.000 0.000) 1.910 4.039 ( 5.127 0.000 0.000) 5.127 4.167 ( 2.806 0.000 0.000) 2.806 4.212 ( 2.347 0.000 0.000) 2.347 4.228 ( -0.317 0.000 0.000) 0.317 4.232 ( 2.051 0.000 0.000) 2.051 4.246 ( 4.166 0.000 0.000) 4.166 4.347 ( 2.887 0.000 0.000) 2.887 4.387 ( 2.724 0.000 0.000) 2.724 4.387 ( -3.070 0.000 0.000) 3.070 4.426 ( 1.373 0.000 0.000) 1.373 4.497 ( 2.654 0.000 0.000) 2.654 4.573 ( -0.006 0.000 0.000) 0.006 4.590 ( 0.134 0.000 0.000) 0.134 4.596 ( -1.106 0.000 0.000) 1.106 4.603 ( -2.852 0.000 0.000) 2.852 4.667 ( 1.628 0.000 0.000) 1.628 4.695 ( -1.275 0.000 0.000) 1.275 4.696 ( -1.312 0.000 0.000) 1.312 4.766 ( 2.224 0.000 0.000) 2.224 4.833 ( 2.806 0.000 0.000) 2.806 4.834 ( 1.200 0.000 0.000) 1.200 4.866 ( 5.073 0.000 0.000) 5.073 4.991 ( -0.656 0.000 0.000) 0.656 5.071 ( 2.528 0.000 0.000) 2.528 5.131 ( -3.132 0.000 0.000) 3.132 5.187 ( -2.437 0.000 0.000) 2.437 5.209 ( 0.805 0.000 0.000) 0.805 5.241 ( -1.203 0.000 0.000) 1.203 5.258 ( 3.592 0.000 0.000) 3.592 5.333 ( 2.523 0.000 0.000) 2.523 5.395 ( 4.689 0.000 0.000) 4.689 5.396 ( 0.134 0.000 0.000) 0.134 5.447 ( -1.724 0.000 0.000) 1.724 5.485 ( -1.720 0.000 0.000) 1.720 5.491 ( 1.480 0.000 0.000) 1.480 5.529 ( 2.089 0.000 0.000) 2.089 5.536 ( 0.298 0.000 0.000) 0.298 5.542 ( -1.542 0.000 0.000) 1.542 5.790 ( 0.291 0.000 0.000) 0.291 5.907 ( 1.419 0.000 0.000) 1.419 5.940 ( -5.248 0.000 0.000) 5.248 6.073 ( -0.650 0.000 0.000) 0.650 6.218 ( -1.700 0.000 0.000) 1.700 6.222 ( -3.917 0.000 0.000) 3.917 6.315 ( -1.982 0.000 0.000) 1.982 6.379 ( -2.383 0.000 0.000) 2.383 6.389 ( 0.701 0.000 0.000) 0.701 6.458 ( -0.078 0.000 0.000) 0.078 6.514 ( 2.672 0.000 0.000) 2.672 6.535 ( 5.243 0.000 0.000) 5.243 6.583 ( 1.688 0.000 0.000) 1.688 6.608 ( -0.935 0.000 0.000) 0.935 6.672 ( 5.993 0.000 0.000) 5.993 6.693 ( 0.778 0.000 0.000) 0.778 6.732 ( -0.288 0.000 0.000) 0.288 6.764 ( 2.855 0.000 0.000) 2.855 6.821 ( -0.026 0.000 0.000) 0.026 6.882 ( 2.730 0.000 0.000) 2.730 6.898 ( 2.864 0.000 0.000) 2.864 6.910 ( 1.663 0.000 0.000) 1.663 6.991 ( -1.669 0.000 0.000) 1.669 7.028 ( -3.035 0.000 0.000) 3.035 7.080 ( -2.803 0.000 0.000) 2.803 7.110 ( -3.018 0.000 0.000) 3.018 7.119 ( -2.156 0.000 0.000) 2.156 7.142 ( -1.187 0.000 0.000) 1.187 7.169 ( -0.941 0.000 0.000) 0.941 7.228 ( -0.593 0.000 0.000) 0.593 7.243 ( 0.142 0.000 0.000) 0.142 7.262 ( -0.341 0.000 0.000) 0.341 7.315 ( 0.844 0.000 0.000) 0.844 7.348 ( -2.567 0.000 0.000) 2.567 7.394 ( -1.717 0.000 0.000) 1.717 7.483 ( 3.538 0.000 0.000) 3.538 7.570 ( -1.720 0.000 0.000) 1.720 7.584 ( -7.435 0.000 0.000) 7.435 7.623 ( -0.518 0.000 0.000) 0.518 7.721 ( 0.486 0.000 0.000) 0.486 7.747 ( -6.237 0.000 0.000) 6.237 7.754 ( -8.890 0.000 0.000) 8.890 7.770 ( 3.281 0.000 0.000) 3.281 7.789 ( 1.150 0.000 0.000) 1.150 7.807 ( -1.630 0.000 0.000) 1.630 7.965 ( 0.049 0.000 0.000) 0.049 7.968 ( 0.086 0.000 0.000) 0.086 8.008 ( -0.535 0.000 0.000) 0.535 8.009 ( 2.514 0.000 0.000) 2.514 8.026 ( 3.251 0.000 0.000) 3.251 8.253 ( -2.644 0.000 0.000) 2.644 8.316 ( 1.086 0.000 0.000) 1.086 8.402 ( -3.013 0.000 0.000) 3.013 8.436 ( 4.554 0.000 0.000) 4.554 8.490 ( -3.755 0.000 0.000) 3.755 8.510 ( -3.821 0.000 0.000) 3.821 8.543 ( -4.643 0.000 0.000) 4.643 9.028 ( -5.596 0.000 0.000) 5.596 13.358 ( 2.055 0.000 0.000) 2.055 13.409 ( 0.734 0.000 0.000) 0.734 13.435 ( 0.673 0.000 0.000) 0.673 13.439 ( 1.169 0.000 0.000) 1.169 13.483 ( -0.233 0.000 0.000) 0.233 13.543 ( 0.410 0.000 0.000) 0.410 13.669 ( -2.485 0.000 0.000) 2.485 13.699 ( -2.539 0.000 0.000) 2.539 13.816 ( 1.847 0.000 0.000) 1.847 13.825 ( 1.818 0.000 0.000) 1.818 13.829 ( -2.152 0.000 0.000) 2.152 13.864 ( -0.734 0.000 0.000) 0.734 13.950 ( -2.784 0.000 0.000) 2.784 14.010 ( -3.931 0.000 0.000) 3.931 14.330 ( -5.297 0.000 0.000) 5.297 14.355 ( -5.425 0.000 0.000) 5.425 15.391 ( 0.142 0.000 0.000) 0.142 15.438 ( -0.363 0.000 0.000) 0.363 15.507 ( 0.903 0.000 0.000) 0.903 15.598 ( -0.679 0.000 0.000) 0.679 15.670 ( -4.394 0.000 0.000) 4.394 15.671 ( -3.747 0.000 0.000) 3.747 15.699 ( 0.228 0.000 0.000) 0.228 15.745 ( -2.053 0.000 0.000) 2.053 15.838 ( -2.593 0.000 0.000) 2.593 15.869 ( -0.144 0.000 0.000) 0.144 15.892 ( -1.077 0.000 0.000) 1.077 16.034 ( -5.763 0.000 0.000) 5.763 16.086 ( -5.635 0.000 0.000) 5.635 16.123 ( -3.437 0.000 0.000) 3.437 16.144 ( -7.187 0.000 0.000) 7.187 16.191 ( -3.313 0.000 0.000) 3.313 16.371 ( 5.568 0.000 0.000) 5.568 16.375 ( 3.361 0.000 0.000) 3.361 16.405 ( 4.069 0.000 0.000) 4.069 16.409 ( 2.727 0.000 0.000) 2.727 16.429 ( 6.889 0.000 0.000) 6.889 16.535 ( 4.603 0.000 0.000) 4.603 16.585 ( 0.897 0.000 0.000) 0.897 16.633 ( 7.468 0.000 0.000) 7.468 16.634 ( 0.955 0.000 0.000) 0.955 16.636 ( -0.197 0.000 0.000) 0.197 16.685 ( 0.205 0.000 0.000) 0.205 16.797 ( 5.505 0.000 0.000) 5.505 16.858 ( 5.846 0.000 0.000) 5.846 16.971 ( 3.217 0.000 0.000) 3.217 17.044 ( 1.020 0.000 0.000) 1.020 17.240 ( -2.830 0.000 0.000) 2.830 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 13.734 0.000 0.000) 13.734 0.645 ( 14.742 0.000 0.000) 14.742 0.948 ( 6.858 0.000 0.000) 6.858 0.990 ( -4.134 0.000 0.000) 4.134 0.990 ( 3.245 0.000 0.000) 3.245 0.995 ( 1.259 0.000 0.000) 1.259 1.044 ( 1.153 0.000 0.000) 1.153 1.053 ( 5.617 0.000 0.000) 5.617 1.086 ( 1.207 0.000 0.000) 1.207 1.098 ( -1.635 0.000 0.000) 1.635 1.181 ( -2.934 0.000 0.000) 2.934 1.204 ( 2.721 0.000 0.000) 2.721 1.222 ( 3.778 0.000 0.000) 3.778 1.248 ( 13.573 0.000 0.000) 13.573 1.274 ( -0.268 0.000 0.000) 0.268 1.348 ( -4.144 0.000 0.000) 4.144 1.399 ( -1.810 0.000 0.000) 1.810 1.435 ( 5.910 0.000 0.000) 5.910 1.471 ( 2.450 0.000 0.000) 2.450 1.471 ( 1.599 0.000 0.000) 1.599 1.492 ( -3.161 0.000 0.000) 3.161 1.537 ( 1.850 0.000 0.000) 1.850 1.540 ( -0.399 0.000 0.000) 0.399 1.558 ( -0.112 0.000 0.000) 0.112 1.586 ( -1.374 0.000 0.000) 1.374 1.646 ( -3.181 0.000 0.000) 3.181 1.682 ( -1.562 0.000 0.000) 1.562 1.698 ( 1.296 0.000 0.000) 1.296 1.714 ( 1.496 0.000 0.000) 1.496 1.737 ( -3.333 0.000 0.000) 3.333 1.746 ( 6.434 0.000 0.000) 6.434 1.812 ( 1.323 0.000 0.000) 1.323 1.931 ( -2.914 0.000 0.000) 2.914 1.949 ( -2.869 0.000 0.000) 2.869 2.032 ( 0.674 0.000 0.000) 0.674 2.038 ( -2.133 0.000 0.000) 2.133 2.095 ( 3.817 0.000 0.000) 3.817 2.101 ( 3.353 0.000 0.000) 3.353 2.104 ( 2.305 0.000 0.000) 2.305 2.145 ( 3.457 0.000 0.000) 3.457 2.167 ( 2.776 0.000 0.000) 2.776 2.189 ( 1.816 0.000 0.000) 1.816 2.191 ( 3.181 0.000 0.000) 3.181 2.227 ( 1.854 0.000 0.000) 1.854 2.229 ( -1.374 0.000 0.000) 1.374 2.302 ( 3.949 0.000 0.000) 3.949 2.317 ( 3.095 0.000 0.000) 3.095 2.359 ( -2.076 0.000 0.000) 2.076 2.361 ( 2.327 0.000 0.000) 2.327 2.373 ( -3.013 0.000 0.000) 3.013 2.427 ( 0.330 0.000 0.000) 0.330 2.432 ( 3.627 0.000 0.000) 3.627 2.470 ( -0.390 0.000 0.000) 0.390 2.531 ( 0.383 0.000 0.000) 0.383 2.545 ( -0.535 0.000 0.000) 0.535 2.581 ( -2.942 0.000 0.000) 2.942 2.637 ( 1.713 0.000 0.000) 1.713 2.646 ( 0.554 0.000 0.000) 0.554 2.668 ( 5.881 0.000 0.000) 5.881 2.673 ( 1.087 0.000 0.000) 1.087 2.705 ( 1.379 0.000 0.000) 1.379 2.745 ( -3.434 0.000 0.000) 3.434 2.841 ( -1.254 0.000 0.000) 1.254 2.848 ( 2.738 0.000 0.000) 2.738 2.862 ( -5.479 0.000 0.000) 5.479 2.929 ( 2.104 0.000 0.000) 2.104 2.943 ( 2.994 0.000 0.000) 2.994 2.967 ( -0.675 0.000 0.000) 0.675 3.031 ( -0.782 0.000 0.000) 0.782 3.039 ( -0.181 0.000 0.000) 0.181 3.041 ( 2.860 0.000 0.000) 2.860 3.128 ( -2.526 0.000 0.000) 2.526 4.171 ( 7.086 0.000 0.000) 7.086 4.227 ( 0.327 0.000 0.000) 0.327 4.251 ( -0.115 0.000 0.000) 0.115 4.256 ( 5.115 0.000 0.000) 5.115 4.272 ( 3.186 0.000 0.000) 3.186 4.327 ( -2.663 0.000 0.000) 2.663 4.335 ( 4.214 0.000 0.000) 4.214 4.430 ( 5.071 0.000 0.000) 5.071 4.436 ( 0.994 0.000 0.000) 0.994 4.453 ( 1.191 0.000 0.000) 1.191 4.544 ( 1.366 0.000 0.000) 1.366 4.568 ( -0.726 0.000 0.000) 0.726 4.574 ( -0.534 0.000 0.000) 0.534 4.608 ( 2.899 0.000 0.000) 2.899 4.615 ( 1.793 0.000 0.000) 1.793 4.662 ( -2.276 0.000 0.000) 2.276 4.667 ( -1.242 0.000 0.000) 1.242 4.669 ( -1.544 0.000 0.000) 1.544 4.802 ( 2.059 0.000 0.000) 2.059 4.881 ( 3.444 0.000 0.000) 3.444 4.908 ( 4.735 0.000 0.000) 4.735 4.947 ( 1.014 0.000 0.000) 1.014 4.994 ( 0.394 0.000 0.000) 0.394 5.090 ( 0.806 0.000 0.000) 0.806 5.117 ( -3.078 0.000 0.000) 3.078 5.131 ( 1.849 0.000 0.000) 1.849 5.219 ( 0.743 0.000 0.000) 0.743 5.268 ( 5.492 0.000 0.000) 5.492 5.313 ( -3.351 0.000 0.000) 3.351 5.325 ( 2.024 0.000 0.000) 2.024 5.421 ( -5.261 0.000 0.000) 5.261 5.430 ( 0.170 0.000 0.000) 0.170 5.445 ( -0.552 0.000 0.000) 0.552 5.449 ( 4.092 0.000 0.000) 4.092 5.507 ( -2.289 0.000 0.000) 2.289 5.523 ( 1.714 0.000 0.000) 1.714 5.539 ( -0.261 0.000 0.000) 0.261 5.591 ( 4.188 0.000 0.000) 4.188 5.771 ( -10.674 0.000 0.000) 10.674 5.776 ( -2.144 0.000 0.000) 2.144 5.953 ( 3.126 0.000 0.000) 3.126 6.071 ( 0.817 0.000 0.000) 0.817 6.131 ( -5.010 0.000 0.000) 5.010 6.171 ( -2.938 0.000 0.000) 2.938 6.288 ( -0.579 0.000 0.000) 0.579 6.325 ( -2.508 0.000 0.000) 2.508 6.389 ( 0.005 0.000 0.000) 0.005 6.446 ( -1.462 0.000 0.000) 1.462 6.572 ( 3.077 0.000 0.000) 3.077 6.621 ( 2.382 0.000 0.000) 2.382 6.627 ( 2.108 0.000 0.000) 2.108 6.642 ( 4.749 0.000 0.000) 4.749 6.708 ( 0.520 0.000 0.000) 0.520 6.720 ( -1.035 0.000 0.000) 1.035 6.818 ( 5.736 0.000 0.000) 5.736 6.849 ( 5.140 0.000 0.000) 5.140 6.856 ( 3.384 0.000 0.000) 3.384 6.938 ( 0.868 0.000 0.000) 0.868 6.949 ( 0.956 0.000 0.000) 0.956 6.963 ( 3.664 0.000 0.000) 3.664 6.967 ( -1.037 0.000 0.000) 1.037 7.000 ( 3.851 0.000 0.000) 3.851 7.044 ( -3.174 0.000 0.000) 3.174 7.044 ( 2.143 0.000 0.000) 2.143 7.058 ( -3.538 0.000 0.000) 3.538 7.121 ( -0.853 0.000 0.000) 0.853 7.154 ( -0.259 0.000 0.000) 0.259 7.191 ( -1.994 0.000 0.000) 1.994 7.212 ( -3.723 0.000 0.000) 3.723 7.258 ( 1.329 0.000 0.000) 1.329 7.287 ( -3.508 0.000 0.000) 3.508 7.367 ( 3.511 0.000 0.000) 3.511 7.373 ( 0.094 0.000 0.000) 0.094 7.400 ( -9.700 0.000 0.000) 9.700 7.517 ( -3.374 0.000 0.000) 3.374 7.534 ( -8.978 0.000 0.000) 8.978 7.543 ( -9.342 0.000 0.000) 9.342 7.551 ( -10.615 0.000 0.000) 10.615 7.566 ( 2.236 0.000 0.000) 2.236 7.698 ( -2.264 0.000 0.000) 2.264 7.827 ( 2.300 0.000 0.000) 2.300 7.840 ( 3.169 0.000 0.000) 3.169 7.875 ( 6.211 0.000 0.000) 6.211 7.965 ( 0.007 0.000 0.000) 0.007 7.970 ( 0.154 0.000 0.000) 0.154 8.006 ( 1.142 0.000 0.000) 1.142 8.076 ( 0.176 0.000 0.000) 0.176 8.088 ( 4.960 0.000 0.000) 4.960 8.209 ( -0.108 0.000 0.000) 0.108 8.290 ( -7.136 0.000 0.000) 7.136 8.344 ( 1.561 0.000 0.000) 1.561 8.407 ( -6.153 0.000 0.000) 6.153 8.419 ( -7.166 0.000 0.000) 7.166 8.428 ( -2.351 0.000 0.000) 2.351 8.552 ( 6.921 0.000 0.000) 6.921 8.882 ( -8.512 0.000 0.000) 8.512 13.414 ( 3.267 0.000 0.000) 3.267 13.435 ( 1.657 0.000 0.000) 1.657 13.455 ( 1.215 0.000 0.000) 1.215 13.468 ( 1.850 0.000 0.000) 1.850 13.475 ( -0.513 0.000 0.000) 0.513 13.551 ( 0.282 0.000 0.000) 0.282 13.603 ( -3.894 0.000 0.000) 3.894 13.624 ( -4.137 0.000 0.000) 4.137 13.787 ( -1.480 0.000 0.000) 1.480 13.812 ( -1.987 0.000 0.000) 1.987 13.884 ( -0.422 0.000 0.000) 0.422 13.898 ( 3.269 0.000 0.000) 3.269 13.917 ( -4.525 0.000 0.000) 4.525 13.920 ( 5.421 0.000 0.000) 5.421 14.192 ( -7.955 0.000 0.000) 7.955 14.215 ( -8.007 0.000 0.000) 8.007 15.396 ( 0.462 0.000 0.000) 0.462 15.427 ( -0.759 0.000 0.000) 0.759 15.533 ( 1.633 0.000 0.000) 1.633 15.578 ( -1.042 0.000 0.000) 1.042 15.600 ( -2.237 0.000 0.000) 2.237 15.601 ( -2.733 0.000 0.000) 2.733 15.694 ( -2.091 0.000 0.000) 2.091 15.701 ( -0.301 0.000 0.000) 0.301 15.814 ( -0.232 0.000 0.000) 0.232 15.866 ( -0.238 0.000 0.000) 0.238 15.870 ( -0.833 0.000 0.000) 0.833 15.916 ( -5.952 0.000 0.000) 5.952 16.017 ( -0.936 0.000 0.000) 0.936 16.023 ( -3.564 0.000 0.000) 3.564 16.053 ( -3.326 0.000 0.000) 3.326 16.117 ( -4.052 0.000 0.000) 4.052 16.426 ( 1.688 0.000 0.000) 1.688 16.431 ( 1.563 0.000 0.000) 1.563 16.456 ( 1.773 0.000 0.000) 1.773 16.461 ( 1.636 0.000 0.000) 1.636 16.567 ( 4.184 0.000 0.000) 4.184 16.596 ( 1.296 0.000 0.000) 1.296 16.603 ( 0.951 0.000 0.000) 0.951 16.631 ( -0.340 0.000 0.000) 0.340 16.676 ( 3.546 0.000 0.000) 3.546 16.720 ( 2.395 0.000 0.000) 2.395 16.809 ( 8.996 0.000 0.000) 8.996 16.915 ( 5.291 0.000 0.000) 5.291 16.972 ( 5.015 0.000 0.000) 5.015 17.033 ( 2.247 0.000 0.000) 2.247 17.063 ( 0.582 0.000 0.000) 0.582 17.159 ( -5.073 0.000 0.000) 5.073 ======================= Grid point 3 (4/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -10.314 0.000 0.000) 10.314 0.842 ( 10.314 0.000 0.000) 10.314 0.906 ( -10.648 0.000 0.000) 10.648 0.906 ( 10.648 0.000 0.000) 10.648 1.025 ( -1.401 0.000 0.000) 1.401 1.025 ( 1.401 0.000 0.000) 1.401 1.055 ( -2.988 0.000 0.000) 2.988 1.055 ( 2.988 0.000 0.000) 2.988 1.099 ( -4.600 0.000 0.000) 4.600 1.099 ( 4.600 0.000 0.000) 4.600 1.189 ( -5.806 0.000 0.000) 5.806 1.189 ( 5.806 0.000 0.000) 5.806 1.273 ( -0.845 0.000 0.000) 0.845 1.273 ( 0.845 0.000 0.000) 0.845 1.313 ( -5.162 0.000 0.000) 5.162 1.313 ( 5.162 0.000 0.000) 5.162 1.472 ( -0.491 0.000 0.000) 0.491 1.472 ( 0.491 0.000 0.000) 0.491 1.486 ( -1.785 0.000 0.000) 1.785 1.486 ( 1.785 0.000 0.000) 1.785 1.553 ( -0.751 0.000 0.000) 0.751 1.553 ( 0.751 0.000 0.000) 0.751 1.577 ( -3.453 0.000 0.000) 3.453 1.577 ( 3.453 0.000 0.000) 3.453 1.588 ( -0.575 0.000 0.000) 0.575 1.588 ( 0.575 0.000 0.000) 0.575 1.625 ( -8.055 0.000 0.000) 8.055 1.625 ( 8.055 0.000 0.000) 8.055 1.719 ( -0.761 0.000 0.000) 0.761 1.719 ( 0.761 0.000 0.000) 0.761 1.822 ( -1.332 0.000 0.000) 1.332 1.822 ( 1.332 0.000 0.000) 1.332 1.901 ( -0.337 0.000 0.000) 0.337 1.901 ( 0.337 0.000 0.000) 0.337 2.025 ( -0.653 0.000 0.000) 0.653 2.025 ( 0.653 0.000 0.000) 0.653 2.136 ( -1.049 0.000 0.000) 1.049 2.136 ( 1.049 0.000 0.000) 1.049 2.181 ( -3.044 0.000 0.000) 3.044 2.181 ( 3.044 0.000 0.000) 3.044 2.185 ( -0.517 0.000 0.000) 0.517 2.185 ( 0.517 0.000 0.000) 0.517 2.195 ( -0.674 0.000 0.000) 0.674 2.195 ( 0.674 0.000 0.000) 0.674 2.305 ( -3.673 0.000 0.000) 3.673 2.305 ( 3.673 0.000 0.000) 3.673 2.321 ( -0.066 0.000 0.000) 0.066 2.321 ( 0.066 0.000 0.000) 0.066 2.385 ( -1.131 0.000 0.000) 1.131 2.385 ( 1.131 0.000 0.000) 1.131 2.484 ( -0.279 0.000 0.000) 0.279 2.484 ( 0.279 0.000 0.000) 0.279 2.500 ( -3.777 0.000 0.000) 3.777 2.500 ( 3.777 0.000 0.000) 3.777 2.535 ( -0.992 0.000 0.000) 0.992 2.535 ( 0.992 0.000 0.000) 0.992 2.680 ( -2.916 0.000 0.000) 2.916 2.680 ( 2.916 0.000 0.000) 2.916 2.699 ( -1.195 0.000 0.000) 1.195 2.699 ( 1.195 0.000 0.000) 1.195 2.700 ( -3.919 0.000 0.000) 3.919 2.700 ( 3.919 0.000 0.000) 3.919 2.808 ( -1.514 0.000 0.000) 1.514 2.808 ( 1.514 0.000 0.000) 1.514 2.922 ( -3.442 0.000 0.000) 3.442 2.922 ( 3.442 0.000 0.000) 3.442 2.954 ( -0.940 0.000 0.000) 0.940 2.954 ( 0.940 0.000 0.000) 0.940 3.037 ( -0.608 0.000 0.000) 0.608 3.037 ( 0.608 0.000 0.000) 0.608 3.085 ( -1.789 0.000 0.000) 1.789 3.085 ( 1.789 0.000 0.000) 1.789 4.239 ( -0.735 0.000 0.000) 0.735 4.239 ( 0.735 0.000 0.000) 0.735 4.276 ( -3.045 0.000 0.000) 3.045 4.276 ( 3.045 0.000 0.000) 3.045 4.314 ( -0.131 0.000 0.000) 0.131 4.314 ( 0.131 0.000 0.000) 0.131 4.410 ( -3.091 0.000 0.000) 3.091 4.410 ( 3.091 0.000 0.000) 3.091 4.513 ( -4.421 0.000 0.000) 4.421 4.513 ( 4.421 0.000 0.000) 4.421 4.526 ( -3.765 0.000 0.000) 3.765 4.526 ( 3.765 0.000 0.000) 3.765 4.599 ( -3.162 0.000 0.000) 3.162 4.599 ( 3.162 0.000 0.000) 3.162 4.624 ( -0.596 0.000 0.000) 0.596 4.624 ( 0.596 0.000 0.000) 0.596 4.665 ( -0.329 0.000 0.000) 0.329 4.665 ( 0.329 0.000 0.000) 0.329 4.882 ( -5.551 0.000 0.000) 5.551 4.882 ( 5.551 0.000 0.000) 5.551 4.957 ( -3.521 0.000 0.000) 3.521 4.957 ( 3.521 0.000 0.000) 3.521 5.020 ( -5.649 0.000 0.000) 5.649 5.020 ( 5.649 0.000 0.000) 5.649 5.173 ( -1.241 0.000 0.000) 1.241 5.173 ( 1.241 0.000 0.000) 1.241 5.281 ( -4.855 0.000 0.000) 4.855 5.281 ( 4.855 0.000 0.000) 4.855 5.296 ( -4.748 0.000 0.000) 4.748 5.296 ( 4.748 0.000 0.000) 4.748 5.398 ( -5.658 0.000 0.000) 5.658 5.398 ( 5.658 0.000 0.000) 5.658 5.443 ( -1.528 0.000 0.000) 1.528 5.443 ( 1.528 0.000 0.000) 1.528 5.519 ( -2.029 0.000 0.000) 2.029 5.519 ( 2.029 0.000 0.000) 2.029 5.588 ( -6.155 0.000 0.000) 6.155 5.588 ( 6.155 0.000 0.000) 6.155 5.694 ( -5.564 0.000 0.000) 5.564 5.694 ( 5.564 0.000 0.000) 5.564 6.031 ( -4.653 0.000 0.000) 4.653 6.031 ( 4.653 0.000 0.000) 4.653 6.110 ( -2.833 0.000 0.000) 2.833 6.110 ( 2.833 0.000 0.000) 2.833 6.291 ( -0.866 0.000 0.000) 0.866 6.291 ( 0.866 0.000 0.000) 0.866 6.408 ( -1.843 0.000 0.000) 1.843 6.408 ( 1.843 0.000 0.000) 1.843 6.629 ( -2.073 0.000 0.000) 2.073 6.629 ( 2.073 0.000 0.000) 2.073 6.681 ( -2.640 0.000 0.000) 2.640 6.681 ( 2.640 0.000 0.000) 2.640 6.706 ( -1.043 0.000 0.000) 1.043 6.706 ( 1.043 0.000 0.000) 1.043 6.892 ( -2.448 0.000 0.000) 2.448 6.892 ( 2.448 0.000 0.000) 2.448 6.929 ( -1.949 0.000 0.000) 1.949 6.929 ( 1.949 0.000 0.000) 1.949 6.941 ( -1.016 0.000 0.000) 1.016 6.941 ( 1.016 0.000 0.000) 1.016 7.007 ( -1.379 0.000 0.000) 1.379 7.007 ( 1.379 0.000 0.000) 1.379 7.033 ( -2.650 0.000 0.000) 2.650 7.033 ( 2.650 0.000 0.000) 2.650 7.153 ( -3.281 0.000 0.000) 3.281 7.153 ( 3.281 0.000 0.000) 3.281 7.168 ( -0.031 0.000 0.000) 0.031 7.168 ( 0.031 0.000 0.000) 0.031 7.229 ( -1.511 0.000 0.000) 1.511 7.229 ( 1.511 0.000 0.000) 1.511 7.260 ( -13.986 0.000 0.000) 13.986 7.260 ( 13.986 0.000 0.000) 13.986 7.352 ( -6.439 0.000 0.000) 6.439 7.352 ( 6.439 0.000 0.000) 6.439 7.416 ( -4.578 0.000 0.000) 4.578 7.416 ( 4.578 0.000 0.000) 4.578 7.444 ( -3.717 0.000 0.000) 3.717 7.444 ( 3.717 0.000 0.000) 3.717 7.640 ( -3.463 0.000 0.000) 3.463 7.640 ( 3.463 0.000 0.000) 3.463 7.864 ( -0.937 0.000 0.000) 0.937 7.864 ( 0.937 0.000 0.000) 0.937 7.963 ( -0.575 0.000 0.000) 0.575 7.963 ( 0.575 0.000 0.000) 0.575 8.008 ( -5.183 0.000 0.000) 5.183 8.008 ( 5.183 0.000 0.000) 5.183 8.087 ( -5.980 0.000 0.000) 5.980 8.087 ( 5.980 0.000 0.000) 5.980 8.268 ( -6.374 0.000 0.000) 6.374 8.268 ( 6.374 0.000 0.000) 6.374 8.281 ( -5.922 0.000 0.000) 5.922 8.281 ( 5.922 0.000 0.000) 5.922 8.385 ( -1.963 0.000 0.000) 1.963 8.385 ( 1.963 0.000 0.000) 1.963 8.708 ( -8.473 0.000 0.000) 8.473 8.708 ( 8.473 0.000 0.000) 8.473 13.461 ( -0.924 0.000 0.000) 0.924 13.461 ( 0.924 0.000 0.000) 0.924 13.466 ( -1.035 0.000 0.000) 1.035 13.466 ( 1.035 0.000 0.000) 1.035 13.524 ( -3.674 0.000 0.000) 3.674 13.524 ( 3.674 0.000 0.000) 3.674 13.561 ( -1.594 0.000 0.000) 1.594 13.561 ( 1.594 0.000 0.000) 1.594 13.780 ( -0.805 0.000 0.000) 0.805 13.780 ( 0.805 0.000 0.000) 0.805 13.861 ( -0.629 0.000 0.000) 0.629 13.861 ( 0.629 0.000 0.000) 0.629 14.031 ( -7.742 0.000 0.000) 7.742 14.031 ( 7.742 0.000 0.000) 7.742 14.054 ( -7.662 0.000 0.000) 7.662 14.054 ( 7.662 0.000 0.000) 7.662 15.410 ( -0.864 0.000 0.000) 0.864 15.410 ( 0.864 0.000 0.000) 0.864 15.567 ( -1.593 0.000 0.000) 1.593 15.567 ( 1.593 0.000 0.000) 1.593 15.570 ( -0.447 0.000 0.000) 0.447 15.570 ( 0.447 0.000 0.000) 0.447 15.684 ( -0.941 0.000 0.000) 0.941 15.684 ( 0.941 0.000 0.000) 0.941 15.829 ( -2.210 0.000 0.000) 2.210 15.829 ( 2.210 0.000 0.000) 2.210 15.862 ( -0.001 0.000 0.000) 0.001 15.862 ( 0.001 0.000 0.000) 0.001 16.004 ( -1.192 0.000 0.000) 1.192 16.004 ( 1.192 0.000 0.000) 1.192 16.042 ( -3.005 0.000 0.000) 3.005 16.042 ( 3.005 0.000 0.000) 3.005 16.444 ( -0.152 0.000 0.000) 0.152 16.444 ( 0.152 0.000 0.000) 0.152 16.475 ( -0.127 0.000 0.000) 0.127 16.475 ( 0.127 0.000 0.000) 0.127 16.603 ( -0.408 0.000 0.000) 0.408 16.603 ( 0.408 0.000 0.000) 0.408 16.621 ( -0.761 0.000 0.000) 0.761 16.621 ( 0.761 0.000 0.000) 0.761 16.736 ( -1.319 0.000 0.000) 1.319 16.736 ( 1.319 0.000 0.000) 1.319 16.954 ( -3.551 0.000 0.000) 3.551 16.954 ( 3.551 0.000 0.000) 3.551 17.041 ( -1.610 0.000 0.000) 1.610 17.041 ( 1.610 0.000 0.000) 1.610 17.071 ( -1.696 0.000 0.000) 1.696 17.071 ( 1.696 0.000 0.000) 1.696 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 13.829 0.000) 13.829 0.291 ( 0.000 15.507 0.000) 15.507 0.594 ( 0.000 29.637 0.000) 29.637 0.702 ( 0.000 -7.246 0.000) 7.246 0.821 ( 0.000 -7.768 0.000) 7.768 0.913 ( 0.000 1.892 0.000) 1.892 0.965 ( 0.000 -1.995 0.000) 1.995 1.014 ( 0.000 1.793 0.000) 1.793 1.039 ( 0.000 -0.629 0.000) 0.629 1.120 ( 0.000 -2.498 0.000) 2.498 1.145 ( 0.000 0.030 0.000) 0.030 1.161 ( 0.000 0.817 0.000) 0.817 1.218 ( 0.000 5.187 0.000) 5.187 1.260 ( 0.000 5.528 0.000) 5.528 1.268 ( 0.000 0.578 0.000) 0.578 1.358 ( 0.000 5.165 0.000) 5.165 1.365 ( 0.000 5.221 0.000) 5.221 1.366 ( 0.000 -0.770 0.000) 0.770 1.410 ( 0.000 3.792 0.000) 3.792 1.438 ( 0.000 -1.913 0.000) 1.913 1.464 ( 0.000 -0.244 0.000) 0.244 1.488 ( 0.000 -3.393 0.000) 3.393 1.532 ( 0.000 -0.008 0.000) 0.008 1.580 ( 0.000 0.437 0.000) 0.437 1.587 ( 0.000 -3.917 0.000) 3.917 1.612 ( 0.000 -1.222 0.000) 1.222 1.637 ( 0.000 0.601 0.000) 0.601 1.675 ( 0.000 -9.181 0.000) 9.181 1.675 ( 0.000 0.037 0.000) 0.037 1.756 ( 0.000 2.071 0.000) 2.071 1.778 ( 0.000 -10.443 0.000) 10.443 1.834 ( 0.000 -0.363 0.000) 0.363 1.847 ( 0.000 4.139 0.000) 4.139 1.855 ( 0.000 1.126 0.000) 1.126 1.925 ( 0.000 4.134 0.000) 4.134 1.948 ( 0.000 -0.860 0.000) 0.860 2.002 ( 0.000 -1.168 0.000) 1.168 2.060 ( 0.000 2.087 0.000) 2.087 2.063 ( 0.000 -0.210 0.000) 0.210 2.079 ( 0.000 3.473 0.000) 3.473 2.139 ( 0.000 -0.565 0.000) 0.565 2.177 ( 0.000 6.559 0.000) 6.559 2.236 ( 0.000 -3.962 0.000) 3.962 2.252 ( 0.000 -3.648 0.000) 3.648 2.271 ( 0.000 -1.741 0.000) 1.741 2.320 ( 0.000 1.887 0.000) 1.887 2.327 ( 0.000 0.780 0.000) 0.780 2.336 ( 0.000 2.258 0.000) 2.258 2.383 ( 0.000 1.623 0.000) 1.623 2.431 ( 0.000 -0.408 0.000) 0.408 2.438 ( 0.000 -2.373 0.000) 2.373 2.443 ( 0.000 3.919 0.000) 3.919 2.449 ( 0.000 -1.561 0.000) 1.561 2.489 ( 0.000 0.046 0.000) 0.046 2.568 ( 0.000 -3.699 0.000) 3.699 2.583 ( 0.000 -4.465 0.000) 4.465 2.602 ( 0.000 0.324 0.000) 0.324 2.623 ( 0.000 -0.530 0.000) 0.530 2.632 ( 0.000 -0.488 0.000) 0.488 2.700 ( 0.000 0.873 0.000) 0.873 2.703 ( 0.000 1.557 0.000) 1.557 2.732 ( 0.000 -3.705 0.000) 3.705 2.757 ( 0.000 -1.195 0.000) 1.195 2.763 ( 0.000 -1.654 0.000) 1.654 2.871 ( 0.000 1.276 0.000) 1.276 2.880 ( 0.000 -0.449 0.000) 0.449 2.933 ( 0.000 -0.042 0.000) 0.042 2.954 ( 0.000 -0.308 0.000) 0.308 2.988 ( 0.000 -1.643 0.000) 1.643 3.006 ( 0.000 -3.449 0.000) 3.449 3.072 ( 0.000 1.616 0.000) 1.616 3.170 ( 0.000 -2.544 0.000) 2.544 4.015 ( 0.000 2.864 0.000) 2.864 4.144 ( 0.000 -2.781 0.000) 2.781 4.156 ( 0.000 0.982 0.000) 0.982 4.194 ( 0.000 -0.752 0.000) 0.752 4.198 ( 0.000 1.053 0.000) 1.053 4.234 ( 0.000 -0.166 0.000) 0.166 4.297 ( 0.000 1.316 0.000) 1.316 4.363 ( 0.000 0.658 0.000) 0.658 4.386 ( 0.000 -2.550 0.000) 2.550 4.422 ( 0.000 -1.987 0.000) 1.987 4.525 ( 0.000 2.090 0.000) 2.090 4.597 ( 0.000 1.861 0.000) 1.861 4.605 ( 0.000 0.984 0.000) 0.984 4.625 ( 0.000 -0.697 0.000) 0.697 4.648 ( 0.000 2.791 0.000) 2.791 4.663 ( 0.000 0.396 0.000) 0.396 4.666 ( 0.000 -3.343 0.000) 3.343 4.679 ( 0.000 -2.972 0.000) 2.972 4.723 ( 0.000 -0.623 0.000) 0.623 4.755 ( 0.000 -2.979 0.000) 2.979 4.817 ( 0.000 1.224 0.000) 1.224 4.840 ( 0.000 0.892 0.000) 0.892 5.045 ( 0.000 3.831 0.000) 3.831 5.057 ( 0.000 1.487 0.000) 1.487 5.152 ( 0.000 -2.260 0.000) 2.260 5.184 ( 0.000 -2.166 0.000) 2.166 5.210 ( 0.000 -0.135 0.000) 0.135 5.221 ( 0.000 -0.034 0.000) 0.034 5.263 ( 0.000 1.099 0.000) 1.099 5.288 ( 0.000 0.354 0.000) 0.354 5.327 ( 0.000 -0.649 0.000) 0.649 5.374 ( 0.000 -3.278 0.000) 3.278 5.407 ( 0.000 0.679 0.000) 0.679 5.447 ( 0.000 -1.277 0.000) 1.277 5.468 ( 0.000 -0.279 0.000) 0.279 5.498 ( 0.000 -2.067 0.000) 2.067 5.620 ( 0.000 5.732 0.000) 5.732 5.624 ( 0.000 4.866 0.000) 4.866 5.633 ( 0.000 3.740 0.000) 3.740 5.771 ( 0.000 -1.568 0.000) 1.568 5.928 ( 0.000 3.226 0.000) 3.226 6.056 ( 0.000 -2.588 0.000) 2.588 6.228 ( 0.000 -0.770 0.000) 0.770 6.235 ( 0.000 -2.100 0.000) 2.100 6.297 ( 0.000 2.084 0.000) 2.084 6.365 ( 0.000 -0.507 0.000) 0.507 6.404 ( 0.000 4.066 0.000) 4.066 6.460 ( 0.000 -0.309 0.000) 0.309 6.469 ( 0.000 -0.107 0.000) 0.107 6.487 ( 0.000 -0.287 0.000) 0.287 6.566 ( 0.000 0.097 0.000) 0.097 6.568 ( 0.000 0.852 0.000) 0.852 6.614 ( 0.000 0.213 0.000) 0.213 6.625 ( 0.000 -0.008 0.000) 0.008 6.723 ( 0.000 -0.534 0.000) 0.534 6.731 ( 0.000 -0.490 0.000) 0.490 6.844 ( 0.000 -1.127 0.000) 1.127 6.857 ( 0.000 -0.070 0.000) 0.070 6.884 ( 0.000 -0.505 0.000) 0.505 6.963 ( 0.000 -6.367 0.000) 6.367 7.011 ( 0.000 -1.278 0.000) 1.278 7.017 ( 0.000 0.210 0.000) 0.210 7.088 ( 0.000 2.267 0.000) 2.267 7.174 ( 0.000 1.112 0.000) 1.112 7.174 ( 0.000 5.134 0.000) 5.134 7.180 ( 0.000 1.986 0.000) 1.986 7.182 ( 0.000 -0.916 0.000) 0.916 7.196 ( 0.000 2.373 0.000) 2.373 7.259 ( 0.000 2.503 0.000) 2.503 7.290 ( 0.000 -3.039 0.000) 3.039 7.310 ( 0.000 6.188 0.000) 6.188 7.353 ( 0.000 -5.464 0.000) 5.464 7.366 ( 0.000 -0.901 0.000) 0.901 7.440 ( 0.000 0.440 0.000) 0.440 7.472 ( 0.000 3.635 0.000) 3.635 7.575 ( 0.000 -6.475 0.000) 6.475 7.576 ( 0.000 -1.209 0.000) 1.209 7.627 ( 0.000 2.061 0.000) 2.061 7.719 ( 0.000 -11.152 0.000) 11.152 7.728 ( 0.000 2.862 0.000) 2.862 7.733 ( 0.000 -0.234 0.000) 0.234 7.773 ( 0.000 -3.913 0.000) 3.913 7.835 ( 0.000 -1.731 0.000) 1.731 7.892 ( 0.000 -6.573 0.000) 6.573 8.025 ( 0.000 7.250 0.000) 7.250 8.100 ( 0.000 5.282 0.000) 5.282 8.113 ( 0.000 7.312 0.000) 7.312 8.220 ( 0.000 -2.366 0.000) 2.366 8.260 ( 0.000 3.816 0.000) 3.816 8.276 ( 0.000 -3.005 0.000) 3.005 8.382 ( 0.000 -4.736 0.000) 4.736 8.507 ( 0.000 -4.516 0.000) 4.516 8.559 ( 0.000 3.854 0.000) 3.854 8.595 ( 0.000 0.306 0.000) 0.306 8.904 ( 0.000 4.336 0.000) 4.336 9.063 ( 0.000 -2.513 0.000) 2.513 13.343 ( 0.000 0.685 0.000) 0.685 13.398 ( 0.000 -2.085 0.000) 2.085 13.402 ( 0.000 0.670 0.000) 0.670 13.466 ( 0.000 -1.827 0.000) 1.827 13.483 ( 0.000 4.996 0.000) 4.996 13.576 ( 0.000 3.147 0.000) 3.147 13.679 ( 0.000 -1.676 0.000) 1.676 13.724 ( 0.000 -2.426 0.000) 2.426 13.759 ( 0.000 -1.723 0.000) 1.723 13.809 ( 0.000 0.708 0.000) 0.708 13.843 ( 0.000 -0.857 0.000) 0.857 13.844 ( 0.000 -2.550 0.000) 2.550 14.036 ( 0.000 5.511 0.000) 5.511 14.108 ( 0.000 5.291 0.000) 5.291 14.334 ( 0.000 -7.607 0.000) 7.607 14.355 ( 0.000 -5.598 0.000) 5.598 15.405 ( 0.000 1.517 0.000) 1.517 15.461 ( 0.000 1.914 0.000) 1.914 15.477 ( 0.000 -1.828 0.000) 1.828 15.600 ( 0.000 2.313 0.000) 2.313 15.603 ( 0.000 -5.932 0.000) 5.932 15.704 ( 0.000 -2.683 0.000) 2.683 15.897 ( 0.000 8.533 0.000) 8.533 15.910 ( 0.000 4.010 0.000) 4.010 15.952 ( 0.000 7.628 0.000) 7.628 15.981 ( 0.000 5.248 0.000) 5.248 16.075 ( 0.000 -1.710 0.000) 1.710 16.093 ( 0.000 -1.791 0.000) 1.791 16.127 ( 0.000 -2.931 0.000) 2.931 16.179 ( 0.000 -1.465 0.000) 1.465 16.220 ( 0.000 -0.548 0.000) 0.548 16.247 ( 0.000 -1.035 0.000) 1.035 16.270 ( 0.000 1.656 0.000) 1.656 16.320 ( 0.000 -0.773 0.000) 0.773 16.326 ( 0.000 -0.731 0.000) 0.731 16.329 ( 0.000 -2.298 0.000) 2.298 16.386 ( 0.000 0.623 0.000) 0.623 16.397 ( 0.000 -0.129 0.000) 0.129 16.491 ( 0.000 0.097 0.000) 0.097 16.531 ( 0.000 -1.154 0.000) 1.154 16.600 ( 0.000 1.903 0.000) 1.903 16.646 ( 0.000 2.145 0.000) 2.145 16.664 ( 0.000 2.586 0.000) 2.586 16.712 ( 0.000 -2.747 0.000) 2.747 16.755 ( 0.000 -2.421 0.000) 2.421 16.847 ( 0.000 -6.373 0.000) 6.373 17.100 ( 0.000 4.694 0.000) 4.694 17.252 ( 0.000 -2.821 0.000) 2.821 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 12.558 8.343 0.000) 15.077 0.557 ( 11.188 14.289 0.000) 18.147 0.759 ( 11.344 3.165 0.000) 11.777 0.767 ( 14.216 5.881 0.000) 15.384 0.924 ( 6.780 -1.691 0.000) 6.988 0.947 ( 3.236 -0.832 0.000) 3.341 0.981 ( 1.857 -1.443 0.000) 2.352 1.021 ( 0.512 1.129 0.000) 1.239 1.042 ( 0.980 0.042 0.000) 0.981 1.107 ( -0.366 -2.001 0.000) 2.034 1.157 ( 1.403 0.053 0.000) 1.404 1.179 ( 1.425 2.692 0.000) 3.046 1.218 ( 0.309 4.160 0.000) 4.171 1.294 ( 0.859 2.413 0.000) 2.561 1.307 ( -3.889 4.085 0.000) 5.641 1.323 ( 2.996 3.238 0.000) 4.412 1.396 ( 4.782 2.742 0.000) 5.513 1.398 ( 1.690 1.783 0.000) 2.457 1.438 ( 2.573 2.163 0.000) 3.361 1.467 ( 1.484 -1.231 0.000) 1.928 1.489 ( 0.668 -1.950 0.000) 2.061 1.534 ( -1.274 -1.666 0.000) 2.097 1.544 ( 5.386 1.926 0.000) 5.720 1.588 ( 1.321 -1.845 0.000) 2.269 1.600 ( -1.346 -1.791 0.000) 2.240 1.603 ( 1.656 -1.089 0.000) 1.982 1.655 ( -0.117 0.122 0.000) 0.169 1.660 ( 1.486 -0.230 0.000) 1.503 1.694 ( 1.830 -4.521 0.000) 4.877 1.727 ( -2.075 0.676 0.000) 2.182 1.749 ( -4.228 2.658 0.000) 4.994 1.815 ( 2.049 -7.377 0.000) 7.657 1.912 ( 4.175 -2.758 0.000) 5.004 1.951 ( 1.215 -2.066 0.000) 2.397 1.971 ( 3.271 0.282 0.000) 3.284 1.992 ( 4.702 3.661 0.000) 5.959 2.037 ( 0.138 3.934 0.000) 3.936 2.045 ( 1.550 -3.129 0.000) 3.491 2.071 ( 4.086 3.584 0.000) 5.435 2.112 ( 3.445 1.405 0.000) 3.721 2.131 ( 0.164 1.222 0.000) 1.233 2.136 ( -3.930 3.501 0.000) 5.263 2.194 ( 0.917 4.323 0.000) 4.419 2.237 ( -2.731 -1.017 0.000) 2.914 2.242 ( -0.939 -2.789 0.000) 2.943 2.288 ( -1.406 1.711 0.000) 2.215 2.307 ( -0.331 2.380 0.000) 2.403 2.346 ( -1.050 0.889 0.000) 1.376 2.386 ( 2.250 -1.135 0.000) 2.520 2.392 ( -1.014 -0.429 0.000) 1.101 2.416 ( -1.522 0.385 0.000) 1.570 2.440 ( -1.773 -1.832 0.000) 2.549 2.451 ( 2.627 0.183 0.000) 2.633 2.518 ( 2.558 0.979 0.000) 2.739 2.521 ( -3.258 -2.753 0.000) 4.265 2.595 ( -1.287 -3.374 0.000) 3.611 2.617 ( -0.240 -0.438 0.000) 0.500 2.621 ( -0.618 -0.825 0.000) 1.031 2.635 ( 0.925 -0.259 0.000) 0.960 2.642 ( -0.090 -0.244 0.000) 0.260 2.652 ( 0.321 0.703 0.000) 0.772 2.762 ( 0.934 -4.749 0.000) 4.840 2.815 ( 1.680 -0.875 0.000) 1.894 2.833 ( 1.807 0.104 0.000) 1.810 2.877 ( -1.725 -0.783 0.000) 1.894 2.884 ( 2.464 1.621 0.000) 2.949 2.914 ( 4.177 -0.392 0.000) 4.195 2.938 ( -3.615 -2.218 0.000) 4.241 2.987 ( 0.821 -0.867 0.000) 1.194 3.018 ( -0.063 -2.403 0.000) 2.403 3.068 ( -0.883 1.473 0.000) 1.717 3.153 ( -1.603 -2.190 0.000) 2.714 4.064 ( 4.724 2.447 0.000) 5.320 4.162 ( 2.543 -1.057 0.000) 2.754 4.218 ( 1.787 0.466 0.000) 1.847 4.229 ( 4.170 -0.288 0.000) 4.180 4.231 ( 2.878 0.042 0.000) 2.878 4.234 ( 1.081 -0.313 0.000) 1.125 4.333 ( 3.099 -0.199 0.000) 3.105 4.377 ( 1.765 -1.078 0.000) 2.068 4.412 ( -2.593 1.381 0.000) 2.938 4.417 ( 2.648 -0.637 0.000) 2.723 4.485 ( 0.906 -0.311 0.000) 0.958 4.580 ( -2.941 -1.699 0.000) 3.397 4.587 ( -1.320 0.239 0.000) 1.341 4.601 ( 0.255 1.214 0.000) 1.241 4.616 ( -0.964 0.554 0.000) 1.111 4.662 ( -0.756 -1.899 0.000) 2.044 4.662 ( 0.939 0.485 0.000) 1.057 4.720 ( 0.345 1.594 0.000) 1.630 4.739 ( 1.822 -2.232 0.000) 2.881 4.814 ( 3.179 -1.932 0.000) 3.720 4.843 ( 2.525 0.965 0.000) 2.703 4.871 ( 3.264 0.117 0.000) 3.266 5.024 ( -1.313 2.809 0.000) 3.101 5.069 ( 1.303 0.017 0.000) 1.303 5.124 ( -2.504 -0.615 0.000) 2.578 5.156 ( -2.134 -2.523 0.000) 3.304 5.218 ( 1.153 0.596 0.000) 1.298 5.242 ( 3.500 -1.138 0.000) 3.681 5.257 ( -1.178 1.743 0.000) 2.104 5.325 ( 2.466 -0.668 0.000) 2.555 5.373 ( 1.277 -1.899 0.000) 2.288 5.387 ( 0.173 -3.041 0.000) 3.046 5.428 ( 3.528 2.243 0.000) 4.180 5.466 ( -0.793 0.089 0.000) 0.798 5.471 ( 0.364 -1.798 0.000) 1.834 5.552 ( -1.297 1.884 0.000) 2.287 5.627 ( 1.258 5.440 0.000) 5.584 5.627 ( 0.490 5.671 0.000) 5.692 5.779 ( 0.572 -1.397 0.000) 1.510 5.789 ( 6.084 -8.910 0.000) 10.789 5.941 ( 1.098 2.728 0.000) 2.941 6.048 ( -0.543 -2.364 0.000) 2.426 6.202 ( -2.079 -1.118 0.000) 2.360 6.207 ( -2.617 -1.303 0.000) 2.924 6.320 ( -2.719 0.615 0.000) 2.788 6.329 ( 0.901 -1.268 0.000) 1.555 6.423 ( 0.540 2.825 0.000) 2.876 6.465 ( 0.121 0.149 0.000) 0.192 6.518 ( 2.489 0.104 0.000) 2.491 6.528 ( 4.661 -0.736 0.000) 4.719 6.580 ( 1.589 -0.083 0.000) 1.591 6.612 ( -0.144 -0.741 0.000) 0.755 6.626 ( 4.189 -0.452 0.000) 4.214 6.664 ( 4.906 -0.580 0.000) 4.940 6.735 ( 0.618 0.235 0.000) 0.661 6.754 ( 2.935 -0.814 0.000) 3.046 6.838 ( -1.409 -0.082 0.000) 1.411 6.858 ( 1.579 -2.494 0.000) 2.952 6.894 ( 3.585 1.258 0.000) 3.799 6.961 ( -0.463 2.117 0.000) 2.167 6.998 ( -1.402 0.194 0.000) 1.416 7.051 ( 1.866 -5.438 0.000) 5.750 7.091 ( -0.288 5.112 0.000) 5.120 7.105 ( -3.673 0.025 0.000) 3.673 7.132 ( -3.007 4.183 0.000) 5.152 7.138 ( -2.535 0.431 0.000) 2.572 7.196 ( -0.257 2.179 0.000) 2.194 7.225 ( 1.086 -2.359 0.000) 2.597 7.259 ( -1.171 -0.079 0.000) 1.174 7.296 ( -1.485 0.658 0.000) 1.624 7.307 ( -0.034 6.451 0.000) 6.451 7.357 ( 0.298 -2.760 0.000) 2.776 7.369 ( -0.509 -0.242 0.000) 0.564 7.447 ( 0.919 -3.836 0.000) 3.945 7.512 ( 4.948 -4.812 0.000) 6.902 7.527 ( -3.783 -3.920 0.000) 5.448 7.584 ( -2.075 -2.676 0.000) 3.387 7.618 ( -3.576 -3.583 0.000) 5.062 7.648 ( -3.436 -1.629 0.000) 3.803 7.696 ( -1.140 -1.699 0.000) 2.046 7.743 ( -0.465 0.204 0.000) 0.508 7.770 ( -5.859 -1.818 0.000) 6.135 7.807 ( 2.490 -3.153 0.000) 4.018 7.885 ( -0.378 -7.938 0.000) 7.947 8.030 ( 0.664 8.202 0.000) 8.228 8.080 ( -1.303 6.072 0.000) 6.210 8.113 ( 0.247 7.118 0.000) 7.122 8.182 ( -2.420 1.084 0.000) 2.652 8.285 ( 0.933 -3.148 0.000) 3.283 8.294 ( 1.252 2.509 0.000) 2.804 8.372 ( -1.046 -3.767 0.000) 3.909 8.468 ( -6.084 4.585 0.000) 7.619 8.470 ( -3.504 -4.159 0.000) 5.438 8.541 ( -5.034 -0.213 0.000) 5.038 8.713 ( -9.469 13.904 0.000) 16.822 8.999 ( -6.024 -3.208 0.000) 6.825 13.363 ( 1.942 0.554 0.000) 2.020 13.399 ( 0.661 -0.668 0.000) 0.940 13.422 ( 1.376 -0.523 0.000) 1.472 13.466 ( 0.056 -1.547 0.000) 1.548 13.495 ( 0.868 4.988 0.000) 5.063 13.573 ( -0.284 2.652 0.000) 2.668 13.654 ( -2.297 -1.530 0.000) 2.760 13.715 ( -3.623 0.644 0.000) 3.680 13.760 ( 3.061 -4.703 0.000) 5.612 13.797 ( 0.982 -1.667 0.000) 1.935 13.821 ( -1.822 -0.681 0.000) 1.945 13.831 ( -1.367 -2.118 0.000) 2.521 14.000 ( -3.334 5.083 0.000) 6.080 14.063 ( -4.196 4.893 0.000) 6.446 14.275 ( -5.233 -6.130 0.000) 8.060 14.301 ( -5.183 -5.288 0.000) 7.405 15.406 ( 0.136 1.504 0.000) 1.510 15.455 ( -0.458 1.617 0.000) 1.681 15.483 ( 0.543 -1.959 0.000) 2.033 15.581 ( -1.866 -4.883 0.000) 5.228 15.603 ( 0.072 1.666 0.000) 1.667 15.674 ( -2.680 -1.387 0.000) 3.017 15.820 ( -5.200 4.947 0.000) 7.177 15.839 ( -8.069 6.993 0.000) 10.678 15.884 ( -3.036 4.477 0.000) 5.409 15.936 ( -2.476 4.004 0.000) 4.707 15.943 ( -1.830 6.481 0.000) 6.734 16.021 ( -4.819 -1.228 0.000) 4.973 16.069 ( -5.347 -1.822 0.000) 5.649 16.106 ( -4.200 -1.587 0.000) 4.489 16.133 ( -6.421 -0.804 0.000) 6.472 16.186 ( -2.584 -1.140 0.000) 2.824 16.372 ( 5.241 0.448 0.000) 5.260 16.373 ( 4.058 0.078 0.000) 4.059 16.412 ( 6.249 -0.505 0.000) 6.270 16.420 ( 4.587 0.939 0.000) 4.682 16.429 ( 3.119 0.866 0.000) 3.237 16.506 ( 3.863 -2.504 0.000) 4.603 16.581 ( 2.710 -2.619 0.000) 3.769 16.588 ( 3.794 -5.671 0.000) 6.823 16.618 ( 2.580 3.276 0.000) 4.170 16.671 ( 1.426 2.979 0.000) 3.303 16.693 ( 5.379 3.441 0.000) 6.385 16.774 ( 5.077 -2.721 0.000) 5.761 16.825 ( 6.376 -2.862 0.000) 6.989 16.877 ( 2.734 -6.624 0.000) 7.166 17.116 ( 1.178 4.586 0.000) 4.735 17.241 ( -1.953 -1.164 0.000) 2.274 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 13.730 4.758 0.000) 14.531 0.740 ( 8.746 11.776 0.000) 14.669 0.910 ( 8.110 -4.161 0.000) 9.116 0.991 ( 1.141 -1.543 0.000) 1.919 1.005 ( -0.492 1.756 0.000) 1.823 1.009 ( 0.772 0.968 0.000) 1.238 1.039 ( 2.389 -0.097 0.000) 2.391 1.047 ( 0.457 -0.163 0.000) 0.485 1.123 ( 3.358 3.077 0.000) 4.554 1.141 ( 1.892 0.834 0.000) 2.068 1.184 ( -1.567 0.001 0.000) 1.567 1.197 ( 2.490 2.955 0.000) 3.865 1.212 ( 0.893 -0.783 0.000) 1.188 1.270 ( -2.570 1.667 0.000) 3.064 1.325 ( 11.452 6.861 0.000) 13.350 1.341 ( -1.834 -3.445 0.000) 3.902 1.404 ( -1.911 5.207 0.000) 5.547 1.473 ( 0.583 0.661 0.000) 0.882 1.479 ( 0.738 0.899 0.000) 1.163 1.488 ( 0.396 1.295 0.000) 1.354 1.507 ( 3.388 1.606 0.000) 3.749 1.532 ( 3.205 0.426 0.000) 3.233 1.565 ( 0.675 -0.272 0.000) 0.727 1.579 ( -1.495 1.125 0.000) 1.871 1.581 ( -1.010 -0.180 0.000) 1.026 1.652 ( -1.144 -2.720 0.000) 2.951 1.668 ( -3.438 2.825 0.000) 4.450 1.680 ( 0.972 -1.174 0.000) 1.524 1.697 ( -0.076 -1.310 0.000) 1.312 1.745 ( 6.603 -0.064 0.000) 6.604 1.762 ( 3.210 2.373 0.000) 3.992 1.833 ( -0.685 -1.131 0.000) 1.323 1.925 ( -1.467 -0.352 0.000) 1.509 1.970 ( -1.484 0.736 0.000) 1.656 1.992 ( 0.707 -5.800 0.000) 5.843 2.000 ( 1.347 -2.103 0.000) 2.498 2.042 ( -0.163 0.493 0.000) 0.520 2.117 ( 1.404 1.556 0.000) 2.096 2.121 ( 2.269 1.698 0.000) 2.834 2.164 ( -0.204 -1.271 0.000) 1.287 2.173 ( 1.499 0.642 0.000) 1.630 2.198 ( 2.636 0.165 0.000) 2.641 2.205 ( 2.150 1.001 0.000) 2.372 2.217 ( 3.132 0.987 0.000) 3.284 2.239 ( -2.120 1.517 0.000) 2.606 2.305 ( 4.147 -0.567 0.000) 4.185 2.334 ( 2.563 1.183 0.000) 2.823 2.348 ( -1.088 -1.917 0.000) 2.204 2.357 ( -2.634 -0.021 0.000) 2.634 2.362 ( 1.136 -0.166 0.000) 1.148 2.418 ( -0.982 -0.794 0.000) 1.263 2.426 ( 1.533 -1.017 0.000) 1.839 2.478 ( 1.252 0.570 0.000) 1.375 2.502 ( 0.764 -1.241 0.000) 1.457 2.565 ( -1.268 -0.661 0.000) 1.430 2.577 ( 0.268 1.452 0.000) 1.476 2.623 ( 1.022 -1.463 0.000) 1.784 2.640 ( 3.696 -2.260 0.000) 4.332 2.645 ( 1.802 0.035 0.000) 1.802 2.666 ( 1.387 -0.637 0.000) 1.526 2.708 ( 2.764 -0.129 0.000) 2.767 2.731 ( -2.105 -1.220 0.000) 2.433 2.838 ( -1.123 -0.628 0.000) 1.286 2.838 ( 2.284 -0.669 0.000) 2.380 2.851 ( -4.710 -1.023 0.000) 4.820 2.891 ( 1.858 -2.727 0.000) 3.300 2.948 ( 2.038 0.599 0.000) 2.125 2.972 ( -0.844 -0.214 0.000) 0.870 3.002 ( 1.524 -2.111 0.000) 2.603 3.003 ( -0.832 -2.290 0.000) 2.437 3.053 ( 0.240 0.538 0.000) 0.589 3.112 ( -2.237 -1.647 0.000) 2.778 4.186 ( 6.524 1.416 0.000) 6.676 4.223 ( 1.448 -0.302 0.000) 1.479 4.247 ( 0.641 0.030 0.000) 0.642 4.264 ( 4.347 0.358 0.000) 4.362 4.289 ( 3.068 1.275 0.000) 3.322 4.324 ( 3.845 -0.822 0.000) 3.932 4.348 ( -2.585 2.117 0.000) 3.342 4.422 ( 4.627 -0.685 0.000) 4.678 4.422 ( 1.982 -0.834 0.000) 2.150 4.443 ( -0.894 -1.512 0.000) 1.756 4.523 ( 2.005 -0.465 0.000) 2.059 4.573 ( -0.626 0.434 0.000) 0.762 4.582 ( 3.517 -2.383 0.000) 4.249 4.596 ( -0.346 0.256 0.000) 0.430 4.625 ( 1.498 0.963 0.000) 1.781 4.649 ( -0.730 -0.484 0.000) 0.876 4.666 ( -1.003 0.618 0.000) 1.178 4.708 ( -1.540 3.229 0.000) 3.578 4.767 ( 1.364 -2.891 0.000) 3.196 4.863 ( 1.698 -2.274 0.000) 2.837 4.912 ( 4.315 0.345 0.000) 4.329 4.934 ( 1.656 -0.996 0.000) 1.932 5.014 ( -0.147 1.670 0.000) 1.677 5.088 ( -1.642 -2.397 0.000) 2.905 5.092 ( 1.095 0.224 0.000) 1.117 5.118 ( 1.259 -1.124 0.000) 1.688 5.240 ( 1.104 2.171 0.000) 2.436 5.280 ( 4.360 1.180 0.000) 4.517 5.298 ( -0.233 -0.387 0.000) 0.451 5.359 ( 1.424 1.501 0.000) 2.069 5.396 ( 1.333 -4.696 0.000) 4.882 5.404 ( 1.334 -1.761 0.000) 2.209 5.424 ( -2.159 -0.224 0.000) 2.171 5.451 ( -4.213 1.456 0.000) 4.458 5.487 ( 0.977 0.313 0.000) 1.025 5.501 ( -1.689 -1.491 0.000) 2.252 5.632 ( -0.535 6.305 0.000) 6.328 5.665 ( 2.416 4.645 0.000) 5.235 5.756 ( -6.659 -1.008 0.000) 6.735 5.775 ( -1.454 -0.516 0.000) 1.542 5.976 ( 2.645 2.050 0.000) 3.347 6.049 ( 0.761 -1.899 0.000) 2.045 6.140 ( -3.676 0.351 0.000) 3.693 6.153 ( -2.658 -1.415 0.000) 3.011 6.280 ( -1.135 -0.170 0.000) 1.148 6.313 ( -1.916 -1.032 0.000) 2.176 6.419 ( -0.425 2.340 0.000) 2.379 6.452 ( -1.332 0.389 0.000) 1.388 6.574 ( 2.853 0.372 0.000) 2.878 6.621 ( 2.805 -1.342 0.000) 3.109 6.626 ( 3.599 -0.739 0.000) 3.674 6.630 ( 2.577 0.328 0.000) 2.598 6.688 ( 1.211 -0.700 0.000) 1.399 6.712 ( -0.412 -0.615 0.000) 0.740 6.824 ( 6.538 0.585 0.000) 6.565 6.841 ( 5.529 -0.618 0.000) 5.563 6.860 ( 2.902 0.392 0.000) 2.928 6.904 ( 2.253 -2.206 0.000) 3.153 6.938 ( 1.208 -0.553 0.000) 1.329 6.966 ( 0.570 1.964 0.000) 2.045 7.018 ( -3.167 -1.949 0.000) 3.718 7.039 ( -0.100 2.469 0.000) 2.471 7.048 ( -1.733 3.725 0.000) 4.109 7.067 ( 3.532 1.454 0.000) 3.819 7.073 ( -0.654 1.049 0.000) 1.236 7.152 ( 2.421 4.526 0.000) 5.133 7.166 ( -2.468 0.962 0.000) 2.649 7.207 ( -3.428 0.353 0.000) 3.446 7.222 ( -0.262 2.081 0.000) 2.098 7.303 ( -1.328 -1.153 0.000) 1.759 7.310 ( -1.522 -2.022 0.000) 2.530 7.312 ( 0.695 5.178 0.000) 5.224 7.364 ( 0.453 -0.060 0.000) 0.457 7.420 ( -8.301 0.877 0.000) 8.347 7.431 ( -4.988 -5.331 0.000) 7.301 7.452 ( -5.112 -4.456 0.000) 6.781 7.497 ( -6.285 -3.020 0.000) 6.973 7.571 ( -3.421 -0.767 0.000) 3.506 7.642 ( -3.365 0.620 0.000) 3.422 7.662 ( 0.904 -5.977 0.000) 6.045 7.706 ( 3.338 -5.025 0.000) 6.032 7.739 ( 1.268 -3.347 0.000) 3.579 7.840 ( 0.181 -3.622 0.000) 3.627 7.875 ( -1.419 -10.235 0.000) 10.333 8.045 ( 0.334 8.413 0.000) 8.420 8.061 ( -0.946 5.696 0.000) 5.774 8.147 ( 3.736 7.536 0.000) 8.411 8.164 ( 1.944 2.448 0.000) 3.126 8.273 ( -1.543 6.320 0.000) 6.506 8.309 ( 1.107 -3.611 0.000) 3.776 8.331 ( -2.708 -1.601 0.000) 3.146 8.383 ( -4.481 -2.112 0.000) 4.954 8.412 ( -7.298 -0.818 0.000) 7.344 8.427 ( -1.217 -0.456 0.000) 1.300 8.602 ( -0.632 6.501 0.000) 6.532 8.848 ( -8.394 -3.622 0.000) 9.142 13.416 ( 3.119 0.228 0.000) 3.127 13.427 ( 2.046 -0.332 0.000) 2.073 13.449 ( 1.180 -0.218 0.000) 1.200 13.467 ( -0.015 -0.777 0.000) 0.777 13.517 ( 1.372 4.169 0.000) 4.389 13.561 ( -0.940 0.959 0.000) 1.343 13.593 ( -3.651 -0.736 0.000) 3.724 13.633 ( -3.820 0.192 0.000) 3.825 13.792 ( -0.529 0.507 0.000) 0.733 13.804 ( -0.884 -0.641 0.000) 1.092 13.850 ( 5.837 -3.955 0.000) 7.051 13.858 ( 4.309 -3.954 0.000) 5.848 13.919 ( -4.088 3.468 0.000) 5.361 13.964 ( -4.415 3.422 0.000) 5.586 14.142 ( -7.584 -4.918 0.000) 9.038 14.166 ( -7.761 -4.649 0.000) 9.047 15.412 ( 0.469 1.506 0.000) 1.577 15.443 ( -0.771 1.504 0.000) 1.690 15.497 ( 0.870 -2.509 0.000) 2.655 15.543 ( -1.722 -3.265 0.000) 3.691 15.600 ( -0.124 1.472 0.000) 1.477 15.628 ( -1.346 0.401 0.000) 1.404 15.717 ( -4.183 1.927 0.000) 4.605 15.737 ( -3.438 2.070 0.000) 4.013 15.849 ( -0.568 3.412 0.000) 3.459 15.898 ( -2.798 3.154 0.000) 4.217 15.900 ( -0.837 2.836 0.000) 2.957 15.941 ( -2.771 1.586 0.000) 3.193 16.000 ( -1.207 -1.185 0.000) 1.691 16.029 ( -3.124 0.899 0.000) 3.251 16.031 ( -3.094 -2.037 0.000) 3.704 16.118 ( -4.086 -0.533 0.000) 4.120 16.433 ( 1.992 0.937 0.000) 2.201 16.442 ( 1.931 1.483 0.000) 2.435 16.470 ( 1.778 1.318 0.000) 2.213 16.479 ( 1.605 1.734 0.000) 2.363 16.522 ( 3.319 -2.751 0.000) 4.311 16.557 ( 1.174 -2.876 0.000) 3.106 16.606 ( 0.625 -1.886 0.000) 1.987 16.618 ( 0.219 -3.179 0.000) 3.187 16.702 ( 4.525 3.774 0.000) 5.892 16.728 ( 3.253 2.572 0.000) 4.146 16.842 ( 8.000 2.741 0.000) 8.456 16.881 ( 4.734 -3.349 0.000) 5.799 16.942 ( 3.376 -5.766 0.000) 6.682 16.961 ( 6.501 -1.561 0.000) 6.686 17.125 ( -0.713 3.062 0.000) 3.144 17.169 ( -5.079 0.613 0.000) 5.116 ======================= Grid point 10 (8/36) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -6.593 5.389 0.000) 8.515 0.903 ( 6.593 5.389 0.000) 8.515 0.944 ( -8.973 3.400 0.000) 9.596 0.944 ( 8.973 3.400 0.000) 9.596 1.022 ( -2.256 -0.231 0.000) 2.268 1.022 ( 2.256 -0.231 0.000) 2.268 1.049 ( -2.350 -0.450 0.000) 2.392 1.049 ( 2.350 -0.450 0.000) 2.392 1.098 ( -4.130 0.464 0.000) 4.156 1.098 ( 4.130 0.464 0.000) 4.156 1.209 ( -2.371 -3.190 0.000) 3.975 1.209 ( 2.371 -3.190 0.000) 3.975 1.264 ( -1.922 -3.474 0.000) 3.970 1.264 ( 1.922 -3.474 0.000) 3.970 1.308 ( -4.275 7.325 0.000) 8.481 1.308 ( 4.275 7.325 0.000) 8.481 1.474 ( -0.308 0.906 0.000) 0.957 1.474 ( 0.308 0.906 0.000) 0.957 1.516 ( -0.585 1.172 0.000) 1.310 1.516 ( 0.585 1.172 0.000) 1.310 1.557 ( -1.189 0.986 0.000) 1.544 1.557 ( 1.189 0.986 0.000) 1.544 1.585 ( -1.589 -0.652 0.000) 1.718 1.585 ( 1.589 -0.652 0.000) 1.718 1.607 ( -1.544 1.195 0.000) 1.952 1.607 ( 1.544 1.195 0.000) 1.952 1.657 ( -5.222 2.756 0.000) 5.904 1.657 ( 5.222 2.756 0.000) 5.904 1.723 ( -4.587 1.792 0.000) 4.925 1.723 ( 4.587 1.792 0.000) 4.925 1.825 ( -1.158 0.116 0.000) 1.164 1.825 ( 1.158 0.116 0.000) 1.164 1.914 ( -1.179 1.414 0.000) 1.841 1.914 ( 1.179 1.414 0.000) 1.841 2.005 ( -0.431 -2.474 0.000) 2.511 2.005 ( 0.431 -2.474 0.000) 2.511 2.110 ( -4.555 -4.403 0.000) 6.335 2.110 ( 4.555 -4.403 0.000) 6.335 2.138 ( -1.124 -0.154 0.000) 1.134 2.138 ( 1.124 -0.154 0.000) 1.134 2.188 ( -1.248 -0.434 0.000) 1.321 2.188 ( 1.248 -0.434 0.000) 1.321 2.234 ( -0.097 2.571 0.000) 2.573 2.234 ( 0.097 2.571 0.000) 2.573 2.292 ( -1.993 -1.261 0.000) 2.358 2.292 ( 1.993 -1.261 0.000) 2.358 2.333 ( -1.402 1.206 0.000) 1.849 2.333 ( 1.402 1.206 0.000) 1.849 2.377 ( -0.621 -1.153 0.000) 1.309 2.377 ( 0.621 -1.153 0.000) 1.309 2.437 ( -1.085 -2.280 0.000) 2.525 2.437 ( 1.085 -2.280 0.000) 2.525 2.507 ( -0.085 -0.489 0.000) 0.496 2.507 ( 0.085 -0.489 0.000) 0.496 2.563 ( -0.943 2.319 0.000) 2.504 2.563 ( 0.943 2.319 0.000) 2.504 2.653 ( -0.578 -1.774 0.000) 1.865 2.653 ( 0.578 -1.774 0.000) 1.865 2.689 ( -0.023 -0.285 0.000) 0.286 2.689 ( 0.023 -0.285 0.000) 0.286 2.723 ( -2.133 0.830 0.000) 2.289 2.723 ( 2.133 0.830 0.000) 2.289 2.804 ( -1.623 -0.813 0.000) 1.815 2.804 ( 1.623 -0.813 0.000) 1.815 2.904 ( -2.236 -1.303 0.000) 2.588 2.904 ( 2.236 -1.303 0.000) 2.588 2.943 ( -0.199 -1.110 0.000) 1.128 2.943 ( 0.199 -1.110 0.000) 1.128 3.008 ( -0.375 -1.928 0.000) 1.964 3.008 ( 0.375 -1.928 0.000) 1.964 3.075 ( -1.372 -1.052 0.000) 1.729 3.075 ( 1.372 -1.052 0.000) 1.729 4.238 ( -0.416 -0.051 0.000) 0.419 4.238 ( 0.416 -0.051 0.000) 0.419 4.294 ( -3.159 1.870 0.000) 3.671 4.294 ( 3.159 1.870 0.000) 3.671 4.328 ( -0.249 1.166 0.000) 1.192 4.328 ( 0.249 1.166 0.000) 1.192 4.393 ( -3.174 -1.838 0.000) 3.668 4.393 ( 3.174 -1.838 0.000) 3.668 4.472 ( -1.157 -2.180 0.000) 2.468 4.472 ( 1.157 -2.180 0.000) 2.468 4.552 ( -0.976 1.167 0.000) 1.521 4.552 ( 0.976 1.167 0.000) 1.521 4.614 ( -1.781 0.030 0.000) 1.782 4.614 ( 1.781 0.030 0.000) 1.782 4.623 ( -0.207 0.811 0.000) 0.837 4.623 ( 0.207 0.811 0.000) 0.837 4.675 ( -1.543 1.615 0.000) 2.234 4.675 ( 1.543 1.615 0.000) 2.234 4.827 ( -4.544 -4.595 0.000) 6.462 4.827 ( 4.544 -4.595 0.000) 6.462 4.976 ( -2.694 1.120 0.000) 2.917 4.976 ( 2.694 1.120 0.000) 2.917 5.014 ( -4.673 -0.600 0.000) 4.712 5.014 ( 4.673 -0.600 0.000) 4.712 5.176 ( -0.411 0.279 0.000) 0.496 5.176 ( 0.411 0.279 0.000) 0.496 5.270 ( -2.570 -0.449 0.000) 2.609 5.270 ( 2.570 -0.449 0.000) 2.609 5.320 ( -3.300 1.580 0.000) 3.658 5.320 ( 3.300 1.580 0.000) 3.658 5.393 ( -1.901 -0.025 0.000) 1.901 5.393 ( 1.901 -0.025 0.000) 1.901 5.428 ( -0.290 -1.094 0.000) 1.131 5.428 ( 0.290 -1.094 0.000) 1.131 5.487 ( -0.381 -2.931 0.000) 2.956 5.487 ( 0.381 -2.931 0.000) 2.956 5.639 ( -2.953 4.513 0.000) 5.394 5.639 ( 2.953 4.513 0.000) 5.394 5.723 ( -3.155 1.860 0.000) 3.662 5.723 ( 3.155 1.860 0.000) 3.662 6.038 ( -2.977 0.220 0.000) 2.985 6.038 ( 2.977 0.220 0.000) 2.985 6.106 ( -1.468 0.031 0.000) 1.468 6.106 ( 1.468 0.031 0.000) 1.468 6.279 ( -1.031 -0.926 0.000) 1.386 6.279 ( 1.031 -0.926 0.000) 1.386 6.424 ( -1.038 1.247 0.000) 1.623 6.424 ( 1.038 1.247 0.000) 1.623 6.625 ( -1.854 -0.154 0.000) 1.861 6.625 ( 1.854 -0.154 0.000) 1.861 6.680 ( -0.283 -1.832 0.000) 1.854 6.680 ( 0.283 -1.832 0.000) 1.854 6.694 ( -1.062 0.913 0.000) 1.400 6.694 ( 1.062 0.913 0.000) 1.400 6.894 ( -1.095 0.118 0.000) 1.101 6.894 ( 1.095 0.118 0.000) 1.101 6.933 ( -2.134 0.456 0.000) 2.182 6.933 ( 2.134 0.456 0.000) 2.182 6.943 ( -1.186 0.635 0.000) 1.345 6.943 ( 1.186 0.635 0.000) 1.345 6.998 ( -1.234 -1.587 0.000) 2.011 6.998 ( 1.234 -1.587 0.000) 2.011 7.079 ( -1.500 2.766 0.000) 3.146 7.079 ( 1.500 2.766 0.000) 3.146 7.139 ( -0.804 1.274 0.000) 1.507 7.139 ( 0.804 1.274 0.000) 1.507 7.199 ( -2.123 1.580 0.000) 2.646 7.199 ( 2.123 1.580 0.000) 2.646 7.229 ( -4.705 -0.509 0.000) 4.733 7.229 ( 4.705 -0.509 0.000) 4.733 7.265 ( -1.980 2.971 0.000) 3.570 7.265 ( 1.980 2.971 0.000) 3.570 7.364 ( -1.622 -5.968 0.000) 6.185 7.364 ( 1.622 -5.968 0.000) 6.185 7.402 ( -3.017 0.171 0.000) 3.022 7.402 ( 3.017 0.171 0.000) 3.022 7.434 ( -6.907 4.049 0.000) 8.006 7.434 ( 6.907 4.049 0.000) 8.006 7.641 ( -1.884 -0.249 0.000) 1.901 7.641 ( 1.884 -0.249 0.000) 1.901 7.784 ( -0.902 -11.205 0.000) 11.241 7.784 ( 0.902 -11.205 0.000) 11.241 7.826 ( -1.373 -5.269 0.000) 5.445 7.826 ( 1.373 -5.269 0.000) 5.445 8.046 ( -0.219 7.094 0.000) 7.097 8.046 ( 0.219 7.094 0.000) 7.097 8.242 ( -1.917 4.512 0.000) 4.902 8.242 ( 1.917 4.512 0.000) 4.902 8.266 ( -2.992 -0.031 0.000) 2.992 8.266 ( 2.992 -0.031 0.000) 2.992 8.288 ( -2.814 1.118 0.000) 3.028 8.288 ( 2.814 1.118 0.000) 3.028 8.371 ( -2.661 -0.010 0.000) 2.661 8.371 ( 2.661 -0.010 0.000) 2.661 8.686 ( -7.186 -2.053 0.000) 7.474 8.686 ( 7.186 -2.053 0.000) 7.474 13.462 ( -0.630 0.042 0.000) 0.632 13.462 ( 0.630 0.042 0.000) 0.632 13.464 ( -0.381 -0.108 0.000) 0.396 13.464 ( 0.381 -0.108 0.000) 0.396 13.533 ( -1.117 0.578 0.000) 1.258 13.533 ( 1.117 0.578 0.000) 1.258 13.570 ( -2.410 0.936 0.000) 2.586 13.570 ( 2.410 0.936 0.000) 2.586 13.799 ( -0.319 1.861 0.000) 1.888 13.799 ( 0.319 1.861 0.000) 1.888 13.870 ( -0.309 1.028 0.000) 1.073 13.870 ( 0.309 1.028 0.000) 1.073 13.986 ( -7.019 -4.286 0.000) 8.224 13.986 ( 7.019 -4.286 0.000) 8.224 14.012 ( -6.636 -3.623 0.000) 7.561 14.012 ( 6.636 -3.623 0.000) 7.561 15.425 ( -0.869 1.508 0.000) 1.740 15.425 ( 0.869 1.508 0.000) 1.740 15.516 ( -1.030 -2.750 0.000) 2.937 15.516 ( 1.030 -2.750 0.000) 2.937 15.609 ( -0.969 1.565 0.000) 1.841 15.609 ( 0.969 1.565 0.000) 1.841 15.685 ( -1.241 -0.098 0.000) 1.245 15.685 ( 1.241 -0.098 0.000) 1.245 15.854 ( -1.173 2.930 0.000) 3.156 15.854 ( 1.173 2.930 0.000) 3.156 15.904 ( -1.106 3.174 0.000) 3.362 15.904 ( 1.106 3.174 0.000) 3.362 15.991 ( -0.692 -1.083 0.000) 1.285 15.991 ( 0.692 -1.083 0.000) 1.285 16.040 ( -3.170 -0.489 0.000) 3.207 16.040 ( 3.170 -0.489 0.000) 3.207 16.456 ( -0.312 1.413 0.000) 1.447 16.456 ( 0.312 1.413 0.000) 1.447 16.492 ( -0.273 1.588 0.000) 1.611 16.492 ( 0.273 1.588 0.000) 1.611 16.561 ( -0.785 -2.862 0.000) 2.968 16.561 ( 0.785 -2.862 0.000) 2.968 16.615 ( -0.335 -2.102 0.000) 2.128 16.615 ( 0.335 -2.102 0.000) 2.128 16.759 ( -0.667 2.991 0.000) 3.064 16.759 ( 0.667 2.991 0.000) 3.064 16.934 ( -0.103 -3.155 0.000) 3.156 16.934 ( 0.103 -3.155 0.000) 3.156 17.032 ( -4.640 0.803 0.000) 4.709 17.032 ( 4.640 0.803 0.000) 4.709 17.084 ( -2.063 0.276 0.000) 2.082 17.084 ( 2.063 0.276 0.000) 2.082 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 -10.292 0.000) 10.292 0.506 ( 0.000 10.292 0.000) 10.292 0.583 ( 0.000 -13.000 0.000) 13.000 0.583 ( 0.000 13.000 0.000) 13.000 0.962 ( 0.000 -0.157 0.000) 0.157 0.962 ( 0.000 0.157 0.000) 0.157 0.989 ( 0.000 -8.454 0.000) 8.454 0.989 ( 0.000 8.454 0.000) 8.454 1.057 ( 0.000 -3.379 0.000) 3.379 1.057 ( 0.000 3.379 0.000) 3.379 1.200 ( 0.000 -5.102 0.000) 5.102 1.200 ( 0.000 5.102 0.000) 5.102 1.239 ( 0.000 -6.125 0.000) 6.125 1.239 ( 0.000 6.125 0.000) 6.125 1.364 ( 0.000 -3.157 0.000) 3.157 1.364 ( 0.000 3.157 0.000) 3.157 1.401 ( 0.000 -0.487 0.000) 0.487 1.401 ( 0.000 0.487 0.000) 0.487 1.442 ( 0.000 -8.674 0.000) 8.674 1.442 ( 0.000 8.674 0.000) 8.674 1.487 ( 0.000 -4.148 0.000) 4.148 1.487 ( 0.000 4.148 0.000) 4.148 1.521 ( 0.000 -2.651 0.000) 2.651 1.521 ( 0.000 2.651 0.000) 2.651 1.523 ( 0.000 -5.953 0.000) 5.953 1.523 ( 0.000 5.953 0.000) 5.953 1.615 ( 0.000 -5.139 0.000) 5.139 1.615 ( 0.000 5.139 0.000) 5.139 1.665 ( 0.000 -1.566 0.000) 1.566 1.665 ( 0.000 1.566 0.000) 1.566 1.805 ( 0.000 -2.314 0.000) 2.314 1.805 ( 0.000 2.314 0.000) 2.314 1.900 ( 0.000 -2.643 0.000) 2.643 1.900 ( 0.000 2.643 0.000) 2.643 1.929 ( 0.000 -4.446 0.000) 4.446 1.929 ( 0.000 4.446 0.000) 4.446 2.029 ( 0.000 -3.955 0.000) 3.955 2.029 ( 0.000 3.955 0.000) 3.955 2.159 ( 0.000 -3.154 0.000) 3.154 2.159 ( 0.000 3.154 0.000) 3.154 2.163 ( 0.000 -2.653 0.000) 2.653 2.163 ( 0.000 2.653 0.000) 2.653 2.169 ( 0.000 -2.113 0.000) 2.113 2.169 ( 0.000 2.113 0.000) 2.113 2.341 ( 0.000 -0.213 0.000) 0.213 2.341 ( 0.000 0.213 0.000) 0.213 2.354 ( 0.000 -7.029 0.000) 7.029 2.354 ( 0.000 7.029 0.000) 7.029 2.387 ( 0.000 -2.268 0.000) 2.268 2.387 ( 0.000 2.268 0.000) 2.268 2.427 ( 0.000 -0.411 0.000) 0.411 2.427 ( 0.000 0.411 0.000) 0.411 2.491 ( 0.000 -2.423 0.000) 2.423 2.491 ( 0.000 2.423 0.000) 2.423 2.506 ( 0.000 -2.414 0.000) 2.414 2.506 ( 0.000 2.414 0.000) 2.414 2.623 ( 0.000 -0.345 0.000) 0.345 2.623 ( 0.000 0.345 0.000) 0.345 2.646 ( 0.000 -4.382 0.000) 4.382 2.646 ( 0.000 4.382 0.000) 4.382 2.716 ( 0.000 -0.351 0.000) 0.351 2.716 ( 0.000 0.351 0.000) 0.351 2.746 ( 0.000 -0.118 0.000) 0.118 2.746 ( 0.000 0.118 0.000) 0.118 2.882 ( 0.000 -0.247 0.000) 0.247 2.882 ( 0.000 0.247 0.000) 0.247 2.948 ( 0.000 -1.920 0.000) 1.920 2.948 ( 0.000 1.920 0.000) 1.920 2.958 ( 0.000 -1.060 0.000) 1.060 2.958 ( 0.000 1.060 0.000) 1.060 3.116 ( 0.000 -2.870 0.000) 2.870 3.116 ( 0.000 2.870 0.000) 2.870 4.080 ( 0.000 -3.796 0.000) 3.796 4.080 ( 0.000 3.796 0.000) 3.796 4.177 ( 0.000 -1.060 0.000) 1.060 4.177 ( 0.000 1.060 0.000) 1.060 4.221 ( 0.000 -1.154 0.000) 1.154 4.221 ( 0.000 1.154 0.000) 1.154 4.335 ( 0.000 -2.608 0.000) 2.608 4.335 ( 0.000 2.608 0.000) 2.608 4.384 ( 0.000 -1.707 0.000) 1.707 4.384 ( 0.000 1.707 0.000) 1.707 4.588 ( 0.000 -4.265 0.000) 4.265 4.588 ( 0.000 4.265 0.000) 4.265 4.615 ( 0.000 -0.329 0.000) 0.329 4.615 ( 0.000 0.329 0.000) 0.329 4.634 ( 0.000 -1.987 0.000) 1.987 4.634 ( 0.000 1.987 0.000) 1.987 4.696 ( 0.000 -2.110 0.000) 2.110 4.696 ( 0.000 2.110 0.000) 2.110 4.698 ( 0.000 -2.952 0.000) 2.952 4.698 ( 0.000 2.952 0.000) 2.952 4.839 ( 0.000 -0.837 0.000) 0.837 4.839 ( 0.000 0.837 0.000) 0.837 5.091 ( 0.000 -1.350 0.000) 1.350 5.091 ( 0.000 1.350 0.000) 1.350 5.134 ( 0.000 -2.553 0.000) 2.553 5.134 ( 0.000 2.553 0.000) 2.553 5.214 ( 0.000 -0.476 0.000) 0.476 5.214 ( 0.000 0.476 0.000) 0.476 5.286 ( 0.000 -0.989 0.000) 0.989 5.286 ( 0.000 0.989 0.000) 0.989 5.328 ( 0.000 -1.359 0.000) 1.359 5.328 ( 0.000 1.359 0.000) 1.359 5.425 ( 0.000 -1.134 0.000) 1.134 5.425 ( 0.000 1.134 0.000) 1.134 5.471 ( 0.000 -0.731 0.000) 0.731 5.471 ( 0.000 0.731 0.000) 0.731 5.677 ( 0.000 -0.028 0.000) 0.028 5.677 ( 0.000 0.028 0.000) 0.028 5.717 ( 0.000 -4.252 0.000) 4.252 5.717 ( 0.000 4.252 0.000) 4.252 5.996 ( 0.000 -3.662 0.000) 3.662 5.996 ( 0.000 3.662 0.000) 3.662 6.216 ( 0.000 -0.101 0.000) 0.101 6.216 ( 0.000 0.101 0.000) 0.101 6.341 ( 0.000 -2.091 0.000) 2.091 6.341 ( 0.000 2.091 0.000) 2.091 6.461 ( 0.000 -0.430 0.000) 0.430 6.461 ( 0.000 0.430 0.000) 0.430 6.466 ( 0.000 -2.212 0.000) 2.212 6.466 ( 0.000 2.212 0.000) 2.212 6.574 ( 0.000 -0.334 0.000) 0.334 6.574 ( 0.000 0.334 0.000) 0.334 6.622 ( 0.000 -0.431 0.000) 0.431 6.622 ( 0.000 0.431 0.000) 0.431 6.721 ( 0.000 -0.366 0.000) 0.366 6.721 ( 0.000 0.366 0.000) 0.366 6.860 ( 0.000 -3.502 0.000) 3.502 6.860 ( 0.000 3.502 0.000) 3.502 6.866 ( 0.000 -1.031 0.000) 1.031 6.866 ( 0.000 1.031 0.000) 1.031 7.009 ( 0.000 -0.727 0.000) 0.727 7.009 ( 0.000 0.727 0.000) 0.727 7.139 ( 0.000 -3.043 0.000) 3.043 7.139 ( 0.000 3.043 0.000) 3.043 7.198 ( 0.000 -0.707 0.000) 0.707 7.198 ( 0.000 0.707 0.000) 0.707 7.239 ( 0.000 -2.386 0.000) 2.386 7.239 ( 0.000 2.386 0.000) 2.386 7.254 ( 0.000 -4.397 0.000) 4.397 7.254 ( 0.000 4.397 0.000) 4.397 7.331 ( 0.000 -3.438 0.000) 3.438 7.331 ( 0.000 3.438 0.000) 3.438 7.476 ( 0.000 -3.744 0.000) 3.744 7.476 ( 0.000 3.744 0.000) 3.744 7.490 ( 0.000 -12.240 0.000) 12.240 7.490 ( 0.000 12.240 0.000) 12.240 7.538 ( 0.000 -2.722 0.000) 2.722 7.538 ( 0.000 2.722 0.000) 2.722 7.687 ( 0.000 -4.189 0.000) 4.189 7.687 ( 0.000 4.189 0.000) 4.189 7.763 ( 0.000 -4.471 0.000) 4.471 7.763 ( 0.000 4.471 0.000) 4.471 7.789 ( 0.000 -3.015 0.000) 3.015 7.789 ( 0.000 3.015 0.000) 3.015 8.150 ( 0.000 -5.275 0.000) 5.275 8.150 ( 0.000 5.275 0.000) 5.275 8.197 ( 0.000 -5.140 0.000) 5.140 8.197 ( 0.000 5.140 0.000) 5.140 8.260 ( 0.000 -7.842 0.000) 7.842 8.260 ( 0.000 7.842 0.000) 7.842 8.390 ( 0.000 -7.599 0.000) 7.599 8.390 ( 0.000 7.599 0.000) 7.599 8.596 ( 0.000 -0.510 0.000) 0.510 8.596 ( 0.000 0.510 0.000) 0.510 8.995 ( 0.000 -4.660 0.000) 4.660 8.995 ( 0.000 4.660 0.000) 4.660 13.364 ( 0.000 -1.494 0.000) 1.494 13.364 ( 0.000 1.494 0.000) 1.494 13.428 ( 0.000 -1.923 0.000) 1.923 13.428 ( 0.000 1.923 0.000) 1.923 13.602 ( 0.000 -7.356 0.000) 7.356 13.602 ( 0.000 7.356 0.000) 7.356 13.635 ( 0.000 -2.924 0.000) 2.924 13.635 ( 0.000 2.924 0.000) 2.924 13.792 ( 0.000 -2.741 0.000) 2.741 13.792 ( 0.000 2.741 0.000) 2.741 13.826 ( 0.000 -0.970 0.000) 0.970 13.826 ( 0.000 0.970 0.000) 0.970 14.172 ( 0.000 -8.683 0.000) 8.683 14.172 ( 0.000 8.683 0.000) 8.683 14.229 ( 0.000 -7.226 0.000) 7.226 14.229 ( 0.000 7.226 0.000) 7.226 15.439 ( 0.000 -2.038 0.000) 2.038 15.439 ( 0.000 2.038 0.000) 2.038 15.513 ( 0.000 -3.755 0.000) 3.755 15.513 ( 0.000 3.755 0.000) 3.755 15.650 ( 0.000 -2.909 0.000) 2.909 15.650 ( 0.000 2.909 0.000) 2.909 16.004 ( 0.000 -5.148 0.000) 5.148 16.004 ( 0.000 5.148 0.000) 5.148 16.040 ( 0.000 -6.165 0.000) 6.165 16.040 ( 0.000 6.165 0.000) 6.165 16.059 ( 0.000 -2.759 0.000) 2.759 16.059 ( 0.000 2.759 0.000) 2.759 16.104 ( 0.000 -6.771 0.000) 6.771 16.104 ( 0.000 6.771 0.000) 6.771 16.225 ( 0.000 -1.007 0.000) 1.007 16.225 ( 0.000 1.007 0.000) 1.007 16.299 ( 0.000 -1.385 0.000) 1.385 16.299 ( 0.000 1.385 0.000) 1.385 16.308 ( 0.000 -0.463 0.000) 0.463 16.308 ( 0.000 0.463 0.000) 0.463 16.394 ( 0.000 -0.246 0.000) 0.246 16.394 ( 0.000 0.246 0.000) 0.246 16.506 ( 0.000 -1.343 0.000) 1.343 16.506 ( 0.000 1.343 0.000) 1.343 16.651 ( 0.000 -3.364 0.000) 3.364 16.651 ( 0.000 3.364 0.000) 3.364 16.699 ( 0.000 -3.274 0.000) 3.274 16.699 ( 0.000 3.274 0.000) 3.274 16.736 ( 0.000 -5.117 0.000) 5.117 16.736 ( 0.000 5.117 0.000) 5.117 17.184 ( 0.000 -4.197 0.000) 4.197 17.184 ( 0.000 4.197 0.000) 4.197 ======================= Grid point 16 (10/36) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 8.291 -9.196 0.000) 12.382 0.598 ( 8.291 9.196 0.000) 12.382 0.767 ( 12.505 -9.687 0.000) 15.818 0.767 ( 12.505 9.687 0.000) 15.818 0.976 ( 1.942 -0.001 0.000) 1.942 0.976 ( 1.942 0.001 0.000) 1.942 1.014 ( 3.765 -4.690 0.000) 6.015 1.014 ( 3.765 4.690 0.000) 6.015 1.054 ( -0.240 -2.096 0.000) 2.109 1.054 ( -0.240 2.096 0.000) 2.109 1.214 ( 0.714 -2.558 0.000) 2.656 1.214 ( 0.714 2.558 0.000) 2.656 1.313 ( 3.988 -6.008 0.000) 7.211 1.313 ( 3.988 6.008 0.000) 7.211 1.370 ( 0.301 -0.570 0.000) 0.645 1.370 ( 0.301 0.570 0.000) 0.645 1.403 ( -0.427 -2.054 0.000) 2.098 1.403 ( -0.427 2.054 0.000) 2.098 1.444 ( 2.768 -0.142 0.000) 2.771 1.444 ( 2.768 0.142 0.000) 2.771 1.479 ( 0.215 -0.099 0.000) 0.237 1.479 ( 0.215 0.099 0.000) 0.237 1.539 ( 1.378 -0.205 0.000) 1.393 1.539 ( 1.378 0.205 0.000) 1.393 1.603 ( 3.089 -1.138 0.000) 3.292 1.603 ( 3.089 1.138 0.000) 3.292 1.623 ( 2.240 -4.706 0.000) 5.211 1.623 ( 2.240 4.706 0.000) 5.211 1.680 ( 1.718 -1.009 0.000) 1.993 1.680 ( 1.718 1.009 0.000) 1.993 1.777 ( -2.024 -0.230 0.000) 2.037 1.777 ( -2.024 0.230 0.000) 2.037 1.904 ( 1.138 -0.973 0.000) 1.497 1.904 ( 1.138 0.973 0.000) 1.497 1.989 ( 1.783 -1.278 0.000) 2.194 1.989 ( 1.783 1.278 0.000) 2.194 2.079 ( 4.516 -2.842 0.000) 5.336 2.079 ( 4.516 2.842 0.000) 5.336 2.145 ( -0.562 -3.895 0.000) 3.935 2.145 ( -0.562 3.895 0.000) 3.935 2.156 ( 0.862 -1.321 0.000) 1.578 2.156 ( 0.862 1.321 0.000) 1.578 2.177 ( 0.650 -0.943 0.000) 1.145 2.177 ( 0.650 0.943 0.000) 1.145 2.298 ( -2.629 -1.462 0.000) 3.009 2.298 ( -2.629 1.462 0.000) 3.009 2.343 ( -0.793 -0.271 0.000) 0.838 2.343 ( -0.793 0.271 0.000) 0.838 2.366 ( -0.745 -0.729 0.000) 1.043 2.366 ( -0.745 0.729 0.000) 1.043 2.424 ( -1.251 -0.166 0.000) 1.262 2.424 ( -1.251 0.166 0.000) 1.262 2.463 ( -0.446 -0.668 0.000) 0.803 2.463 ( -0.446 0.668 0.000) 0.803 2.541 ( 1.746 -1.311 0.000) 2.184 2.541 ( 1.746 1.311 0.000) 2.184 2.614 ( -1.407 -0.001 0.000) 1.407 2.614 ( -1.407 0.001 0.000) 1.407 2.638 ( -0.499 -0.203 0.000) 0.539 2.638 ( -0.499 0.203 0.000) 0.539 2.682 ( 1.353 -3.053 0.000) 3.339 2.682 ( 1.353 3.053 0.000) 3.339 2.818 ( 2.171 -0.235 0.000) 2.183 2.818 ( 2.171 0.235 0.000) 2.183 2.889 ( -2.240 -2.034 0.000) 3.026 2.889 ( -2.240 2.034 0.000) 3.026 2.907 ( 2.106 -0.039 0.000) 2.106 2.907 ( 2.106 0.039 0.000) 2.106 2.984 ( 0.322 -0.150 0.000) 0.355 2.984 ( 0.322 0.150 0.000) 0.355 3.106 ( -1.094 -1.828 0.000) 2.131 3.106 ( -1.094 1.828 0.000) 2.131 4.119 ( 3.702 -2.996 0.000) 4.762 4.119 ( 3.702 2.996 0.000) 4.762 4.224 ( 2.614 -0.011 0.000) 2.614 4.224 ( 2.614 0.011 0.000) 2.614 4.234 ( 2.601 -0.006 0.000) 2.601 4.234 ( 2.601 0.006 0.000) 2.601 4.348 ( 2.043 -1.534 0.000) 2.555 4.348 ( 2.043 1.534 0.000) 2.555 4.415 ( 1.845 -0.306 0.000) 1.871 4.415 ( 1.845 0.306 0.000) 1.871 4.519 ( -3.201 -2.487 0.000) 4.054 4.519 ( -3.201 2.487 0.000) 4.054 4.604 ( -1.079 -0.201 0.000) 1.097 4.604 ( -1.079 0.201 0.000) 1.097 4.630 ( 0.140 -0.681 0.000) 0.695 4.630 ( 0.140 0.681 0.000) 0.695 4.693 ( 0.331 -1.608 0.000) 1.642 4.693 ( 0.331 1.608 0.000) 1.642 4.767 ( 3.306 -2.822 0.000) 4.347 4.767 ( 3.306 2.822 0.000) 4.347 4.863 ( 2.317 -0.644 0.000) 2.405 4.863 ( 2.317 0.644 0.000) 2.405 5.067 ( -1.627 -0.557 0.000) 1.719 5.067 ( -1.627 0.557 0.000) 1.719 5.119 ( -1.364 -0.569 0.000) 1.478 5.119 ( -1.364 0.569 0.000) 1.478 5.227 ( 2.255 -0.116 0.000) 2.258 5.227 ( 2.255 0.116 0.000) 2.258 5.299 ( 0.277 -2.045 0.000) 2.064 5.299 ( 0.277 2.045 0.000) 2.064 5.353 ( 1.189 -0.283 0.000) 1.222 5.353 ( 1.189 0.283 0.000) 1.222 5.448 ( 1.075 -0.266 0.000) 1.108 5.448 ( 1.075 0.266 0.000) 1.108 5.519 ( 1.907 -2.901 0.000) 3.472 5.519 ( 1.907 2.901 0.000) 3.472 5.695 ( 1.544 -0.204 0.000) 1.558 5.695 ( 1.544 0.204 0.000) 1.558 5.734 ( 2.077 -2.508 0.000) 3.257 5.734 ( 2.077 2.508 0.000) 3.257 5.997 ( 0.206 -2.206 0.000) 2.216 5.997 ( 0.206 2.206 0.000) 2.216 6.191 ( -2.294 -0.015 0.000) 2.294 6.191 ( -2.294 0.015 0.000) 2.294 6.327 ( -1.392 -0.004 0.000) 1.392 6.327 ( -1.392 0.004 0.000) 1.392 6.462 ( 0.281 -0.177 0.000) 0.332 6.462 ( 0.281 0.177 0.000) 0.332 6.517 ( 3.530 -0.004 0.000) 3.530 6.517 ( 3.530 0.004 0.000) 3.530 6.589 ( 1.158 -1.015 0.000) 1.540 6.589 ( 1.158 1.015 0.000) 1.540 6.648 ( 3.155 -0.399 0.000) 3.180 6.648 ( 3.155 0.399 0.000) 3.180 6.741 ( 2.136 -0.073 0.000) 2.137 6.741 ( 2.136 0.073 0.000) 2.137 6.834 ( 0.319 -0.002 0.000) 0.319 6.834 ( 0.319 0.002 0.000) 0.319 6.939 ( 4.001 -2.548 0.000) 4.743 6.939 ( 4.001 2.548 0.000) 4.743 6.998 ( 0.023 -0.003 0.000) 0.023 6.998 ( 0.023 0.003 0.000) 0.023 7.123 ( -4.679 -0.706 0.000) 4.732 7.123 ( -4.679 0.706 0.000) 4.732 7.166 ( 1.461 -2.593 0.000) 2.976 7.166 ( 1.461 2.593 0.000) 2.976 7.213 ( -1.544 -0.823 0.000) 1.750 7.213 ( -1.544 0.823 0.000) 1.750 7.292 ( -2.378 -3.721 0.000) 4.416 7.292 ( -2.378 3.721 0.000) 4.416 7.323 ( 3.089 -0.063 0.000) 3.090 7.323 ( 3.089 0.063 0.000) 3.090 7.434 ( -4.065 -0.000 0.000) 4.065 7.434 ( -4.065 0.000 0.000) 4.065 7.489 ( -0.867 -5.014 0.000) 5.089 7.489 ( -0.867 5.014 0.000) 5.089 7.517 ( -0.468 -2.284 0.000) 2.332 7.517 ( -0.468 2.284 0.000) 2.332 7.679 ( -7.156 -3.458 0.000) 7.948 7.679 ( -7.156 3.458 0.000) 7.948 7.737 ( 3.181 -1.190 0.000) 3.396 7.737 ( 3.181 1.190 0.000) 3.396 7.777 ( -1.643 -1.903 0.000) 2.514 7.777 ( -1.643 1.903 0.000) 2.514 8.163 ( 0.794 -3.049 0.000) 3.151 8.163 ( 0.794 3.049 0.000) 3.151 8.194 ( 0.115 -4.035 0.000) 4.037 8.194 ( 0.115 4.035 0.000) 4.037 8.256 ( -0.319 -5.732 0.000) 5.741 8.256 ( -0.319 5.732 0.000) 5.741 8.371 ( -1.385 -5.433 0.000) 5.607 8.371 ( -1.385 5.433 0.000) 5.607 8.527 ( -6.175 -1.123 0.000) 6.277 8.527 ( -6.175 1.123 0.000) 6.277 8.904 ( -7.593 -7.182 0.000) 10.451 8.904 ( -7.593 7.182 0.000) 10.451 13.379 ( 1.521 -1.077 0.000) 1.864 13.379 ( 1.521 1.077 0.000) 1.864 13.435 ( 0.687 -1.405 0.000) 1.564 13.435 ( 0.687 1.405 0.000) 1.564 13.603 ( -0.617 -5.099 0.000) 5.136 13.603 ( -0.617 5.099 0.000) 5.136 13.632 ( -0.186 -4.430 0.000) 4.434 13.632 ( -0.186 4.430 0.000) 4.434 13.764 ( -1.281 -1.085 0.000) 1.679 13.764 ( -1.281 1.085 0.000) 1.679 13.811 ( -1.012 -0.002 0.000) 1.012 13.811 ( -1.012 0.002 0.000) 1.012 14.121 ( -4.795 -5.744 0.000) 7.482 14.121 ( -4.795 5.744 0.000) 7.482 14.187 ( -4.061 -3.860 0.000) 5.602 14.187 ( -4.061 3.860 0.000) 5.602 15.441 ( 0.153 -1.910 0.000) 1.917 15.441 ( 0.153 1.910 0.000) 1.917 15.504 ( -0.757 -3.293 0.000) 3.379 15.504 ( -0.757 3.293 0.000) 3.379 15.640 ( -0.907 -2.018 0.000) 2.213 15.640 ( -0.907 2.018 0.000) 2.213 15.888 ( -8.138 -0.811 0.000) 8.178 15.888 ( -8.138 0.811 0.000) 8.178 15.967 ( -3.975 -3.161 0.000) 5.078 15.967 ( -3.975 3.161 0.000) 5.078 16.015 ( -3.819 -3.671 0.000) 5.298 16.015 ( -3.819 3.671 0.000) 5.298 16.061 ( -4.800 -3.704 0.000) 6.063 16.061 ( -4.800 3.704 0.000) 6.063 16.143 ( -2.872 -1.082 0.000) 3.069 16.143 ( -2.872 1.082 0.000) 3.069 16.379 ( 5.312 -0.030 0.000) 5.312 16.379 ( 5.312 0.030 0.000) 5.312 16.414 ( 6.048 -0.588 0.000) 6.076 16.414 ( 6.048 0.588 0.000) 6.076 16.460 ( 3.174 -2.169 0.000) 3.844 16.460 ( 3.174 2.169 0.000) 3.844 16.544 ( 2.277 -0.498 0.000) 2.331 16.544 ( 2.277 0.498 0.000) 2.331 16.692 ( 3.964 -3.797 0.000) 5.489 16.692 ( 3.964 3.797 0.000) 5.489 16.757 ( 4.042 -0.041 0.000) 4.042 16.757 ( 4.042 0.041 0.000) 4.042 16.765 ( 4.694 -0.915 0.000) 4.782 16.765 ( 4.694 0.915 0.000) 4.782 17.193 ( 0.154 -3.327 0.000) 3.331 17.193 ( 0.154 3.327 0.000) 3.331 ======================= Grid point 18 (11/36) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 11.199 -5.419 0.000) 12.441 0.803 ( 11.199 5.419 0.000) 12.441 0.923 ( 4.481 -6.173 0.000) 7.628 0.923 ( 4.481 6.173 0.000) 7.628 1.027 ( 2.020 -0.276 0.000) 2.039 1.027 ( 2.020 0.276 0.000) 2.039 1.036 ( -0.390 -0.035 0.000) 0.391 1.036 ( -0.390 0.035 0.000) 0.391 1.138 ( 3.832 -0.000 0.000) 3.832 1.138 ( 3.832 0.000 0.000) 3.832 1.203 ( -1.816 -0.014 0.000) 1.816 1.203 ( -1.816 0.014 0.000) 1.816 1.255 ( -6.426 -3.747 0.000) 7.438 1.255 ( -6.426 3.747 0.000) 7.438 1.413 ( 2.583 -6.792 0.000) 7.266 1.413 ( 2.583 6.792 0.000) 7.266 1.459 ( 3.631 -2.449 0.000) 4.380 1.459 ( 3.631 2.449 0.000) 4.380 1.513 ( 3.972 -3.139 0.000) 5.062 1.513 ( 3.972 3.139 0.000) 5.062 1.521 ( 0.850 -0.199 0.000) 0.873 1.521 ( 0.850 0.199 0.000) 0.873 1.535 ( 1.485 -0.078 0.000) 1.487 1.535 ( 1.485 0.078 0.000) 1.487 1.613 ( 0.444 -1.440 0.000) 1.507 1.613 ( 0.444 1.440 0.000) 1.507 1.665 ( -1.657 -0.462 0.000) 1.720 1.665 ( -1.657 0.462 0.000) 1.720 1.751 ( 6.282 -0.385 0.000) 6.293 1.751 ( 6.282 0.385 0.000) 6.293 1.771 ( 1.550 -4.339 0.000) 4.607 1.771 ( 1.550 4.339 0.000) 4.607 1.908 ( -1.021 -0.158 0.000) 1.033 1.908 ( -1.021 0.158 0.000) 1.033 1.991 ( -0.512 -0.813 0.000) 0.961 1.991 ( -0.512 0.813 0.000) 0.961 2.100 ( -0.863 -3.923 0.000) 4.017 2.100 ( -0.863 3.923 0.000) 4.017 2.156 ( -2.658 -0.000 0.000) 2.658 2.156 ( -2.658 0.000 0.000) 2.658 2.174 ( 1.009 -1.957 0.000) 2.202 2.174 ( 1.009 1.957 0.000) 2.202 2.246 ( 3.772 -2.925 0.000) 4.773 2.246 ( 3.772 2.925 0.000) 4.773 2.257 ( 1.319 -1.689 0.000) 2.144 2.257 ( 1.319 1.689 0.000) 2.144 2.337 ( -0.963 -0.730 0.000) 1.208 2.337 ( -0.963 0.730 0.000) 1.208 2.362 ( 0.327 -0.060 0.000) 0.333 2.362 ( 0.327 0.060 0.000) 0.333 2.407 ( -0.333 -0.003 0.000) 0.333 2.407 ( -0.333 0.003 0.000) 0.333 2.486 ( 1.940 -0.109 0.000) 1.944 2.486 ( 1.940 0.109 0.000) 1.944 2.589 ( 3.020 -2.762 0.000) 4.093 2.589 ( 3.020 2.762 0.000) 4.093 2.596 ( 0.527 -0.891 0.000) 1.035 2.596 ( 0.527 0.891 0.000) 1.035 2.654 ( 1.550 -0.081 0.000) 1.552 2.654 ( 1.550 0.081 0.000) 1.552 2.710 ( 0.916 -0.134 0.000) 0.926 2.710 ( 0.916 0.134 0.000) 0.926 2.829 ( -1.771 -0.011 0.000) 1.771 2.829 ( -1.771 0.011 0.000) 1.771 2.850 ( 0.857 -1.054 0.000) 1.359 2.850 ( 0.857 1.054 0.000) 1.359 2.964 ( -0.504 -0.454 0.000) 0.679 2.964 ( -0.504 0.454 0.000) 0.679 2.976 ( 1.144 -0.019 0.000) 1.144 2.976 ( 1.144 0.019 0.000) 1.144 3.076 ( -1.547 -1.000 0.000) 1.842 3.076 ( -1.547 1.000 0.000) 1.842 4.212 ( 3.968 -0.638 0.000) 4.019 4.212 ( 3.968 0.638 0.000) 4.019 4.257 ( 2.708 -0.637 0.000) 2.782 4.257 ( 2.708 0.637 0.000) 2.782 4.309 ( 3.365 -0.248 0.000) 3.374 4.309 ( 3.365 0.248 0.000) 3.374 4.398 ( -2.014 -2.841 0.000) 3.483 4.398 ( -2.014 2.841 0.000) 3.483 4.415 ( 2.515 -0.003 0.000) 2.515 4.415 ( 2.515 0.003 0.000) 2.515 4.538 ( 4.175 -1.320 0.000) 4.379 4.538 ( 4.175 1.320 0.000) 4.379 4.583 ( -0.783 -0.265 0.000) 0.827 4.583 ( -0.783 0.265 0.000) 0.827 4.642 ( 0.568 -0.165 0.000) 0.591 4.642 ( 0.568 0.165 0.000) 0.591 4.701 ( 0.185 -1.762 0.000) 1.772 4.701 ( 0.185 1.762 0.000) 1.772 4.794 ( -0.814 -4.469 0.000) 4.542 4.794 ( -0.814 4.469 0.000) 4.542 4.920 ( 3.290 -0.566 0.000) 3.339 4.920 ( 3.290 0.566 0.000) 3.339 5.047 ( -0.924 -1.015 0.000) 1.373 5.047 ( -0.924 1.015 0.000) 1.373 5.100 ( 1.403 -0.435 0.000) 1.469 5.100 ( 1.403 0.435 0.000) 1.469 5.286 ( 1.997 -0.960 0.000) 2.216 5.286 ( 1.997 0.960 0.000) 2.216 5.316 ( 1.993 -3.213 0.000) 3.781 5.316 ( 1.993 3.213 0.000) 3.781 5.372 ( 0.965 -0.879 0.000) 1.305 5.372 ( 0.965 0.879 0.000) 1.305 5.452 ( -1.417 -1.704 0.000) 2.216 5.452 ( -1.417 1.704 0.000) 2.216 5.488 ( -3.340 -0.005 0.000) 3.340 5.488 ( -3.340 0.005 0.000) 3.340 5.713 ( -0.146 -0.554 0.000) 0.573 5.713 ( -0.146 0.554 0.000) 0.573 5.752 ( -1.076 -1.233 0.000) 1.637 5.752 ( -1.076 1.233 0.000) 1.637 6.013 ( 1.507 -0.900 0.000) 1.755 6.013 ( 1.507 0.900 0.000) 1.755 6.139 ( -2.422 -0.001 0.000) 2.422 6.139 ( -2.422 0.001 0.000) 2.422 6.291 ( -1.871 -0.732 0.000) 2.009 6.291 ( -1.871 0.732 0.000) 2.009 6.451 ( -1.065 -0.152 0.000) 1.075 6.451 ( -1.065 0.152 0.000) 1.075 6.589 ( 3.155 -0.731 0.000) 3.239 6.589 ( 3.155 0.731 0.000) 3.239 6.625 ( 2.592 -0.090 0.000) 2.593 6.625 ( 2.592 0.090 0.000) 2.593 6.697 ( 0.779 -0.237 0.000) 0.814 6.697 ( 0.779 0.237 0.000) 0.814 6.832 ( 6.731 -0.023 0.000) 6.731 6.832 ( 6.731 0.023 0.000) 6.731 6.874 ( 2.728 -0.133 0.000) 2.731 6.874 ( 2.728 0.133 0.000) 2.731 6.955 ( -0.329 -2.094 0.000) 2.120 6.955 ( -0.329 2.094 0.000) 2.120 7.028 ( -3.515 -1.113 0.000) 3.687 7.028 ( -3.515 1.113 0.000) 3.687 7.074 ( 3.774 -0.444 0.000) 3.800 7.074 ( 3.774 0.444 0.000) 3.800 7.148 ( -2.907 -3.289 0.000) 4.390 7.148 ( -2.907 3.289 0.000) 4.390 7.208 ( 1.708 -1.504 0.000) 2.276 7.208 ( 1.708 1.504 0.000) 2.276 7.270 ( 0.134 -2.291 0.000) 2.295 7.270 ( 0.134 2.291 0.000) 2.295 7.327 ( -5.327 -1.888 0.000) 5.651 7.327 ( -5.327 1.888 0.000) 5.651 7.375 ( 1.855 -0.793 0.000) 2.017 7.375 ( 1.855 0.793 0.000) 2.017 7.447 ( -6.350 -1.368 0.000) 6.495 7.447 ( -6.350 1.368 0.000) 6.495 7.499 ( -4.082 -9.172 0.000) 10.039 7.499 ( -4.082 9.172 0.000) 10.039 7.557 ( 2.108 -1.054 0.000) 2.356 7.557 ( 2.108 1.054 0.000) 2.356 7.728 ( -3.107 -0.318 0.000) 3.123 7.728 ( -3.107 0.318 0.000) 3.123 7.776 ( 0.107 -1.647 0.000) 1.650 7.776 ( 0.107 1.647 0.000) 1.650 8.159 ( -0.806 -0.267 0.000) 0.849 8.159 ( -0.806 0.267 0.000) 0.849 8.214 ( 1.417 -1.214 0.000) 1.866 8.214 ( 1.417 1.214 0.000) 1.866 8.253 ( 0.175 -1.370 0.000) 1.381 8.253 ( 0.175 1.370 0.000) 1.381 8.356 ( -1.283 -1.246 0.000) 1.788 8.356 ( -1.283 1.246 0.000) 1.788 8.398 ( -3.979 -0.426 0.000) 4.002 8.398 ( -3.979 0.426 0.000) 4.002 8.746 ( -7.292 -7.184 0.000) 10.236 8.746 ( -7.292 7.184 0.000) 10.236 13.422 ( 2.606 -0.123 0.000) 2.609 13.422 ( 2.606 0.123 0.000) 2.609 13.452 ( 0.906 -0.375 0.000) 0.981 13.452 ( 0.906 0.375 0.000) 0.981 13.576 ( -2.044 -1.106 0.000) 2.325 13.576 ( -2.044 1.106 0.000) 2.325 13.604 ( -2.036 -3.393 0.000) 3.957 13.604 ( -2.036 3.393 0.000) 3.957 13.798 ( 3.193 -0.220 0.000) 3.201 13.798 ( 3.193 0.220 0.000) 3.201 13.807 ( 2.189 -1.112 0.000) 2.455 13.807 ( 2.189 1.112 0.000) 2.455 14.003 ( -6.262 -3.062 0.000) 6.970 14.003 ( -6.262 3.062 0.000) 6.970 14.077 ( -6.573 -1.470 0.000) 6.735 14.077 ( -6.573 1.470 0.000) 6.735 15.447 ( 0.425 -1.706 0.000) 1.758 15.447 ( 0.425 1.706 0.000) 1.758 15.488 ( -0.818 -2.261 0.000) 2.405 15.488 ( -0.818 2.261 0.000) 2.405 15.623 ( -0.468 -0.521 0.000) 0.701 15.623 ( -0.468 0.521 0.000) 0.701 15.746 ( -5.544 -0.243 0.000) 5.549 15.746 ( -5.544 0.243 0.000) 5.549 15.918 ( -1.033 -3.299 0.000) 3.457 15.918 ( -1.033 3.299 0.000) 3.457 15.946 ( -2.610 -0.229 0.000) 2.620 15.946 ( -2.610 0.229 0.000) 2.620 15.990 ( -1.590 -1.267 0.000) 2.033 15.990 ( -1.590 1.267 0.000) 2.033 16.080 ( -3.667 -3.110 0.000) 4.808 16.080 ( -3.667 3.110 0.000) 4.808 16.460 ( 2.718 -0.669 0.000) 2.799 16.460 ( 2.718 0.669 0.000) 2.799 16.498 ( 0.873 -2.253 0.000) 2.416 16.498 ( 0.873 2.253 0.000) 2.416 16.504 ( 2.773 -0.512 0.000) 2.820 16.504 ( 2.773 0.512 0.000) 2.820 16.570 ( 0.669 -0.072 0.000) 0.673 16.570 ( 0.669 0.072 0.000) 0.673 16.779 ( 3.812 -1.846 0.000) 4.236 16.779 ( 3.812 1.846 0.000) 4.236 16.828 ( 3.530 -1.958 0.000) 4.037 16.828 ( 3.530 1.958 0.000) 4.037 16.915 ( 8.126 -2.786 0.000) 8.590 16.915 ( 8.126 2.786 0.000) 8.590 17.165 ( -3.174 -0.766 0.000) 3.265 17.165 ( -3.174 0.766 0.000) 3.265 ======================= Grid point 20 (12/36) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.000 -0.000 0.000) 0.000 0.969 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 -0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.027 ( -0.000 -0.000 0.000) 0.000 1.027 ( 0.000 -0.000 0.000) 0.000 1.037 ( -0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.454 ( -0.000 -0.000 0.000) 0.000 1.454 ( 0.000 -0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.570 ( -0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.834 ( -0.000 0.000 0.000) 0.000 1.834 ( -0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 -0.000 0.000) 0.000 2.131 ( 0.000 -0.000 0.000) 0.000 2.190 ( 0.000 -0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 -0.000 0.000) 0.000 2.274 ( 0.000 -0.000 0.000) 0.000 2.349 ( 0.000 -0.000 0.000) 0.000 2.349 ( 0.000 -0.000 0.000) 0.000 2.354 ( -0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 -0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 -0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.787 ( -0.000 -0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.335 ( -0.000 -0.000 0.000) 0.000 4.335 ( 0.000 -0.000 0.000) 0.000 4.337 ( -0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.727 ( -0.000 -0.000 0.000) 0.000 4.727 ( 0.000 -0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.988 ( -0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.005 ( -0.000 -0.000 0.000) 0.000 5.005 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.266 ( -0.000 0.000 0.000) 0.000 5.266 ( -0.000 0.000 0.000) 0.000 5.336 ( -0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.404 ( -0.000 0.000 0.000) 0.000 5.404 ( -0.000 0.000 0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 -0.000 0.000) 0.000 6.948 ( 0.000 -0.000 0.000) 0.000 6.953 ( -0.000 0.000 0.000) 0.000 6.953 ( -0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 -0.000 0.000) 0.000 7.210 ( -0.000 0.000 0.000) 0.000 7.210 ( -0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 -0.000 0.000) 0.000 7.273 ( -0.000 0.000 0.000) 0.000 7.273 ( -0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.640 ( -0.000 -0.000 0.000) 0.000 7.640 ( 0.000 -0.000 0.000) 0.000 7.646 ( -0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 -0.000 0.000) 0.000 7.766 ( 0.000 -0.000 0.000) 0.000 8.149 ( 0.000 -0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.259 ( -0.000 -0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.288 ( -0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 -0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 13.462 ( -0.000 0.000 0.000) 0.000 13.462 ( -0.000 0.000 0.000) 0.000 13.463 ( 0.000 -0.000 0.000) 0.000 13.463 ( 0.000 -0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 13.829 ( -0.000 0.000 0.000) 0.000 13.829 ( 0.000 0.000 0.000) 0.000 13.905 ( -0.000 0.000 0.000) 0.000 13.905 ( -0.000 0.000 0.000) 0.000 13.908 ( 0.000 -0.000 0.000) 0.000 13.908 ( 0.000 -0.000 0.000) 0.000 13.965 ( 0.000 -0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 -0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.477 ( 0.000 0.000 0.000) 0.000 15.477 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 15.912 ( -0.000 -0.000 0.000) 0.000 15.912 ( 0.000 -0.000 0.000) 0.000 15.918 ( 0.000 0.000 0.000) 0.000 15.918 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.024 ( -0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 -0.000 0.000) 0.000 16.502 ( 0.000 -0.000 0.000) 0.000 16.530 ( 0.000 -0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.577 ( 0.000 -0.000 0.000) 0.000 16.577 ( 0.000 0.000 0.000) 0.000 16.820 ( 0.000 -0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.052 ( -0.000 0.000 0.000) 0.000 17.052 ( 0.000 -0.000 0.000) 0.000 17.081 ( -0.000 0.000 0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 0.000 0.000 12.770) 12.770 0.365 ( 0.000 0.000 16.038) 16.038 0.480 ( 0.000 0.000 23.062) 23.062 0.778 ( 0.000 0.000 -8.587) 8.587 0.801 ( 0.000 0.000 3.219) 3.219 1.024 ( 0.000 0.000 -12.297) 12.297 1.039 ( 0.000 0.000 -1.659) 1.659 1.039 ( 0.000 0.000 1.852) 1.852 1.066 ( 0.000 0.000 -1.605) 1.605 1.072 ( 0.000 0.000 0.390) 0.390 1.097 ( 0.000 0.000 3.194) 3.194 1.111 ( 0.000 0.000 1.009) 1.009 1.142 ( 0.000 0.000 1.433) 1.433 1.166 ( 0.000 0.000 0.177) 0.177 1.230 ( 0.000 0.000 -0.520) 0.520 1.252 ( 0.000 0.000 0.117) 0.117 1.308 ( 0.000 0.000 -4.836) 4.836 1.318 ( 0.000 0.000 -4.937) 4.937 1.392 ( 0.000 0.000 -0.889) 0.889 1.409 ( 0.000 0.000 -0.411) 0.411 1.525 ( 0.000 0.000 5.490) 5.490 1.536 ( 0.000 0.000 2.240) 2.240 1.547 ( 0.000 0.000 -2.103) 2.103 1.565 ( 0.000 0.000 -1.735) 1.735 1.603 ( 0.000 0.000 1.375) 1.375 1.618 ( 0.000 0.000 3.247) 3.247 1.624 ( 0.000 0.000 -4.772) 4.772 1.666 ( 0.000 0.000 1.106) 1.106 1.728 ( 0.000 0.000 -2.241) 2.241 1.783 ( 0.000 0.000 3.012) 3.012 1.788 ( 0.000 0.000 -2.536) 2.536 1.795 ( 0.000 0.000 -1.838) 1.838 1.884 ( 0.000 0.000 -0.465) 0.465 1.886 ( 0.000 0.000 4.428) 4.428 1.888 ( 0.000 0.000 1.019) 1.019 1.959 ( 0.000 0.000 -3.241) 3.241 1.971 ( 0.000 0.000 -5.754) 5.754 1.999 ( 0.000 0.000 -2.968) 2.968 2.014 ( 0.000 0.000 -1.220) 1.220 2.080 ( 0.000 0.000 0.139) 0.139 2.113 ( 0.000 0.000 0.376) 0.376 2.154 ( 0.000 0.000 3.517) 3.517 2.180 ( 0.000 0.000 -4.611) 4.611 2.273 ( 0.000 0.000 0.981) 0.981 2.281 ( 0.000 0.000 -0.497) 0.497 2.325 ( 0.000 0.000 -0.938) 0.938 2.326 ( 0.000 0.000 0.448) 0.448 2.334 ( 0.000 0.000 3.003) 3.003 2.355 ( 0.000 0.000 -0.899) 0.899 2.365 ( 0.000 0.000 5.417) 5.417 2.385 ( 0.000 0.000 0.093) 0.093 2.442 ( 0.000 0.000 -1.585) 1.585 2.448 ( 0.000 0.000 -0.260) 0.260 2.481 ( 0.000 0.000 -0.209) 0.209 2.563 ( 0.000 0.000 -3.833) 3.833 2.585 ( 0.000 0.000 -3.533) 3.533 2.612 ( 0.000 0.000 0.234) 0.234 2.633 ( 0.000 0.000 2.512) 2.512 2.668 ( 0.000 0.000 -0.170) 0.170 2.674 ( 0.000 0.000 -0.237) 0.237 2.696 ( 0.000 0.000 -3.106) 3.106 2.805 ( 0.000 0.000 2.502) 2.502 2.823 ( 0.000 0.000 2.391) 2.391 2.829 ( 0.000 0.000 2.776) 2.776 2.896 ( 0.000 0.000 -7.601) 7.601 2.935 ( 0.000 0.000 -1.462) 1.462 2.941 ( 0.000 0.000 0.129) 0.129 2.958 ( 0.000 0.000 6.186) 6.186 2.982 ( 0.000 0.000 5.135) 5.135 3.020 ( 0.000 0.000 -3.511) 3.511 3.126 ( 0.000 0.000 0.826) 0.826 3.152 ( 0.000 0.000 -3.297) 3.297 3.987 ( 0.000 0.000 0.326) 0.326 4.077 ( 0.000 0.000 -3.592) 3.592 4.168 ( 0.000 0.000 -0.366) 0.366 4.177 ( 0.000 0.000 -1.195) 1.195 4.249 ( 0.000 0.000 3.123) 3.123 4.260 ( 0.000 0.000 1.559) 1.559 4.295 ( 0.000 0.000 0.939) 0.939 4.346 ( 0.000 0.000 -0.661) 0.661 4.373 ( 0.000 0.000 -2.118) 2.118 4.467 ( 0.000 0.000 0.977) 0.977 4.493 ( 0.000 0.000 3.150) 3.150 4.507 ( 0.000 0.000 -6.738) 6.738 4.553 ( 0.000 0.000 -1.652) 1.652 4.595 ( 0.000 0.000 -1.169) 1.169 4.631 ( 0.000 0.000 2.299) 2.299 4.728 ( 0.000 0.000 1.375) 1.375 4.730 ( 0.000 0.000 1.333) 1.333 4.731 ( 0.000 0.000 5.936) 5.936 4.763 ( 0.000 0.000 -3.112) 3.112 4.801 ( 0.000 0.000 0.788) 0.788 4.806 ( 0.000 0.000 2.630) 2.630 4.806 ( 0.000 0.000 -0.214) 0.214 4.959 ( 0.000 0.000 -3.471) 3.471 5.070 ( 0.000 0.000 -0.836) 0.836 5.135 ( 0.000 0.000 -3.425) 3.425 5.173 ( 0.000 0.000 -0.003) 0.003 5.195 ( 0.000 0.000 -0.896) 0.896 5.201 ( 0.000 0.000 -0.942) 0.942 5.289 ( 0.000 0.000 -0.074) 0.074 5.311 ( 0.000 0.000 4.392) 4.392 5.320 ( 0.000 0.000 -1.132) 1.132 5.421 ( 0.000 0.000 0.106) 0.106 5.471 ( 0.000 0.000 0.024) 0.024 5.483 ( 0.000 0.000 0.541) 0.541 5.517 ( 0.000 0.000 0.837) 0.837 5.536 ( 0.000 0.000 0.167) 0.167 5.549 ( 0.000 0.000 0.656) 0.656 5.578 ( 0.000 0.000 0.819) 0.819 5.771 ( 0.000 0.000 0.922) 0.922 5.788 ( 0.000 0.000 0.249) 0.249 5.901 ( 0.000 0.000 1.599) 1.599 6.118 ( 0.000 0.000 3.295) 3.295 6.194 ( 0.000 0.000 -8.615) 8.615 6.255 ( 0.000 0.000 -1.127) 1.127 6.291 ( 0.000 0.000 -1.278) 1.278 6.312 ( 0.000 0.000 5.664) 5.664 6.329 ( 0.000 0.000 -3.550) 3.550 6.461 ( 0.000 0.000 -1.009) 1.009 6.480 ( 0.000 0.000 1.084) 1.084 6.484 ( 0.000 0.000 0.888) 0.888 6.553 ( 0.000 0.000 -5.985) 5.985 6.561 ( 0.000 0.000 -0.689) 0.689 6.565 ( 0.000 0.000 -2.227) 2.227 6.595 ( 0.000 0.000 -1.553) 1.553 6.628 ( 0.000 0.000 0.352) 0.352 6.774 ( 0.000 0.000 -5.211) 5.211 6.864 ( 0.000 0.000 2.673) 2.673 6.922 ( 0.000 0.000 2.349) 2.349 6.923 ( 0.000 0.000 1.956) 1.956 6.944 ( 0.000 0.000 -2.573) 2.573 7.037 ( 0.000 0.000 0.340) 0.340 7.057 ( 0.000 0.000 0.084) 0.084 7.094 ( 0.000 0.000 -4.846) 4.846 7.118 ( 0.000 0.000 -2.026) 2.026 7.127 ( 0.000 0.000 0.348) 0.348 7.138 ( 0.000 0.000 -3.862) 3.862 7.222 ( 0.000 0.000 5.213) 5.213 7.240 ( 0.000 0.000 -1.168) 1.168 7.281 ( 0.000 0.000 2.583) 2.583 7.331 ( 0.000 0.000 7.487) 7.487 7.333 ( 0.000 0.000 -2.711) 2.711 7.354 ( 0.000 0.000 4.756) 4.756 7.467 ( 0.000 0.000 4.251) 4.251 7.480 ( 0.000 0.000 -3.298) 3.298 7.543 ( 0.000 0.000 6.358) 6.358 7.577 ( 0.000 0.000 -4.232) 4.232 7.585 ( 0.000 0.000 6.770) 6.770 7.682 ( 0.000 0.000 -1.292) 1.292 7.760 ( 0.000 0.000 4.736) 4.736 7.778 ( 0.000 0.000 -0.489) 0.489 7.821 ( 0.000 0.000 -2.647) 2.647 7.841 ( 0.000 0.000 3.431) 3.431 7.909 ( 0.000 0.000 -0.128) 0.128 7.957 ( 0.000 0.000 -1.411) 1.411 7.974 ( 0.000 0.000 -0.754) 0.754 7.984 ( 0.000 0.000 7.921) 7.921 8.048 ( 0.000 0.000 2.312) 2.312 8.224 ( 0.000 0.000 -4.320) 4.320 8.246 ( 0.000 0.000 0.332) 0.332 8.252 ( 0.000 0.000 -3.552) 3.552 8.384 ( 0.000 0.000 -3.739) 3.739 8.455 ( 0.000 0.000 2.913) 2.913 8.485 ( 0.000 0.000 -5.485) 5.485 8.532 ( 0.000 0.000 -0.428) 0.428 8.671 ( 0.000 0.000 6.717) 6.717 9.018 ( 0.000 0.000 -5.841) 5.841 13.326 ( 0.000 0.000 0.257) 0.257 13.399 ( 0.000 0.000 -0.740) 0.740 13.442 ( 0.000 0.000 1.207) 1.207 13.487 ( 0.000 0.000 3.599) 3.599 13.510 ( 0.000 0.000 -1.861) 1.861 13.549 ( 0.000 0.000 3.360) 3.360 13.633 ( 0.000 0.000 -3.994) 3.994 13.762 ( 0.000 0.000 -3.843) 3.843 13.773 ( 0.000 0.000 3.845) 3.845 13.818 ( 0.000 0.000 0.495) 0.495 13.826 ( 0.000 0.000 1.703) 1.703 13.931 ( 0.000 0.000 -3.274) 3.274 13.995 ( 0.000 0.000 5.696) 5.696 14.085 ( 0.000 0.000 1.567) 1.567 14.344 ( 0.000 0.000 -3.107) 3.107 14.358 ( 0.000 0.000 -3.999) 3.999 15.504 ( 0.000 0.000 0.661) 0.661 15.507 ( 0.000 0.000 4.978) 4.978 15.566 ( 0.000 0.000 -0.646) 0.646 15.670 ( 0.000 0.000 -1.452) 1.452 15.670 ( 0.000 0.000 -3.329) 3.329 15.700 ( 0.000 0.000 -3.848) 3.848 15.785 ( 0.000 0.000 3.039) 3.039 15.860 ( 0.000 0.000 -0.772) 0.772 15.878 ( 0.000 0.000 -0.800) 0.800 15.889 ( 0.000 0.000 -0.805) 0.805 16.098 ( 0.000 0.000 1.022) 1.022 16.104 ( 0.000 0.000 0.801) 0.801 16.134 ( 0.000 0.000 1.209) 1.209 16.165 ( 0.000 0.000 -1.419) 1.419 16.183 ( 0.000 0.000 -2.489) 2.489 16.224 ( 0.000 0.000 -2.208) 2.208 16.277 ( 0.000 0.000 1.575) 1.575 16.324 ( 0.000 0.000 -0.557) 0.557 16.367 ( 0.000 0.000 2.621) 2.621 16.384 ( 0.000 0.000 1.041) 1.041 16.384 ( 0.000 0.000 1.321) 1.321 16.483 ( 0.000 0.000 1.455) 1.455 16.515 ( 0.000 0.000 -2.300) 2.300 16.564 ( 0.000 0.000 -0.778) 0.778 16.630 ( 0.000 0.000 0.325) 0.325 16.639 ( 0.000 0.000 -0.054) 0.054 16.704 ( 0.000 0.000 0.456) 0.456 16.756 ( 0.000 0.000 1.203) 1.203 16.769 ( 0.000 0.000 -2.168) 2.168 16.784 ( 0.000 0.000 0.217) 0.217 16.952 ( 0.000 0.000 1.483) 1.483 17.021 ( 0.000 0.000 -0.974) 0.974 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 9.986 0.000 8.093) 12.854 0.465 ( 10.579 0.000 12.277) 16.206 0.753 ( 11.758 0.000 4.278) 12.512 0.841 ( 13.448 0.000 1.332) 13.514 0.845 ( 4.118 0.000 2.404) 4.768 1.024 ( -0.388 0.000 0.561) 0.682 1.037 ( 1.551 0.000 -1.009) 1.850 1.052 ( -0.422 0.000 0.878) 0.974 1.096 ( 3.438 0.000 -4.219) 5.443 1.101 ( 0.468 0.000 3.454) 3.485 1.108 ( 4.082 0.000 -1.894) 4.501 1.150 ( -1.093 0.000 0.015) 1.093 1.185 ( 4.449 0.000 0.109) 4.450 1.235 ( 2.050 0.000 0.665) 2.155 1.258 ( 2.710 0.000 -1.579) 3.137 1.281 ( 6.916 0.000 -0.692) 6.950 1.311 ( 0.015 0.000 -4.023) 4.023 1.368 ( -1.770 0.000 0.222) 1.784 1.406 ( 6.689 0.000 -4.825) 8.248 1.408 ( 0.399 0.000 1.105) 1.175 1.521 ( -2.152 0.000 -4.039) 4.576 1.531 ( -0.376 0.000 1.355) 1.406 1.558 ( 1.084 0.000 0.650) 1.264 1.575 ( -1.011 0.000 2.105) 2.335 1.611 ( 2.640 0.000 2.604) 3.708 1.618 ( 1.281 0.000 -0.523) 1.383 1.641 ( -0.435 0.000 -0.589) 0.733 1.667 ( -0.739 0.000 1.355) 1.543 1.729 ( -2.337 0.000 0.973) 2.531 1.748 ( 1.152 0.000 -0.321) 1.196 1.785 ( -0.795 0.000 -1.536) 1.730 1.817 ( 0.511 0.000 0.455) 0.684 1.923 ( -1.577 0.000 -2.711) 3.136 1.953 ( 5.027 0.000 1.363) 5.208 1.959 ( 3.616 0.000 -5.713) 6.761 1.986 ( 3.795 0.000 -3.073) 4.884 2.015 ( 5.126 0.000 -1.653) 5.386 2.025 ( 7.351 0.000 0.285) 7.357 2.057 ( 3.897 0.000 -0.872) 3.993 2.070 ( -2.140 0.000 -1.489) 2.607 2.107 ( -2.226 0.000 3.695) 4.314 2.132 ( -1.297 0.000 2.548) 2.859 2.137 ( 2.585 0.000 0.230) 2.595 2.244 ( -1.919 0.000 -0.482) 1.978 2.264 ( -1.220 0.000 1.417) 1.870 2.273 ( -2.370 0.000 0.571) 2.438 2.324 ( -0.299 0.000 3.264) 3.277 2.353 ( -0.976 0.000 1.470) 1.765 2.357 ( 0.667 0.000 -1.799) 1.919 2.408 ( 1.113 0.000 0.263) 1.144 2.411 ( 4.608 0.000 -2.667) 5.324 2.432 ( -1.134 0.000 1.712) 2.053 2.445 ( 0.346 0.000 -1.704) 1.739 2.480 ( 0.819 0.000 -0.374) 0.901 2.524 ( -4.053 0.000 -4.349) 5.945 2.586 ( -0.509 0.000 -3.502) 3.539 2.605 ( 0.054 0.000 0.455) 0.459 2.616 ( -1.602 0.000 0.073) 1.604 2.656 ( 1.720 0.000 1.439) 2.243 2.671 ( -2.580 0.000 1.060) 2.789 2.698 ( 0.953 0.000 1.283) 1.598 2.802 ( 1.522 0.000 -0.162) 1.531 2.819 ( -2.924 0.000 1.930) 3.504 2.820 ( 0.327 0.000 0.469) 0.572 2.897 ( -0.729 0.000 0.124) 0.739 2.897 ( -0.013 0.000 -5.718) 5.718 2.964 ( -3.001 0.000 -1.658) 3.429 2.975 ( 0.496 0.000 0.750) 0.899 2.982 ( 3.274 0.000 2.872) 4.355 2.998 ( 1.318 0.000 4.776) 4.954 3.135 ( -0.225 0.000 1.048) 1.072 3.141 ( -0.978 0.000 -2.479) 2.665 4.042 ( 5.258 0.000 0.460) 5.278 4.118 ( 4.080 0.000 -2.730) 4.909 4.201 ( 1.686 0.000 -0.813) 1.871 4.217 ( 3.536 0.000 -0.703) 3.605 4.265 ( 0.600 0.000 1.562) 1.674 4.275 ( 2.435 0.000 2.311) 3.357 4.329 ( 2.638 0.000 -0.852) 2.772 4.375 ( -0.212 0.000 -1.107) 1.127 4.378 ( 3.002 0.000 -0.369) 3.024 4.460 ( -0.731 0.000 -0.204) 0.759 4.487 ( 0.956 0.000 1.335) 1.642 4.531 ( 1.925 0.000 -3.036) 3.595 4.557 ( 0.167 0.000 -1.347) 1.358 4.583 ( -0.869 0.000 -1.125) 1.422 4.640 ( 0.039 0.000 1.268) 1.268 4.678 ( -1.759 0.000 4.902) 5.208 4.714 ( -1.357 0.000 1.315) 1.890 4.744 ( 0.105 0.000 2.013) 2.016 4.785 ( 2.024 0.000 -3.129) 3.727 4.807 ( 0.136 0.000 1.657) 1.663 4.820 ( 1.121 0.000 -1.048) 1.535 4.864 ( 4.442 0.000 0.701) 4.497 4.941 ( -1.318 0.000 -4.011) 4.222 5.065 ( -1.152 0.000 -5.770) 5.884 5.123 ( 0.987 0.000 2.173) 2.386 5.150 ( -0.774 0.000 1.892) 2.044 5.198 ( 1.068 0.000 -1.161) 1.578 5.235 ( 2.011 0.000 -1.228) 2.356 5.302 ( -0.305 0.000 4.841) 4.851 5.325 ( 2.612 0.000 -0.463) 2.652 5.371 ( 4.062 0.000 -1.829) 4.455 5.443 ( -0.340 0.000 1.370) 1.411 5.470 ( -0.117 0.000 1.230) 1.236 5.493 ( 0.758 0.000 -0.133) 0.769 5.526 ( -0.816 0.000 0.869) 1.192 5.530 ( 0.368 0.000 0.253) 0.447 5.557 ( 0.367 0.000 1.546) 1.589 5.563 ( -0.428 0.000 1.194) 1.268 5.793 ( 0.188 0.000 0.253) 0.315 5.842 ( 0.797 0.000 -4.315) 4.388 5.913 ( 1.275 0.000 1.358) 1.862 6.104 ( -0.927 0.000 2.931) 3.074 6.186 ( -0.753 0.000 -7.686) 7.722 6.223 ( -3.093 0.000 0.110) 3.095 6.289 ( -1.664 0.000 2.476) 2.983 6.331 ( -0.092 0.000 -4.430) 4.431 6.338 ( 1.794 0.000 -0.257) 1.813 6.462 ( 0.752 0.000 0.115) 0.761 6.511 ( 2.423 0.000 -0.172) 2.430 6.518 ( 2.434 0.000 -0.127) 2.437 6.569 ( 1.675 0.000 -3.958) 4.297 6.575 ( 1.293 0.000 -0.959) 1.609 6.612 ( 1.395 0.000 -2.100) 2.521 6.623 ( 5.606 0.000 -2.465) 6.124 6.662 ( 3.288 0.000 -1.646) 3.677 6.755 ( -1.271 0.000 -5.382) 5.530 6.874 ( 0.754 0.000 2.797) 2.897 6.918 ( -2.401 0.000 2.521) 3.481 6.927 ( 0.686 0.000 1.404) 1.563 6.946 ( 0.432 0.000 -1.659) 1.714 6.974 ( -1.017 0.000 2.337) 2.549 7.005 ( -3.909 0.000 -1.477) 4.178 7.057 ( -1.121 0.000 -1.058) 1.541 7.096 ( -2.040 0.000 -1.435) 2.495 7.108 ( -1.471 0.000 -1.931) 2.428 7.173 ( 1.203 0.000 -0.780) 1.434 7.215 ( -0.422 0.000 -1.753) 1.803 7.227 ( 0.619 0.000 7.976) 8.000 7.289 ( 2.110 0.000 -0.766) 2.245 7.323 ( -0.226 0.000 7.165) 7.169 7.356 ( -1.793 0.000 4.196) 4.563 7.367 ( -1.330 0.000 0.373) 1.381 7.462 ( -1.417 0.000 -1.872) 2.348 7.505 ( 1.828 0.000 -0.677) 1.950 7.523 ( -0.714 0.000 3.558) 3.629 7.582 ( -0.251 0.000 4.422) 4.429 7.613 ( 1.132 0.000 -0.949) 1.477 7.716 ( -3.409 0.000 3.020) 4.555 7.731 ( 0.671 0.000 -0.860) 1.091 7.756 ( -1.003 0.000 -1.641) 1.923 7.765 ( -2.429 0.000 -0.510) 2.482 7.818 ( -2.901 0.000 4.412) 5.280 7.907 ( 0.051 0.000 -0.923) 0.925 7.934 ( -3.604 0.000 7.625) 8.434 7.960 ( 0.407 0.000 -2.320) 2.356 7.963 ( -0.436 0.000 -0.502) 0.665 8.047 ( 0.001 0.000 1.839) 1.839 8.194 ( -2.482 0.000 -4.301) 4.965 8.231 ( -3.587 0.000 6.459) 7.389 8.266 ( 0.918 0.000 -3.734) 3.845 8.368 ( -1.143 0.000 -2.862) 3.082 8.408 ( -0.032 0.000 -1.784) 1.785 8.451 ( -2.613 0.000 -4.251) 4.990 8.464 ( -6.350 0.000 -0.863) 6.408 8.637 ( -3.293 0.000 6.697) 7.463 8.964 ( -5.120 0.000 -5.422) 7.458 13.346 ( 1.920 0.000 0.164) 1.927 13.409 ( 0.268 0.000 0.160) 0.312 13.427 ( 0.661 0.000 0.232) 0.701 13.484 ( 0.071 0.000 2.089) 2.090 13.517 ( 0.435 0.000 -0.944) 1.040 13.542 ( -0.728 0.000 3.527) 3.602 13.615 ( -1.725 0.000 -3.355) 3.772 13.724 ( -3.639 0.000 -0.524) 3.677 13.798 ( 2.856 0.000 0.341) 2.877 13.804 ( -1.275 0.000 0.271) 1.303 13.841 ( 1.611 0.000 1.173) 1.993 13.903 ( -2.590 0.000 -2.895) 3.884 13.962 ( -3.084 0.000 4.995) 5.870 14.042 ( -4.057 0.000 1.424) 4.300 14.293 ( -4.873 0.000 -2.762) 5.602 14.305 ( -5.002 0.000 -3.582) 6.153 15.496 ( -1.067 0.000 4.129) 4.264 15.506 ( 0.322 0.000 0.172) 0.365 15.546 ( -2.641 0.000 1.882) 3.243 15.620 ( -3.801 0.000 -1.084) 3.953 15.651 ( -2.712 0.000 -1.503) 3.100 15.673 ( -1.235 0.000 -2.648) 2.922 15.742 ( -10.033 0.000 8.972) 13.459 15.770 ( -1.749 0.000 2.450) 3.010 15.832 ( -2.059 0.000 -0.358) 2.089 15.862 ( -0.351 0.000 -0.391) 0.525 15.884 ( -1.602 0.000 -0.387) 1.648 16.020 ( -6.606 0.000 -1.440) 6.761 16.060 ( -4.598 0.000 -1.219) 4.757 16.070 ( -5.844 0.000 -2.270) 6.269 16.206 ( -4.201 0.000 2.877) 5.092 16.225 ( -5.530 0.000 1.855) 5.832 16.341 ( 4.371 0.000 -1.510) 4.624 16.372 ( 4.825 0.000 -2.140) 5.279 16.387 ( 3.350 0.000 1.034) 3.506 16.415 ( 3.037 0.000 0.029) 3.037 16.479 ( 7.954 0.000 3.101) 8.537 16.549 ( 4.097 0.000 1.304) 4.300 16.585 ( 1.971 0.000 -0.188) 1.980 16.606 ( 6.384 0.000 -1.941) 6.673 16.635 ( 0.504 0.000 0.061) 0.508 16.637 ( 0.059 0.000 -0.019) 0.062 16.700 ( 1.064 0.000 1.607) 1.927 16.815 ( 5.493 0.000 1.309) 5.647 16.855 ( 5.699 0.000 -0.274) 5.705 16.967 ( 5.742 0.000 -9.424) 11.035 16.992 ( 3.194 0.000 1.591) 3.568 17.073 ( 4.471 0.000 -3.602) 5.741 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 11.431 0.000 3.391) 11.923 0.716 ( 13.264 0.000 6.116) 14.607 0.890 ( 6.406 0.000 -4.920) 8.078 0.932 ( 2.443 0.000 0.052) 2.443 1.024 ( -1.266 0.000 1.940) 2.316 1.026 ( 0.231 0.000 1.081) 1.105 1.080 ( 1.747 0.000 2.059) 2.700 1.097 ( -1.691 0.000 2.362) 2.905 1.121 ( -0.665 0.000 1.690) 1.816 1.126 ( 4.020 0.000 2.670) 4.826 1.162 ( 1.948 0.000 -2.122) 2.881 1.193 ( 2.561 0.000 -2.041) 3.275 1.242 ( -1.398 0.000 -2.059) 2.489 1.246 ( 1.956 0.000 1.909) 2.734 1.313 ( 1.585 0.000 -3.545) 3.883 1.320 ( -0.133 0.000 -3.728) 3.730 1.359 ( 8.925 0.000 6.445) 11.009 1.435 ( 3.294 0.000 2.803) 4.325 1.457 ( 5.933 0.000 -0.080) 5.934 1.462 ( -2.791 0.000 -2.389) 3.674 1.481 ( -0.161 0.000 -2.148) 2.154 1.537 ( 0.749 0.000 0.005) 0.749 1.554 ( -0.272 0.000 1.290) 1.318 1.572 ( 0.882 0.000 0.229) 0.911 1.618 ( -1.001 0.000 -0.076) 1.003 1.619 ( -1.272 0.000 5.461) 5.607 1.638 ( -0.108 0.000 -2.011) 2.014 1.683 ( 4.237 0.000 -3.842) 5.720 1.712 ( -1.094 0.000 -1.591) 1.931 1.725 ( -3.843 0.000 -0.408) 3.865 1.793 ( -2.239 0.000 0.913) 2.418 1.807 ( 1.473 0.000 -1.313) 1.973 1.862 ( -2.096 0.000 -2.214) 3.049 2.002 ( -2.393 0.000 3.507) 4.245 2.023 ( 4.046 0.000 -9.165) 10.019 2.047 ( -3.781 0.000 1.229) 3.976 2.054 ( 1.981 0.000 1.578) 2.532 2.076 ( 2.730 0.000 -1.887) 3.319 2.103 ( 3.886 0.000 -1.420) 4.137 2.124 ( 1.970 0.000 1.765) 2.645 2.135 ( 3.767 0.000 0.835) 3.859 2.216 ( 0.966 0.000 0.305) 1.013 2.222 ( 3.623 0.000 2.023) 4.149 2.232 ( -0.053 0.000 1.649) 1.650 2.269 ( 5.009 0.000 1.941) 5.372 2.283 ( 4.372 0.000 -0.887) 4.461 2.317 ( 1.191 0.000 -0.221) 1.212 2.360 ( 1.734 0.000 0.809) 1.914 2.391 ( 1.682 0.000 -3.804) 4.159 2.397 ( -2.147 0.000 -0.422) 2.188 2.403 ( -1.814 0.000 1.527) 2.371 2.444 ( -0.467 0.000 -4.796) 4.819 2.454 ( 2.794 0.000 2.652) 3.852 2.463 ( -0.667 0.000 -0.825) 1.061 2.536 ( -4.721 0.000 -0.306) 4.731 2.545 ( 2.667 0.000 -5.541) 6.150 2.601 ( -1.732 0.000 3.372) 3.791 2.605 ( 0.796 0.000 -3.444) 3.534 2.660 ( -0.894 0.000 1.470) 1.720 2.670 ( 2.653 0.000 -1.303) 2.956 2.738 ( 2.341 0.000 2.093) 3.140 2.796 ( 0.666 0.000 1.535) 1.673 2.799 ( -2.451 0.000 -3.247) 4.068 2.827 ( -1.105 0.000 -0.458) 1.196 2.875 ( -0.403 0.000 0.329) 0.520 2.885 ( 1.172 0.000 -0.514) 1.280 2.950 ( 1.123 0.000 -4.039) 4.192 2.957 ( -1.856 0.000 -1.579) 2.436 3.029 ( 1.641 0.000 3.132) 3.536 3.060 ( 3.143 0.000 2.283) 3.884 3.110 ( -2.164 0.000 2.404) 3.234 3.117 ( -1.226 0.000 -0.766) 1.446 4.176 ( 7.134 0.000 0.558) 7.155 4.224 ( 5.705 0.000 -1.506) 5.901 4.227 ( 1.164 0.000 0.535) 1.282 4.274 ( -0.157 0.000 1.669) 1.677 4.294 ( 3.740 0.000 -0.007) 3.740 4.331 ( 2.698 0.000 0.268) 2.711 4.353 ( -1.831 0.000 1.332) 2.265 4.382 ( 1.993 0.000 -2.648) 3.314 4.448 ( 3.401 0.000 -0.095) 3.403 4.455 ( 1.106 0.000 -0.027) 1.106 4.541 ( 1.946 0.000 -0.799) 2.103 4.547 ( -1.048 0.000 -0.964) 1.424 4.571 ( 2.414 0.000 -1.093) 2.649 4.580 ( 0.706 0.000 -0.171) 0.726 4.618 ( -0.484 0.000 1.493) 1.569 4.679 ( -2.183 0.000 1.200) 2.491 4.686 ( 1.084 0.000 2.580) 2.799 4.740 ( -1.203 0.000 3.091) 3.317 4.803 ( 0.601 0.000 0.305) 0.674 4.832 ( 2.701 0.000 -4.437) 5.194 4.854 ( 2.469 0.000 -2.475) 3.495 4.927 ( -0.647 0.000 -5.280) 5.319 4.927 ( 0.148 0.000 -1.175) 1.185 5.024 ( -3.294 0.000 -4.425) 5.517 5.132 ( 3.116 0.000 2.602) 4.060 5.211 ( 4.643 0.000 5.031) 6.846 5.244 ( 3.036 0.000 -0.212) 3.044 5.275 ( 4.707 0.000 0.907) 4.793 5.331 ( 2.437 0.000 2.488) 3.483 5.357 ( -0.472 0.000 1.079) 1.178 5.415 ( -1.764 0.000 0.806) 1.939 5.433 ( 0.623 0.000 -0.942) 1.130 5.459 ( -0.874 0.000 1.014) 1.338 5.494 ( -1.276 0.000 1.481) 1.955 5.502 ( -2.266 0.000 -0.078) 2.267 5.517 ( 0.912 0.000 -0.245) 0.944 5.557 ( -0.635 0.000 1.085) 1.258 5.586 ( 1.847 0.000 -0.343) 1.879 5.746 ( -8.969 0.000 -1.523) 9.097 5.770 ( -3.226 0.000 -0.727) 3.307 5.956 ( 3.077 0.000 0.929) 3.214 6.099 ( 0.675 0.000 1.892) 2.009 6.137 ( -5.149 0.000 0.492) 5.173 6.167 ( -1.320 0.000 -4.166) 4.370 6.253 ( -1.150 0.000 0.414) 1.222 6.320 ( -2.907 0.000 0.975) 3.066 6.340 ( 1.423 0.000 -3.490) 3.768 6.453 ( -2.197 0.000 0.065) 2.198 6.558 ( 2.497 0.000 -1.922) 3.150 6.572 ( 2.785 0.000 -0.381) 2.811 6.610 ( 1.709 0.000 -1.507) 2.278 6.616 ( 1.517 0.000 -4.337) 4.595 6.647 ( 2.560 0.000 -0.957) 2.733 6.710 ( 0.539 0.000 -1.079) 1.206 6.733 ( 2.509 0.000 -5.945) 6.452 6.758 ( 2.396 0.000 -5.100) 5.635 6.882 ( 2.814 0.000 1.890) 3.389 6.935 ( -1.115 0.000 -0.676) 1.304 6.951 ( -0.679 0.000 -0.280) 0.735 6.961 ( 2.882 0.000 0.668) 2.959 6.967 ( 0.698 0.000 -0.951) 1.180 6.985 ( 4.076 0.000 2.032) 4.554 7.046 ( 0.851 0.000 -1.557) 1.774 7.053 ( 0.156 0.000 0.824) 0.839 7.120 ( 4.319 0.000 1.585) 4.601 7.190 ( 0.926 0.000 1.955) 2.163 7.220 ( -1.743 0.000 7.055) 7.267 7.238 ( 0.269 0.000 2.064) 2.082 7.267 ( -4.576 0.000 1.600) 4.848 7.301 ( -4.454 0.000 2.506) 5.110 7.319 ( -0.324 0.000 5.435) 5.444 7.355 ( 3.159 0.000 0.569) 3.210 7.422 ( -3.119 0.000 -2.497) 3.995 7.483 ( -3.420 0.000 6.263) 7.136 7.519 ( -9.031 0.000 -1.835) 9.216 7.525 ( -0.314 0.000 6.062) 6.070 7.542 ( -6.581 0.000 0.957) 6.651 7.597 ( -0.828 0.000 3.701) 3.793 7.687 ( -3.089 0.000 0.316) 3.105 7.703 ( -7.304 0.000 7.898) 10.758 7.794 ( 3.842 0.000 -2.095) 4.376 7.851 ( 5.981 0.000 -1.870) 6.266 7.890 ( -0.966 0.000 2.925) 3.080 7.919 ( 1.048 0.000 -2.484) 2.696 7.963 ( 0.413 0.000 -0.470) 0.626 7.989 ( 2.722 0.000 -1.741) 3.231 8.063 ( 1.955 0.000 -1.117) 2.251 8.122 ( -5.120 0.000 -0.766) 5.177 8.171 ( -0.279 0.000 0.700) 0.753 8.244 ( -3.726 0.000 -4.780) 6.061 8.308 ( -7.828 0.000 -3.113) 8.425 8.334 ( -5.962 0.000 -5.915) 8.399 8.379 ( 2.516 0.000 2.076) 3.262 8.516 ( 6.602 0.000 -2.851) 7.191 8.551 ( -4.910 0.000 6.229) 7.932 8.829 ( -7.912 0.000 -4.470) 9.087 13.399 ( 3.203 0.000 -0.083) 3.204 13.427 ( 1.896 0.000 0.168) 1.904 13.464 ( 2.348 0.000 -0.363) 2.376 13.496 ( 0.686 0.000 2.093) 2.203 13.518 ( 0.003 0.000 -2.036) 2.036 13.519 ( -1.643 0.000 2.755) 3.208 13.569 ( -2.640 0.000 -1.740) 3.162 13.643 ( -4.099 0.000 0.290) 4.109 13.782 ( -0.368 0.000 0.501) 0.622 13.848 ( -1.667 0.000 -2.277) 2.822 13.867 ( -2.545 0.000 2.712) 3.719 13.883 ( 5.327 0.000 -0.353) 5.338 13.918 ( 2.777 0.000 0.316) 2.795 13.943 ( -5.229 0.000 0.910) 5.307 14.165 ( -7.451 0.000 -2.033) 7.723 14.175 ( -7.436 0.000 -2.775) 7.937 15.470 ( -1.285 0.000 2.892) 3.165 15.481 ( -2.400 0.000 4.190) 4.829 15.518 ( 0.871 0.000 -0.963) 1.299 15.581 ( -0.519 0.000 0.539) 0.748 15.590 ( -2.681 0.000 -1.388) 3.019 15.633 ( -3.144 0.000 3.696) 4.852 15.659 ( 0.067 0.000 -1.514) 1.515 15.733 ( -1.816 0.000 1.339) 2.256 15.814 ( -0.227 0.000 0.220) 0.316 15.856 ( -0.392 0.000 -0.725) 0.824 15.860 ( -0.727 0.000 -0.941) 1.190 15.891 ( -5.554 0.000 -2.013) 5.907 15.996 ( -1.408 0.000 -0.851) 1.645 16.005 ( -0.665 0.000 -0.797) 1.038 16.091 ( -5.601 0.000 1.600) 5.825 16.116 ( -5.088 0.000 -0.119) 5.090 16.415 ( 2.536 0.000 -0.325) 2.556 16.436 ( 1.349 0.000 0.421) 1.413 16.443 ( 2.313 0.000 -0.900) 2.482 16.459 ( 1.335 0.000 -0.295) 1.367 16.596 ( 1.808 0.000 1.209) 2.175 16.605 ( 0.902 0.000 0.185) 0.921 16.612 ( 1.638 0.000 1.703) 2.363 16.632 ( -0.312 0.000 0.049) 0.316 16.675 ( 5.059 0.000 0.338) 5.070 16.750 ( 2.561 0.000 2.933) 3.894 16.778 ( 8.688 0.000 -2.457) 9.029 16.933 ( 4.828 0.000 1.085) 4.949 16.972 ( 5.308 0.000 -0.079) 5.309 17.017 ( 0.916 0.000 -5.119) 5.200 17.048 ( 1.784 0.000 1.118) 2.105 17.106 ( -1.079 0.000 -2.284) 2.526 ======================= Grid point 38 (16/36) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -8.776 0.000 0.715) 8.805 0.846 ( 8.776 0.000 0.715) 8.805 0.961 ( -9.772 0.000 2.366) 10.054 0.961 ( 9.772 0.000 2.366) 10.054 1.004 ( -3.238 0.000 -1.059) 3.407 1.004 ( 3.238 0.000 -1.059) 3.407 1.063 ( -2.880 0.000 1.106) 3.085 1.063 ( 2.880 0.000 1.106) 3.085 1.152 ( -1.770 0.000 -0.692) 1.901 1.152 ( 1.770 0.000 -0.692) 1.901 1.152 ( -2.612 0.000 3.076) 4.035 1.152 ( 2.612 0.000 3.076) 4.035 1.292 ( -2.647 0.000 0.219) 2.656 1.292 ( 2.647 0.000 0.219) 2.656 1.295 ( -2.757 0.000 -1.383) 3.085 1.295 ( 2.757 0.000 -1.383) 3.085 1.450 ( -1.439 0.000 -1.068) 1.792 1.450 ( 1.439 0.000 -1.068) 1.792 1.468 ( -2.860 0.000 -1.203) 3.103 1.468 ( 2.860 0.000 -1.203) 3.103 1.533 ( -1.896 0.000 0.152) 1.902 1.533 ( 1.896 0.000 0.152) 1.902 1.601 ( -1.427 0.000 2.599) 2.965 1.601 ( 1.427 0.000 2.599) 2.965 1.609 ( -4.050 0.000 1.740) 4.408 1.609 ( 4.050 0.000 1.740) 4.408 1.655 ( -2.252 0.000 -3.867) 4.475 1.655 ( 2.252 0.000 -3.867) 4.475 1.715 ( -6.120 0.000 2.174) 6.494 1.715 ( 6.120 0.000 2.174) 6.494 1.782 ( -3.552 0.000 -3.565) 5.033 1.782 ( 3.552 0.000 -3.565) 5.033 1.882 ( -5.196 0.000 0.713) 5.245 1.882 ( 5.196 0.000 0.713) 5.245 2.046 ( -1.630 0.000 1.719) 2.369 2.046 ( 1.630 0.000 1.719) 2.369 2.091 ( -1.417 0.000 -3.842) 4.095 2.091 ( 1.417 0.000 -3.842) 4.095 2.158 ( -1.337 0.000 -1.332) 1.887 2.158 ( 1.337 0.000 -1.332) 1.887 2.195 ( -3.658 0.000 1.197) 3.849 2.195 ( 3.658 0.000 1.197) 3.849 2.240 ( -2.362 0.000 2.754) 3.628 2.240 ( 2.362 0.000 2.754) 3.628 2.339 ( -1.033 0.000 1.161) 1.554 2.339 ( 1.033 0.000 1.161) 1.554 2.350 ( -3.841 0.000 1.609) 4.165 2.350 ( 3.841 0.000 1.609) 4.165 2.390 ( -1.303 0.000 0.676) 1.468 2.390 ( 1.303 0.000 0.676) 1.468 2.400 ( -2.310 0.000 -5.932) 6.366 2.400 ( 2.310 0.000 -5.932) 6.366 2.485 ( -1.996 0.000 -1.827) 2.706 2.485 ( 1.996 0.000 -1.827) 2.706 2.537 ( -3.971 0.000 1.675) 4.309 2.537 ( 3.971 0.000 1.675) 4.309 2.629 ( -5.775 0.000 -4.903) 7.576 2.629 ( 5.775 0.000 -4.903) 7.576 2.634 ( -1.660 0.000 -0.278) 1.684 2.634 ( 1.660 0.000 -0.278) 1.684 2.780 ( -1.950 0.000 2.367) 3.066 2.780 ( 1.950 0.000 2.367) 3.066 2.789 ( -1.921 0.000 0.229) 1.934 2.789 ( 1.921 0.000 0.229) 1.935 2.910 ( -2.761 0.000 -1.206) 3.013 2.910 ( 2.761 0.000 -1.206) 3.013 2.945 ( -2.492 0.000 -2.593) 3.596 2.945 ( 2.492 0.000 -2.593) 3.596 3.062 ( -2.051 0.000 2.546) 3.269 3.062 ( 2.051 0.000 2.546) 3.269 3.097 ( -0.956 0.000 0.791) 1.241 3.097 ( 0.956 0.000 0.791) 1.241 4.251 ( -1.235 0.000 1.213) 1.731 4.251 ( 1.235 0.000 1.213) 1.731 4.298 ( -3.934 0.000 1.496) 4.209 4.298 ( 3.934 0.000 1.496) 4.209 4.313 ( -2.465 0.000 -0.203) 2.474 4.313 ( 2.465 0.000 -0.203) 2.474 4.381 ( -2.000 0.000 -2.339) 3.078 4.381 ( 2.000 0.000 -2.339) 3.078 4.511 ( -2.742 0.000 -0.824) 2.863 4.511 ( 2.742 0.000 -0.824) 2.863 4.513 ( -3.669 0.000 -0.381) 3.689 4.513 ( 3.669 0.000 -0.381) 3.689 4.612 ( -1.490 0.000 0.719) 1.654 4.612 ( 1.490 0.000 0.719) 1.654 4.620 ( -3.231 0.000 1.420) 3.529 4.620 ( 3.231 0.000 1.420) 3.529 4.709 ( -1.115 0.000 2.410) 2.655 4.709 ( 1.115 0.000 2.410) 2.655 4.863 ( -4.807 0.000 -1.044) 4.919 4.863 ( 4.807 0.000 -1.044) 4.919 4.892 ( -2.019 0.000 -6.224) 6.543 4.892 ( 2.019 0.000 -6.224) 6.543 4.932 ( -4.965 0.000 -3.247) 5.933 4.932 ( 4.965 0.000 -3.247) 5.933 5.255 ( -5.233 0.000 4.263) 6.750 5.255 ( 5.233 0.000 4.263) 6.750 5.333 ( -3.890 0.000 2.544) 4.648 5.333 ( 3.890 0.000 2.544) 4.648 5.341 ( -3.993 0.000 3.933) 5.604 5.341 ( 3.993 0.000 3.933) 5.604 5.398 ( -5.171 0.000 -0.278) 5.179 5.398 ( 5.171 0.000 -0.278) 5.179 5.440 ( -2.723 0.000 0.195) 2.730 5.440 ( 2.723 0.000 0.195) 2.730 5.510 ( -2.377 0.000 -0.451) 2.419 5.510 ( 2.377 0.000 -0.451) 2.419 5.581 ( -5.176 0.000 -0.638) 5.216 5.581 ( 5.176 0.000 -0.638) 5.216 5.667 ( -5.951 0.000 -2.379) 6.409 5.667 ( 5.951 0.000 -2.379) 6.409 6.035 ( -4.710 0.000 0.580) 4.745 6.035 ( 4.710 0.000 0.580) 4.745 6.130 ( -2.092 0.000 -0.288) 2.112 6.130 ( 2.092 0.000 -0.288) 2.112 6.263 ( -2.056 0.000 -0.042) 2.057 6.263 ( 2.056 0.000 -0.042) 2.057 6.391 ( -3.382 0.000 -1.533) 3.714 6.391 ( 3.382 0.000 -1.533) 3.714 6.607 ( -1.948 0.000 -3.322) 3.851 6.607 ( 1.948 0.000 -3.322) 3.851 6.617 ( -1.242 0.000 -1.193) 1.722 6.617 ( 1.242 0.000 -1.193) 1.722 6.697 ( -1.665 0.000 -1.045) 1.966 6.697 ( 1.665 0.000 -1.045) 1.966 6.768 ( -1.377 0.000 -6.381) 6.528 6.768 ( 1.377 0.000 -6.381) 6.528 6.924 ( -2.110 0.000 -0.081) 2.111 6.924 ( 2.110 0.000 -0.081) 2.111 6.938 ( -1.473 0.000 -0.394) 1.525 6.938 ( 1.473 0.000 -0.394) 1.525 7.045 ( -5.423 0.000 2.112) 5.820 7.045 ( 5.423 0.000 2.112) 5.820 7.094 ( -6.483 0.000 1.206) 6.594 7.094 ( 6.483 0.000 1.206) 6.594 7.191 ( -3.538 0.000 2.312) 4.226 7.191 ( 3.538 0.000 2.312) 4.226 7.206 ( -4.696 0.000 3.095) 5.624 7.206 ( 4.696 0.000 3.095) 5.624 7.271 ( -8.844 0.000 1.699) 9.005 7.271 ( 8.844 0.000 1.699) 9.005 7.311 ( -6.692 0.000 1.752) 6.918 7.311 ( 6.692 0.000 1.752) 6.918 7.366 ( -5.079 0.000 1.796) 5.387 7.366 ( 5.079 0.000 1.796) 5.387 7.441 ( -1.905 0.000 7.152) 7.402 7.441 ( 1.905 0.000 7.152) 7.402 7.585 ( -4.285 0.000 7.343) 8.502 7.585 ( 4.285 0.000 7.343) 8.502 7.623 ( -2.784 0.000 -0.720) 2.876 7.623 ( 2.784 0.000 -0.720) 2.876 7.861 ( -2.386 0.000 -0.310) 2.406 7.861 ( 2.386 0.000 -0.310) 2.406 7.930 ( -0.709 0.000 -2.495) 2.594 7.930 ( 0.709 0.000 -2.495) 2.594 8.011 ( -5.230 0.000 -0.235) 5.235 8.011 ( 5.230 0.000 -0.235) 5.235 8.071 ( -4.036 0.000 -1.949) 4.482 8.071 ( 4.036 0.000 -1.949) 4.482 8.193 ( -2.624 0.000 -4.109) 4.875 8.193 ( 2.624 0.000 -4.109) 4.875 8.220 ( -4.712 0.000 -4.308) 6.384 8.220 ( 4.712 0.000 -4.308) 6.384 8.454 ( -4.534 0.000 4.532) 6.411 8.454 ( 4.534 0.000 4.532) 6.411 8.665 ( -8.089 0.000 -3.554) 8.835 8.665 ( 8.089 0.000 -3.554) 8.835 13.464 ( -2.980 0.000 -0.036) 2.981 13.464 ( 2.980 0.000 -0.036) 2.981 13.474 ( -2.428 0.000 0.690) 2.524 13.474 ( 2.428 0.000 0.690) 2.524 13.516 ( -2.566 0.000 -0.079) 2.567 13.516 ( 2.566 0.000 -0.079) 2.567 13.564 ( -3.669 0.000 -0.125) 3.672 13.564 ( 3.669 0.000 -0.125) 3.672 13.802 ( -2.443 0.000 1.643) 2.944 13.802 ( 2.443 0.000 1.643) 2.944 13.857 ( -2.733 0.000 -0.400) 2.762 13.857 ( 2.733 0.000 -0.400) 2.762 14.013 ( -7.318 0.000 -1.239) 7.422 14.013 ( 7.318 0.000 -1.239) 7.422 14.027 ( -6.897 0.000 -1.796) 7.127 14.027 ( 6.897 0.000 -1.796) 7.127 15.457 ( -0.189 0.000 2.906) 2.912 15.457 ( 0.189 0.000 2.906) 2.912 15.545 ( -1.862 0.000 -1.694) 2.517 15.545 ( 1.862 0.000 -1.694) 2.517 15.589 ( -1.305 0.000 2.102) 2.474 15.589 ( 1.305 0.000 2.102) 2.474 15.688 ( -2.455 0.000 -0.129) 2.458 15.688 ( 2.455 0.000 -0.129) 2.458 15.823 ( -1.426 0.000 -0.291) 1.455 15.823 ( 1.426 0.000 -0.291) 1.455 15.852 ( -0.123 0.000 -0.865) 0.874 15.852 ( 0.123 0.000 -0.865) 0.874 16.008 ( -2.486 0.000 0.279) 2.501 16.008 ( 2.486 0.000 0.279) 2.501 16.031 ( -3.070 0.000 -0.763) 3.163 16.031 ( 3.070 0.000 -0.763) 3.163 16.444 ( -0.470 0.000 0.173) 0.501 16.444 ( 0.470 0.000 0.173) 0.501 16.469 ( -0.331 0.000 -0.531) 0.625 16.469 ( 0.331 0.000 -0.531) 0.625 16.616 ( -0.471 0.000 0.740) 0.877 16.616 ( 0.471 0.000 0.740) 0.877 16.622 ( -0.724 0.000 0.105) 0.731 16.622 ( 0.724 0.000 0.105) 0.731 16.759 ( -2.048 0.000 2.249) 3.042 16.759 ( 2.048 0.000 2.249) 3.042 16.925 ( -5.251 0.000 -2.837) 5.968 16.925 ( 5.251 0.000 -2.837) 5.968 17.048 ( -1.948 0.000 0.442) 1.997 17.048 ( 1.948 0.000 0.442) 1.997 17.061 ( -3.059 0.000 -0.495) 3.098 17.061 ( 3.059 0.000 -0.495) 3.098 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 9.336 10.735) 14.227 0.463 ( 0.000 9.280 12.246) 15.366 0.735 ( 0.000 19.143 11.320) 22.240 0.752 ( 0.000 -5.837 4.389) 7.303 0.826 ( 0.000 4.602 -5.351) 7.058 0.910 ( 0.000 -10.503 4.493) 11.424 0.960 ( 0.000 -3.307 -0.869) 3.420 1.030 ( 0.000 -1.193 -1.033) 1.578 1.043 ( 0.000 1.407 -9.939) 10.038 1.063 ( 0.000 1.369 1.845) 2.297 1.145 ( 0.000 -2.195 -2.326) 3.198 1.146 ( 0.000 -0.176 -2.944) 2.949 1.177 ( 0.000 4.232 2.841) 5.097 1.205 ( 0.000 4.564 -1.923) 4.952 1.276 ( 0.000 4.236 -0.027) 4.236 1.298 ( 0.000 -0.436 -5.765) 5.781 1.317 ( 0.000 0.663 -4.233) 4.285 1.340 ( 0.000 6.367 -0.759) 6.412 1.387 ( 0.000 0.448 1.112) 1.199 1.402 ( 0.000 -0.471 -1.957) 2.013 1.522 ( 0.000 -1.327 1.496) 1.999 1.530 ( 0.000 0.698 4.800) 4.850 1.570 ( 0.000 0.456 2.938) 2.973 1.572 ( 0.000 1.446 -1.217) 1.890 1.589 ( 0.000 -3.489 1.747) 3.902 1.626 ( 0.000 2.253 -0.635) 2.341 1.653 ( 0.000 -3.155 -0.397) 3.179 1.675 ( 0.000 -3.085 1.956) 3.653 1.688 ( 0.000 4.215 -2.364) 4.833 1.749 ( 0.000 -2.492 2.367) 3.437 1.775 ( 0.000 -2.994 -1.046) 3.171 1.799 ( 0.000 -0.157 -2.473) 2.478 1.890 ( 0.000 -0.914 2.493) 2.655 1.914 ( 0.000 1.951 1.347) 2.371 1.937 ( 0.000 3.205 2.847) 4.287 1.952 ( 0.000 -0.213 -1.715) 1.728 1.965 ( 0.000 0.250 -2.271) 2.284 1.993 ( 0.000 2.250 -2.981) 3.735 2.045 ( 0.000 -0.800 0.314) 0.859 2.080 ( 0.000 4.657 -3.302) 5.709 2.101 ( 0.000 -1.515 1.033) 1.834 2.164 ( 0.000 0.572 -1.674) 1.769 2.181 ( 0.000 -1.235 -4.492) 4.658 2.204 ( 0.000 -4.322 -2.821) 5.161 2.284 ( 0.000 0.437 1.856) 1.907 2.298 ( 0.000 -2.210 -0.161) 2.216 2.319 ( 0.000 0.479 0.322) 0.577 2.349 ( 0.000 1.299 -0.422) 1.366 2.370 ( 0.000 2.050 2.401) 3.157 2.415 ( 0.000 2.101 -0.150) 2.106 2.432 ( 0.000 2.762 -0.388) 2.790 2.440 ( 0.000 -0.170 -1.039) 1.053 2.456 ( 0.000 1.106 -0.436) 1.189 2.473 ( 0.000 -0.666 0.625) 0.913 2.536 ( 0.000 -3.658 -2.884) 4.658 2.541 ( 0.000 -2.991 -4.399) 5.320 2.600 ( 0.000 -0.486 -0.303) 0.573 2.629 ( 0.000 -2.462 -0.571) 2.528 2.644 ( 0.000 -0.035 2.227) 2.228 2.676 ( 0.000 -2.155 -2.474) 3.281 2.683 ( 0.000 0.637 -0.347) 0.725 2.763 ( 0.000 -4.157 2.746) 4.982 2.807 ( 0.000 0.025 2.944) 2.944 2.829 ( 0.000 -0.678 3.734) 3.795 2.876 ( 0.000 -0.721 -6.065) 6.107 2.928 ( 0.000 -1.493 -1.023) 1.809 2.951 ( 0.000 0.587 1.804) 1.897 2.956 ( 0.000 0.380 1.582) 1.627 2.977 ( 0.000 -0.542 5.355) 5.382 2.988 ( 0.000 -2.507 -0.997) 2.698 3.107 ( 0.000 -1.386 0.474) 1.465 3.133 ( 0.000 -1.760 -2.642) 3.174 4.014 ( 0.000 2.645 0.148) 2.649 4.094 ( 0.000 1.815 -3.325) 3.788 4.137 ( 0.000 -2.742 -0.361) 2.766 4.169 ( 0.000 -1.195 -1.475) 1.898 4.252 ( 0.000 0.302 2.830) 2.846 4.259 ( 0.000 -0.014 1.491) 1.491 4.316 ( 0.000 1.905 1.585) 2.478 4.344 ( 0.000 -0.019 -1.233) 1.233 4.368 ( 0.000 -0.723 -1.936) 2.067 4.428 ( 0.000 -3.473 1.265) 3.697 4.499 ( 0.000 1.027 -0.280) 1.065 4.510 ( 0.000 0.314 -5.888) 5.897 4.583 ( 0.000 1.624 -0.884) 1.849 4.604 ( 0.000 1.839 -0.678) 1.960 4.664 ( 0.000 2.810 1.755) 3.313 4.677 ( 0.000 -3.504 0.967) 3.635 4.728 ( 0.000 -2.652 -0.328) 2.672 4.737 ( 0.000 0.638 5.422) 5.459 4.751 ( 0.000 -1.903 2.108) 2.840 4.782 ( 0.000 2.019 -2.175) 2.968 4.788 ( 0.000 -1.517 3.945) 4.227 4.835 ( 0.000 0.565 -0.586) 0.814 4.988 ( 0.000 2.786 -4.329) 5.148 5.072 ( 0.000 0.577 -1.863) 1.950 5.112 ( 0.000 -2.202 -2.380) 3.242 5.153 ( 0.000 -2.037 0.217) 2.048 5.192 ( 0.000 -0.604 -1.270) 1.406 5.193 ( 0.000 -0.279 -1.552) 1.577 5.299 ( 0.000 1.163 0.320) 1.206 5.323 ( 0.000 1.160 4.011) 4.175 5.334 ( 0.000 1.085 -0.675) 1.278 5.383 ( 0.000 -2.892 0.432) 2.924 5.455 ( 0.000 -0.122 1.025) 1.032 5.491 ( 0.000 -1.321 2.410) 2.748 5.492 ( 0.000 -0.521 1.669) 1.749 5.551 ( 0.000 -1.519 1.545) 2.167 5.587 ( 0.000 3.437 -1.262) 3.661 5.628 ( 0.000 3.827 -1.562) 4.134 5.645 ( 0.000 -4.918 2.556) 5.543 5.769 ( 0.000 -3.001 -1.207) 3.234 5.939 ( 0.000 3.782 2.222) 4.387 6.088 ( 0.000 -2.899 3.600) 4.622 6.206 ( 0.000 1.974 -5.347) 5.699 6.281 ( 0.000 2.318 0.125) 2.322 6.307 ( 0.000 -0.854 1.974) 2.151 6.333 ( 0.000 -0.092 0.126) 0.156 6.366 ( 0.000 6.096 -0.573) 6.122 6.467 ( 0.000 0.325 -0.820) 0.882 6.477 ( 0.000 -0.429 0.531) 0.682 6.482 ( 0.000 0.024 0.752) 0.752 6.543 ( 0.000 0.316 -3.480) 3.495 6.561 ( 0.000 -0.061 -1.620) 1.621 6.597 ( 0.000 0.998 -0.182) 1.014 6.612 ( 0.000 -0.397 1.780) 1.824 6.622 ( 0.000 3.896 -4.783) 6.169 6.796 ( 0.000 0.829 -1.753) 1.940 6.844 ( 0.000 -2.184 2.640) 3.426 6.879 ( 0.000 -2.662 2.399) 3.583 6.933 ( 0.000 -0.070 1.577) 1.578 6.943 ( 0.000 -0.073 -2.745) 2.746 7.011 ( 0.000 -2.057 1.283) 2.424 7.055 ( 0.000 -3.832 -0.445) 3.858 7.061 ( 0.000 0.541 -0.674) 0.865 7.123 ( 0.000 -2.514 -4.169) 4.868 7.138 ( 0.000 1.382 -1.543) 2.072 7.185 ( 0.000 6.006 -2.231) 6.407 7.207 ( 0.000 -2.889 2.469) 3.800 7.260 ( 0.000 3.200 3.771) 4.946 7.290 ( 0.000 -0.083 1.370) 1.372 7.300 ( 0.000 2.117 3.673) 4.240 7.366 ( 0.000 1.373 5.338) 5.512 7.369 ( 0.000 -5.575 2.217) 6.000 7.424 ( 0.000 2.241 -0.659) 2.336 7.473 ( 0.000 -0.237 -2.965) 2.974 7.482 ( 0.000 -4.600 5.510) 7.178 7.575 ( 0.000 0.849 -0.486) 0.978 7.620 ( 0.000 2.614 1.541) 3.034 7.643 ( 0.000 -7.710 3.470) 8.455 7.668 ( 0.000 -3.760 -2.496) 4.513 7.749 ( 0.000 -0.891 4.761) 4.844 7.766 ( 0.000 -4.499 -1.046) 4.619 7.810 ( 0.000 -0.304 4.278) 4.289 7.880 ( 0.000 -5.491 -0.712) 5.537 7.959 ( 0.000 -2.571 7.394) 7.828 7.994 ( 0.000 6.581 -1.043) 6.663 8.069 ( 0.000 5.826 -0.883) 5.893 8.139 ( 0.000 7.241 -0.202) 7.244 8.210 ( 0.000 -3.451 -1.937) 3.958 8.220 ( 0.000 3.437 -3.463) 4.879 8.236 ( 0.000 -2.172 -1.247) 2.505 8.355 ( 0.000 -3.123 -3.037) 4.356 8.445 ( 0.000 -4.164 -5.177) 6.644 8.545 ( 0.000 5.624 0.951) 5.704 8.657 ( 0.000 -1.392 5.859) 6.022 8.727 ( 0.000 12.430 -6.811) 14.174 8.990 ( 0.000 -2.995 -6.014) 6.718 13.333 ( 0.000 0.748 0.311) 0.810 13.398 ( 0.000 -2.949 1.401) 3.264 13.406 ( 0.000 0.861 -0.551) 1.022 13.476 ( 0.000 -2.478 -0.750) 2.589 13.528 ( 0.000 4.182 2.875) 5.075 13.586 ( 0.000 2.396 1.586) 2.874 13.634 ( 0.000 -0.005 -2.913) 2.913 13.736 ( 0.000 -3.680 -2.068) 4.221 13.777 ( 0.000 0.475 2.314) 2.362 13.808 ( 0.000 -0.914 0.555) 1.069 13.833 ( 0.000 1.135 2.418) 2.671 13.924 ( 0.000 -2.100 -0.103) 2.102 14.004 ( 0.000 3.403 1.876) 3.886 14.141 ( 0.000 4.763 0.690) 4.812 14.262 ( 0.000 -7.350 -3.357) 8.081 14.329 ( 0.000 -3.429 -3.338) 4.785 15.498 ( 0.000 -0.332 1.773) 1.804 15.501 ( 0.000 -0.399 3.687) 3.709 15.579 ( 0.000 -0.389 -1.727) 1.770 15.588 ( 0.000 -4.910 6.366) 8.039 15.600 ( 0.000 -1.332 0.526) 1.432 15.709 ( 0.000 -4.843 1.344) 5.026 15.807 ( 0.000 6.418 -6.454) 9.102 15.886 ( 0.000 3.028 -2.448) 3.893 15.935 ( 0.000 4.426 -0.757) 4.490 15.959 ( 0.000 6.542 -0.827) 6.594 16.088 ( 0.000 -1.654 1.070) 1.970 16.118 ( 0.000 -1.187 1.310) 1.768 16.131 ( 0.000 0.344 0.386) 0.517 16.159 ( 0.000 -0.973 -1.219) 1.559 16.187 ( 0.000 0.532 -2.130) 2.195 16.210 ( 0.000 -1.196 -2.365) 2.650 16.292 ( 0.000 1.514 1.526) 2.150 16.330 ( 0.000 0.470 0.123) 0.486 16.348 ( 0.000 -1.510 2.295) 2.747 16.372 ( 0.000 -1.138 2.198) 2.475 16.396 ( 0.000 0.738 0.819) 1.102 16.448 ( 0.000 -2.767 2.083) 3.463 16.500 ( 0.000 -2.719 0.281) 2.733 16.505 ( 0.000 -1.020 -2.175) 2.402 16.626 ( 0.000 1.479 1.629) 2.200 16.655 ( 0.000 1.993 0.161) 2.000 16.681 ( 0.000 3.434 2.794) 4.427 16.730 ( 0.000 -2.633 1.209) 2.897 16.760 ( 0.000 -2.376 0.171) 2.382 16.879 ( 0.000 -5.706 2.900) 6.400 17.009 ( 0.000 8.645 -12.147) 14.909 17.060 ( 0.000 2.187 -3.328) 3.982 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 10.183 7.439 7.515) 14.680 0.631 ( 8.228 11.832 6.252) 15.709 0.805 ( 5.052 -4.501 3.467) 7.603 0.839 ( 5.463 6.728 -0.354) 8.674 0.904 ( 12.668 6.601 4.024) 14.841 0.974 ( 2.971 -5.356 2.206) 6.509 0.981 ( 2.026 -3.444 -0.373) 4.013 1.046 ( 2.127 0.454 -0.131) 2.179 1.071 ( 4.373 -3.623 1.666) 5.918 1.113 ( 1.717 1.032 -0.166) 2.010 1.148 ( 1.624 2.721 -3.237) 4.530 1.169 ( 1.313 0.335 -2.942) 3.239 1.189 ( 0.986 4.760 1.962) 5.242 1.233 ( 3.153 1.832 -2.921) 4.672 1.307 ( 0.238 2.906 -1.177) 3.144 1.321 ( 0.101 2.339 -2.881) 3.712 1.344 ( 2.962 -0.528 -1.557) 3.388 1.362 ( 3.373 3.213 -2.708) 5.388 1.400 ( 2.407 0.758 -0.593) 2.592 1.424 ( 2.141 0.790 -2.355) 3.279 1.517 ( -1.486 0.360 0.301) 1.558 1.549 ( 1.096 0.897 1.494) 2.058 1.576 ( 0.158 -1.659 1.268) 2.094 1.586 ( 0.069 0.002 1.018) 1.020 1.601 ( 1.941 -0.258 5.621) 5.952 1.628 ( 1.240 1.099 -1.812) 2.455 1.639 ( -0.475 -0.566 0.542) 0.916 1.696 ( -0.809 0.569 -0.268) 1.025 1.724 ( 1.571 0.977 0.649) 1.961 1.727 ( -0.636 -0.113 1.439) 1.577 1.766 ( -0.897 -1.581 -0.713) 1.952 1.816 ( 1.814 -3.311 -0.638) 3.829 1.900 ( -0.390 -2.298 -1.073) 2.566 1.946 ( 0.266 0.400 -1.690) 1.757 1.967 ( 3.465 -0.191 0.399) 3.493 1.999 ( 3.855 0.937 -1.461) 4.227 2.013 ( 3.716 1.085 -0.275) 3.880 2.047 ( 5.700 0.525 0.544) 5.750 2.059 ( -0.412 -0.065 -1.877) 1.923 2.088 ( 3.497 3.458 0.271) 4.926 2.101 ( 1.022 0.935 -1.160) 1.807 2.132 ( -1.441 1.413 0.089) 2.020 2.162 ( 0.889 0.415 -1.939) 2.173 2.200 ( -0.110 -2.642 -2.776) 3.833 2.255 ( -2.594 -1.261 1.689) 3.342 2.291 ( -0.674 1.209 0.364) 1.432 2.325 ( -0.204 1.290 1.303) 1.845 2.346 ( 0.162 -0.559 -0.338) 0.673 2.356 ( 0.103 -0.993 -0.536) 1.133 2.397 ( -1.324 -0.052 -1.548) 2.038 2.434 ( 0.451 -0.059 0.812) 0.931 2.443 ( -0.583 1.104 1.323) 1.819 2.460 ( -1.286 -1.002 0.615) 1.743 2.470 ( 2.574 1.376 -2.001) 3.538 2.499 ( -2.934 -2.068 -4.456) 5.722 2.552 ( 0.794 -2.889 -2.804) 4.103 2.600 ( -1.029 -1.252 -0.332) 1.654 2.603 ( -1.140 -0.829 0.657) 1.555 2.638 ( 0.431 -0.883 0.454) 1.083 2.671 ( -1.250 -0.706 0.120) 1.441 2.690 ( 1.630 0.121 2.016) 2.596 2.770 ( 0.188 -2.767 1.612) 3.208 2.808 ( 1.768 0.212 0.718) 1.920 2.847 ( -2.256 0.290 -1.475) 2.711 2.876 ( 0.198 -0.556 -0.992) 1.154 2.904 ( -1.965 -0.183 -1.467) 2.459 2.919 ( -0.422 -3.002 -1.306) 3.300 2.954 ( 1.108 -1.514 3.800) 4.238 2.988 ( 0.016 0.217 -1.581) 1.596 3.008 ( 1.940 0.303 4.998) 5.370 3.104 ( -0.616 -2.082 -0.214) 2.182 3.136 ( -0.051 -0.904 -0.831) 1.229 4.064 ( 4.853 2.215 0.289) 5.343 4.130 ( 3.546 1.025 -2.220) 4.307 4.186 ( 3.850 -1.741 -1.165) 4.383 4.201 ( 2.572 -1.208 -1.147) 3.064 4.267 ( 0.783 0.244 1.682) 1.871 4.280 ( 2.692 0.428 2.310) 3.573 4.338 ( 1.958 0.995 0.122) 2.200 4.363 ( 1.876 -0.499 -0.694) 2.062 4.391 ( 1.546 0.465 -1.274) 2.057 4.436 ( 0.716 -2.059 0.470) 2.230 4.474 ( -0.438 -0.561 0.179) 0.735 4.530 ( 1.118 -0.104 -3.673) 3.841 4.583 ( 0.078 1.794 -0.778) 1.957 4.592 ( -0.925 0.775 -0.988) 1.559 4.633 ( -2.796 -2.188 2.028) 4.089 4.670 ( 0.165 0.808 1.783) 1.965 4.706 ( -1.555 -0.964 2.528) 3.121 4.743 ( 0.872 -0.855 1.083) 1.632 4.767 ( 1.180 -0.772 1.400) 1.987 4.803 ( 1.840 1.183 -2.496) 3.319 4.826 ( 1.202 -0.610 1.760) 2.217 4.864 ( 3.022 -0.178 -0.170) 3.033 4.961 ( -1.652 1.796 -4.814) 5.397 5.066 ( -1.400 -0.108 -5.307) 5.490 5.112 ( 1.510 -0.632 2.775) 3.222 5.138 ( -0.984 -0.971 1.239) 1.856 5.209 ( 1.907 0.722 -1.548) 2.560 5.216 ( 2.001 -1.639 -1.101) 2.811 5.309 ( 0.415 0.758 2.005) 2.183 5.334 ( 1.724 0.973 2.286) 3.024 5.391 ( 3.631 0.892 -1.377) 3.985 5.406 ( 1.103 -1.495 0.573) 1.944 5.452 ( -0.866 -1.112 2.610) 2.966 5.477 ( -0.821 -1.380 1.338) 2.090 5.507 ( 0.950 -1.153 2.412) 2.837 5.557 ( -0.807 1.228 -0.136) 1.476 5.596 ( 0.644 3.164 -1.659) 3.630 5.621 ( 0.117 3.890 -1.158) 4.061 5.734 ( 3.946 -5.308 -1.839) 6.865 5.782 ( 0.944 -3.800 -1.547) 4.210 5.949 ( 0.959 3.311 1.910) 3.941 6.083 ( -0.281 -1.988 3.613) 4.134 6.188 ( -1.660 0.857 -4.415) 4.794 6.255 ( -3.014 1.829 1.480) 3.824 6.308 ( -0.384 0.490 2.986) 3.050 6.326 ( -0.038 0.975 -1.688) 1.950 6.349 ( -1.067 1.133 -2.287) 2.767 6.480 ( 1.238 1.224 0.622) 1.849 6.506 ( 2.482 -0.455 -0.268) 2.538 6.525 ( 2.500 1.156 -1.241) 3.021 6.555 ( 1.150 -0.214 -2.532) 2.789 6.595 ( 2.139 -0.227 -0.489) 2.206 6.608 ( 1.599 0.070 -1.228) 2.017 6.641 ( 2.983 2.423 -2.868) 4.796 6.657 ( 3.795 1.306 -1.887) 4.434 6.790 ( -0.359 1.853 -2.924) 3.480 6.861 ( -0.802 -2.292 4.375) 5.004 6.873 ( 1.500 -1.670 1.003) 2.459 6.936 ( -0.085 -0.540 -0.264) 0.607 6.940 ( -1.223 -1.467 2.794) 3.385 6.949 ( 0.377 -0.725 -1.732) 1.915 7.041 ( -1.764 1.951 -2.007) 3.308 7.071 ( 0.365 0.540 -1.324) 1.476 7.117 ( 0.058 1.120 -0.705) 1.324 7.139 ( -1.606 3.108 -0.689) 3.566 7.192 ( 1.546 0.719 -3.789) 4.155 7.205 ( -2.591 2.006 2.883) 4.365 7.249 ( 0.927 -0.906 4.822) 4.993 7.279 ( -1.097 0.620 3.072) 3.320 7.314 ( -0.290 -0.586 2.117) 2.215 7.337 ( -0.147 -1.678 2.679) 3.164 7.393 ( -1.595 -1.545 2.916) 3.665 7.413 ( 0.634 -3.085 -0.111) 3.152 7.452 ( -1.020 -1.111 -0.522) 1.596 7.497 ( 0.659 -2.947 1.315) 3.294 7.558 ( -2.094 -3.266 1.621) 4.205 7.604 ( -2.051 -3.036 1.546) 3.976 7.656 ( 1.671 -2.161 1.457) 3.096 7.675 ( -0.093 -1.037 -0.893) 1.371 7.711 ( -3.198 -1.033 5.936) 6.821 7.772 ( -3.290 -1.002 3.864) 5.173 7.779 ( 0.529 -1.713 -1.429) 2.293 7.856 ( -2.621 -7.783 0.106) 8.213 7.915 ( -2.995 -2.299 5.991) 7.082 7.988 ( -0.267 6.451 -1.887) 6.726 8.061 ( -0.803 6.840 -1.203) 6.991 8.126 ( -0.218 6.024 -0.444) 6.044 8.168 ( -2.634 1.044 -2.124) 3.541 8.239 ( 1.006 -2.457 -3.317) 4.248 8.279 ( 1.925 -0.374 -0.710) 2.085 8.347 ( -0.202 -2.307 -2.467) 3.384 8.408 ( -3.535 -3.369 -4.970) 6.967 8.466 ( -5.980 5.948 1.831) 8.631 8.611 ( -4.702 0.290 4.690) 6.647 8.651 ( -5.334 9.973 -2.735) 11.635 8.933 ( -5.384 -3.402 -5.469) 8.394 13.352 ( 1.847 0.641 0.212) 1.966 13.397 ( 0.443 -1.351 0.904) 1.684 13.423 ( 1.541 0.347 -0.389) 1.627 13.478 ( 0.363 -1.899 -0.660) 2.043 13.531 ( 0.076 3.700 2.527) 4.481 13.576 ( -0.975 2.209 1.131) 2.666 13.614 ( -1.813 -0.194 -2.420) 3.030 13.706 ( -3.098 -2.250 -1.823) 4.241 13.783 ( 2.196 -1.470 2.122) 3.389 13.800 ( -1.106 -0.243 0.726) 1.345 13.830 ( 0.261 -0.340 2.136) 2.178 13.897 ( -2.489 -1.570 -0.236) 2.952 13.973 ( -2.903 3.159 1.860) 4.676 14.093 ( -4.525 4.292 0.609) 6.267 14.215 ( -4.475 -6.844 -2.993) 8.708 14.278 ( -4.844 -3.288 -2.891) 6.530 15.488 ( -0.777 -0.486 2.191) 2.375 15.502 ( -0.382 -0.547 2.935) 3.010 15.536 ( -2.928 -1.252 4.556) 5.558 15.570 ( -1.151 -2.350 -0.734) 2.717 15.611 ( 0.084 -0.919 1.568) 1.819 15.678 ( -2.679 -2.891 1.188) 4.117 15.747 ( -4.838 4.437 -4.957) 8.226 15.839 ( -3.991 2.789 -1.003) 4.971 15.890 ( -3.841 5.308 0.361) 6.562 15.918 ( -1.632 3.605 -1.206) 4.137 15.964 ( -4.421 5.668 1.213) 7.290 16.022 ( -5.922 0.899 -0.140) 5.991 16.045 ( -4.658 -1.599 -1.146) 5.056 16.068 ( -5.547 0.248 -1.901) 5.868 16.169 ( -4.066 -3.100 2.376) 5.638 16.224 ( -6.031 -1.255 1.324) 6.300 16.335 ( 5.584 -0.140 -1.041) 5.682 16.373 ( 5.272 0.491 -0.412) 5.311 16.413 ( 3.031 2.118 -0.452) 3.726 16.422 ( 3.769 0.443 -0.070) 3.796 16.466 ( 6.061 -0.899 2.671) 6.684 16.514 ( 3.449 -2.670 0.781) 4.432 16.562 ( 3.681 -3.352 -1.371) 5.164 16.574 ( 3.196 -2.674 -1.101) 4.310 16.656 ( 3.569 2.638 1.680) 4.745 16.672 ( 2.032 2.842 0.088) 3.495 16.705 ( 3.053 3.102 2.350) 4.946 16.793 ( 5.481 -2.550 1.154) 6.154 16.827 ( 5.870 -2.540 0.170) 6.398 16.905 ( 2.596 -5.036 2.283) 6.108 17.056 ( 2.251 3.575 -7.273) 8.411 17.103 ( 2.960 1.937 -5.747) 6.749 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 11.897 6.231 3.134) 13.790 0.781 ( 8.136 7.590 4.061) 11.845 0.919 ( 4.908 0.349 -1.076) 5.036 0.944 ( 5.126 2.201 -0.728) 5.626 1.005 ( 0.214 -1.680 -0.019) 1.694 1.006 ( 1.104 -2.391 0.944) 2.797 1.090 ( 2.663 0.418 2.981) 4.019 1.096 ( -1.200 -0.534 1.310) 1.855 1.108 ( 4.069 -1.461 -0.834) 4.403 1.160 ( -2.872 2.814 -0.097) 4.022 1.191 ( 0.771 2.849 3.005) 4.212 1.208 ( 2.107 0.817 0.393) 2.294 1.230 ( 2.702 0.233 0.938) 2.870 1.261 ( -1.760 2.794 -1.589) 3.665 1.304 ( 1.407 0.157 -2.693) 3.042 1.352 ( 0.294 2.541 -4.318) 5.019 1.393 ( 5.816 3.248 2.412) 7.085 1.433 ( 1.510 -0.756 -0.168) 1.697 1.447 ( 4.009 0.607 1.965) 4.506 1.464 ( 0.246 -0.837 -3.065) 3.187 1.500 ( 0.481 -0.113 -3.561) 3.595 1.554 ( 0.806 2.612 2.505) 3.708 1.587 ( 1.893 3.231 2.238) 4.362 1.598 ( 0.420 0.384 0.768) 0.956 1.602 ( -0.637 0.666 0.662) 1.134 1.640 ( -0.247 0.211 1.408) 1.445 1.655 ( -1.263 0.934 1.050) 1.889 1.683 ( 4.122 -0.155 -1.661) 4.447 1.691 ( -2.417 -0.027 0.545) 2.478 1.736 ( -1.117 0.260 -1.065) 1.565 1.789 ( 0.639 0.543 -0.603) 1.033 1.828 ( -0.419 -0.406 -1.568) 1.673 1.860 ( -1.596 0.436 -2.944) 3.377 1.979 ( 0.613 -2.521 -1.660) 3.080 2.005 ( 1.907 0.101 1.638) 2.516 2.027 ( -0.223 -6.079 1.725) 6.323 2.047 ( 0.245 0.703 0.654) 0.991 2.094 ( -1.342 1.763 -2.623) 3.434 2.098 ( 3.092 1.066 -1.559) 3.623 2.122 ( 2.361 0.179 -0.916) 2.539 2.162 ( 3.437 2.197 0.244) 4.087 2.192 ( 1.917 -1.101 0.558) 2.280 2.216 ( 0.142 -0.244 0.653) 0.712 2.244 ( 2.166 1.049 0.245) 2.419 2.255 ( 4.155 -1.182 0.990) 4.432 2.297 ( 3.737 0.638 -1.080) 3.942 2.327 ( 1.399 0.569 0.777) 1.699 2.353 ( 0.368 -1.221 1.066) 1.662 2.364 ( 0.626 -1.701 -3.050) 3.548 2.392 ( -1.328 -0.044 0.949) 1.633 2.400 ( -0.966 -0.419 -0.216) 1.075 2.437 ( 0.737 -1.311 -0.674) 1.648 2.459 ( -0.546 0.203 -2.564) 2.629 2.468 ( 2.018 0.481 -0.522) 2.139 2.519 ( -4.240 -1.244 0.603) 4.460 2.542 ( 2.225 -0.569 -4.877) 5.391 2.595 ( 1.539 -0.327 0.077) 1.575 2.599 ( -0.509 -0.672 -0.825) 1.180 2.648 ( -0.157 -1.115 0.714) 1.333 2.661 ( 1.454 -0.585 -0.865) 1.790 2.738 ( 2.480 0.355 1.814) 3.093 2.774 ( 0.700 -1.562 1.214) 2.099 2.803 ( -2.476 0.009 -2.784) 3.726 2.833 ( -0.529 -0.009 0.361) 0.641 2.861 ( -0.341 -1.271 0.167) 1.327 2.874 ( 0.832 -0.949 -0.206) 1.279 2.920 ( 0.452 -2.170 -3.419) 4.075 2.950 ( -1.850 -0.485 -1.411) 2.377 3.021 ( 2.110 -0.627 2.406) 3.261 3.053 ( 2.149 -0.820 2.893) 3.696 3.084 ( -1.312 -1.633 1.186) 2.407 3.119 ( -1.563 -0.439 0.501) 1.699 4.188 ( 6.522 1.070 0.379) 6.620 4.212 ( 3.190 -0.133 -0.484) 3.229 4.251 ( 3.870 1.101 -0.662) 4.078 4.272 ( 1.552 -0.620 0.982) 1.939 4.284 ( 2.690 -0.563 0.007) 2.749 4.342 ( 2.531 0.933 1.222) 2.961 4.370 ( -1.650 1.758 1.025) 2.620 4.381 ( 1.458 -0.160 -2.278) 2.709 4.431 ( 3.256 -0.525 0.332) 3.315 4.456 ( 1.352 -1.190 0.626) 1.906 4.515 ( 2.368 -1.137 -0.854) 2.762 4.557 ( 1.591 -1.124 -0.750) 2.087 4.565 ( -0.485 1.354 -2.155) 2.591 4.591 ( 0.306 -0.918 0.428) 1.058 4.609 ( 0.863 -0.179 -0.147) 0.894 4.661 ( -1.483 -0.394 0.237) 1.552 4.695 ( 0.483 0.178 2.645) 2.694 4.756 ( -0.959 1.376 2.879) 3.332 4.777 ( 0.577 -1.805 0.855) 2.079 4.836 ( 1.315 -0.159 -2.512) 2.840 4.848 ( 2.084 -0.245 -3.058) 3.709 4.902 ( -0.148 -1.642 -2.161) 2.718 4.944 ( -0.878 0.762 -4.667) 4.809 5.026 ( -3.023 0.143 -4.038) 5.046 5.134 ( 3.670 0.354 3.171) 4.863 5.184 ( 4.529 -1.960 4.421) 6.625 5.253 ( 3.289 0.814 -0.510) 3.427 5.285 ( 4.728 0.590 0.309) 4.775 5.334 ( 1.925 0.243 1.835) 2.670 5.370 ( 0.305 1.407 1.278) 1.925 5.415 ( -0.213 -2.248 0.054) 2.259 5.422 ( -1.183 -0.528 2.558) 2.867 5.432 ( -0.561 -0.387 -0.439) 0.811 5.454 ( -0.269 -1.775 0.759) 1.949 5.507 ( -2.349 0.496 2.614) 3.550 5.531 ( -0.737 -0.347 1.145) 1.405 5.595 ( -1.203 3.516 -2.522) 4.491 5.631 ( 0.642 2.989 -2.327) 3.842 5.715 ( -5.755 -2.036 -2.421) 6.567 5.759 ( -2.846 -1.538 -1.916) 3.759 5.986 ( 2.965 2.716 1.620) 4.336 6.090 ( 0.970 -0.519 3.008) 3.203 6.145 ( -2.714 0.388 -0.698) 2.829 6.184 ( -3.379 1.171 0.409) 3.600 6.274 ( -1.612 1.810 1.544) 2.874 6.316 ( -2.390 -0.134 0.790) 2.521 6.349 ( 1.641 0.668 -4.234) 4.590 6.464 ( -2.825 0.901 -0.393) 2.991 6.562 ( 2.449 0.003 -1.616) 2.934 6.568 ( 2.976 0.067 -1.646) 3.402 6.606 ( 2.823 0.187 -1.664) 3.282 6.630 ( 1.114 0.765 -1.550) 2.056 6.652 ( 2.134 0.228 -0.689) 2.254 6.684 ( 1.422 0.202 -3.481) 3.766 6.752 ( 3.160 -0.238 -3.806) 4.952 6.766 ( -1.129 0.604 -3.343) 3.580 6.884 ( 3.496 0.246 2.080) 4.075 6.925 ( 3.349 -1.169 0.419) 3.572 6.937 ( 0.470 0.085 0.266) 0.547 6.974 ( 4.866 -1.041 1.582) 5.222 6.993 ( -1.106 3.187 -1.194) 3.578 7.024 ( 0.867 3.335 -0.177) 3.450 7.060 ( 2.092 1.300 0.950) 2.640 7.080 ( -1.695 3.202 -0.917) 3.737 7.159 ( 3.196 3.642 0.325) 4.857 7.175 ( -0.000 -1.442 5.131) 5.329 7.206 ( -1.686 -0.472 0.372) 1.790 7.240 ( -0.352 -1.303 -0.185) 1.363 7.260 ( -2.390 -0.162 4.804) 5.368 7.293 ( -0.501 -1.731 1.931) 2.641 7.322 ( -3.017 1.906 3.959) 5.330 7.361 ( 1.968 -1.120 -0.439) 2.307 7.398 ( -3.506 -2.087 -1.274) 4.274 7.437 ( -0.707 -4.307 3.307) 5.476 7.477 ( -2.410 -2.409 3.992) 5.249 7.502 ( -6.639 0.131 3.654) 7.579 7.551 ( -1.569 -1.441 2.042) 2.951 7.615 ( -2.945 -4.896 4.041) 6.998 7.643 ( -3.620 -1.568 -0.938) 4.055 7.667 ( -5.406 1.362 3.791) 6.742 7.730 ( 4.109 -5.033 1.785) 6.738 7.772 ( -1.412 -3.037 1.933) 3.867 7.811 ( -0.461 -7.170 -1.965) 7.449 7.880 ( -1.642 -4.697 0.792) 5.038 7.997 ( 1.307 5.517 -2.180) 6.075 8.064 ( 1.451 4.641 -2.877) 5.650 8.114 ( -2.232 2.788 -1.833) 4.014 8.150 ( 2.447 5.595 -1.589) 6.310 8.227 ( -2.449 -1.120 -4.723) 5.437 8.270 ( -1.917 3.751 0.280) 4.222 8.320 ( -4.442 0.007 -3.894) 5.907 8.360 ( 1.279 -0.336 1.138) 1.745 8.392 ( -2.996 2.223 -0.338) 3.746 8.513 ( -3.687 -1.960 4.484) 6.128 8.565 ( -1.452 4.820 -2.035) 5.429 8.795 ( -7.773 -3.583 -4.426) 9.636 13.403 ( 3.076 0.401 0.023) 3.102 13.425 ( 2.210 -0.275 0.370) 2.257 13.462 ( 2.244 0.040 0.160) 2.250 13.492 ( 0.709 -1.250 0.291) 1.466 13.526 ( -0.630 2.551 0.780) 2.741 13.542 ( -1.983 1.053 -0.076) 2.247 13.572 ( -2.221 0.405 -1.031) 2.482 13.640 ( -3.483 -0.613 -0.314) 3.550 13.786 ( 0.379 0.426 0.561) 0.800 13.840 ( -0.534 -1.777 0.382) 1.894 13.855 ( 2.726 -0.880 0.346) 2.885 13.861 ( 1.778 -1.753 0.339) 2.520 13.910 ( -1.688 1.591 1.239) 2.630 13.983 ( -5.434 3.049 0.341) 6.241 14.099 ( -6.733 -5.651 -2.151) 9.049 14.151 ( -7.301 -2.934 -2.060) 8.133 15.469 ( -1.073 -0.093 2.313) 2.552 15.474 ( -1.467 -0.439 3.175) 3.526 15.513 ( 0.161 -0.344 1.111) 1.174 15.546 ( -1.064 -1.960 0.442) 2.273 15.605 ( -0.632 0.369 1.065) 1.293 15.631 ( -1.847 -0.060 0.282) 1.869 15.670 ( -1.897 1.026 -2.730) 3.479 15.754 ( -4.125 0.893 -0.147) 4.223 15.852 ( -0.547 3.492 0.325) 3.550 15.886 ( -1.227 2.873 -0.913) 3.255 15.903 ( -2.399 3.990 0.131) 4.657 15.930 ( -2.893 2.887 -0.903) 4.186 15.986 ( -1.323 -0.600 -0.709) 1.617 15.998 ( -0.926 -0.518 -1.009) 1.464 16.068 ( -4.904 -2.128 1.338) 5.511 16.110 ( -5.163 -1.114 -0.703) 5.329 16.422 ( 2.878 0.680 -0.191) 2.964 16.446 ( 1.885 1.358 0.211) 2.333 16.461 ( 1.841 1.520 -0.761) 2.506 16.474 ( 1.475 1.609 -0.437) 2.226 16.549 ( 2.161 -2.761 1.717) 3.904 16.565 ( 1.407 -3.057 0.635) 3.425 16.598 ( 0.859 -2.362 -0.638) 2.593 16.610 ( 0.555 -2.834 -0.697) 2.970 16.729 ( 4.293 4.786 1.502) 6.603 16.763 ( 3.748 2.247 3.783) 5.780 16.815 ( 7.466 2.927 -1.729) 8.204 16.915 ( 5.622 -2.113 1.740) 6.253 16.941 ( 3.705 -3.760 0.073) 5.279 16.969 ( 4.415 -2.890 0.602) 5.311 17.075 ( -0.888 1.665 -4.671) 5.038 17.118 ( -1.311 0.780 -2.883) 3.261 ======================= Grid point 45 (20/36) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -5.737 4.678 0.187) 7.405 0.900 ( 5.737 4.678 0.187) 7.405 0.984 ( -8.310 1.081 2.900) 8.868 0.984 ( 8.310 1.081 2.900) 8.868 1.006 ( -0.393 0.602 -1.314) 1.497 1.006 ( 0.393 0.602 -1.314) 1.497 1.075 ( -1.004 1.325 1.651) 2.343 1.075 ( 1.004 1.325 1.651) 2.343 1.147 ( -2.732 0.507 1.115) 2.994 1.147 ( 2.732 0.507 1.115) 2.994 1.190 ( -4.381 0.420 1.512) 4.654 1.190 ( 4.381 0.420 1.512) 4.654 1.254 ( -0.334 -1.638 -0.280) 1.694 1.254 ( 0.334 -1.638 -0.280) 1.694 1.320 ( -1.610 2.871 -0.038) 3.292 1.320 ( 1.610 2.871 -0.038) 3.292 1.439 ( -1.476 -0.329 -1.684) 2.264 1.439 ( 1.476 -0.329 -1.684) 2.264 1.468 ( -1.869 -0.403 -2.861) 3.441 1.468 ( 1.869 -0.403 -2.861) 3.441 1.580 ( -1.710 1.634 -0.432) 2.404 1.580 ( 1.710 1.634 -0.432) 2.404 1.606 ( -1.304 0.710 1.527) 2.130 1.606 ( 1.304 0.710 1.527) 2.130 1.619 ( -1.874 1.334 1.402) 2.694 1.619 ( 1.874 1.334 1.402) 2.694 1.661 ( -1.030 1.967 0.146) 2.225 1.661 ( 1.030 1.967 0.146) 2.225 1.727 ( -2.463 0.797 0.101) 2.590 1.727 ( 2.463 0.797 0.101) 2.590 1.794 ( -2.123 0.731 -3.392) 4.068 1.794 ( 2.123 0.731 -3.392) 4.068 1.894 ( -5.639 1.605 0.889) 5.930 1.894 ( 5.639 1.605 0.889) 5.930 2.024 ( -0.856 -2.622 0.490) 2.801 2.024 ( 0.856 -2.622 0.490) 2.801 2.089 ( -1.055 -0.796 -1.882) 2.300 2.089 ( 1.055 -0.796 -1.882) 2.300 2.135 ( -1.852 -2.113 0.228) 2.819 2.135 ( 1.852 -2.113 0.228) 2.819 2.189 ( -1.824 0.637 0.348) 1.964 2.189 ( 1.824 0.637 0.348) 1.964 2.257 ( -1.578 0.937 0.914) 2.050 2.257 ( 1.578 0.937 0.914) 2.050 2.318 ( -2.090 -1.526 2.152) 3.366 2.318 ( 2.090 -1.526 2.152) 3.366 2.339 ( -2.084 -1.193 -0.086) 2.403 2.339 ( 2.084 -1.193 -0.086) 2.403 2.388 ( -0.895 0.178 -1.810) 2.027 2.388 ( 0.895 0.178 -1.810) 2.027 2.410 ( -4.497 0.535 -1.109) 4.662 2.410 ( 4.497 0.535 -1.109) 4.662 2.467 ( -0.876 -1.577 -1.169) 2.150 2.467 ( 0.876 -1.577 -1.169) 2.150 2.540 ( -3.117 0.008 -1.118) 3.312 2.540 ( 3.117 0.008 -1.118) 3.312 2.613 ( -3.000 -0.773 -2.297) 3.857 2.613 ( 3.000 -0.773 -2.297) 3.857 2.644 ( -0.774 0.446 -1.864) 2.068 2.644 ( 0.774 0.446 -1.864) 2.068 2.777 ( -0.353 -0.288 1.186) 1.270 2.777 ( 0.353 -0.288 1.186) 1.270 2.796 ( -3.024 0.324 1.256) 3.290 2.796 ( 3.024 0.324 1.256) 3.290 2.889 ( -2.088 -1.625 -1.186) 2.899 2.889 ( 2.088 -1.625 -1.186) 2.899 2.924 ( -0.907 -1.694 -2.101) 2.848 2.924 ( 0.907 -1.694 -2.101) 2.848 3.051 ( -1.299 -0.854 2.791) 3.194 3.051 ( 1.299 -0.854 2.791) 3.194 3.088 ( -1.246 -0.910 0.788) 1.733 3.088 ( 1.246 -0.910 0.788) 1.733 4.249 ( -1.264 -0.144 1.067) 1.660 4.249 ( 1.264 -0.144 1.067) 1.660 4.303 ( -3.493 0.742 0.300) 3.584 4.303 ( 3.493 0.742 0.300) 3.584 4.330 ( -2.295 1.259 0.268) 2.632 4.330 ( 2.295 1.259 0.268) 2.632 4.376 ( -1.814 -0.562 -1.346) 2.328 4.376 ( 1.814 -0.562 -1.346) 2.328 4.482 ( -1.477 -1.623 0.808) 2.339 4.482 ( 1.477 -1.623 0.808) 2.339 4.539 ( -1.148 1.309 -1.366) 2.213 4.539 ( 1.148 1.309 -1.366) 2.213 4.592 ( -1.092 -0.504 -0.305) 1.241 4.592 ( 1.092 -0.504 -0.305) 1.241 4.637 ( -0.411 0.039 0.252) 0.484 4.637 ( 0.412 0.039 0.252) 0.484 4.711 ( -1.438 0.745 2.635) 3.093 4.711 ( 1.438 0.745 2.635) 3.093 4.818 ( -3.262 -3.464 -0.153) 4.761 4.818 ( 3.263 -3.464 -0.153) 4.761 4.905 ( -2.659 0.691 -5.304) 5.973 4.905 ( 2.659 0.691 -5.304) 5.973 4.938 ( -4.980 0.309 -3.979) 6.382 4.938 ( 4.980 0.309 -3.979) 6.382 5.251 ( -3.547 -0.293 4.504) 5.740 5.251 ( 3.547 -0.293 4.504) 5.740 5.337 ( -4.123 -0.269 3.119) 5.177 5.337 ( 4.123 -0.269 3.119) 5.177 5.344 ( -3.728 0.886 2.104) 4.371 5.344 ( 3.728 0.886 2.104) 4.371 5.394 ( -2.899 -0.118 -0.199) 2.908 5.394 ( 2.899 -0.118 -0.199) 2.908 5.429 ( -1.817 -0.815 0.879) 2.177 5.429 ( 1.817 -0.815 0.879) 2.177 5.497 ( -2.165 -1.674 1.251) 3.009 5.497 ( 2.165 -1.674 1.251) 3.009 5.598 ( -3.381 1.946 -2.983) 4.911 5.598 ( 3.381 1.946 -2.983) 4.911 5.679 ( -4.091 0.712 -3.708) 5.567 5.679 ( 4.091 0.712 -3.708) 5.567 6.061 ( -4.069 2.396 1.590) 4.982 6.061 ( 4.069 2.396 1.590) 4.982 6.132 ( -1.998 -0.077 1.189) 2.326 6.132 ( 1.998 -0.077 1.189) 2.326 6.270 ( -1.418 0.752 0.375) 1.648 6.270 ( 1.418 0.752 0.375) 1.648 6.398 ( -3.215 0.570 -2.209) 3.942 6.398 ( 3.215 0.570 -2.209) 3.942 6.603 ( -0.696 -0.343 -2.071) 2.211 6.603 ( 0.696 -0.343 -2.071) 2.211 6.634 ( -0.163 1.483 -2.215) 2.670 6.634 ( 0.163 1.483 -2.215) 2.670 6.688 ( -1.042 -0.121 -0.446) 1.140 6.688 ( 1.042 -0.121 -0.446) 1.140 6.769 ( -0.915 -0.677 -5.557) 5.672 6.769 ( 0.915 -0.677 -5.557) 5.672 6.937 ( -2.032 1.366 0.212) 2.458 6.937 ( 2.032 1.366 0.212) 2.458 6.958 ( -1.669 1.753 0.106) 2.423 6.958 ( 1.669 1.753 0.106) 2.423 7.058 ( -3.565 0.718 0.913) 3.750 7.058 ( 3.565 0.718 0.913) 3.750 7.079 ( -4.233 -1.145 1.304) 4.575 7.079 ( 4.233 -1.145 1.304) 4.575 7.195 ( -1.888 0.427 1.952) 2.749 7.195 ( 1.888 0.427 1.952) 2.749 7.215 ( -4.687 0.923 2.904) 5.590 7.215 ( 4.687 0.923 2.904) 5.590 7.271 ( -3.806 0.758 2.211) 4.467 7.271 ( 3.806 0.758 2.211) 4.467 7.318 ( -4.357 0.376 2.373) 4.976 7.318 ( 4.357 0.376 2.373) 4.976 7.361 ( -5.363 0.065 2.076) 5.751 7.361 ( 5.363 0.065 2.076) 5.751 7.470 ( -3.954 1.141 2.750) 4.950 7.470 ( 3.954 1.141 2.750) 4.950 7.502 ( -3.605 -5.156 6.198) 8.831 7.502 ( 3.605 -5.156 6.198) 8.831 7.633 ( -1.145 -0.510 -0.025) 1.254 7.633 ( 1.145 -0.510 -0.025) 1.254 7.775 ( -1.178 -8.556 -0.486) 8.650 7.775 ( 1.178 -8.556 -0.486) 8.650 7.827 ( -3.326 -4.385 -0.076) 5.504 7.827 ( 3.326 -4.385 -0.076) 5.504 8.041 ( -2.865 4.205 -0.965) 5.179 8.041 ( 2.865 4.205 -0.965) 5.179 8.141 ( -3.534 0.494 -6.215) 7.166 8.141 ( 3.534 0.494 -6.215) 7.166 8.236 ( -2.503 3.238 -1.463) 4.346 8.236 ( 2.503 3.238 -1.463) 4.346 8.287 ( -3.843 7.233 -1.477) 8.322 8.287 ( 3.843 7.233 -1.477) 8.322 8.427 ( -4.240 -2.629 4.399) 6.651 8.427 ( 4.240 -2.629 4.399) 6.651 8.643 ( -6.923 -2.146 -3.625) 8.104 8.643 ( 6.923 -2.146 -3.625) 8.104 13.459 ( -1.023 -0.187 0.211) 1.061 13.459 ( 1.023 -0.187 0.211) 1.061 13.485 ( -0.694 0.672 1.057) 1.432 13.485 ( 0.694 0.672 1.057) 1.432 13.517 ( -2.538 0.117 -0.696) 2.634 13.517 ( 2.538 0.117 -0.696) 2.634 13.570 ( -3.004 0.563 -0.337) 3.074 13.570 ( 3.004 0.563 -0.337) 3.074 13.816 ( -1.819 1.374 1.287) 2.617 13.816 ( 1.819 1.374 1.287) 2.617 13.865 ( -2.503 0.788 -0.505) 2.673 13.865 ( 2.503 0.788 -0.505) 2.673 13.965 ( -5.990 -3.746 -0.738) 7.104 13.965 ( 5.990 -3.746 -0.738) 7.104 14.006 ( -6.560 -2.401 -1.070) 7.067 14.006 ( 6.560 -2.401 -1.070) 7.067 15.458 ( -0.165 0.138 2.210) 2.220 15.458 ( 0.165 0.138 2.210) 2.220 15.526 ( -0.970 -1.342 0.524) 1.737 15.526 ( 0.970 -1.342 0.524) 1.737 15.601 ( -0.699 0.807 0.086) 1.071 15.601 ( 0.699 0.807 0.086) 1.071 15.684 ( -2.612 -0.418 -0.592) 2.711 15.684 ( 2.612 -0.418 -0.592) 2.711 15.857 ( -1.063 3.434 0.337) 3.610 15.857 ( 1.063 3.434 0.337) 3.610 15.894 ( -1.016 3.420 -0.862) 3.670 15.894 ( 1.016 3.420 -0.862) 3.670 15.994 ( -2.051 -1.347 0.233) 2.465 15.994 ( 2.051 -1.347 0.233) 2.465 16.025 ( -3.024 -0.876 -1.093) 3.333 16.025 ( 3.024 -0.876 -1.093) 3.333 16.456 ( -0.630 1.241 0.170) 1.402 16.456 ( 0.630 1.241 0.170) 1.402 16.485 ( -0.359 1.576 -0.621) 1.732 16.485 ( 0.359 1.576 -0.621) 1.732 16.573 ( -0.416 -2.847 0.915) 3.020 16.573 ( 0.416 -2.847 0.915) 3.020 16.610 ( -0.376 -2.272 -0.504) 2.358 16.610 ( 0.376 -2.272 -0.504) 2.358 16.791 ( -1.091 3.360 2.779) 4.494 16.791 ( 1.091 3.360 2.779) 4.494 16.936 ( -3.374 -0.355 -0.712) 3.466 16.936 ( 3.374 -0.355 -0.712) 3.466 17.015 ( -3.945 -1.063 -0.750) 4.154 17.015 ( 3.945 -1.063 -0.750) 4.154 17.066 ( -3.746 -0.543 -1.313) 4.006 17.066 ( 3.746 -0.543 -1.313) 4.006 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 -8.927 7.153) 11.439 0.588 ( 0.000 8.927 7.153) 11.439 0.678 ( 0.000 -11.185 7.660) 13.557 0.678 ( 0.000 11.185 7.660) 13.557 0.909 ( 0.000 -3.618 -2.840) 4.600 0.909 ( 0.000 3.618 -2.840) 4.600 0.980 ( 0.000 -4.565 -1.352) 4.761 0.980 ( 0.000 4.565 -1.352) 4.761 1.082 ( 0.000 -2.001 -4.323) 4.764 1.082 ( 0.000 2.001 -4.323) 4.764 1.140 ( 0.000 -1.263 -1.508) 1.967 1.140 ( 0.000 1.263 -1.508) 1.967 1.227 ( 0.000 -1.132 -1.020) 1.523 1.227 ( 0.000 1.132 -1.020) 1.523 1.338 ( 0.000 -0.046 -3.790) 3.790 1.338 ( 0.000 0.046 -3.790) 3.790 1.399 ( 0.000 -6.317 3.667) 7.304 1.399 ( 0.000 6.317 3.667) 7.304 1.405 ( 0.000 -7.724 -0.673) 7.753 1.405 ( 0.000 7.724 -0.673) 7.753 1.459 ( 0.000 -5.621 -1.043) 5.717 1.459 ( 0.000 5.621 -1.043) 5.717 1.538 ( 0.000 -2.400 2.274) 3.306 1.538 ( 0.000 2.400 2.274) 3.306 1.610 ( 0.000 -0.390 3.570) 3.591 1.610 ( 0.000 0.390 3.570) 3.591 1.664 ( 0.000 -1.614 0.384) 1.659 1.664 ( 0.000 1.614 0.384) 1.659 1.695 ( 0.000 -1.191 4.005) 4.179 1.695 ( 0.000 1.191 4.005) 4.179 1.777 ( 0.000 -2.568 -3.168) 4.078 1.777 ( 0.000 2.568 -3.168) 4.078 1.896 ( 0.000 -1.554 0.545) 1.646 1.896 ( 0.000 1.554 0.545) 1.646 1.956 ( 0.000 -0.810 1.391) 1.610 1.956 ( 0.000 0.810 1.391) 1.610 2.021 ( 0.000 -3.686 -1.502) 3.980 2.021 ( 0.000 3.686 -1.502) 3.980 2.078 ( 0.000 -4.855 -1.923) 5.222 2.078 ( 0.000 4.855 -1.923) 5.222 2.130 ( 0.000 -2.571 -2.584) 3.645 2.130 ( 0.000 2.571 -2.584) 3.645 2.171 ( 0.000 -3.318 -1.822) 3.785 2.171 ( 0.000 3.318 -1.822) 3.785 2.285 ( 0.000 -0.465 -0.775) 0.903 2.285 ( 0.000 0.465 -0.775) 0.903 2.340 ( 0.000 -1.905 -2.019) 2.776 2.340 ( 0.000 1.905 -2.019) 2.776 2.426 ( 0.000 -1.854 -0.712) 1.986 2.426 ( 0.000 1.854 -0.712) 1.986 2.443 ( 0.000 -0.072 1.232) 1.234 2.443 ( 0.000 0.072 1.232) 1.234 2.465 ( 0.000 -0.492 -0.851) 0.983 2.465 ( 0.000 0.492 -0.851) 0.983 2.495 ( 0.000 -0.519 -1.167) 1.278 2.495 ( 0.000 0.519 -1.167) 1.278 2.608 ( 0.000 -0.602 -0.731) 0.947 2.608 ( 0.000 0.602 -0.731) 0.947 2.632 ( 0.000 -0.447 -1.063) 1.153 2.632 ( 0.000 0.447 -1.063) 1.153 2.706 ( 0.000 -1.690 1.201) 2.073 2.706 ( 0.000 1.690 1.201) 2.073 2.811 ( 0.000 -0.421 3.594) 3.618 2.811 ( 0.000 0.421 3.594) 3.618 2.891 ( 0.000 -1.986 -3.617) 4.127 2.891 ( 0.000 1.986 -3.617) 4.127 2.959 ( 0.000 -0.209 1.953) 1.965 2.959 ( 0.000 0.209 1.953) 1.965 2.965 ( 0.000 -0.608 2.430) 2.505 2.965 ( 0.000 0.608 2.430) 2.505 3.102 ( 0.000 -0.886 -1.058) 1.380 3.102 ( 0.000 0.886 -1.058) 1.380 4.075 ( 0.000 -3.596 -0.133) 3.599 4.075 ( 0.000 3.596 -0.133) 3.599 4.135 ( 0.000 -2.271 -2.462) 3.349 4.135 ( 0.000 2.271 -2.462) 3.349 4.258 ( 0.000 -0.184 2.064) 2.073 4.258 ( 0.000 0.184 2.064) 2.073 4.349 ( 0.000 -1.029 -0.257) 1.061 4.349 ( 0.000 1.029 -0.257) 1.061 4.365 ( 0.000 -2.743 0.261) 2.755 4.365 ( 0.000 2.743 0.261) 2.755 4.514 ( 0.000 -0.040 -3.919) 3.919 4.514 ( 0.000 0.040 -3.919) 3.919 4.614 ( 0.000 -2.643 0.498) 2.690 4.614 ( 0.000 2.643 0.498) 2.690 4.662 ( 0.000 -3.540 -0.758) 3.620 4.662 ( 0.000 3.540 -0.758) 3.620 4.715 ( 0.000 -2.407 2.061) 3.169 4.715 ( 0.000 2.407 2.061) 3.169 4.758 ( 0.000 -1.156 4.956) 5.089 4.758 ( 0.000 1.156 4.956) 5.089 4.823 ( 0.000 -1.763 -1.269) 2.172 4.823 ( 0.000 1.763 -1.269) 2.172 5.049 ( 0.000 -3.040 -5.609) 6.379 5.049 ( 0.000 3.040 -5.609) 6.379 5.109 ( 0.000 -2.200 1.023) 2.426 5.109 ( 0.000 2.200 1.023) 2.426 5.187 ( 0.000 -0.081 -1.777) 1.779 5.187 ( 0.000 0.081 -1.777) 1.779 5.330 ( 0.000 -1.859 1.147) 2.185 5.330 ( 0.000 1.859 1.147) 2.185 5.345 ( 0.000 -0.002 1.051) 1.051 5.345 ( 0.000 0.002 1.051) 1.051 5.469 ( 0.000 -1.315 3.959) 4.172 5.469 ( 0.000 1.315 3.959) 4.172 5.495 ( 0.000 -1.402 2.037) 2.472 5.495 ( 0.000 1.402 2.037) 2.472 5.625 ( 0.000 -0.477 -2.632) 2.675 5.625 ( 0.000 0.477 -2.632) 2.675 5.702 ( 0.000 -3.892 -2.749) 4.765 5.702 ( 0.000 3.892 -2.749) 4.765 6.020 ( 0.000 -4.219 3.349) 5.386 6.020 ( 0.000 4.219 3.349) 5.386 6.263 ( 0.000 -3.280 -1.930) 3.806 6.263 ( 0.000 3.280 -1.930) 3.806 6.320 ( 0.000 -1.512 1.978) 2.490 6.320 ( 0.000 1.512 1.978) 2.490 6.453 ( 0.000 -1.895 0.739) 2.034 6.453 ( 0.000 1.895 0.739) 2.034 6.478 ( 0.000 -0.245 0.343) 0.422 6.478 ( 0.000 0.245 0.343) 0.422 6.556 ( 0.000 -0.520 -2.758) 2.807 6.556 ( 0.000 0.520 -2.758) 2.807 6.608 ( 0.000 -0.378 1.408) 1.458 6.608 ( 0.000 0.378 1.408) 1.458 6.738 ( 0.000 -7.301 -3.416) 8.060 6.738 ( 0.000 7.301 -3.416) 8.060 6.833 ( 0.000 -2.010 3.866) 4.357 6.833 ( 0.000 2.010 3.866) 4.357 6.934 ( 0.000 -0.498 0.658) 0.826 6.934 ( 0.000 0.498 0.658) 0.826 6.994 ( 0.000 -0.451 1.010) 1.106 6.994 ( 0.000 0.451 1.010) 1.106 7.078 ( 0.000 -1.310 -2.761) 3.056 7.078 ( 0.000 1.310 -2.761) 3.056 7.171 ( 0.000 -1.876 -1.115) 2.182 7.171 ( 0.000 1.876 -1.115) 2.182 7.277 ( 0.000 -2.557 -2.197) 3.371 7.277 ( 0.000 2.557 -2.197) 3.371 7.299 ( 0.000 -0.966 2.545) 2.722 7.299 ( 0.000 0.966 2.545) 2.722 7.373 ( 0.000 -4.601 5.016) 6.807 7.373 ( 0.000 4.601 5.016) 6.807 7.444 ( 0.000 -7.095 0.813) 7.142 7.444 ( 0.000 7.095 0.813) 7.142 7.486 ( 0.000 -2.288 -0.430) 2.328 7.486 ( 0.000 2.288 -0.430) 2.328 7.611 ( 0.000 -2.729 1.371) 3.054 7.611 ( 0.000 2.729 1.371) 3.054 7.679 ( 0.000 -3.859 -1.113) 4.016 7.679 ( 0.000 3.859 -1.113) 4.016 7.754 ( 0.000 -2.545 2.817) 3.797 7.754 ( 0.000 2.545 2.817) 3.797 7.893 ( 0.000 -4.050 5.874) 7.135 7.893 ( 0.000 4.050 5.874) 7.135 8.120 ( 0.000 -6.042 -2.275) 6.457 8.120 ( 0.000 6.042 -2.275) 6.457 8.171 ( 0.000 -4.689 -0.607) 4.728 8.171 ( 0.000 4.689 -0.607) 4.728 8.267 ( 0.000 -6.130 -1.289) 6.264 8.267 ( 0.000 6.130 -1.289) 6.264 8.337 ( 0.000 -7.003 -4.375) 8.258 8.337 ( 0.000 7.003 -4.375) 8.258 8.621 ( 0.000 -2.641 3.435) 4.333 8.621 ( 0.000 2.641 3.435) 4.333 8.902 ( 0.000 -6.666 -6.652) 9.417 8.902 ( 0.000 6.666 -6.652) 9.417 13.355 ( 0.000 -1.661 0.615) 1.772 13.355 ( 0.000 1.661 0.615) 1.772 13.433 ( 0.000 -1.975 -0.564) 2.054 13.433 ( 0.000 1.975 -0.564) 2.054 13.615 ( 0.000 -0.988 -0.018) 0.988 13.615 ( 0.000 0.988 -0.018) 0.988 13.639 ( 0.000 -3.937 0.664) 3.993 13.639 ( 0.000 3.937 0.664) 3.993 13.790 ( 0.000 -0.648 0.823) 1.048 13.790 ( 0.000 0.648 0.823) 1.048 13.873 ( 0.000 -2.744 2.341) 3.608 13.873 ( 0.000 2.744 2.341) 3.608 14.114 ( 0.000 -7.634 -1.874) 7.861 14.114 ( 0.000 7.634 -1.874) 7.861 14.240 ( 0.000 -5.465 -1.503) 5.668 14.240 ( 0.000 5.465 -1.503) 5.668 15.497 ( 0.000 -0.070 2.927) 2.927 15.497 ( 0.000 0.070 2.927) 2.927 15.549 ( 0.000 -0.402 3.956) 3.977 15.549 ( 0.000 0.402 3.956) 3.977 15.637 ( 0.000 -3.091 -0.649) 3.159 15.637 ( 0.000 3.091 -0.649) 3.159 15.900 ( 0.000 -2.522 -7.170) 7.601 15.900 ( 0.000 2.522 -7.170) 7.601 16.024 ( 0.000 -4.693 0.902) 4.779 16.024 ( 0.000 4.693 0.902) 4.779 16.077 ( 0.000 -4.879 -0.767) 4.939 16.077 ( 0.000 4.879 -0.767) 4.939 16.131 ( 0.000 -0.189 1.312) 1.326 16.131 ( 0.000 0.189 1.312) 1.326 16.196 ( 0.000 -0.041 -2.060) 2.060 16.196 ( 0.000 0.041 -2.060) 2.060 16.320 ( 0.000 -0.861 2.208) 2.370 16.320 ( 0.000 0.861 2.208) 2.370 16.345 ( 0.000 -0.727 1.690) 1.839 16.345 ( 0.000 0.727 1.690) 1.839 16.412 ( 0.000 -0.861 1.342) 1.594 16.412 ( 0.000 0.861 1.342) 1.594 16.486 ( 0.000 -0.469 -1.540) 1.610 16.486 ( 0.000 0.469 -1.540) 1.610 16.672 ( 0.000 -3.124 1.317) 3.390 16.672 ( 0.000 3.124 1.317) 3.390 16.705 ( 0.000 -3.106 0.098) 3.108 16.705 ( 0.000 3.106 0.098) 3.108 16.769 ( 0.000 -5.670 3.664) 6.751 16.769 ( 0.000 5.670 3.664) 6.751 17.080 ( 0.000 -0.335 -7.719) 7.726 17.080 ( 0.000 0.335 -7.719) 7.726 ======================= Grid point 51 (22/36) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 6.630 -0.000 5.403) 8.552 0.694 ( 8.241 0.000 6.228) 10.330 0.808 ( 7.953 -0.000 3.897) 8.856 0.839 ( 9.601 0.000 4.720) 10.698 0.928 ( 3.012 -0.000 -1.702) 3.460 0.937 ( 1.991 0.000 -3.786) 4.277 0.994 ( 3.896 -0.000 -0.164) 3.900 1.022 ( 5.097 0.000 0.513) 5.123 1.058 ( 0.588 -0.000 -1.170) 1.309 1.114 ( -0.732 0.000 0.567) 0.926 1.170 ( 2.892 0.000 -2.887) 4.087 1.229 ( 1.944 0.000 1.039) 2.205 1.244 ( 5.247 0.000 -5.302) 7.460 1.264 ( 2.507 0.000 -3.087) 3.977 1.338 ( 1.350 0.000 -3.654) 3.895 1.376 ( 2.215 0.000 -4.054) 4.619 1.381 ( -1.866 -0.000 -1.061) 2.147 1.426 ( 0.431 -0.000 3.900) 3.923 1.431 ( 4.137 0.000 4.122) 5.840 1.435 ( 2.205 0.000 1.510) 2.673 1.461 ( 2.513 -0.000 -3.827) 4.579 1.480 ( 0.028 0.000 -0.889) 0.889 1.557 ( 1.109 0.000 0.602) 1.262 1.566 ( 2.412 0.000 4.453) 5.064 1.599 ( -2.289 0.000 2.756) 3.582 1.605 ( 0.536 -0.000 5.636) 5.661 1.653 ( 1.299 0.000 -1.617) 2.074 1.714 ( 2.337 0.000 1.550) 2.804 1.726 ( 3.479 0.000 2.172) 4.102 1.740 ( 0.113 0.000 0.219) 0.246 1.752 ( -2.394 0.000 -0.841) 2.537 1.766 ( 0.795 0.000 0.439) 0.908 1.869 ( -0.739 0.000 0.399) 0.840 1.955 ( 2.575 0.000 1.838) 3.164 1.970 ( 1.516 0.000 0.694) 1.667 1.978 ( 0.251 0.000 -0.892) 0.927 2.044 ( 1.435 0.000 -7.590) 7.724 2.077 ( -1.024 -0.000 -2.950) 3.123 2.081 ( 5.759 0.000 -0.907) 5.830 2.102 ( -0.048 0.000 -3.517) 3.517 2.128 ( 4.772 0.000 1.726) 5.075 2.141 ( 2.305 -0.000 -0.293) 2.323 2.149 ( 1.324 0.000 -0.458) 1.401 2.197 ( 0.013 0.000 -1.066) 1.066 2.257 ( -1.787 0.000 -1.065) 2.081 2.294 ( 1.131 0.000 -1.668) 2.015 2.328 ( -1.156 0.000 -1.159) 1.637 2.336 ( 0.810 -0.000 -0.825) 1.156 2.367 ( -4.318 0.000 3.159) 5.351 2.375 ( -1.382 -0.000 -3.056) 3.354 2.434 ( -2.242 0.000 1.276) 2.580 2.441 ( -1.875 0.000 -0.230) 1.889 2.447 ( -0.676 0.000 -0.627) 0.922 2.476 ( -0.307 0.000 -0.652) 0.721 2.499 ( 2.009 0.000 -1.626) 2.584 2.515 ( 1.465 0.000 -1.786) 2.310 2.575 ( -1.881 -0.000 0.894) 2.083 2.597 ( -0.669 0.000 -0.858) 1.088 2.632 ( 1.275 0.000 -0.374) 1.329 2.659 ( -1.463 0.000 -0.632) 1.594 2.697 ( 2.190 0.000 1.236) 2.515 2.738 ( 1.267 0.000 2.224) 2.559 2.803 ( 1.273 0.000 2.090) 2.448 2.853 ( -2.268 0.000 -1.926) 2.975 2.877 ( -2.048 -0.000 -3.481) 4.039 2.878 ( 0.434 0.000 0.775) 0.888 2.900 ( -1.221 0.000 -1.243) 1.743 2.937 ( 1.565 0.000 4.756) 5.007 2.992 ( -0.184 0.000 -1.961) 1.970 3.010 ( 1.927 0.000 4.713) 5.092 3.081 ( -0.636 0.000 -0.642) 0.904 3.123 ( 0.428 0.000 -0.204) 0.474 4.107 ( 3.638 -0.000 -0.102) 3.639 4.126 ( 4.125 0.000 0.156) 4.128 4.173 ( 3.132 -0.000 -2.424) 3.961 4.178 ( 4.001 0.000 -2.273) 4.601 4.271 ( 0.963 0.000 1.976) 2.198 4.285 ( 2.900 0.000 2.081) 3.569 4.354 ( 0.629 0.000 0.103) 0.637 4.361 ( 2.025 0.000 0.117) 2.029 4.391 ( 3.196 0.000 -0.825) 3.301 4.407 ( 1.880 0.000 0.049) 1.880 4.477 ( -1.988 0.000 -1.668) 2.595 4.527 ( 0.270 0.000 -2.758) 2.772 4.587 ( -2.170 0.000 1.991) 2.944 4.600 ( -0.458 0.000 -0.740) 0.870 4.624 ( -1.380 0.000 -0.942) 1.670 4.666 ( -0.975 0.000 -0.728) 1.217 4.700 ( -0.734 0.000 3.668) 3.740 4.730 ( 0.954 0.000 1.685) 1.936 4.768 ( 2.258 0.000 0.971) 2.458 4.804 ( 1.407 0.000 1.373) 1.966 4.842 ( 1.930 0.000 1.097) 2.220 4.847 ( 1.593 0.000 -1.892) 2.473 4.985 ( -2.520 0.000 -5.906) 6.421 5.059 ( -0.794 0.000 -3.168) 3.266 5.113 ( -0.044 0.000 1.311) 1.311 5.122 ( 0.667 0.000 1.519) 1.659 5.196 ( 1.962 0.000 -1.339) 2.376 5.217 ( 2.678 0.000 -1.924) 3.297 5.326 ( -0.221 0.000 1.797) 1.811 5.341 ( 1.531 -0.000 1.310) 2.015 5.375 ( 2.482 0.000 0.276) 2.497 5.424 ( 0.626 0.000 4.773) 4.814 5.443 ( 1.809 -0.000 -1.519) 2.362 5.455 ( -1.148 0.000 2.345) 2.611 5.499 ( 0.360 0.000 2.281) 2.309 5.555 ( 1.116 0.000 0.271) 1.149 5.630 ( 0.407 0.000 -3.166) 3.192 5.663 ( 3.373 0.000 -1.611) 3.738 5.702 ( 0.633 0.000 -3.647) 3.702 5.722 ( 1.346 0.000 -2.097) 2.492 5.998 ( -0.406 0.000 2.758) 2.788 6.050 ( 1.552 0.000 3.794) 4.099 6.206 ( -3.145 0.000 -2.694) 4.141 6.265 ( -2.396 0.000 5.380) 5.890 6.321 ( -0.389 0.000 3.270) 3.293 6.325 ( 1.077 -0.000 -5.433) 5.538 6.370 ( -3.442 0.000 -0.114) 3.444 6.494 ( 1.393 0.000 1.142) 1.801 6.500 ( 2.534 0.000 0.244) 2.546 6.540 ( 3.608 0.000 -0.452) 3.637 6.563 ( -0.762 0.000 -4.371) 4.437 6.583 ( 2.891 0.000 -0.607) 2.954 6.614 ( 0.830 0.000 -0.226) 0.860 6.664 ( 5.366 0.000 1.843) 5.674 6.706 ( -0.450 0.000 -5.495) 5.514 6.808 ( 0.668 0.000 -0.436) 0.798 6.835 ( 1.583 -0.000 1.258) 2.022 6.836 ( 0.727 0.000 3.417) 3.494 6.919 ( 0.852 0.000 2.577) 2.714 6.927 ( -0.449 0.000 -1.115) 1.202 6.943 ( 0.724 0.000 -1.204) 1.405 7.044 ( 2.116 0.000 0.935) 2.314 7.083 ( 0.390 0.000 -2.118) 2.153 7.123 ( 2.058 0.000 0.427) 2.102 7.187 ( -1.979 0.000 -2.253) 2.999 7.191 ( 2.401 0.000 1.458) 2.809 7.222 ( -0.376 0.000 -1.705) 1.746 7.251 ( -2.757 0.000 -1.059) 2.953 7.284 ( -1.130 -0.000 4.026) 4.181 7.321 ( -1.642 -0.000 -1.394) 2.153 7.322 ( -3.669 0.000 2.015) 4.186 7.333 ( -0.771 0.000 4.258) 4.328 7.424 ( -1.086 -0.000 4.348) 4.481 7.430 ( -3.247 0.000 -2.372) 4.021 7.479 ( -0.581 0.000 -0.671) 0.887 7.496 ( 0.184 0.000 3.092) 3.097 7.582 ( -0.337 0.000 0.442) 0.556 7.631 ( -0.858 0.000 4.518) 4.599 7.678 ( 1.795 0.000 -2.467) 3.050 7.707 ( -2.384 0.000 2.189) 3.237 7.729 ( 0.692 0.000 1.362) 1.527 7.740 ( -3.365 -0.000 2.217) 4.030 7.812 ( -4.821 0.000 4.237) 6.418 7.877 ( -2.608 0.000 6.230) 6.754 8.089 ( -1.239 0.000 -3.980) 4.169 8.145 ( 0.599 0.000 -2.833) 2.896 8.171 ( -0.025 0.000 -1.644) 1.644 8.186 ( 0.720 -0.000 -0.107) 0.728 8.236 ( -1.671 0.000 -1.482) 2.233 8.264 ( -0.900 0.000 -1.671) 1.898 8.322 ( -0.723 -0.000 -3.745) 3.814 8.334 ( -0.031 0.000 -3.191) 3.191 8.547 ( -5.764 -0.000 4.065) 7.054 8.578 ( -4.755 0.000 4.029) 6.232 8.829 ( -6.176 -0.000 -5.617) 8.349 8.837 ( -6.014 0.000 -5.294) 8.012 13.366 ( 1.387 0.000 0.370) 1.435 13.373 ( 1.654 -0.000 0.570) 1.749 13.439 ( 0.866 0.000 -0.245) 0.900 13.447 ( 1.176 -0.000 -0.480) 1.270 13.597 ( -1.421 0.000 -0.326) 1.458 13.601 ( -2.185 -0.000 -0.071) 2.186 13.624 ( 0.538 0.000 0.108) 0.549 13.641 ( -2.100 0.000 -0.648) 2.198 13.762 ( 0.826 0.000 2.223) 2.372 13.797 ( -0.643 0.000 0.947) 1.145 13.840 ( -2.194 -0.000 2.891) 3.630 13.869 ( -0.885 0.000 1.757) 1.967 14.071 ( -3.799 -0.000 -0.886) 3.901 14.079 ( -3.467 0.000 -2.390) 4.211 14.166 ( -5.744 -0.000 -1.143) 5.857 14.213 ( -3.875 0.000 -1.540) 4.169 15.483 ( -0.755 0.000 1.774) 1.928 15.493 ( -0.998 0.000 4.479) 4.589 15.530 ( -0.836 0.000 2.575) 2.708 15.537 ( -1.218 0.000 2.798) 3.051 15.627 ( -0.390 0.000 -1.565) 1.612 15.634 ( -0.796 0.000 0.952) 1.241 15.799 ( -6.861 0.000 -5.722) 8.934 15.863 ( -4.265 0.000 -3.494) 5.514 15.961 ( -3.442 -0.000 0.415) 3.467 15.975 ( -4.703 0.000 -0.307) 4.713 15.985 ( -3.634 0.000 -1.195) 3.826 16.009 ( -5.024 0.000 -1.423) 5.222 16.076 ( -4.358 0.000 0.913) 4.453 16.096 ( -2.308 0.000 -0.673) 2.404 16.105 ( -5.824 -0.000 2.950) 6.529 16.194 ( -6.087 0.000 0.337) 6.097 16.336 ( 6.015 0.000 -0.330) 6.024 16.388 ( 5.480 0.000 -1.067) 5.583 16.416 ( 5.411 0.000 1.188) 5.540 16.451 ( 3.870 0.000 0.131) 3.872 16.458 ( 3.975 -0.000 0.479) 4.004 16.476 ( 3.015 0.000 1.895) 3.561 16.517 ( 2.775 0.000 -1.523) 3.166 16.544 ( 2.702 0.000 -0.645) 2.778 16.710 ( 4.592 -0.000 1.555) 4.849 16.720 ( 3.267 0.000 1.241) 3.495 16.742 ( 5.894 0.000 -0.318) 5.902 16.753 ( 3.283 0.000 -0.412) 3.309 16.801 ( 2.956 0.000 3.452) 4.545 16.819 ( 4.770 0.000 4.370) 6.469 17.089 ( 1.175 0.000 -7.105) 7.202 17.122 ( 2.038 0.000 -6.419) 6.735 ======================= Grid point 53 (23/36) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 10.536 -0.000 3.584) 11.129 0.890 ( 9.938 0.000 4.185) 10.783 0.906 ( 3.689 -0.000 0.260) 3.698 0.945 ( 2.858 0.000 0.805) 2.969 0.973 ( 1.287 0.000 -2.144) 2.501 0.999 ( 2.605 0.000 -0.918) 2.762 1.070 ( 1.257 0.000 0.890) 1.540 1.092 ( 3.282 0.000 -0.922) 3.409 1.111 ( 1.349 0.000 2.974) 3.266 1.178 ( 3.885 0.000 0.914) 3.991 1.191 ( 0.036 0.000 -0.272) 0.275 1.234 ( -0.159 0.000 1.057) 1.069 1.235 ( -5.497 0.000 1.358) 5.662 1.313 ( -2.950 0.000 -0.966) 3.104 1.360 ( 1.337 -0.000 -1.914) 2.335 1.391 ( 0.600 0.000 0.405) 0.724 1.401 ( 2.809 0.000 -5.315) 6.011 1.415 ( 0.751 -0.000 -4.175) 4.242 1.475 ( -0.494 -0.000 -0.270) 0.562 1.487 ( -0.453 0.000 -2.852) 2.887 1.514 ( 4.563 -0.000 1.603) 4.836 1.532 ( 2.626 0.000 2.083) 3.352 1.560 ( 0.533 0.000 2.899) 2.948 1.608 ( 2.854 0.000 -0.976) 3.016 1.632 ( 4.061 0.000 2.597) 4.821 1.648 ( 5.168 0.000 3.187) 6.072 1.671 ( -2.946 0.000 2.112) 3.625 1.689 ( -1.711 -0.000 0.744) 1.866 1.699 ( 1.652 0.000 -3.242) 3.639 1.749 ( -1.879 0.000 0.763) 2.028 1.797 ( 2.165 -0.000 -1.387) 2.571 1.801 ( 2.608 -0.000 -0.735) 2.710 1.872 ( 1.763 0.000 3.312) 3.752 1.931 ( -3.243 0.000 -2.532) 4.114 1.961 ( -0.280 0.000 -1.449) 1.476 2.003 ( 1.288 0.000 1.816) 2.227 2.081 ( -0.130 0.000 -2.054) 2.058 2.089 ( 0.948 -0.000 -0.657) 1.154 2.110 ( -4.567 0.000 -0.588) 4.605 2.131 ( 4.066 -0.000 -0.760) 4.136 2.190 ( -0.253 -0.000 -1.618) 1.637 2.204 ( 3.283 -0.000 -4.593) 5.645 2.204 ( 3.455 0.000 -1.190) 3.654 2.242 ( 2.224 0.000 1.876) 2.909 2.266 ( -0.167 0.000 1.615) 1.623 2.294 ( 4.265 -0.000 1.666) 4.579 2.317 ( 0.373 0.000 -0.257) 0.452 2.332 ( -0.673 0.000 1.317) 1.478 2.350 ( 0.332 0.000 -1.524) 1.560 2.395 ( 0.122 0.000 1.041) 1.049 2.403 ( -1.367 0.000 0.925) 1.650 2.414 ( 1.165 0.000 -0.487) 1.263 2.464 ( 3.477 0.000 -3.969) 5.276 2.466 ( -0.359 0.000 -1.976) 2.008 2.508 ( -3.576 0.000 0.247) 3.584 2.526 ( 1.723 0.000 -3.857) 4.224 2.590 ( 3.710 0.000 -0.660) 3.769 2.595 ( -0.202 0.000 -0.421) 0.467 2.633 ( -0.244 0.000 0.401) 0.469 2.657 ( 0.793 0.000 -0.547) 0.964 2.745 ( 2.433 0.000 0.506) 2.485 2.755 ( 0.456 -0.000 2.245) 2.291 2.803 ( -1.879 0.000 -2.004) 2.747 2.822 ( -0.084 -0.000 0.732) 0.736 2.848 ( 0.039 0.000 -0.869) 0.870 2.863 ( -0.068 0.000 0.541) 0.545 2.896 ( 0.178 0.000 -2.302) 2.309 2.947 ( -2.205 0.000 -1.605) 2.727 3.015 ( 2.696 0.000 1.797) 3.240 3.041 ( 0.973 0.000 3.570) 3.700 3.066 ( -0.813 0.000 0.845) 1.173 3.112 ( -1.509 0.000 0.767) 1.692 4.198 ( 4.072 0.000 -0.056) 4.073 4.226 ( 4.968 0.000 0.363) 4.981 4.241 ( 3.921 0.000 -1.050) 4.059 4.270 ( 4.550 0.000 -1.314) 4.735 4.283 ( 0.329 0.000 1.567) 1.602 4.353 ( 2.779 0.000 1.829) 3.327 4.377 ( 0.719 0.000 -1.894) 2.026 4.407 ( -1.787 -0.000 0.253) 1.805 4.421 ( 0.174 0.000 1.733) 1.742 4.432 ( 3.853 0.000 0.779) 3.931 4.511 ( 5.580 0.000 -1.246) 5.718 4.536 ( 0.528 0.000 -2.096) 2.161 4.570 ( 1.173 0.000 1.443) 1.860 4.577 ( -1.386 -0.000 -1.314) 1.910 4.624 ( 0.204 0.000 -1.756) 1.768 4.649 ( -0.771 0.000 -1.195) 1.422 4.701 ( 0.612 0.000 2.532) 2.605 4.750 ( 0.809 0.000 1.980) 2.139 4.790 ( -0.148 -0.000 -0.163) 0.220 4.812 ( -1.660 0.000 2.492) 2.994 4.866 ( 0.935 0.000 -3.654) 3.772 4.872 ( 1.414 0.000 -2.442) 2.821 4.952 ( -1.492 0.000 -5.382) 5.585 5.028 ( -2.803 0.000 -3.560) 4.531 5.143 ( 4.804 0.000 4.135) 6.338 5.159 ( 3.787 0.000 3.616) 5.236 5.265 ( 4.617 0.000 -1.125) 4.752 5.290 ( 4.033 0.000 -1.041) 4.165 5.339 ( 1.626 0.000 1.557) 2.252 5.376 ( 0.393 -0.000 0.738) 0.835 5.406 ( -0.045 0.000 5.880) 5.880 5.411 ( 0.887 -0.000 0.872) 1.244 5.424 ( -2.939 0.000 -1.750) 3.421 5.436 ( -0.741 0.000 1.284) 1.483 5.512 ( -0.527 -0.000 1.926) 1.996 5.530 ( -3.409 0.000 1.732) 3.824 5.629 ( -0.677 0.000 -4.256) 4.310 5.668 ( -3.121 0.000 -2.778) 4.178 5.698 ( -1.605 0.000 -4.666) 4.934 5.731 ( -1.181 -0.000 -2.448) 2.718 6.021 ( 2.842 0.000 2.507) 3.790 6.085 ( 1.890 0.000 3.719) 4.172 6.150 ( -2.158 0.000 -1.017) 2.385 6.192 ( -4.201 0.000 4.424) 6.101 6.300 ( -1.542 0.000 2.381) 2.837 6.312 ( -2.521 0.000 0.130) 2.525 6.356 ( 1.844 0.000 -4.753) 5.098 6.475 ( -3.364 0.000 -0.667) 3.429 6.561 ( 3.156 0.000 -0.827) 3.263 6.569 ( 1.938 0.000 -2.525) 3.182 6.615 ( 3.355 0.000 -0.695) 3.426 6.636 ( 1.574 0.000 -0.078) 1.576 6.651 ( 2.647 0.000 -1.276) 2.938 6.714 ( 1.343 0.000 -6.786) 6.917 6.733 ( -0.748 0.000 -0.478) 0.888 6.769 ( -0.640 0.000 -1.919) 2.023 6.885 ( 4.169 0.000 1.646) 4.482 6.925 ( 5.062 -0.000 2.648) 5.713 6.932 ( 1.457 0.000 -0.616) 1.582 6.957 ( 3.880 0.000 1.449) 4.142 7.022 ( 1.834 0.000 -0.946) 2.063 7.072 ( 0.144 0.000 0.333) 0.363 7.093 ( -1.262 -0.000 2.728) 3.006 7.127 ( -3.357 -0.000 -1.194) 3.563 7.147 ( 3.449 0.000 3.696) 5.055 7.196 ( 0.814 0.000 1.151) 1.410 7.229 ( -2.821 -0.000 1.486) 3.188 7.237 ( -2.399 0.000 -1.907) 3.065 7.246 ( 0.255 0.000 0.579) 0.633 7.266 ( 0.716 0.000 2.359) 2.465 7.289 ( 2.879 0.000 -3.862) 4.818 7.353 ( -2.280 0.000 1.169) 2.562 7.377 ( 2.204 0.000 2.994) 3.718 7.391 ( -2.099 0.000 2.916) 3.593 7.474 ( -3.071 0.000 1.620) 3.472 7.495 ( 2.924 0.000 -0.286) 2.938 7.549 ( -4.951 0.000 2.046) 5.357 7.552 ( -10.038 -0.000 4.786) 11.121 7.597 ( -5.256 0.000 4.930) 7.206 7.667 ( 1.187 0.000 7.598) 7.690 7.702 ( -3.864 0.000 -1.452) 4.128 7.711 ( 0.878 -0.000 -1.825) 2.025 7.773 ( -0.659 0.000 0.878) 1.098 7.827 ( -2.469 -0.000 3.096) 3.960 8.078 ( 0.159 -0.000 -4.961) 4.963 8.122 ( -2.505 0.000 -4.257) 4.939 8.148 ( -1.787 -0.000 -4.910) 5.225 8.171 ( -1.579 0.000 -3.862) 4.173 8.244 ( 1.930 0.000 1.136) 2.239 8.265 ( 1.339 0.000 -0.042) 1.339 8.338 ( 2.551 0.000 -2.109) 3.310 8.352 ( 1.909 0.000 -1.795) 2.620 8.428 ( -5.240 -0.000 4.952) 7.210 8.461 ( -5.972 0.000 4.761) 7.638 8.692 ( -6.612 -0.000 -4.384) 7.933 8.699 ( -6.802 0.000 -3.985) 7.883 13.409 ( 2.746 0.000 0.203) 2.753 13.420 ( 2.774 0.000 0.367) 2.798 13.467 ( 1.855 0.000 0.470) 1.913 13.476 ( 1.432 -0.000 0.250) 1.454 13.553 ( -3.045 0.000 -0.738) 3.134 13.556 ( -2.149 0.000 -0.530) 2.213 13.591 ( -1.713 0.000 -0.657) 1.835 13.620 ( -1.733 0.000 -0.233) 1.749 13.795 ( 1.189 0.000 0.863) 1.469 13.819 ( 0.885 -0.000 1.032) 1.360 13.824 ( 4.257 0.000 1.067) 4.388 13.852 ( -0.073 0.000 1.894) 1.896 13.980 ( -4.675 -0.000 0.269) 4.683 13.987 ( -5.381 0.000 -2.065) 5.763 14.034 ( -6.689 0.000 -0.909) 6.751 14.101 ( -6.727 0.000 -1.133) 6.822 15.468 ( -0.992 -0.000 2.880) 3.046 15.469 ( -0.638 0.000 0.983) 1.172 15.514 ( -0.794 0.000 1.932) 2.089 15.520 ( -0.398 0.000 2.135) 2.172 15.613 ( -0.937 0.000 0.820) 1.245 15.624 ( -0.028 0.000 -0.825) 0.826 15.684 ( -3.788 0.000 -3.507) 5.162 15.759 ( -5.219 0.000 -1.199) 5.355 15.915 ( -0.847 -0.000 0.027) 0.848 15.919 ( -0.950 0.000 0.106) 0.956 15.937 ( -1.701 -0.000 -0.525) 1.780 15.947 ( -1.030 0.000 -0.813) 1.312 15.997 ( -3.618 0.000 1.400) 3.880 15.999 ( -2.825 -0.000 0.573) 2.882 16.045 ( -2.854 -0.000 -1.580) 3.262 16.078 ( -5.287 0.000 -1.237) 5.430 16.432 ( 3.431 0.000 -0.227) 3.439 16.478 ( 3.015 0.000 -1.385) 3.318 16.483 ( 0.968 -0.000 0.093) 0.973 16.502 ( 1.737 0.000 -0.040) 1.738 16.516 ( 1.809 -0.000 0.910) 2.025 16.520 ( 1.296 0.000 1.452) 1.946 16.557 ( 1.258 0.000 -0.743) 1.461 16.573 ( 0.538 0.000 -0.343) 0.638 16.802 ( 4.211 0.000 1.909) 4.623 16.818 ( 3.989 -0.000 2.358) 4.634 16.834 ( 4.950 0.000 0.960) 5.042 16.866 ( 2.928 0.000 2.623) 3.931 16.898 ( 8.222 0.000 -0.873) 8.268 16.927 ( 5.495 0.000 1.328) 5.653 17.093 ( -1.282 0.000 -4.974) 5.136 17.126 ( -1.986 0.000 -4.103) 4.559 ======================= Grid point 55 (24/36) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.599 0.000 -0.909) 1.839 0.956 ( 1.599 0.000 -0.909) 1.839 0.990 ( -3.859 -0.000 1.957) 4.327 0.990 ( 3.859 0.000 1.957) 4.327 1.017 ( -2.892 0.000 -0.860) 3.017 1.017 ( 2.892 0.000 -0.860) 3.017 1.102 ( -2.398 -0.000 3.519) 4.259 1.102 ( 2.398 -0.000 3.519) 4.259 1.139 ( -4.289 0.000 -0.477) 4.315 1.139 ( 4.289 0.000 -0.477) 4.315 1.191 ( -4.105 0.000 3.449) 5.361 1.191 ( 4.105 -0.000 3.449) 5.361 1.223 ( -3.162 0.000 2.147) 3.822 1.223 ( 3.162 -0.000 2.147) 3.822 1.393 ( -1.727 -0.000 -2.496) 3.035 1.393 ( 1.727 0.000 -2.496) 3.035 1.436 ( -1.491 0.000 -2.789) 3.162 1.436 ( 1.491 0.000 -2.789) 3.162 1.460 ( -0.421 0.000 -4.388) 4.408 1.460 ( 0.421 0.000 -4.388) 4.408 1.557 ( -0.045 0.000 0.377) 0.380 1.557 ( 0.045 0.000 0.377) 0.380 1.621 ( -0.437 0.000 2.578) 2.615 1.621 ( 0.437 0.000 2.578) 2.615 1.640 ( -3.204 0.000 1.602) 3.582 1.640 ( 3.204 0.000 1.602) 3.582 1.706 ( -2.177 0.000 1.057) 2.420 1.706 ( 2.177 0.000 1.057) 2.420 1.737 ( -0.470 0.000 -2.121) 2.173 1.737 ( 0.470 0.000 -2.121) 2.173 1.803 ( -0.550 0.000 -3.389) 3.433 1.803 ( 0.550 -0.000 -3.389) 3.433 1.935 ( -0.511 -0.000 1.261) 1.361 1.935 ( 0.511 -0.000 1.261) 1.361 1.963 ( -2.135 0.000 0.363) 2.166 1.963 ( 2.135 0.000 0.363) 2.166 2.073 ( -1.884 0.000 1.260) 2.267 2.073 ( 1.884 0.000 1.260) 2.267 2.108 ( -2.630 0.000 -1.341) 2.952 2.108 ( 2.630 -0.000 -1.341) 2.952 2.212 ( -2.826 -0.000 0.144) 2.830 2.212 ( 2.826 -0.000 0.144) 2.830 2.265 ( -0.208 0.000 -0.551) 0.589 2.265 ( 0.208 0.000 -0.551) 0.589 2.286 ( -1.052 0.000 2.014) 2.272 2.286 ( 1.052 0.000 2.014) 2.272 2.333 ( -0.698 0.000 0.510) 0.864 2.333 ( 0.698 0.000 0.510) 0.864 2.394 ( -1.221 -0.000 -1.239) 1.740 2.394 ( 1.221 0.000 -1.239) 1.740 2.416 ( -4.586 0.000 0.350) 4.599 2.416 ( 4.586 0.000 0.350) 4.599 2.444 ( -1.393 0.000 -2.041) 2.471 2.444 ( 1.393 -0.000 -2.041) 2.471 2.538 ( -2.975 0.000 -3.341) 4.474 2.538 ( 2.975 0.000 -3.341) 4.474 2.608 ( -2.577 0.000 -1.676) 3.074 2.608 ( 2.577 0.000 -1.676) 3.074 2.648 ( -0.958 0.000 -1.541) 1.815 2.648 ( 0.958 0.000 -1.541) 1.815 2.772 ( -0.378 0.000 0.583) 0.695 2.772 ( 0.378 0.000 0.583) 0.695 2.798 ( -1.669 -0.000 2.119) 2.698 2.798 ( 1.669 -0.000 2.119) 2.698 2.872 ( -1.367 0.000 -1.176) 1.803 2.872 ( 1.367 0.000 -1.176) 1.803 2.905 ( -0.738 0.000 -1.560) 1.726 2.905 ( 0.738 0.000 -1.560) 1.726 3.042 ( -0.527 0.000 2.783) 2.832 3.042 ( 0.527 0.000 2.783) 2.832 3.075 ( -1.692 0.000 0.889) 1.911 3.075 ( 1.692 0.000 0.889) 1.911 4.247 ( -1.483 0.000 0.918) 1.745 4.247 ( 1.483 0.000 0.918) 1.745 4.315 ( -1.353 -0.000 -1.419) 1.960 4.315 ( 1.353 0.000 -1.419) 1.960 4.343 ( -3.303 0.000 0.675) 3.371 4.343 ( 3.303 0.000 0.675) 3.371 4.368 ( -0.907 0.000 0.320) 0.962 4.368 ( 0.907 0.000 0.320) 0.962 4.463 ( -1.721 0.000 1.414) 2.227 4.463 ( 1.721 0.000 1.414) 2.227 4.549 ( -0.906 0.000 -1.052) 1.389 4.549 ( 0.906 0.000 -1.052) 1.389 4.606 ( -1.502 0.000 -0.990) 1.799 4.606 ( 1.502 0.000 -0.990) 1.799 4.619 ( -3.079 -0.000 -1.680) 3.508 4.619 ( 3.079 0.000 -1.680) 3.508 4.737 ( -3.716 -0.000 2.273) 4.356 4.737 ( 3.716 -0.000 2.273) 4.356 4.766 ( -1.135 0.000 1.648) 2.001 4.766 ( 1.135 0.000 1.648) 2.001 4.912 ( -2.231 0.000 -4.494) 5.018 4.912 ( 2.231 -0.000 -4.494) 5.018 4.940 ( -5.485 0.000 -4.859) 7.328 4.940 ( 5.485 0.000 -4.859) 7.328 5.248 ( -1.905 0.000 4.673) 5.046 5.248 ( 1.905 0.000 4.673) 5.046 5.334 ( -3.911 0.000 2.384) 4.580 5.334 ( 3.911 0.000 2.384) 4.580 5.354 ( -2.655 0.000 1.655) 3.129 5.354 ( 2.655 0.000 1.655) 3.129 5.396 ( -2.146 0.000 -0.742) 2.271 5.396 ( 2.146 0.000 -0.742) 2.271 5.420 ( -0.266 0.000 1.743) 1.764 5.420 ( 0.266 -0.000 1.743) 1.764 5.474 ( -1.581 0.000 2.552) 3.002 5.474 ( 1.581 0.000 2.552) 3.002 5.623 ( -0.575 0.000 -4.726) 4.761 5.623 ( 0.575 0.000 -4.726) 4.761 5.685 ( -1.805 0.000 -4.719) 5.052 5.685 ( 1.805 0.000 -4.719) 5.052 6.096 ( -3.421 0.000 3.722) 5.056 6.096 ( 3.421 0.000 3.722) 5.056 6.125 ( -0.080 0.000 1.168) 1.171 6.125 ( 0.080 0.000 1.168) 1.171 6.280 ( -0.173 0.000 1.091) 1.104 6.280 ( 0.173 0.000 1.091) 1.104 6.404 ( -3.115 0.000 -2.902) 4.258 6.404 ( 3.115 0.000 -2.902) 4.258 6.599 ( -0.084 0.000 -1.726) 1.729 6.599 ( 0.084 0.000 -1.726) 1.729 6.652 ( -0.181 0.000 -0.977) 0.993 6.652 ( 0.181 0.000 -0.977) 0.993 6.696 ( -1.912 0.000 -0.558) 1.992 6.696 ( 1.912 0.000 -0.558) 1.992 6.751 ( -1.856 0.000 -5.495) 5.800 6.751 ( 1.856 0.000 -5.495) 5.800 6.958 ( -0.543 0.000 0.681) 0.871 6.958 ( 0.543 0.000 0.681) 0.871 6.980 ( -2.454 0.000 0.895) 2.612 6.980 ( 2.454 -0.000 0.895) 2.612 7.054 ( -0.054 0.000 2.451) 2.451 7.054 ( 0.054 0.000 2.451) 2.451 7.069 ( -0.415 0.000 -0.719) 0.830 7.069 ( 0.415 0.000 -0.719) 0.830 7.200 ( -1.298 0.000 1.044) 1.666 7.200 ( 1.298 0.000 1.044) 1.666 7.249 ( -3.044 0.000 1.906) 3.592 7.249 ( 3.044 0.000 1.906) 3.592 7.272 ( -1.973 -0.000 3.222) 3.778 7.272 ( 1.973 0.000 3.222) 3.778 7.334 ( -1.560 0.000 1.808) 2.389 7.334 ( 1.560 -0.000 1.808) 2.389 7.354 ( -0.647 0.000 3.630) 3.687 7.354 ( 0.647 0.000 3.630) 3.687 7.426 ( -4.029 0.000 1.483) 4.294 7.426 ( 4.029 0.000 1.483) 4.294 7.495 ( -2.033 0.000 1.902) 2.784 7.495 ( 2.033 -0.000 1.902) 2.784 7.598 ( -6.018 0.000 -1.810) 6.284 7.598 ( 6.018 -0.000 -1.810) 6.284 7.714 ( -1.852 0.000 3.552) 4.006 7.714 ( 1.852 0.000 3.552) 4.006 7.772 ( -1.990 -0.000 0.881) 2.176 7.772 ( 1.990 -0.000 0.881) 2.176 8.086 ( -0.757 -0.000 -4.883) 4.941 8.086 ( 0.757 0.000 -4.883) 4.941 8.140 ( -1.093 0.000 -5.453) 5.561 8.140 ( 1.093 0.000 -5.453) 5.561 8.283 ( -0.998 -0.000 1.236) 1.588 8.283 ( 0.998 -0.000 1.236) 1.588 8.373 ( -1.371 0.000 4.944) 5.131 8.373 ( 1.371 0.000 4.944) 5.131 8.386 ( -0.325 -0.000 -1.521) 1.555 8.386 ( 0.325 -0.000 -1.521) 1.555 8.612 ( -0.250 0.000 -3.812) 3.820 8.612 ( 0.250 0.000 -3.812) 3.820 13.458 ( -0.531 0.000 0.318) 0.619 13.458 ( 0.531 0.000 0.318) 0.619 13.492 ( -0.836 0.000 1.678) 1.875 13.492 ( 0.836 0.000 1.678) 1.875 13.519 ( -1.746 0.000 -1.331) 2.195 13.519 ( 1.746 0.000 -1.331) 2.195 13.578 ( -0.817 0.000 -0.691) 1.070 13.578 ( 0.817 -0.000 -0.691) 1.070 13.839 ( -1.372 0.000 0.812) 1.595 13.839 ( 1.372 0.000 0.812) 1.595 13.874 ( -4.277 0.000 -1.241) 4.454 13.874 ( 4.277 0.000 -1.241) 4.454 13.920 ( -0.704 -0.000 0.552) 0.895 13.920 ( 0.704 0.000 0.552) 0.895 13.971 ( -4.477 0.000 -0.384) 4.494 13.971 ( 4.477 0.000 -0.384) 4.494 15.460 ( -0.136 0.000 1.258) 1.265 15.460 ( 0.136 0.000 1.258) 1.265 15.511 ( -0.375 0.000 1.892) 1.929 15.511 ( 0.375 0.000 1.892) 1.929 15.610 ( -0.748 0.000 -0.687) 1.016 15.610 ( 0.748 0.000 -0.687) 1.016 15.678 ( -2.540 0.000 -0.858) 2.681 15.678 ( 2.540 0.000 -0.858) 2.681 15.917 ( -0.244 -0.000 0.449) 0.512 15.917 ( 0.244 -0.000 0.449) 0.512 15.923 ( -0.051 0.000 0.355) 0.358 15.923 ( 0.051 0.000 0.355) 0.358 15.980 ( -0.065 0.000 -0.663) 0.666 15.980 ( 0.065 0.000 -0.663) 0.666 16.003 ( -0.588 0.000 -1.563) 1.670 16.003 ( 0.588 0.000 -1.563) 1.670 16.478 ( -1.280 0.000 -0.118) 1.285 16.478 ( 1.280 0.000 -0.118) 1.285 16.513 ( -0.609 0.000 -0.918) 1.102 16.513 ( 0.609 0.000 -0.918) 1.102 16.533 ( -0.004 0.000 1.236) 1.236 16.533 ( 0.004 -0.000 1.236) 1.236 16.574 ( -0.440 0.000 -0.376) 0.579 16.574 ( 0.440 0.000 -0.376) 0.579 16.855 ( -0.501 -0.000 2.857) 2.901 16.855 ( 0.501 -0.000 2.857) 2.901 16.894 ( -0.537 0.000 2.014) 2.085 16.894 ( 0.537 0.000 2.014) 2.085 17.029 ( -2.742 -0.000 -1.898) 3.335 17.029 ( 2.742 -0.000 -1.898) 3.335 17.047 ( -4.125 0.000 -2.716) 4.939 17.047 ( 4.125 0.000 -2.716) 4.939 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 0.000 -10.824) 10.824 0.562 ( 0.000 0.000 10.824) 10.824 0.712 ( 0.000 0.000 -14.812) 14.812 0.712 ( 0.000 0.000 14.812) 14.812 0.910 ( 0.000 0.000 -6.370) 6.370 0.910 ( 0.000 0.000 6.370) 6.370 0.960 ( 0.000 0.000 -14.692) 14.692 0.960 ( 0.000 0.000 14.692) 14.692 1.073 ( 0.000 0.000 -0.611) 0.611 1.073 ( 0.000 0.000 0.611) 0.611 1.118 ( 0.000 0.000 -2.005) 2.005 1.118 ( 0.000 0.000 2.005) 2.005 1.199 ( 0.000 0.000 -1.651) 1.651 1.199 ( 0.000 0.000 1.651) 1.651 1.211 ( 0.000 0.000 -3.748) 3.748 1.211 ( 0.000 0.000 3.748) 3.748 1.255 ( 0.000 0.000 -2.077) 2.077 1.255 ( 0.000 0.000 2.077) 2.077 1.367 ( 0.000 0.000 -5.310) 5.310 1.367 ( 0.000 0.000 5.310) 5.310 1.448 ( 0.000 0.000 -4.725) 4.725 1.448 ( 0.000 0.000 4.725) 4.725 1.597 ( 0.000 0.000 -0.185) 0.185 1.597 ( 0.000 0.000 0.185) 0.185 1.650 ( 0.000 0.000 -0.366) 0.366 1.650 ( 0.000 0.000 0.366) 0.366 1.700 ( 0.000 0.000 -3.312) 3.312 1.700 ( 0.000 0.000 3.312) 3.312 1.718 ( 0.000 0.000 -7.327) 7.327 1.718 ( 0.000 0.000 7.327) 7.327 1.751 ( 0.000 0.000 -1.445) 1.445 1.751 ( 0.000 0.000 1.445) 1.445 1.884 ( 0.000 0.000 -2.896) 2.896 1.884 ( 0.000 0.000 2.896) 2.896 1.906 ( 0.000 0.000 -1.245) 1.245 1.906 ( 0.000 0.000 1.245) 1.245 1.994 ( 0.000 0.000 -0.326) 0.326 1.994 ( 0.000 0.000 0.326) 0.326 2.046 ( 0.000 0.000 -5.072) 5.072 2.046 ( 0.000 0.000 5.072) 5.072 2.091 ( 0.000 0.000 -1.057) 1.057 2.091 ( 0.000 0.000 1.057) 1.057 2.231 ( 0.000 0.000 -3.158) 3.158 2.231 ( 0.000 0.000 3.158) 3.158 2.306 ( 0.000 0.000 -0.677) 0.677 2.306 ( 0.000 0.000 0.677) 0.677 2.362 ( 0.000 0.000 -2.052) 2.052 2.362 ( 0.000 0.000 2.052) 2.052 2.396 ( 0.000 0.000 -3.622) 3.622 2.396 ( 0.000 0.000 3.622) 3.622 2.408 ( 0.000 0.000 -2.791) 2.791 2.408 ( 0.000 0.000 2.791) 2.791 2.463 ( 0.000 0.000 -2.678) 2.678 2.463 ( 0.000 0.000 2.678) 2.678 2.503 ( 0.000 0.000 -3.697) 3.697 2.503 ( 0.000 0.000 3.697) 3.697 2.646 ( 0.000 0.000 -1.864) 1.864 2.646 ( 0.000 0.000 1.864) 1.864 2.656 ( 0.000 0.000 -0.340) 0.340 2.656 ( 0.000 0.000 0.340) 0.340 2.736 ( 0.000 0.000 -6.072) 6.072 2.736 ( 0.000 0.000 6.072) 6.072 2.875 ( 0.000 0.000 -3.333) 3.333 2.875 ( 0.000 0.000 3.333) 3.333 2.900 ( 0.000 0.000 -3.728) 3.728 2.900 ( 0.000 0.000 3.728) 3.728 2.915 ( 0.000 0.000 -4.606) 4.606 2.915 ( 0.000 0.000 4.606) 4.606 3.082 ( 0.000 0.000 -3.139) 3.139 3.082 ( 0.000 0.000 3.139) 3.139 3.086 ( 0.000 0.000 -4.171) 4.171 3.086 ( 0.000 0.000 4.171) 4.171 4.012 ( 0.000 0.000 -2.019) 2.019 4.012 ( 0.000 0.000 2.019) 2.019 4.163 ( 0.000 0.000 -0.041) 0.041 4.163 ( 0.000 0.000 0.041) 0.041 4.294 ( 0.000 0.000 -1.306) 1.306 4.294 ( 0.000 0.000 1.306) 1.306 4.316 ( 0.000 0.000 -2.837) 2.837 4.316 ( 0.000 0.000 2.837) 2.837 4.379 ( 0.000 0.000 -4.161) 4.161 4.379 ( 0.000 0.000 4.161) 4.161 4.506 ( 0.000 0.000 -2.253) 2.253 4.506 ( 0.000 0.000 2.253) 2.253 4.556 ( 0.000 0.000 -2.309) 2.309 4.556 ( 0.000 0.000 2.309) 2.309 4.692 ( 0.000 0.000 -3.039) 3.039 4.692 ( 0.000 0.000 3.039) 3.039 4.755 ( 0.000 0.000 -0.193) 0.193 4.755 ( 0.000 0.000 0.193) 0.193 4.795 ( 0.000 0.000 -0.408) 0.408 4.795 ( 0.000 0.000 0.408) 0.408 4.877 ( 0.000 0.000 -3.293) 3.293 4.877 ( 0.000 0.000 3.293) 3.293 4.910 ( 0.000 0.000 -9.103) 9.103 4.910 ( 0.000 0.000 9.103) 9.103 5.163 ( 0.000 0.000 -2.002) 2.002 5.163 ( 0.000 0.000 2.002) 2.002 5.181 ( 0.000 0.000 -0.707) 0.707 5.181 ( 0.000 0.000 0.707) 0.707 5.295 ( 0.000 0.000 -0.794) 0.794 5.295 ( 0.000 0.000 0.794) 0.794 5.401 ( 0.000 0.000 -2.535) 2.535 5.401 ( 0.000 0.000 2.535) 2.535 5.479 ( 0.000 0.000 -0.725) 0.725 5.479 ( 0.000 0.000 0.725) 0.725 5.534 ( 0.000 0.000 -0.486) 0.486 5.534 ( 0.000 0.000 0.486) 0.486 5.571 ( 0.000 0.000 -1.174) 1.174 5.571 ( 0.000 0.000 1.174) 1.174 5.787 ( 0.000 0.000 -0.387) 0.387 5.787 ( 0.000 0.000 0.387) 0.387 6.001 ( 0.000 0.000 -7.288) 7.288 6.001 ( 0.000 0.000 7.288) 7.288 6.222 ( 0.000 0.000 -5.349) 5.349 6.222 ( 0.000 0.000 5.349) 5.349 6.252 ( 0.000 0.000 -1.387) 1.387 6.252 ( 0.000 0.000 1.387) 1.387 6.424 ( 0.000 0.000 -3.037) 3.037 6.424 ( 0.000 0.000 3.037) 3.037 6.476 ( 0.000 0.000 -0.059) 0.059 6.476 ( 0.000 0.000 0.059) 0.059 6.524 ( 0.000 0.000 -2.708) 2.708 6.524 ( 0.000 0.000 2.708) 2.708 6.572 ( 0.000 0.000 -1.581) 1.581 6.572 ( 0.000 0.000 1.581) 1.581 6.658 ( 0.000 0.000 -3.256) 3.256 6.658 ( 0.000 0.000 3.256) 3.256 6.918 ( 0.000 0.000 -1.127) 1.127 6.918 ( 0.000 0.000 1.127) 1.127 6.950 ( 0.000 0.000 -0.292) 0.292 6.950 ( 0.000 0.000 0.292) 0.292 7.047 ( 0.000 0.000 -1.892) 1.892 7.047 ( 0.000 0.000 1.892) 1.892 7.057 ( 0.000 0.000 -1.254) 1.254 7.057 ( 0.000 0.000 1.254) 1.254 7.100 ( 0.000 0.000 -1.746) 1.746 7.100 ( 0.000 0.000 1.746) 1.746 7.270 ( 0.000 0.000 -2.589) 2.589 7.270 ( 0.000 0.000 2.589) 2.589 7.312 ( 0.000 0.000 -3.902) 3.902 7.312 ( 0.000 0.000 3.902) 3.902 7.426 ( 0.000 0.000 -7.725) 7.725 7.426 ( 0.000 0.000 7.725) 7.725 7.478 ( 0.000 0.000 -4.179) 4.179 7.478 ( 0.000 0.000 4.179) 4.179 7.569 ( 0.000 0.000 -4.887) 4.887 7.569 ( 0.000 0.000 4.887) 4.887 7.641 ( 0.000 0.000 -2.213) 2.213 7.641 ( 0.000 0.000 2.213) 2.213 7.776 ( 0.000 0.000 -0.990) 0.990 7.776 ( 0.000 0.000 0.990) 0.990 7.899 ( 0.000 0.000 -0.956) 0.956 7.899 ( 0.000 0.000 0.956) 0.956 7.950 ( 0.000 0.000 -1.056) 1.056 7.950 ( 0.000 0.000 1.056) 1.056 7.983 ( 0.000 0.000 -9.623) 9.623 7.983 ( 0.000 0.000 9.623) 9.623 8.121 ( 0.000 0.000 -4.274) 4.274 8.121 ( 0.000 0.000 4.274) 4.274 8.243 ( 0.000 0.000 -1.780) 1.780 8.243 ( 0.000 0.000 1.780) 1.780 8.351 ( 0.000 0.000 -3.616) 3.616 8.351 ( 0.000 0.000 3.616) 3.616 8.509 ( 0.000 0.000 -1.720) 1.720 8.509 ( 0.000 0.000 1.720) 1.720 8.850 ( 0.000 0.000 -8.450) 8.450 8.850 ( 0.000 0.000 8.450) 8.450 13.360 ( 0.000 0.000 -2.315) 2.315 13.360 ( 0.000 0.000 2.315) 2.315 13.472 ( 0.000 0.000 -1.474) 1.474 13.472 ( 0.000 0.000 1.474) 1.474 13.558 ( 0.000 0.000 -2.856) 2.856 13.558 ( 0.000 0.000 2.856) 2.856 13.653 ( 0.000 0.000 -5.338) 5.338 13.653 ( 0.000 0.000 5.338) 5.338 13.841 ( 0.000 0.000 -1.254) 1.254 13.841 ( 0.000 0.000 1.254) 1.254 13.859 ( 0.000 0.000 -2.812) 2.812 13.859 ( 0.000 0.000 2.812) 2.812 14.086 ( 0.000 0.000 -2.006) 2.006 14.086 ( 0.000 0.000 2.006) 2.006 14.298 ( 0.000 0.000 -0.196) 0.196 14.298 ( 0.000 0.000 0.196) 0.196 15.535 ( 0.000 0.000 -2.043) 2.043 15.535 ( 0.000 0.000 2.043) 2.043 15.616 ( 0.000 0.000 -3.834) 3.834 15.616 ( 0.000 0.000 3.834) 3.834 15.635 ( 0.000 0.000 -1.096) 1.096 15.635 ( 0.000 0.000 1.096) 1.096 15.840 ( 0.000 0.000 -1.462) 1.462 15.840 ( 0.000 0.000 1.462) 1.462 15.867 ( 0.000 0.000 -0.470) 0.470 15.867 ( 0.000 0.000 0.470) 0.470 16.125 ( 0.000 0.000 -1.339) 1.339 16.125 ( 0.000 0.000 1.339) 1.339 16.133 ( 0.000 0.000 -1.801) 1.801 16.133 ( 0.000 0.000 1.801) 1.801 16.177 ( 0.000 0.000 -1.863) 1.863 16.177 ( 0.000 0.000 1.863) 1.863 16.306 ( 0.000 0.000 -1.040) 1.040 16.306 ( 0.000 0.000 1.040) 1.040 16.393 ( 0.000 0.000 -0.236) 0.236 16.393 ( 0.000 0.000 0.236) 0.236 16.449 ( 0.000 0.000 -3.387) 3.387 16.449 ( 0.000 0.000 3.387) 3.387 16.529 ( 0.000 0.000 -2.251) 2.251 16.529 ( 0.000 0.000 2.251) 2.251 16.636 ( 0.000 0.000 -0.219) 0.219 16.636 ( 0.000 0.000 0.219) 0.219 16.723 ( 0.000 0.000 -1.475) 1.475 16.723 ( 0.000 0.000 1.475) 1.475 16.780 ( 0.000 0.000 -0.673) 0.673 16.780 ( 0.000 0.000 0.673) 0.673 16.990 ( 0.000 0.000 -1.694) 1.694 16.990 ( 0.000 0.000 1.694) 1.694 ======================= Grid point 72 (26/36) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 4.512 0.000 -7.331) 8.608 0.604 ( 4.512 0.000 7.331) 8.608 0.803 ( 6.333 0.000 -11.525) 13.150 0.803 ( 6.333 0.000 11.525) 13.150 0.958 ( 4.998 0.000 -4.808) 6.935 0.958 ( 4.998 0.000 4.808) 6.935 1.057 ( 6.718 0.000 -6.203) 9.143 1.057 ( 6.718 0.000 6.203) 9.143 1.067 ( 0.070 0.000 -0.081) 0.107 1.067 ( 0.070 0.000 0.081) 0.107 1.161 ( 2.939 0.000 -3.115) 4.283 1.161 ( 2.939 0.000 3.115) 4.283 1.195 ( 0.953 0.000 -2.945) 3.095 1.195 ( 0.953 0.000 2.945) 3.095 1.256 ( 0.769 0.000 -1.889) 2.039 1.256 ( 0.769 0.000 1.889) 2.039 1.308 ( 7.088 0.000 -3.505) 7.907 1.308 ( 7.088 0.000 3.505) 7.907 1.380 ( 1.072 0.000 -2.927) 3.117 1.380 ( 1.072 0.000 2.927) 3.117 1.470 ( 2.798 0.000 -6.211) 6.812 1.470 ( 2.798 0.000 6.211) 6.812 1.596 ( -0.520 0.000 -0.035) 0.521 1.596 ( -0.520 0.000 0.035) 0.521 1.634 ( -1.550 0.000 -2.146) 2.647 1.634 ( -1.550 0.000 2.146) 2.647 1.692 ( -1.453 0.000 -5.630) 5.815 1.692 ( -1.453 0.000 5.630) 5.815 1.740 ( -1.307 0.000 -0.777) 1.520 1.740 ( -1.307 0.000 0.777) 1.520 1.766 ( 4.215 0.000 -3.419) 5.427 1.766 ( 4.215 0.000 3.419) 5.427 1.866 ( -1.951 0.000 -1.376) 2.387 1.866 ( -1.951 0.000 1.376) 2.387 1.998 ( 1.121 0.000 -1.758) 2.085 1.998 ( 1.121 0.000 1.758) 2.085 2.007 ( 3.336 0.000 -1.198) 3.545 2.007 ( 3.336 0.000 1.198) 3.545 2.039 ( 6.148 0.000 -0.046) 6.148 2.039 ( 6.148 0.000 0.046) 6.148 2.143 ( 3.642 0.000 -0.017) 3.642 2.143 ( 3.642 0.000 0.017) 3.642 2.204 ( -1.464 0.000 -2.911) 3.258 2.204 ( -1.464 0.000 2.911) 3.258 2.310 ( 0.345 0.000 -0.009) 0.345 2.310 ( 0.345 0.000 0.009) 0.345 2.351 ( -3.120 0.000 -1.575) 3.495 2.351 ( -3.120 0.000 1.575) 3.495 2.378 ( -0.772 0.000 -3.444) 3.529 2.378 ( -0.772 0.000 3.444) 3.529 2.393 ( -1.212 0.000 -2.437) 2.721 2.393 ( -1.212 0.000 2.437) 2.721 2.443 ( -0.053 0.000 -0.889) 0.890 2.443 ( -0.053 0.000 0.889) 0.890 2.507 ( 0.170 0.000 -3.536) 3.540 2.507 ( 0.170 0.000 3.536) 3.540 2.639 ( -0.426 0.000 -0.190) 0.467 2.639 ( -0.426 0.000 0.190) 0.467 2.665 ( 0.576 0.000 -0.421) 0.713 2.665 ( 0.576 0.000 0.421) 0.713 2.748 ( 0.877 0.000 -4.505) 4.590 2.748 ( 0.877 0.000 4.505) 4.590 2.844 ( -1.840 0.000 -1.175) 2.183 2.844 ( -1.840 0.000 1.175) 2.183 2.891 ( -1.286 0.000 -2.409) 2.731 2.891 ( -1.286 0.000 2.409) 2.731 2.912 ( -0.466 0.000 -0.440) 0.641 2.912 ( -0.466 0.000 0.440) 0.641 3.086 ( 0.261 0.000 -2.812) 2.824 3.086 ( 0.261 0.000 2.812) 2.824 3.097 ( 1.184 0.000 -3.963) 4.136 3.097 ( 1.184 0.000 3.963) 4.136 4.066 ( 5.189 0.000 -1.757) 5.479 4.066 ( 5.189 0.000 1.757) 5.479 4.199 ( 2.950 0.000 -0.585) 3.007 4.199 ( 2.950 0.000 0.585) 3.007 4.301 ( 1.034 0.000 -1.476) 1.802 4.301 ( 1.034 0.000 1.476) 1.802 4.332 ( 1.048 0.000 -2.380) 2.600 4.332 ( 1.048 0.000 2.380) 2.600 4.401 ( 2.305 0.000 -2.641) 3.506 4.401 ( 2.305 0.000 2.641) 3.506 4.522 ( 0.903 0.000 -1.452) 1.710 4.522 ( 0.903 0.000 1.452) 1.710 4.545 ( -0.367 0.000 -2.258) 2.288 4.545 ( -0.367 0.000 2.258) 2.288 4.693 ( -0.012 0.000 -2.987) 2.987 4.693 ( -0.012 0.000 2.987) 2.987 4.758 ( -0.117 0.000 -0.483) 0.497 4.758 ( -0.117 0.000 0.483) 0.497 4.797 ( -0.352 0.000 -0.577) 0.676 4.797 ( -0.352 0.000 0.577) 0.676 4.834 ( -1.395 0.000 -4.842) 5.038 4.834 ( -1.395 0.000 4.842) 5.038 4.933 ( 1.255 0.000 -5.049) 5.203 4.933 ( 1.255 0.000 5.049) 5.203 5.162 ( 0.068 0.000 -1.681) 1.682 5.162 ( 0.068 0.000 1.681) 1.682 5.206 ( 2.510 0.000 -1.906) 3.152 5.206 ( 2.510 0.000 1.906) 3.152 5.330 ( 2.697 0.000 -1.220) 2.960 5.330 ( 2.697 0.000 1.220) 2.960 5.418 ( 0.981 0.000 -4.221) 4.333 5.418 ( 0.981 0.000 4.221) 4.333 5.484 ( -0.106 0.000 -0.182) 0.211 5.484 ( -0.106 0.000 0.182) 0.211 5.533 ( -0.322 0.000 -0.120) 0.344 5.533 ( -0.322 0.000 0.120) 0.344 5.574 ( 0.472 0.000 -0.241) 0.530 5.574 ( 0.472 0.000 0.241) 0.530 5.799 ( 0.155 0.000 -0.432) 0.459 5.799 ( 0.155 0.000 0.432) 0.459 6.003 ( 0.336 0.000 -6.712) 6.720 6.003 ( 0.336 0.000 6.712) 6.720 6.207 ( -1.569 0.000 -4.569) 4.831 6.207 ( -1.569 0.000 4.569) 4.831 6.253 ( -0.149 0.000 -1.403) 1.411 6.253 ( -0.149 0.000 1.403) 1.411 6.434 ( 0.620 0.000 -3.780) 3.831 6.434 ( 0.620 0.000 3.780) 3.831 6.503 ( 2.431 0.000 -0.385) 2.461 6.503 ( 2.431 0.000 0.385) 2.461 6.543 ( 1.293 0.000 -2.581) 2.887 6.543 ( 1.293 0.000 2.581) 2.887 6.595 ( 2.236 0.000 -0.065) 2.236 6.595 ( 2.236 0.000 0.065) 2.236 6.661 ( 0.920 0.000 -1.458) 1.724 6.661 ( 0.920 0.000 1.458) 1.724 6.923 ( 1.396 0.000 -1.078) 1.764 6.923 ( 1.396 0.000 1.078) 1.764 6.953 ( 0.094 0.000 -0.153) 0.179 6.953 ( 0.094 0.000 0.153) 0.179 6.975 ( -4.786 0.000 -0.404) 4.803 6.975 ( -4.786 0.000 0.404) 4.803 7.072 ( -1.570 0.000 -0.303) 1.599 7.072 ( -1.570 0.000 0.303) 1.599 7.098 ( 1.943 0.000 -2.806) 3.413 7.098 ( 1.943 0.000 2.806) 3.413 7.254 ( 0.407 0.000 -2.108) 2.147 7.254 ( 0.407 0.000 2.108) 2.147 7.346 ( 0.707 0.000 -1.332) 1.508 7.346 ( 0.707 0.000 1.332) 1.508 7.419 ( -0.949 0.000 -3.647) 3.769 7.419 ( -0.949 0.000 3.647) 3.769 7.488 ( 0.755 0.000 -2.294) 2.415 7.488 ( 0.755 0.000 2.294) 2.415 7.555 ( -1.065 0.000 -2.683) 2.887 7.555 ( -1.065 0.000 2.683) 2.887 7.672 ( 1.871 0.000 -4.011) 4.426 7.672 ( 1.871 0.000 4.011) 4.426 7.729 ( -3.406 0.000 -0.064) 3.407 7.729 ( -3.406 0.000 0.064) 3.407 7.896 ( -0.229 0.000 -0.695) 0.731 7.896 ( -0.229 0.000 0.695) 0.731 7.912 ( -3.161 0.000 -2.757) 4.195 7.912 ( -3.161 0.000 2.757) 4.195 7.975 ( -1.077 0.000 -4.930) 5.046 7.975 ( -1.077 0.000 4.930) 5.046 8.098 ( -1.957 0.000 -3.538) 4.043 8.098 ( -1.957 0.000 3.538) 4.043 8.257 ( -0.385 0.000 -4.481) 4.498 8.257 ( -0.385 0.000 4.481) 4.498 8.331 ( -1.123 0.000 -0.261) 1.153 8.331 ( -1.123 0.000 0.261) 1.153 8.439 ( -5.301 0.000 -1.357) 5.472 8.439 ( -5.301 0.000 1.357) 5.472 8.808 ( -4.077 0.000 -7.935) 8.921 8.808 ( -4.077 0.000 7.935) 8.921 13.377 ( 1.613 0.000 -2.201) 2.729 13.377 ( 1.613 0.000 2.201) 2.729 13.460 ( -0.562 0.000 -1.980) 2.058 13.460 ( -0.562 0.000 1.980) 2.058 13.554 ( -0.529 0.000 -2.149) 2.213 13.554 ( -0.529 0.000 2.149) 2.213 13.642 ( -1.174 0.000 -4.936) 5.074 13.642 ( -1.174 0.000 4.936) 5.074 13.827 ( -1.000 0.000 -0.742) 1.246 13.827 ( -1.000 0.000 0.742) 1.246 13.855 ( -0.025 0.000 -0.244) 0.245 13.855 ( -0.025 0.000 0.244) 0.245 14.042 ( -4.107 0.000 -1.782) 4.476 14.042 ( -4.107 0.000 1.782) 4.476 14.252 ( -4.427 0.000 -0.151) 4.429 14.252 ( -4.427 0.000 0.151) 4.429 15.524 ( -1.037 0.000 -1.226) 1.606 15.524 ( -1.037 0.000 1.226) 1.606 15.599 ( -2.365 0.000 -2.568) 3.491 15.599 ( -2.365 0.000 2.568) 3.491 15.618 ( -0.575 0.000 -2.283) 2.354 15.618 ( -0.575 0.000 2.283) 2.354 15.817 ( -4.041 0.000 -0.685) 4.099 15.817 ( -4.041 0.000 0.685) 4.099 15.838 ( -0.215 0.000 -1.460) 1.476 15.838 ( -0.215 0.000 1.460) 1.476 15.950 ( -8.207 0.000 -4.602) 9.409 15.950 ( -8.207 0.000 4.602) 9.409 16.047 ( -4.723 0.000 -0.005) 4.723 16.047 ( -4.723 0.000 0.005) 4.723 16.247 ( -6.537 0.000 -0.344) 6.546 16.247 ( -6.537 0.000 0.344) 6.546 16.330 ( 6.528 0.000 -0.962) 6.599 16.330 ( 6.528 0.000 0.962) 6.599 16.408 ( 2.626 0.000 -0.663) 2.708 16.408 ( 2.626 0.000 0.663) 2.708 16.545 ( 8.006 0.000 -2.712) 8.453 16.545 ( 8.006 0.000 2.712) 8.453 16.581 ( 2.187 0.000 -1.015) 2.411 16.581 ( 2.187 0.000 1.015) 2.411 16.636 ( -0.057 0.000 -0.076) 0.095 16.636 ( -0.057 0.000 0.076) 0.095 16.780 ( 4.912 0.000 -5.961) 7.725 16.780 ( 4.912 0.000 5.961) 7.725 16.842 ( 5.547 0.000 -0.903) 5.620 16.842 ( 5.547 0.000 0.903) 5.620 17.030 ( 3.037 0.000 -1.674) 3.468 17.030 ( 3.037 0.000 1.674) 3.468 ======================= Grid point 74 (27/36) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 7.945 0.000 -4.734) 9.248 0.734 ( 7.945 0.000 4.734) 9.248 0.921 ( 4.667 0.000 -4.640) 6.581 0.921 ( 4.667 0.000 4.640) 6.581 1.047 ( -0.209 0.000 -0.286) 0.354 1.047 ( -0.209 0.000 0.286) 0.354 1.067 ( 2.211 0.000 -1.076) 2.459 1.067 ( 2.211 0.000 1.076) 2.459 1.140 ( 1.880 0.000 -0.463) 1.936 1.140 ( 1.880 0.000 0.463) 1.936 1.178 ( 0.494 0.000 -2.118) 2.174 1.178 ( 0.494 0.000 2.118) 2.174 1.256 ( 1.871 0.000 -2.812) 3.378 1.256 ( 1.871 0.000 2.812) 3.378 1.269 ( 1.128 0.000 -0.023) 1.129 1.269 ( 1.128 0.000 0.023) 1.129 1.409 ( 1.878 0.000 -0.037) 1.878 1.409 ( 1.878 0.000 0.037) 1.878 1.440 ( 3.676 0.000 -0.845) 3.772 1.440 ( 3.676 0.000 0.845) 3.772 1.562 ( 4.893 0.000 -5.161) 7.112 1.562 ( 4.893 0.000 5.161) 7.112 1.573 ( -0.932 0.000 -0.657) 1.140 1.573 ( -0.932 0.000 0.657) 1.140 1.608 ( -2.122 0.000 -3.125) 3.778 1.608 ( -2.122 0.000 3.125) 3.778 1.661 ( 0.752 0.000 -1.880) 2.025 1.661 ( 0.752 0.000 1.880) 2.025 1.717 ( -1.685 0.000 -0.172) 1.693 1.717 ( -1.685 0.000 0.172) 1.693 1.785 ( -2.634 0.000 -1.202) 2.895 1.785 ( -2.634 0.000 1.202) 2.895 1.834 ( 1.855 0.000 -1.420) 2.336 1.834 ( 1.855 0.000 1.420) 2.336 2.034 ( 1.841 0.000 -1.240) 2.220 2.034 ( 1.841 0.000 1.240) 2.220 2.090 ( 4.441 0.000 -0.825) 4.517 2.090 ( 4.441 0.000 0.825) 4.517 2.140 ( -0.135 0.000 -2.224) 2.228 2.140 ( -0.135 0.000 2.224) 2.228 2.187 ( -0.868 0.000 -5.138) 5.211 2.187 ( -0.868 0.000 5.138) 5.211 2.239 ( 2.790 0.000 -0.469) 2.829 2.239 ( 2.790 0.000 0.469) 2.829 2.293 ( 0.306 0.000 -0.009) 0.306 2.293 ( 0.306 0.000 0.009) 0.306 2.311 ( 3.302 0.000 -2.266) 4.005 2.311 ( 3.302 0.000 2.266) 4.005 2.367 ( -0.035 0.000 -1.361) 1.362 2.367 ( -0.035 0.000 1.361) 1.362 2.407 ( 0.991 0.000 -0.500) 1.110 2.407 ( 0.991 0.000 0.500) 1.110 2.446 ( 0.072 0.000 -0.865) 0.868 2.446 ( 0.072 0.000 0.865) 0.868 2.526 ( 1.544 0.000 -2.903) 3.288 2.526 ( 1.544 0.000 2.903) 3.288 2.612 ( -2.918 0.000 -3.165) 4.305 2.612 ( -2.918 0.000 3.165) 4.305 2.668 ( -0.716 0.000 -1.463) 1.628 2.668 ( -0.716 0.000 1.463) 1.628 2.764 ( 1.570 0.000 -0.746) 1.738 2.764 ( 1.570 0.000 0.746) 1.738 2.833 ( -0.042 0.000 -0.486) 0.487 2.833 ( -0.042 0.000 0.486) 0.487 2.864 ( -0.101 0.000 -1.625) 1.628 2.864 ( -0.101 0.000 1.625) 1.628 2.901 ( -0.603 0.000 -2.403) 2.477 2.901 ( -0.603 0.000 2.403) 2.477 3.090 ( 0.272 0.000 -1.951) 1.970 3.090 ( 0.272 0.000 1.951) 1.970 3.117 ( 0.180 0.000 -1.680) 1.690 3.117 ( 0.180 0.000 1.680) 1.690 4.195 ( 6.742 0.000 -1.090) 6.830 4.195 ( 6.742 0.000 1.090) 6.830 4.260 ( 2.923 0.000 -2.135) 3.620 4.260 ( 2.923 0.000 2.135) 3.620 4.321 ( 0.294 0.000 -2.432) 2.450 4.321 ( 0.294 0.000 2.432) 2.450 4.355 ( 0.839 0.000 -0.924) 1.248 4.355 ( 0.839 0.000 0.924) 1.248 4.448 ( 1.946 0.000 -0.358) 1.979 4.448 ( 1.946 0.000 0.358) 1.979 4.532 ( 0.219 0.000 -0.284) 0.359 4.532 ( 0.219 0.000 0.284) 0.359 4.571 ( 3.016 0.000 -0.449) 3.049 4.571 ( 3.016 0.000 0.449) 3.049 4.674 ( -1.516 0.000 -2.497) 2.921 4.674 ( -1.516 0.000 2.497) 2.921 4.755 ( 0.156 0.000 -2.537) 2.542 4.755 ( 0.156 0.000 2.537) 2.542 4.797 ( 0.068 0.000 -2.552) 2.553 4.797 ( 0.068 0.000 2.552) 2.553 4.822 ( -0.125 0.000 -2.410) 2.413 4.822 ( -0.125 0.000 2.410) 2.413 4.940 ( -1.589 0.000 -2.714) 3.145 4.940 ( -1.589 0.000 2.714) 3.145 5.198 ( 4.795 0.000 -2.932) 5.621 5.198 ( 4.795 0.000 2.932) 5.621 5.287 ( 5.452 0.000 -0.780) 5.507 5.287 ( 5.452 0.000 0.780) 5.507 5.377 ( 1.637 0.000 -1.847) 2.468 5.377 ( 1.637 0.000 1.847) 2.468 5.437 ( 0.770 0.000 -2.809) 2.913 5.437 ( 0.770 0.000 2.809) 2.913 5.458 ( -2.104 0.000 -0.062) 2.105 5.458 ( -2.104 0.000 0.062) 2.105 5.516 ( -1.453 0.000 -0.810) 1.663 5.516 ( -1.453 0.000 0.810) 1.663 5.576 ( -0.655 0.000 -0.628) 0.907 5.576 ( -0.655 0.000 0.628) 0.907 5.744 ( -6.166 0.000 -1.220) 6.286 5.744 ( -6.166 0.000 1.220) 6.286 6.022 ( 1.623 0.000 -5.038) 5.293 6.022 ( 1.623 0.000 5.038) 5.293 6.150 ( -3.955 0.000 -0.137) 3.958 6.150 ( -3.955 0.000 0.137) 3.958 6.264 ( 1.919 0.000 -2.303) 2.998 6.264 ( 1.919 0.000 2.303) 2.998 6.413 ( -3.146 0.000 -4.445) 5.446 6.413 ( -3.146 0.000 4.445) 5.446 6.552 ( 2.030 0.000 -0.434) 2.076 6.552 ( 2.030 0.000 0.434) 2.076 6.572 ( 1.513 0.000 -1.304) 1.997 6.572 ( 1.513 0.000 1.304) 1.997 6.640 ( 2.289 0.000 -1.118) 2.548 6.640 ( 2.289 0.000 1.118) 2.548 6.700 ( 1.275 0.000 -0.517) 1.376 6.700 ( 1.275 0.000 0.517) 1.376 6.910 ( -0.571 0.000 -1.066) 1.209 6.910 ( -0.571 0.000 1.066) 1.209 6.953 ( 0.980 0.000 -0.404) 1.060 6.953 ( 0.980 0.000 0.404) 1.060 6.998 ( 1.670 0.000 -2.260) 2.810 6.998 ( 1.670 0.000 2.260) 2.810 7.043 ( 3.639 0.000 -1.995) 4.150 7.043 ( 3.639 0.000 1.995) 4.150 7.169 ( 4.440 0.000 -2.237) 4.971 7.169 ( 4.440 0.000 2.237) 4.971 7.261 ( -2.618 0.000 -0.573) 2.680 7.261 ( -2.618 0.000 0.573) 2.680 7.320 ( -0.706 0.000 -1.085) 1.295 7.320 ( -0.706 0.000 1.085) 1.295 7.388 ( -2.715 0.000 -0.750) 2.817 7.388 ( -2.715 0.000 0.750) 2.817 7.466 ( -3.181 0.000 -3.441) 4.686 7.466 ( -3.181 0.000 3.441) 4.686 7.552 ( -1.367 0.000 -1.035) 1.715 7.552 ( -1.367 0.000 1.035) 1.715 7.608 ( -1.619 0.000 -0.629) 1.737 7.608 ( -1.619 0.000 0.629) 1.737 7.772 ( 2.989 0.000 -1.874) 3.528 7.772 ( 2.989 0.000 1.874) 3.528 7.823 ( -4.510 0.000 -1.665) 4.807 7.823 ( -4.510 0.000 1.665) 4.807 7.895 ( -0.106 0.000 -0.359) 0.375 7.895 ( -0.106 0.000 0.359) 0.375 7.962 ( 0.557 0.000 -1.326) 1.439 7.962 ( 0.557 0.000 1.326) 1.439 8.057 ( -2.020 0.000 -1.432) 2.476 8.057 ( -2.020 0.000 1.432) 2.476 8.198 ( -3.963 0.000 -3.890) 5.553 8.198 ( -3.963 0.000 3.890) 5.553 8.245 ( -6.742 0.000 -3.245) 7.482 8.245 ( -6.742 0.000 3.245) 7.482 8.443 ( 4.933 0.000 -3.323) 5.947 8.443 ( 4.933 0.000 3.323) 5.947 8.699 ( -6.438 0.000 -6.656) 9.260 8.699 ( -6.438 0.000 6.656) 9.260 13.419 ( 2.419 0.000 -1.437) 2.813 13.419 ( 2.419 0.000 1.437) 2.813 13.471 ( 1.684 0.000 -1.652) 2.359 13.471 ( 1.684 0.000 1.652) 2.359 13.532 ( -1.606 0.000 -0.900) 1.841 13.532 ( -1.606 0.000 0.900) 1.841 13.604 ( -2.593 0.000 -3.317) 4.210 13.604 ( -2.593 0.000 3.317) 4.210 13.805 ( -0.313 0.000 -1.487) 1.519 13.805 ( -0.313 0.000 1.487) 1.519 13.890 ( 3.043 0.000 -0.407) 3.071 13.890 ( 3.043 0.000 0.407) 3.071 13.942 ( -4.882 0.000 -1.051) 4.994 13.942 ( -4.882 0.000 1.051) 4.994 14.135 ( -6.792 0.000 -0.127) 6.793 14.135 ( -6.792 0.000 0.127) 6.793 15.503 ( -0.740 0.000 -0.441) 0.861 15.503 ( -0.740 0.000 0.441) 0.861 15.544 ( -2.621 0.000 -2.268) 3.466 15.544 ( -2.621 0.000 2.268) 3.466 15.619 ( 0.827 0.000 -2.327) 2.469 15.619 ( 0.827 0.000 2.327) 2.469 15.729 ( -4.394 0.000 -2.730) 5.173 15.729 ( -4.394 0.000 2.730) 5.173 15.832 ( -0.381 0.000 -1.292) 1.347 15.832 ( -0.381 0.000 1.292) 1.347 15.849 ( -2.210 0.000 -0.822) 2.358 15.849 ( -2.210 0.000 0.822) 2.358 15.991 ( -0.730 0.000 -0.293) 0.786 15.991 ( -0.730 0.000 0.293) 0.786 16.111 ( -6.183 0.000 -0.371) 6.195 16.111 ( -6.183 0.000 0.371) 6.195 16.422 ( 2.845 0.000 -0.823) 2.962 16.422 ( 2.845 0.000 0.823) 2.962 16.448 ( 1.170 0.000 -0.597) 1.314 16.448 ( 1.170 0.000 0.597) 1.314 16.608 ( 0.936 0.000 -0.048) 0.937 16.608 ( 0.936 0.000 0.048) 0.937 16.633 ( -0.277 0.000 -0.071) 0.286 16.633 ( -0.277 0.000 0.071) 0.286 16.714 ( 7.907 0.000 -2.847) 8.404 16.714 ( 7.907 0.000 2.847) 8.404 16.860 ( 1.831 0.000 -6.527) 6.779 16.860 ( 1.831 0.000 6.527) 6.779 16.964 ( 5.905 0.000 -0.670) 5.943 16.964 ( 5.905 0.000 0.670) 5.943 17.074 ( 0.862 0.000 -1.167) 1.451 17.074 ( 0.862 0.000 1.167) 1.451 ======================= Grid point 76 (28/36) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.885 0.000 -3.655) 7.795 0.893 ( 6.885 0.000 -3.655) 7.795 0.893 ( -6.885 0.000 3.655) 7.795 0.893 ( 6.885 0.000 3.655) 7.795 1.066 ( -2.511 0.000 -1.954) 3.182 1.066 ( 2.511 0.000 -1.954) 3.182 1.066 ( -2.511 0.000 1.954) 3.182 1.066 ( 2.511 0.000 1.954) 3.182 1.177 ( -1.636 0.000 -1.261) 2.066 1.177 ( 1.636 0.000 -1.261) 2.066 1.177 ( -1.636 0.000 1.261) 2.066 1.177 ( 1.636 0.000 1.261) 2.066 1.278 ( -0.807 0.000 -0.423) 0.911 1.278 ( 0.807 0.000 -0.423) 0.911 1.278 ( -0.807 0.000 0.423) 0.911 1.278 ( 0.807 0.000 0.423) 0.911 1.446 ( -1.800 0.000 -0.843) 1.987 1.446 ( 1.800 0.000 -0.843) 1.987 1.446 ( -1.800 0.000 0.843) 1.987 1.446 ( 1.800 0.000 0.843) 1.987 1.563 ( -1.608 0.000 -2.200) 2.725 1.563 ( 1.608 0.000 -2.200) 2.725 1.563 ( -1.608 0.000 2.200) 2.725 1.563 ( 1.608 0.000 2.200) 2.725 1.658 ( -3.766 0.000 -1.624) 4.101 1.658 ( 3.766 0.000 -1.624) 4.101 1.658 ( -3.766 0.000 1.624) 4.101 1.658 ( 3.766 0.000 1.624) 4.101 1.710 ( -3.483 0.000 -0.057) 3.483 1.710 ( -3.483 0.000 0.057) 3.483 1.710 ( 3.483 0.000 -0.057) 3.483 1.710 ( 3.483 0.000 0.057) 3.483 1.973 ( -8.916 0.000 -6.038) 10.769 1.973 ( 8.916 0.000 -6.038) 10.769 1.973 ( -8.916 0.000 6.038) 10.769 1.973 ( 8.916 0.000 6.038) 10.769 2.107 ( -1.391 0.000 -3.418) 3.690 2.107 ( 1.391 0.000 -3.418) 3.690 2.107 ( -1.391 0.000 3.418) 3.690 2.107 ( 1.391 0.000 3.418) 3.690 2.228 ( -3.058 0.000 -1.814) 3.556 2.228 ( 3.058 0.000 -1.814) 3.556 2.228 ( -3.058 0.000 1.814) 3.556 2.228 ( 3.058 0.000 1.814) 3.556 2.350 ( -1.058 0.000 -0.631) 1.232 2.350 ( 1.058 0.000 -0.631) 1.232 2.350 ( -1.058 0.000 0.631) 1.232 2.350 ( 1.058 0.000 0.631) 1.232 2.407 ( -3.768 0.000 -0.685) 3.829 2.407 ( -3.768 0.000 0.685) 3.829 2.407 ( 3.768 0.000 -0.685) 3.829 2.407 ( 3.768 0.000 0.685) 3.829 2.469 ( -5.343 0.000 -2.554) 5.922 2.469 ( 5.343 0.000 -2.554) 5.922 2.469 ( -5.343 0.000 2.554) 5.922 2.469 ( 5.343 0.000 2.554) 5.922 2.623 ( -3.216 0.000 -1.250) 3.450 2.623 ( 3.216 0.000 -1.250) 3.450 2.623 ( -3.216 0.000 1.250) 3.450 2.623 ( 3.216 0.000 1.250) 3.450 2.811 ( -2.053 0.000 -0.309) 2.076 2.811 ( -2.053 0.000 0.309) 2.076 2.811 ( 2.053 0.000 -0.309) 2.076 2.811 ( 2.053 0.000 0.309) 2.076 2.886 ( -1.103 0.000 -0.845) 1.389 2.886 ( 1.103 0.000 -0.845) 1.389 2.886 ( -1.103 0.000 0.845) 1.389 2.886 ( 1.103 0.000 0.845) 1.389 3.103 ( -1.050 0.000 -0.654) 1.237 3.103 ( 1.050 0.000 -0.654) 1.237 3.103 ( -1.050 0.000 0.654) 1.237 3.103 ( 1.050 0.000 0.654) 1.237 4.292 ( -2.169 0.000 -1.948) 2.915 4.292 ( 2.169 0.000 -1.948) 2.915 4.292 ( -2.169 0.000 1.948) 2.915 4.292 ( 2.169 0.000 1.948) 2.915 4.331 ( -2.809 0.000 -1.614) 3.240 4.331 ( 2.809 0.000 -1.614) 3.240 4.331 ( -2.809 0.000 1.614) 3.240 4.331 ( 2.809 0.000 1.614) 3.240 4.503 ( -2.895 0.000 -0.179) 2.900 4.503 ( -2.895 0.000 0.179) 2.900 4.503 ( 2.895 0.000 -0.179) 2.900 4.503 ( 2.895 0.000 0.179) 2.900 4.640 ( -2.749 0.000 -0.361) 2.772 4.640 ( -2.749 0.000 0.361) 2.772 4.640 ( 2.749 0.000 -0.361) 2.772 4.640 ( 2.749 0.000 0.361) 2.772 4.769 ( -1.398 0.000 -3.873) 4.117 4.769 ( 1.398 0.000 -3.873) 4.117 4.769 ( -1.398 0.000 3.873) 4.117 4.769 ( 1.398 0.000 3.873) 4.117 4.871 ( -4.048 0.000 -1.950) 4.493 4.871 ( 4.048 0.000 -1.950) 4.493 4.871 ( -4.048 0.000 1.950) 4.493 4.871 ( 4.048 0.000 1.950) 4.493 5.337 ( -6.648 0.000 -2.674) 7.166 5.337 ( 6.648 0.000 -2.674) 7.166 5.337 ( -6.648 0.000 2.674) 7.166 5.337 ( 6.648 0.000 2.674) 7.166 5.392 ( -2.883 0.000 -0.478) 2.922 5.392 ( -2.883 0.000 0.478) 2.922 5.392 ( 2.883 0.000 -0.478) 2.922 5.392 ( 2.883 0.000 0.478) 2.922 5.478 ( -2.079 0.000 -2.700) 3.408 5.478 ( 2.079 0.000 -2.700) 3.408 5.478 ( -2.079 0.000 2.700) 3.408 5.478 ( 2.079 0.000 2.700) 3.408 5.601 ( -5.409 0.000 -2.843) 6.110 5.601 ( 5.409 0.000 -2.843) 6.110 5.601 ( -5.409 0.000 2.843) 6.110 5.601 ( 5.409 0.000 2.843) 6.110 6.072 ( -3.397 0.000 -2.872) 4.448 6.072 ( 3.397 0.000 -2.872) 4.448 6.072 ( -3.397 0.000 2.872) 4.448 6.072 ( 3.397 0.000 2.872) 4.448 6.331 ( -4.306 0.000 -3.914) 5.819 6.331 ( 4.306 0.000 -3.914) 5.819 6.331 ( -4.306 0.000 3.914) 5.819 6.331 ( 4.306 0.000 3.914) 5.819 6.581 ( -0.701 0.000 -1.005) 1.225 6.581 ( 0.701 0.000 -1.005) 1.225 6.581 ( -0.701 0.000 1.005) 1.225 6.581 ( 0.701 0.000 1.005) 1.225 6.687 ( -1.997 0.000 -0.841) 2.167 6.687 ( 1.997 0.000 -0.841) 2.167 6.687 ( -1.997 0.000 0.841) 2.167 6.687 ( 1.997 0.000 0.841) 2.167 6.928 ( -1.928 0.000 -0.368) 1.963 6.928 ( -1.928 0.000 0.368) 1.963 6.928 ( 1.928 0.000 -0.368) 1.963 6.928 ( 1.928 0.000 0.368) 1.963 7.085 ( -5.642 0.000 -1.314) 5.793 7.085 ( -5.642 0.000 1.314) 5.793 7.085 ( 5.642 0.000 -1.314) 5.793 7.085 ( 5.642 0.000 1.314) 5.793 7.235 ( -5.922 0.000 -0.768) 5.972 7.235 ( -5.922 0.000 0.768) 5.972 7.235 ( 5.922 0.000 -0.768) 5.972 7.235 ( 5.922 0.000 0.768) 5.972 7.301 ( -3.862 0.000 -1.133) 4.025 7.301 ( -3.862 0.000 1.133) 4.025 7.301 ( 3.862 0.000 -1.133) 4.025 7.301 ( 3.862 0.000 1.133) 4.025 7.471 ( -3.857 0.000 -4.303) 5.778 7.471 ( 3.857 0.000 -4.303) 5.778 7.471 ( -3.857 0.000 4.303) 5.778 7.471 ( 3.857 0.000 4.303) 5.778 7.680 ( -5.965 0.000 -1.787) 6.227 7.680 ( -5.965 0.000 1.787) 6.227 7.680 ( 5.965 0.000 -1.787) 6.227 7.680 ( 5.965 0.000 1.787) 6.227 7.866 ( -2.956 0.000 -2.086) 3.618 7.866 ( 2.956 0.000 -2.086) 3.618 7.866 ( -2.956 0.000 2.086) 3.618 7.866 ( 2.956 0.000 2.086) 3.618 8.009 ( -3.157 0.000 -1.462) 3.479 8.009 ( 3.157 0.000 -1.462) 3.479 8.009 ( -3.157 0.000 1.462) 3.479 8.009 ( 3.157 0.000 1.462) 3.479 8.155 ( -0.964 0.000 -0.741) 1.216 8.155 ( 0.964 0.000 -0.741) 1.216 8.155 ( -0.964 0.000 0.741) 1.216 8.155 ( 0.964 0.000 0.741) 1.216 8.564 ( -6.706 0.000 -5.066) 8.404 8.564 ( 6.706 0.000 -5.066) 8.404 8.564 ( -6.706 0.000 5.066) 8.404 8.564 ( 6.706 0.000 5.066) 8.404 13.470 ( -2.424 0.000 -0.581) 2.492 13.470 ( -2.424 0.000 0.581) 2.492 13.470 ( 2.424 0.000 -0.581) 2.492 13.470 ( 2.424 0.000 0.581) 2.492 13.543 ( -3.096 0.000 -1.702) 3.533 13.543 ( 3.096 0.000 -1.702) 3.533 13.543 ( -3.096 0.000 1.702) 3.533 13.543 ( 3.096 0.000 1.702) 3.533 13.838 ( -3.570 0.000 -1.326) 3.808 13.838 ( 3.570 0.000 -1.326) 3.808 13.838 ( -3.570 0.000 1.326) 3.808 13.838 ( 3.570 0.000 1.326) 3.808 13.999 ( -6.281 0.000 -0.361) 6.291 13.999 ( -6.281 0.000 0.361) 6.291 13.999 ( 6.281 0.000 -0.361) 6.291 13.999 ( 6.281 0.000 0.361) 6.291 15.505 ( -1.078 0.000 -1.720) 2.030 15.505 ( 1.078 0.000 -1.720) 2.030 15.505 ( -1.078 0.000 1.720) 2.030 15.505 ( 1.078 0.000 1.720) 2.030 15.655 ( -2.798 0.000 -2.835) 3.983 15.655 ( 2.798 0.000 -2.835) 3.983 15.655 ( -2.798 0.000 2.835) 3.983 15.655 ( 2.798 0.000 2.835) 3.983 15.829 ( -0.288 0.000 -0.899) 0.944 15.829 ( 0.288 0.000 -0.899) 0.944 15.829 ( -0.288 0.000 0.899) 0.944 15.829 ( 0.288 0.000 0.899) 0.944 16.016 ( -3.121 0.000 -0.518) 3.163 16.016 ( -3.121 0.000 0.518) 3.163 16.016 ( 3.121 0.000 -0.518) 3.163 16.016 ( 3.121 0.000 0.518) 3.163 16.454 ( -0.560 0.000 -0.665) 0.870 16.454 ( 0.560 0.000 -0.665) 0.870 16.454 ( -0.560 0.000 0.665) 0.870 16.454 ( 0.560 0.000 0.665) 0.870 16.624 ( -0.641 0.000 -0.006) 0.641 16.624 ( -0.641 0.000 0.006) 0.641 16.624 ( 0.641 0.000 -0.006) 0.641 16.624 ( 0.641 0.000 0.006) 0.641 16.837 ( -3.948 0.000 -4.320) 5.852 16.837 ( 3.948 0.000 -4.320) 5.852 16.837 ( -3.948 0.000 4.320) 5.852 16.837 ( 3.948 0.000 4.320) 5.852 17.055 ( -2.856 0.000 -0.191) 2.862 17.055 ( -2.856 0.000 0.191) 2.862 17.055 ( 2.856 0.000 -0.191) 2.862 17.055 ( 2.856 0.000 0.191) 2.862 ======================= Grid point 84 (29/36) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 7.062 -9.761) 12.048 0.644 ( 0.000 7.062 9.761) 12.048 0.758 ( 0.000 4.678 -13.309) 14.107 0.758 ( 0.000 4.678 13.309) 14.107 0.885 ( 0.000 -3.126 -6.619) 7.320 0.885 ( 0.000 -3.126 6.619) 7.320 1.006 ( 0.000 0.714 -8.319) 8.350 1.006 ( 0.000 0.714 8.320) 8.350 1.048 ( 0.000 -1.685 -3.190) 3.608 1.048 ( 0.000 -1.685 3.190) 3.608 1.057 ( 0.000 -6.666 -5.321) 8.530 1.057 ( 0.000 -6.666 5.321) 8.530 1.200 ( 0.000 7.523 -1.077) 7.600 1.200 ( 0.000 7.523 1.077) 7.600 1.238 ( 0.000 2.396 -3.004) 3.843 1.238 ( 0.000 2.396 3.004) 3.843 1.324 ( 0.000 2.748 -1.554) 3.157 1.324 ( 0.000 2.748 1.554) 3.157 1.407 ( 0.000 4.497 -6.085) 7.566 1.407 ( 0.000 4.497 6.085) 7.566 1.456 ( 0.000 0.389 -4.008) 4.027 1.456 ( 0.000 0.389 4.008) 4.027 1.611 ( 0.000 1.511 -1.123) 1.883 1.611 ( 0.000 1.511 1.123) 1.883 1.619 ( 0.000 -3.951 -1.821) 4.350 1.619 ( 0.000 -3.951 1.821) 4.350 1.704 ( 0.000 0.626 -4.210) 4.257 1.704 ( 0.000 0.626 4.210) 4.257 1.730 ( 0.000 0.746 -5.091) 5.145 1.730 ( 0.000 0.746 5.091) 5.145 1.741 ( 0.000 -1.294 -2.473) 2.791 1.741 ( 0.000 -1.294 2.473) 2.791 1.900 ( 0.000 0.962 -2.584) 2.757 1.900 ( 0.000 0.962 2.584) 2.757 1.929 ( 0.000 1.583 -1.126) 1.942 1.929 ( 0.000 1.583 1.126) 1.942 2.028 ( 0.000 3.293 -1.903) 3.803 2.028 ( 0.000 3.293 1.903) 3.803 2.063 ( 0.000 2.084 -5.808) 6.170 2.063 ( 0.000 2.084 5.808) 6.170 2.083 ( 0.000 -1.052 -2.647) 2.848 2.083 ( 0.000 -1.052 2.647) 2.848 2.146 ( 0.000 -5.601 -1.319) 5.754 2.146 ( 0.000 -5.601 1.319) 5.754 2.329 ( 0.000 -3.664 -2.471) 4.419 2.329 ( 0.000 -3.664 2.471) 4.419 2.330 ( 0.000 0.196 -0.497) 0.534 2.330 ( 0.000 0.196 0.497) 0.534 2.407 ( 0.000 0.861 -2.516) 2.659 2.407 ( 0.000 0.861 2.516) 2.659 2.416 ( 0.000 1.200 -0.784) 1.434 2.416 ( 0.000 1.200 0.784) 1.434 2.458 ( 0.000 -0.312 -0.952) 1.002 2.458 ( 0.000 -0.312 0.952) 1.002 2.484 ( 0.000 -0.990 -1.686) 1.956 2.484 ( 0.000 -0.990 1.686) 1.956 2.631 ( 0.000 -1.634 -1.129) 1.986 2.631 ( 0.000 -1.634 1.129) 1.986 2.634 ( 0.000 -1.627 -2.389) 2.890 2.634 ( 0.000 -1.627 2.389) 2.890 2.741 ( 0.000 0.960 -4.947) 5.039 2.741 ( 0.000 0.960 4.947) 5.039 2.851 ( 0.000 -4.141 -4.568) 6.165 2.851 ( 0.000 -4.141 4.568) 6.165 2.887 ( 0.000 1.032 -3.537) 3.684 2.887 ( 0.000 1.032 3.537) 3.684 2.923 ( 0.000 -0.177 -4.028) 4.032 2.923 ( 0.000 -0.177 4.028) 4.032 3.069 ( 0.000 -1.206 -3.782) 3.970 3.069 ( 0.000 -1.206 3.782) 3.970 3.075 ( 0.000 -0.689 -2.932) 3.012 3.075 ( 0.000 -0.689 2.932) 3.012 4.034 ( 0.000 2.294 -1.821) 2.929 4.034 ( 0.000 2.294 1.821) 2.929 4.141 ( 0.000 -2.188 -0.832) 2.341 4.141 ( 0.000 -2.188 0.832) 2.341 4.296 ( 0.000 0.265 -1.876) 1.895 4.296 ( 0.000 0.265 1.876) 1.895 4.313 ( 0.000 -0.279 -2.665) 2.680 4.313 ( 0.000 -0.279 2.665) 2.680 4.393 ( 0.000 1.370 -4.307) 4.520 4.393 ( 0.000 1.370 4.307) 4.520 4.473 ( 0.000 -2.599 -2.208) 3.410 4.473 ( 0.000 -2.599 2.208) 3.410 4.582 ( 0.000 2.282 -0.882) 2.447 4.582 ( 0.000 2.282 0.882) 2.447 4.705 ( 0.000 -3.805 -1.379) 4.048 4.705 ( 0.000 -3.805 1.379) 4.048 4.717 ( 0.000 2.444 -2.722) 3.658 4.717 ( 0.000 2.444 2.722) 3.658 4.803 ( 0.000 -0.531 -2.175) 2.239 4.803 ( 0.000 -0.531 2.175) 2.239 4.884 ( 0.000 0.887 -4.510) 4.596 4.884 ( 0.000 0.887 4.510) 4.596 4.909 ( 0.000 -0.083 -8.487) 8.488 4.909 ( 0.000 -0.083 8.487) 8.488 5.152 ( 0.000 -0.856 -2.225) 2.384 5.152 ( 0.000 -0.856 2.225) 2.384 5.166 ( 0.000 -1.355 -0.898) 1.626 5.166 ( 0.000 -1.355 0.898) 1.626 5.312 ( 0.000 1.621 -0.966) 1.887 5.312 ( 0.000 1.621 0.966) 1.887 5.381 ( 0.000 -1.726 -0.915) 1.953 5.381 ( 0.000 -1.726 0.915) 1.953 5.501 ( 0.000 1.951 -1.967) 2.770 5.501 ( 0.000 1.951 1.967) 2.770 5.536 ( 0.000 0.164 -1.672) 1.680 5.536 ( 0.000 0.164 1.672) 1.680 5.578 ( 0.000 0.897 -1.289) 1.570 5.578 ( 0.000 0.897 1.289) 1.570 5.718 ( 0.000 -5.856 -3.063) 6.608 5.718 ( 0.000 -5.856 3.063) 6.608 6.047 ( 0.000 4.329 -6.876) 8.125 6.047 ( 0.000 4.329 6.876) 8.125 6.202 ( 0.000 -2.277 -5.847) 6.274 6.202 ( 0.000 -2.277 5.847) 6.274 6.327 ( 0.000 6.487 -3.168) 7.220 6.327 ( 0.000 6.487 3.168) 7.220 6.434 ( 0.000 0.550 -2.994) 3.045 6.434 ( 0.000 0.550 2.994) 3.045 6.482 ( 0.000 0.859 -1.669) 1.877 6.482 ( 0.000 0.859 1.669) 1.877 6.512 ( 0.000 -0.892 -2.075) 2.259 6.512 ( 0.000 -0.892 2.075) 2.259 6.589 ( 0.000 1.945 -0.925) 2.154 6.589 ( 0.000 1.945 0.925) 2.154 6.697 ( 0.000 1.840 -5.275) 5.587 6.697 ( 0.000 1.840 5.275) 5.587 6.903 ( 0.000 -0.811 -1.485) 1.693 6.903 ( 0.000 -0.811 1.485) 1.693 6.925 ( 0.000 -1.570 -1.523) 2.187 6.925 ( 0.000 -1.570 1.523) 2.187 7.041 ( 0.000 -0.610 -1.823) 1.923 7.041 ( 0.000 -0.610 1.823) 1.923 7.060 ( 0.000 -1.146 -0.729) 1.359 7.060 ( 0.000 -1.146 0.729) 1.359 7.121 ( 0.000 2.914 -1.947) 3.505 7.121 ( 0.000 2.914 1.947) 3.505 7.269 ( 0.000 -1.622 -2.929) 3.348 7.269 ( 0.000 -1.622 2.929) 3.348 7.330 ( 0.000 1.866 -3.314) 3.803 7.330 ( 0.000 1.866 3.314) 3.803 7.418 ( 0.000 -4.239 -2.060) 4.713 7.418 ( 0.000 -4.239 2.060) 4.713 7.456 ( 0.000 3.053 -6.992) 7.630 7.456 ( 0.000 3.053 6.992) 7.630 7.564 ( 0.000 -0.218 -5.722) 5.726 7.564 ( 0.000 -0.218 5.722) 5.726 7.592 ( 0.000 -4.411 -3.909) 5.894 7.592 ( 0.000 -4.411 3.909) 5.894 7.723 ( 0.000 -5.634 -2.829) 6.304 7.723 ( 0.000 -5.634 2.829) 6.304 7.859 ( 0.000 -1.353 -1.468) 1.996 7.859 ( 0.000 -1.353 1.468) 1.996 7.958 ( 0.000 -2.625 -8.697) 9.085 7.958 ( 0.000 -2.625 8.697) 9.085 8.033 ( 0.000 6.344 -2.958) 7.000 8.033 ( 0.000 6.344 2.958) 7.000 8.144 ( 0.000 4.183 -1.947) 4.614 8.144 ( 0.000 4.183 1.947) 4.614 8.219 ( 0.000 -2.643 -2.360) 3.543 8.219 ( 0.000 -2.643 2.360) 3.543 8.323 ( 0.000 -2.967 -2.887) 4.140 8.323 ( 0.000 -2.967 2.887) 4.140 8.615 ( 0.000 8.053 -4.226) 9.094 8.615 ( 0.000 8.053 4.226) 9.094 8.824 ( 0.000 -2.773 -8.142) 8.601 8.824 ( 0.000 -2.773 8.142) 8.601 13.368 ( 0.000 0.912 -2.338) 2.510 13.368 ( 0.000 0.912 2.338) 2.510 13.441 ( 0.000 -2.603 -2.007) 3.287 13.441 ( 0.000 -2.603 2.007) 3.287 13.581 ( 0.000 2.246 -1.960) 2.981 13.581 ( 0.000 2.246 1.960) 2.981 13.653 ( 0.000 -0.415 -4.030) 4.051 13.653 ( 0.000 -0.415 4.030) 4.051 13.844 ( 0.000 0.277 -2.108) 2.127 13.844 ( 0.000 0.277 2.108) 2.127 13.856 ( 0.000 -0.255 -3.404) 3.413 13.856 ( 0.000 -0.255 3.404) 3.413 14.102 ( 0.000 1.852 -4.038) 4.443 14.102 ( 0.000 1.852 4.038) 4.443 14.247 ( 0.000 -4.640 -2.485) 5.264 14.247 ( 0.000 -4.640 2.485) 5.264 15.539 ( 0.000 0.454 -1.730) 1.788 15.539 ( 0.000 0.454 1.730) 1.788 15.590 ( 0.000 -2.097 -3.466) 4.051 15.590 ( 0.000 -2.097 3.466) 4.051 15.664 ( 0.000 2.919 -5.326) 6.074 15.664 ( 0.000 2.919 5.326) 6.074 15.801 ( 0.000 -3.123 -4.851) 5.769 15.801 ( 0.000 -3.123 4.851) 5.769 15.940 ( 0.000 5.888 -0.794) 5.941 15.940 ( 0.000 5.888 0.794) 5.941 16.117 ( 0.000 -1.452 -1.260) 1.922 16.117 ( 0.000 -1.452 1.260) 1.922 16.148 ( 0.000 1.020 -1.214) 1.586 16.148 ( 0.000 1.020 1.214) 1.586 16.163 ( 0.000 -0.964 -1.625) 1.890 16.163 ( 0.000 -0.964 1.625) 1.890 16.321 ( 0.000 1.607 -0.921) 1.852 16.321 ( 0.000 1.607 0.921) 1.852 16.386 ( 0.000 -0.857 -0.739) 1.132 16.386 ( 0.000 -0.857 0.739) 1.132 16.444 ( 0.000 -0.347 -2.966) 2.986 16.444 ( 0.000 -0.347 2.966) 2.986 16.486 ( 0.000 -3.030 -1.374) 3.327 16.486 ( 0.000 -3.030 1.374) 3.327 16.649 ( 0.000 1.716 -0.602) 1.819 16.649 ( 0.000 1.716 0.602) 1.819 16.754 ( 0.000 -2.587 -0.781) 2.702 16.754 ( 0.000 -2.587 0.781) 2.702 16.798 ( 0.000 5.840 -7.212) 9.280 16.798 ( 0.000 5.840 7.212) 9.280 16.968 ( 0.000 -2.439 -4.526) 5.141 16.968 ( 0.000 -2.439 4.526) 5.141 ======================= Grid point 86 (30/36) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 4.518 6.810 -7.127) 10.844 0.684 ( 4.518 6.810 7.127) 10.844 0.847 ( 5.448 3.768 -8.602) 10.857 0.847 ( 5.448 3.768 8.602) 10.857 0.936 ( 4.935 -2.521 -5.370) 7.717 0.936 ( 4.935 -2.521 5.370) 7.717 1.044 ( 0.601 -2.608 -2.950) 3.983 1.044 ( 0.601 -2.608 2.950) 3.983 1.078 ( 5.734 -0.382 -5.502) 7.956 1.078 ( 5.734 -0.382 5.502) 7.956 1.138 ( 5.598 -2.162 -1.439) 6.171 1.138 ( 5.598 -2.162 1.439) 6.171 1.225 ( 2.062 5.041 -0.970) 5.533 1.225 ( 2.062 5.041 0.970) 5.533 1.251 ( 1.318 2.009 -2.441) 3.425 1.251 ( 1.318 2.009 2.441) 3.425 1.332 ( 1.402 1.180 -1.675) 2.483 1.332 ( 1.402 1.180 1.675) 2.483 1.428 ( 1.419 4.607 -3.811) 6.145 1.428 ( 1.419 4.607 3.811) 6.145 1.484 ( 2.727 0.980 -4.552) 5.396 1.484 ( 2.727 0.980 4.552) 5.396 1.603 ( 0.807 -0.008 -0.535) 0.969 1.603 ( 0.807 -0.008 0.535) 0.969 1.651 ( 0.031 0.154 -2.157) 2.163 1.651 ( 0.031 0.154 2.157) 2.163 1.694 ( -1.117 0.860 -4.135) 4.369 1.694 ( -1.117 0.860 4.135) 4.369 1.733 ( -1.252 -1.185 -1.105) 2.048 1.733 ( -1.252 -1.185 1.105) 2.048 1.760 ( 3.096 -0.511 -3.993) 5.078 1.760 ( 3.096 -0.511 3.993) 5.078 1.879 ( -1.821 1.816 -1.068) 2.785 1.879 ( -1.821 1.816 1.068) 2.785 1.998 ( 2.966 0.423 -0.609) 3.057 1.998 ( 2.966 0.423 0.609) 3.057 2.026 ( -0.862 0.514 -2.849) 3.021 2.026 ( -0.862 0.514 2.849) 3.021 2.069 ( 6.715 1.880 -0.953) 7.038 2.069 ( 6.715 1.880 0.953) 7.038 2.127 ( 0.044 -4.557 -2.435) 5.167 2.127 ( 0.044 -4.557 2.435) 5.167 2.149 ( 3.594 0.380 -0.272) 3.624 2.149 ( 3.594 0.380 0.272) 3.624 2.311 ( -2.424 -3.527 -2.535) 4.974 2.311 ( -2.424 -3.527 2.535) 4.974 2.327 ( -0.383 0.239 -1.442) 1.511 2.327 ( -0.383 0.239 1.442) 1.511 2.357 ( -2.408 0.117 -1.436) 2.806 2.357 ( -2.408 0.117 1.436) 2.806 2.421 ( 0.121 0.390 -1.050) 1.127 2.421 ( 0.121 0.390 1.050) 1.127 2.452 ( -0.590 1.271 -0.759) 1.593 2.452 ( -0.590 1.271 0.759) 1.593 2.494 ( 0.791 -1.032 -2.423) 2.749 2.494 ( 0.791 -1.032 2.423) 2.749 2.628 ( -0.413 -1.349 -1.462) 2.032 2.628 ( -0.413 -1.349 1.462) 2.032 2.643 ( 0.611 -1.592 -1.069) 2.012 2.643 ( 0.611 -1.592 1.069) 2.012 2.748 ( 0.804 0.348 -3.829) 3.928 2.748 ( 0.804 0.348 3.829) 3.928 2.829 ( -2.058 -2.568 -2.722) 4.270 2.829 ( -2.058 -2.568 2.722) 4.270 2.872 ( -0.413 -0.236 -1.061) 1.163 2.872 ( -0.413 -0.236 1.061) 1.163 2.925 ( -1.007 0.488 -3.119) 3.313 2.925 ( -1.007 0.488 3.119) 3.313 3.059 ( 0.473 -1.820 -3.525) 3.995 3.059 ( 0.473 -1.820 3.525) 3.995 3.099 ( 1.103 -0.247 -2.893) 3.106 3.099 ( 1.103 -0.247 2.893) 3.106 4.085 ( 4.809 1.886 -1.572) 5.399 4.085 ( 4.809 1.886 1.572) 5.399 4.179 ( 3.311 -1.963 -0.539) 3.887 4.179 ( 3.311 -1.963 0.539) 3.887 4.305 ( 1.184 0.540 -1.500) 1.986 4.305 ( 1.184 0.540 1.500) 1.986 4.338 ( 1.652 0.137 -1.910) 2.529 4.338 ( 1.652 0.137 1.910) 2.529 4.406 ( 1.689 0.746 -2.649) 3.229 4.406 ( 1.689 0.746 2.649) 3.229 4.487 ( 0.930 -2.310 -0.921) 2.655 4.487 ( 0.930 -2.310 0.921) 2.655 4.572 ( -0.647 1.665 -0.394) 1.829 4.572 ( -0.647 1.665 0.394) 1.829 4.678 ( -1.582 -2.467 -1.716) 3.396 4.678 ( -1.582 -2.467 1.716) 3.396 4.743 ( 1.135 0.651 -2.095) 2.470 4.743 ( 1.135 0.651 2.095) 2.470 4.803 ( -0.601 -0.496 -2.401) 2.524 4.803 ( -0.601 -0.496 2.401) 2.524 4.843 ( -0.998 0.730 -4.853) 5.008 4.843 ( -0.998 0.730 4.853) 5.008 4.941 ( 1.237 0.725 -5.449) 5.634 4.941 ( 1.237 0.725 5.449) 5.634 5.160 ( 0.691 -0.153 -1.635) 1.781 5.160 ( 0.691 -0.153 1.635) 1.781 5.186 ( 2.262 -1.684 -1.635) 3.260 5.186 ( 2.262 -1.684 1.635) 3.260 5.343 ( 2.261 1.087 -1.887) 3.139 5.343 ( 2.261 1.087 1.887) 3.139 5.400 ( 1.100 -1.482 -1.547) 2.408 5.400 ( 1.100 -1.482 1.547) 2.408 5.501 ( -0.205 1.522 -1.344) 2.041 5.501 ( -0.205 1.522 1.344) 2.041 5.537 ( -0.252 0.180 -0.648) 0.719 5.537 ( -0.252 0.180 0.648) 0.719 5.582 ( 0.448 0.973 -1.245) 1.642 5.582 ( 0.448 0.973 1.245) 1.642 5.739 ( 1.225 -5.133 -1.736) 5.555 5.739 ( 1.225 -5.133 1.736) 5.555 6.045 ( -0.038 3.750 -6.215) 7.259 6.045 ( -0.038 3.750 6.215) 7.259 6.197 ( -0.494 -1.372 -5.785) 5.966 6.197 ( -0.494 -1.372 5.785) 5.966 6.308 ( -1.766 4.960 -2.559) 5.854 6.308 ( -1.766 4.960 2.559) 5.854 6.436 ( -0.134 0.064 -4.122) 4.124 6.436 ( -0.134 0.064 4.122) 4.124 6.512 ( 2.439 0.817 -1.632) 3.046 6.512 ( 2.439 0.817 1.632) 3.046 6.535 ( 1.932 -0.371 -2.541) 3.213 6.535 ( 1.932 -0.371 2.541) 3.213 6.603 ( 1.365 1.016 -0.755) 1.862 6.603 ( 1.365 1.016 0.755) 1.862 6.702 ( 0.953 2.750 -3.680) 4.692 6.702 ( 0.953 2.750 3.680) 4.692 6.912 ( 1.188 -0.998 -1.482) 2.145 6.912 ( 1.188 -0.998 1.482) 2.145 6.923 ( 0.048 -1.953 -1.336) 2.366 6.923 ( 0.048 -1.953 1.336) 2.366 7.000 ( -2.355 2.227 -1.852) 3.733 7.000 ( -2.355 2.227 1.852) 3.733 7.071 ( 0.510 -0.331 -2.493) 2.567 7.071 ( 0.510 -0.331 2.493) 2.567 7.130 ( 1.105 2.386 -1.459) 3.007 7.130 ( 1.105 2.386 1.459) 3.007 7.264 ( -1.113 1.424 -2.009) 2.702 7.264 ( -1.113 1.424 2.009) 2.702 7.325 ( -0.020 -2.927 -1.339) 3.218 7.325 ( -0.020 -2.927 1.339) 3.218 7.403 ( -1.907 -2.581 -1.431) 3.514 7.403 ( -1.907 -2.581 1.431) 3.514 7.468 ( 0.888 -0.364 -5.914) 5.991 7.468 ( 0.888 -0.364 5.914) 5.991 7.543 ( -1.230 -1.781 -4.046) 4.589 7.543 ( -1.230 -1.781 4.046) 4.589 7.604 ( 0.340 -3.045 -0.536) 3.110 7.604 ( 0.340 -3.045 0.536) 3.110 7.724 ( 0.238 -2.634 -2.303) 3.507 7.724 ( 0.238 -2.634 2.303) 3.507 7.838 ( -2.359 -3.136 -0.958) 4.040 7.838 ( -2.359 -3.136 0.958) 4.040 7.917 ( -3.285 -1.426 -7.323) 8.152 7.917 ( -3.285 -1.426 7.323) 8.152 8.018 ( -1.649 4.740 -3.055) 5.875 8.018 ( -1.649 4.740 3.055) 5.875 8.117 ( -1.811 3.317 -1.276) 3.988 8.117 ( -1.811 3.317 1.276) 3.988 8.236 ( -0.001 -1.833 -4.048) 4.443 8.236 ( -0.001 -1.833 4.048) 4.443 8.314 ( 0.290 -2.285 -0.931) 2.484 8.314 ( 0.290 -2.285 0.931) 2.484 8.549 ( -5.645 8.589 -4.443) 11.197 8.549 ( -5.645 8.589 4.443) 11.197 8.779 ( -4.287 -3.056 -7.651) 9.288 8.779 ( -4.287 -3.056 7.651) 9.288 13.384 ( 1.562 0.815 -2.230) 2.842 13.384 ( 1.562 0.815 2.230) 2.842 13.441 ( 0.254 -1.732 -2.138) 2.763 13.441 ( 0.254 -1.732 2.138) 2.763 13.574 ( -0.829 1.885 -1.322) 2.447 13.574 ( -0.829 1.885 1.322) 2.447 13.637 ( -1.439 -0.663 -3.637) 3.967 13.637 ( -1.439 -0.663 3.637) 3.967 13.831 ( -0.921 0.341 -1.409) 1.717 13.831 ( -0.921 0.341 1.409) 1.717 13.848 ( -0.504 -0.598 -0.487) 0.921 13.848 ( -0.504 -0.598 0.487) 0.921 14.059 ( -4.029 1.878 -3.476) 5.643 14.059 ( -4.029 1.878 3.476) 5.643 14.204 ( -4.170 -4.415 -2.368) 6.518 14.204 ( -4.170 -4.415 2.368) 6.518 15.526 ( -1.129 0.198 -1.390) 1.802 15.526 ( -1.129 0.198 1.390) 1.802 15.588 ( -0.507 -1.311 -3.129) 3.430 15.588 ( -0.507 -1.311 3.129) 3.430 15.629 ( -2.703 1.609 -4.745) 5.693 15.629 ( -2.703 1.609 4.745) 5.693 15.775 ( -2.669 -2.673 -4.773) 6.087 15.775 ( -2.669 -2.673 4.773) 6.087 15.898 ( -2.740 4.464 -0.492) 5.260 15.898 ( -2.740 4.464 0.492) 5.260 15.994 ( -5.983 2.531 -1.587) 6.688 15.994 ( -5.983 2.531 1.587) 6.688 16.044 ( -4.974 0.729 -0.503) 5.052 16.044 ( -4.974 0.729 0.503) 5.052 16.216 ( -5.475 -2.964 -1.599) 6.428 16.216 ( -5.475 -2.964 1.599) 6.428 16.346 ( 5.442 1.146 -1.443) 5.746 16.346 ( 5.442 1.146 1.443) 5.746 16.417 ( 3.036 1.032 -0.404) 3.232 16.417 ( 3.036 1.032 0.404) 3.232 16.518 ( 5.448 -2.221 -1.913) 6.186 16.518 ( 5.448 -2.221 1.913) 6.186 16.545 ( 2.810 -2.707 -1.227) 4.090 16.545 ( 2.810 -2.707 1.227) 4.090 16.670 ( 2.580 3.118 -0.245) 4.055 16.670 ( 2.580 3.118 0.245) 4.055 16.796 ( 4.274 -1.569 -2.406) 5.150 16.796 ( 4.274 -1.569 2.406) 5.150 16.855 ( 4.565 3.543 -4.705) 7.451 16.855 ( 4.565 3.543 4.705) 7.451 17.007 ( 3.067 -2.382 -3.821) 5.448 17.007 ( 3.067 -2.382 3.821) 5.448 ======================= Grid point 88 (31/36) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.064 6.222 -3.306) 9.977 0.808 ( 7.064 6.222 3.306) 9.977 0.944 ( 4.120 1.877 -3.803) 5.913 0.944 ( 4.120 1.877 3.803) 5.913 1.019 ( 2.020 -2.297 -0.644) 3.126 1.019 ( 2.020 -2.297 0.644) 3.126 1.071 ( 1.590 -0.624 -0.698) 1.845 1.071 ( 1.590 -0.624 0.698) 1.845 1.150 ( 2.318 0.622 -1.751) 2.970 1.150 ( 2.318 0.622 1.751) 2.970 1.218 ( 0.104 3.554 -0.434) 3.582 1.218 ( 0.104 3.554 0.434) 3.582 1.250 ( 1.685 0.107 -2.650) 3.142 1.250 ( 1.685 0.107 2.650) 3.142 1.281 ( 1.429 1.463 -1.581) 2.585 1.281 ( 1.429 1.463 1.581) 2.585 1.400 ( 3.236 -1.840 -1.443) 3.992 1.400 ( 3.236 -1.840 1.443) 3.992 1.443 ( -0.161 1.965 -1.646) 2.568 1.443 ( -0.161 1.965 1.646) 2.568 1.547 ( 2.393 -0.504 -3.787) 4.508 1.547 ( 2.393 -0.504 3.787) 4.508 1.617 ( -0.371 1.785 -0.765) 1.977 1.617 ( -0.371 1.785 0.765) 1.977 1.628 ( -0.115 2.019 -2.330) 3.085 1.628 ( -0.115 2.019 2.330) 3.085 1.683 ( 0.200 1.441 -1.735) 2.264 1.683 ( 0.200 1.441 1.735) 2.264 1.727 ( 0.091 0.968 -1.217) 1.558 1.727 ( 0.091 0.968 1.217) 1.558 1.771 ( -1.997 -1.279 -2.137) 3.192 1.771 ( -1.997 -1.279 2.137) 3.192 1.848 ( 1.342 2.104 -3.744) 4.499 1.848 ( 1.342 2.104 3.744) 4.499 2.035 ( 1.016 -0.437 -1.237) 1.660 2.035 ( 1.016 -0.437 1.237) 1.660 2.069 ( 3.346 -1.011 -1.170) 3.686 2.069 ( 3.346 -1.011 1.170) 3.686 2.144 ( -2.226 -1.205 -2.759) 3.744 2.144 ( -2.226 -1.205 2.759) 3.744 2.161 ( 2.842 -3.269 -2.113) 4.819 2.161 ( 2.842 -3.269 2.113) 4.819 2.234 ( 2.840 0.708 -1.895) 3.487 2.234 ( 2.840 0.708 1.895) 3.487 2.276 ( 1.376 0.271 -1.850) 2.321 2.276 ( 1.376 0.271 1.850) 2.321 2.316 ( 1.766 0.517 -1.306) 2.256 2.316 ( 1.766 0.517 1.306) 2.256 2.367 ( 1.922 0.008 -1.250) 2.293 2.367 ( 1.922 0.008 1.250) 2.293 2.423 ( -0.917 -0.479 -1.374) 1.720 2.423 ( -0.917 -0.479 1.374) 1.720 2.437 ( 0.045 0.194 -2.970) 2.976 2.437 ( 0.045 0.194 2.970) 2.976 2.515 ( 0.801 -1.508 -2.538) 3.058 2.515 ( 0.801 -1.508 2.538) 3.058 2.608 ( -1.714 -0.072 -2.609) 3.122 2.608 ( -1.714 -0.072 2.609) 3.122 2.647 ( -0.464 -1.621 -1.625) 2.342 2.647 ( -0.464 -1.621 1.625) 2.342 2.767 ( 1.334 0.229 -1.117) 1.755 2.767 ( 1.334 0.229 1.117) 1.755 2.813 ( 0.907 -1.987 -2.625) 3.415 2.813 ( 0.907 -1.987 2.625) 3.415 2.863 ( -0.453 0.133 -1.786) 1.848 2.863 ( -0.453 0.133 1.786) 1.848 2.897 ( -1.180 -0.368 -2.330) 2.637 2.897 ( -1.180 -0.368 2.330) 2.637 3.075 ( 0.713 -1.178 -1.763) 2.237 3.075 ( 0.713 -1.178 1.763) 2.237 3.111 ( -0.169 -0.614 -1.640) 1.760 3.111 ( -0.169 -0.614 1.640) 1.760 4.202 ( 5.903 0.672 -0.620) 5.973 4.202 ( 5.903 0.672 0.620) 5.973 4.253 ( 3.707 -0.741 -0.997) 3.910 4.253 ( 3.707 -0.741 0.997) 3.910 4.327 ( 0.250 0.389 -2.439) 2.482 4.327 ( 0.250 0.389 2.439) 2.482 4.368 ( 1.073 1.365 -0.957) 1.983 4.368 ( 1.073 1.365 0.957) 1.983 4.453 ( 2.227 0.512 -1.161) 2.563 4.453 ( 2.227 0.512 1.161) 2.563 4.512 ( 1.791 -1.764 -1.351) 2.854 4.512 ( 1.791 -1.764 1.351) 2.854 4.570 ( 0.716 -0.066 -1.186) 1.387 4.570 ( 0.716 -0.066 1.186) 1.387 4.647 ( -1.152 -2.496 -2.072) 3.442 4.647 ( -1.152 -2.496 2.072) 3.442 4.757 ( 0.453 0.625 -3.058) 3.154 4.757 ( 0.453 0.625 3.058) 3.154 4.803 ( 1.087 -0.057 -1.563) 1.904 4.803 ( 1.087 -0.057 1.563) 1.904 4.830 ( -1.107 0.919 -3.005) 3.331 4.830 ( -1.107 0.919 3.005) 3.331 4.935 ( -2.450 -0.513 -3.569) 4.360 4.935 ( -2.450 -0.513 3.569) 4.360 5.208 ( 5.082 0.980 -2.976) 5.970 5.208 ( 5.082 0.980 2.976) 5.970 5.265 ( 5.628 -1.769 -2.354) 6.351 5.265 ( 5.628 -1.769 2.354) 6.351 5.380 ( 1.135 0.107 -2.437) 2.691 5.380 ( 1.135 0.107 2.437) 2.691 5.408 ( -0.355 -1.643 -1.023) 1.968 5.408 ( -0.355 -1.643 1.023) 1.968 5.488 ( -0.943 1.814 -1.053) 2.300 5.488 ( -0.943 1.814 1.053) 2.300 5.523 ( -0.991 0.484 -0.745) 1.331 5.523 ( -0.991 0.484 0.745) 1.331 5.579 ( -1.223 0.547 -1.788) 2.234 5.579 ( -1.223 0.547 1.788) 2.234 5.709 ( -5.025 -3.050 -1.909) 6.180 5.709 ( -5.024 -3.050 1.909) 6.180 6.057 ( 1.541 2.965 -4.344) 5.480 6.057 ( 1.541 2.965 4.344) 5.480 6.173 ( -2.450 1.554 -2.353) 3.736 6.173 ( -2.450 1.554 2.353) 3.736 6.283 ( 0.378 2.015 -1.047) 2.302 6.283 ( 0.378 2.015 1.047) 2.302 6.404 ( -3.179 -0.879 -4.596) 5.657 6.404 ( -3.179 -0.879 4.596) 5.657 6.559 ( 2.089 0.770 -0.708) 2.336 6.559 ( 2.089 0.770 0.708) 2.336 6.576 ( 1.755 0.483 -1.060) 2.106 6.576 ( 1.755 0.483 1.060) 2.106 6.643 ( 2.543 0.080 -0.214) 2.553 6.643 ( 2.543 0.080 0.214) 2.553 6.721 ( -0.193 1.505 -0.658) 1.654 6.721 ( -0.193 1.505 0.658) 1.654 6.916 ( 1.328 0.099 -1.026) 1.681 6.916 ( 1.328 0.099 1.026) 1.681 6.961 ( -0.081 1.494 -1.134) 1.877 6.961 ( -0.081 1.494 1.134) 1.877 7.029 ( 6.566 1.906 -1.899) 7.096 7.029 ( 6.566 1.906 1.899) 7.096 7.061 ( -0.981 2.352 -1.904) 3.181 7.061 ( -0.981 2.352 1.904) 3.181 7.175 ( 3.996 0.795 -1.418) 4.314 7.175 ( 3.996 0.795 1.418) 4.314 7.244 ( -3.733 -1.414 -0.291) 4.002 7.244 ( -3.733 -1.414 0.291) 4.002 7.296 ( 0.694 -2.752 -1.086) 3.039 7.296 ( 0.694 -2.752 1.086) 3.039 7.373 ( -1.543 -1.379 -1.691) 2.672 7.373 ( -1.543 -1.379 1.691) 2.672 7.456 ( -2.412 -1.346 -5.050) 5.756 7.456 ( -2.412 -1.346 5.050) 5.756 7.541 ( 0.493 -3.986 -4.535) 6.058 7.541 ( 0.493 -3.986 4.535) 6.058 7.575 ( -3.097 -0.023 -2.327) 3.874 7.575 ( -3.097 -0.023 2.327) 3.874 7.719 ( -2.170 -2.895 -0.863) 3.720 7.719 ( -2.170 -2.895 0.863) 3.720 7.776 ( -1.624 -4.851 -2.278) 5.600 7.776 ( -1.624 -4.851 2.278) 5.600 7.855 ( -3.018 -1.730 -5.730) 6.704 7.855 ( -3.018 -1.730 5.730) 6.704 7.992 ( 0.168 2.443 -2.158) 3.264 7.992 ( 0.168 2.443 2.158) 3.264 8.083 ( -1.977 1.911 -0.750) 2.850 8.083 ( -1.977 1.911 0.750) 2.850 8.210 ( -0.802 2.418 -3.003) 3.938 8.210 ( -0.802 2.418 3.003) 3.938 8.326 ( -2.021 2.602 -2.503) 4.138 8.326 ( -2.021 2.602 2.503) 4.138 8.461 ( -0.148 3.853 -4.452) 5.890 8.461 ( -0.148 3.853 4.452) 5.890 8.668 ( -6.418 -3.324 -6.496) 9.718 8.668 ( -6.418 -3.324 6.496) 9.718 13.426 ( 2.417 0.717 -1.514) 2.941 13.426 ( 2.417 0.717 1.514) 2.941 13.462 ( 1.861 -0.820 -1.549) 2.556 13.462 ( 1.861 -0.820 1.549) 2.556 13.546 ( -1.741 1.336 -0.870) 2.361 13.546 ( -1.741 1.336 0.870) 2.361 13.599 ( -2.415 -0.575 -2.902) 3.819 13.599 ( -2.415 -0.575 2.902) 3.819 13.811 ( -0.146 0.520 -1.562) 1.653 13.811 ( -0.146 0.520 1.562) 1.653 13.869 ( 2.222 -1.574 -0.565) 2.781 13.869 ( 2.222 -1.574 0.565) 2.781 13.961 ( -4.878 1.772 -2.181) 5.630 13.961 ( -4.878 1.772 2.181) 5.630 14.094 ( -6.287 -3.726 -1.991) 7.574 14.094 ( -6.287 -3.726 1.991) 7.574 15.504 ( -0.750 0.078 -1.310) 1.512 15.504 ( -0.750 0.078 1.310) 1.512 15.546 ( -2.793 0.136 -2.431) 3.705 15.546 ( -2.793 0.136 2.431) 3.705 15.612 ( 0.772 -0.458 -1.922) 2.121 15.612 ( 0.772 -0.458 1.922) 2.121 15.706 ( -3.659 -1.542 -4.070) 5.686 15.706 ( -3.659 -1.542 4.070) 5.686 15.865 ( -0.559 3.200 -0.811) 3.348 15.865 ( -0.559 3.200 0.811) 3.348 15.911 ( -2.777 4.545 -0.653) 5.367 15.911 ( -2.777 4.545 0.653) 5.367 15.983 ( -0.951 -0.598 -0.307) 1.165 15.983 ( -0.951 -0.598 0.307) 1.165 16.091 ( -5.747 -2.182 -0.878) 6.210 16.091 ( -5.747 -2.182 0.878) 6.210 16.433 ( 2.899 1.008 -0.996) 3.227 16.433 ( 2.899 1.008 0.996) 3.227 16.461 ( 1.261 1.480 -0.597) 2.034 16.461 ( 1.261 1.480 0.597) 2.034 16.579 ( 1.146 -2.540 -0.872) 2.919 16.579 ( 1.146 -2.540 0.872) 2.919 16.588 ( 1.240 -3.151 -1.148) 3.576 16.588 ( 1.240 -3.151 1.148) 3.576 16.768 ( 6.300 4.207 -2.015) 7.839 16.768 ( 6.300 4.207 2.015) 7.839 16.884 ( 2.634 1.261 -5.659) 6.368 16.884 ( 2.634 1.261 5.659) 6.368 16.948 ( 4.791 -0.736 -0.687) 4.896 16.948 ( 4.791 -0.736 0.687) 4.896 17.052 ( 0.840 -2.272 -2.745) 3.661 17.052 ( 0.840 -2.272 2.745) 3.661 ======================= Grid point 90 (32/36) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -4.760 3.399 -2.976) 6.563 0.936 ( 3.448 3.399 -2.768) 5.577 0.936 ( -3.448 3.399 2.768) 5.577 0.936 ( 4.760 3.399 2.976) 6.563 1.064 ( -1.844 -0.121 -2.432) 3.054 1.064 ( 0.988 -0.121 -2.376) 2.576 1.064 ( -0.988 -0.121 2.376) 2.576 1.064 ( 1.844 -0.121 2.432) 3.054 1.196 ( -1.811 1.512 -2.706) 3.590 1.196 ( 1.777 1.512 -2.704) 3.571 1.196 ( -1.777 1.512 2.704) 3.571 1.196 ( 1.811 1.512 2.706) 3.590 1.283 ( -1.457 0.761 -2.760) 3.212 1.283 ( 1.343 0.761 -2.754) 3.157 1.283 ( -1.343 0.761 2.754) 3.157 1.283 ( 1.457 0.761 2.760) 3.212 1.428 ( -0.822 -1.313 -0.662) 1.685 1.428 ( 0.226 -1.313 -0.607) 1.464 1.428 ( -0.226 -1.313 0.607) 1.464 1.428 ( 0.822 -1.313 0.662) 1.685 1.578 ( -1.874 1.009 -1.235) 2.461 1.578 ( 1.119 1.009 -1.129) 1.883 1.578 ( -1.119 1.009 1.129) 1.883 1.578 ( 1.874 1.009 1.235) 2.461 1.683 ( -3.304 1.158 -3.244) 4.773 1.683 ( 3.284 1.158 -3.242) 4.757 1.683 ( -3.284 1.158 3.242) 4.757 1.683 ( 3.304 1.158 3.244) 4.773 1.717 ( -1.605 1.762 -2.954) 3.796 1.717 ( 0.972 1.762 -2.924) 3.549 1.717 ( -0.972 1.762 2.924) 3.549 1.717 ( 1.605 1.762 2.954) 3.796 1.965 ( -7.535 -0.860 -4.483) 8.810 1.965 ( 6.448 -0.860 -4.290) 7.792 1.965 ( -6.448 -0.860 4.290) 7.792 1.965 ( 7.535 -0.860 4.483) 8.810 2.107 ( -1.577 -0.221 -2.855) 3.269 2.107 ( 1.286 -0.221 -2.839) 3.125 2.107 ( -1.286 -0.221 2.839) 3.125 2.107 ( 1.577 -0.221 2.855) 3.269 2.218 ( -2.850 -0.489 -2.273) 3.679 2.218 ( 2.740 -0.489 -2.258) 3.584 2.218 ( -2.740 -0.489 2.258) 3.584 2.218 ( 2.850 -0.489 2.273) 3.679 2.346 ( -1.401 -0.668 -0.840) 1.765 2.346 ( 1.028 -0.668 -0.778) 1.452 2.346 ( -1.028 -0.668 0.778) 1.452 2.346 ( 1.401 -0.668 0.840) 1.765 2.400 ( -3.328 -0.208 -3.169) 4.600 2.400 ( 2.843 -0.208 -3.116) 4.223 2.400 ( -2.843 -0.208 3.116) 4.223 2.400 ( 3.328 -0.208 3.169) 4.600 2.464 ( -4.346 -0.777 -2.465) 5.056 2.464 ( 4.336 -0.777 -2.463) 5.047 2.464 ( -4.336 -0.777 2.463) 5.047 2.464 ( 4.346 -0.777 2.465) 5.056 2.617 ( -2.154 -0.424 -1.441) 2.626 2.617 ( 2.138 -0.424 -1.438) 2.611 2.617 ( -2.138 -0.424 1.438) 2.611 2.617 ( 2.154 -0.424 1.441) 2.626 2.810 ( -1.846 -0.164 -0.894) 2.057 2.810 ( 0.586 -0.164 -0.677) 0.910 2.810 ( -0.586 -0.164 0.677) 0.910 2.810 ( 1.846 -0.164 0.894) 2.057 2.874 ( -1.279 -0.853 -1.245) 1.979 2.874 ( 1.158 -0.853 -1.232) 1.893 2.874 ( -1.158 -0.853 1.232) 1.893 2.874 ( 1.279 -0.853 1.245) 1.979 3.093 ( -1.024 -0.898 -0.670) 1.518 3.093 ( 0.072 -0.898 -0.577) 1.070 3.093 ( -0.072 -0.898 0.577) 1.070 3.093 ( 1.024 -0.898 0.670) 1.518 4.284 ( -1.962 -0.507 -1.724) 2.660 4.284 ( 1.583 -0.507 -1.680) 2.363 4.284 ( -1.583 -0.507 1.680) 2.363 4.284 ( 1.962 -0.507 1.724) 2.660 4.347 ( -2.762 1.280 -1.078) 3.229 4.347 ( 0.936 1.280 -0.642) 1.711 4.347 ( -0.936 1.280 0.642) 1.711 4.347 ( 2.762 1.280 1.078) 3.229 4.504 ( -1.997 0.332 -1.227) 2.368 4.504 ( -0.120 0.332 -1.031) 1.090 4.504 ( 0.120 0.332 1.031) 1.090 4.504 ( 1.997 0.332 1.227) 2.368 4.615 ( -2.120 -2.189 -1.698) 3.488 4.615 ( 0.087 -2.189 -1.545) 2.680 4.615 ( -0.087 -2.189 1.545) 2.680 4.615 ( 2.120 -2.189 1.698) 3.488 4.787 ( -2.312 1.719 -4.074) 4.990 4.787 ( 2.312 1.719 -4.074) 4.990 4.787 ( -2.312 1.719 4.074) 4.990 4.787 ( 2.312 1.719 4.074) 4.990 4.857 ( -3.738 -1.342 -2.772) 4.843 4.857 ( 3.069 -1.342 -2.679) 4.289 4.857 ( -3.069 -1.342 2.679) 4.289 4.857 ( 3.738 -1.342 2.772) 4.843 5.336 ( -5.112 -0.017 -2.661) 5.763 5.336 ( 4.765 -0.017 -2.589) 5.423 5.336 ( -4.765 -0.017 2.589) 5.423 5.336 ( 5.112 -0.017 2.661) 5.763 5.381 ( -2.789 -0.932 -0.995) 3.104 5.381 ( 1.761 -0.932 -0.686) 2.107 5.381 ( -1.761 -0.932 0.686) 2.107 5.381 ( 2.789 -0.932 0.995) 3.104 5.493 ( -0.797 1.402 -3.475) 3.831 5.493 ( 0.114 1.402 -3.465) 3.739 5.493 ( -0.114 1.402 3.465) 3.739 5.493 ( 0.797 1.402 3.475) 3.831 5.585 ( -4.386 -1.423 -3.686) 5.903 5.585 ( 4.357 -1.423 -3.682) 5.879 5.585 ( -4.357 -1.423 3.682) 5.879 5.585 ( 4.386 -1.423 3.686) 5.903 6.108 ( -2.913 3.046 -2.380) 4.840 6.108 ( 1.274 3.046 -2.215) 3.976 6.108 ( -1.274 3.046 2.215) 3.976 6.108 ( 2.913 3.046 2.380) 4.840 6.329 ( -3.611 -0.195 -3.730) 5.195 6.329 ( 3.583 -0.195 -3.727) 5.174 6.329 ( -3.583 -0.195 3.727) 5.174 6.329 ( 3.611 -0.195 3.730) 5.195 6.589 ( -0.367 0.869 -1.341) 1.639 6.589 ( 0.217 0.869 -1.337) 1.610 6.589 ( -0.217 0.869 1.337) 1.610 6.589 ( 0.367 0.869 1.341) 1.639 6.693 ( -1.359 0.283 -1.200) 1.835 6.693 ( -0.687 0.283 -1.134) 1.356 6.693 ( 0.687 0.283 1.134) 1.356 6.693 ( 1.359 0.283 1.200) 1.835 6.949 ( -1.832 2.041 -0.674) 2.825 6.949 ( 0.337 2.041 -0.306) 2.092 6.949 ( -0.337 2.041 0.306) 2.092 6.949 ( 1.832 2.041 0.674) 2.825 7.079 ( -4.567 -0.597 -0.776) 4.671 7.079 ( -4.091 -0.597 0.381) 4.152 7.079 ( 4.091 -0.597 -0.381) 4.152 7.079 ( 4.567 -0.597 0.776) 4.671 7.236 ( -3.940 0.301 -0.904) 4.053 7.236 ( -3.929 0.301 0.899) 4.042 7.236 ( 3.929 0.301 -0.899) 4.042 7.236 ( 3.940 0.301 0.904) 4.053 7.319 ( -1.817 1.612 -1.434) 2.821 7.319 ( -0.992 1.612 -1.342) 2.320 7.319 ( 0.992 1.612 1.342) 2.320 7.319 ( 1.817 1.612 1.434) 2.821 7.450 ( -4.287 -2.106 -3.877) 6.152 7.450 ( 4.145 -2.106 -3.860) 6.043 7.450 ( -4.145 -2.106 3.860) 6.043 7.450 ( 4.287 -2.106 3.877) 6.152 7.628 ( -5.106 -5.474 -2.845) 8.008 7.628 ( 5.094 -5.474 -2.843) 7.999 7.628 ( -5.094 -5.474 2.843) 7.999 7.628 ( 5.106 -5.474 2.845) 8.008 7.799 ( -2.359 -2.679 -2.682) 4.465 7.799 ( 2.169 -2.679 -2.664) 4.357 7.799 ( -2.169 -2.679 2.664) 4.357 7.799 ( 2.359 -2.679 2.682) 4.465 8.030 ( -2.762 0.504 -2.108) 3.511 8.030 ( 2.054 0.504 -2.016) 2.922 8.030 ( -2.054 0.504 2.016) 2.922 8.030 ( 2.762 0.504 2.108) 3.511 8.244 ( -3.938 7.061 -1.835) 8.290 8.244 ( 3.927 7.061 -1.833) 8.284 8.244 ( -3.927 7.061 1.833) 8.284 8.244 ( 3.938 7.061 1.835) 8.290 8.539 ( -5.940 -2.467 -5.210) 8.277 8.539 ( 5.805 -2.467 -5.193) 8.170 8.539 ( -5.805 -2.467 5.193) 8.170 8.539 ( 5.940 -2.467 5.210) 8.277 13.474 ( -1.594 0.336 -1.017) 1.921 13.474 ( 0.162 0.336 -0.869) 0.945 13.474 ( -0.161 0.336 0.869) 0.945 13.474 ( 1.594 0.336 1.017) 1.921 13.544 ( -2.446 0.101 -1.901) 3.099 13.544 ( 2.422 0.101 -1.898) 3.079 13.544 ( -2.422 0.101 1.898) 3.079 13.544 ( 2.446 0.101 1.901) 3.099 13.846 ( -3.321 0.730 -1.169) 3.596 13.846 ( -0.383 0.730 -0.397) 0.915 13.846 ( 0.383 0.730 0.397) 0.915 13.846 ( 3.321 0.730 1.169) 3.596 13.973 ( -5.245 -2.316 -1.342) 5.889 13.973 ( -5.227 -2.316 1.335) 5.871 13.973 ( 5.227 -2.316 -1.335) 5.871 13.973 ( 5.245 -2.316 1.342) 5.889 15.505 ( -1.046 0.021 -1.963) 2.224 15.505 ( 1.043 0.021 -1.963) 2.223 15.505 ( -1.043 0.021 1.963) 2.223 15.505 ( 1.046 0.021 1.963) 2.224 15.644 ( -2.365 -0.805 -2.774) 3.733 15.644 ( 2.323 -0.805 -2.770) 3.703 15.644 ( -2.323 -0.805 2.770) 3.703 15.644 ( 2.365 -0.805 2.774) 3.733 15.872 ( -1.036 3.739 -0.938) 3.991 15.872 ( 0.634 3.739 -0.897) 3.897 15.872 ( -0.634 3.739 0.897) 3.897 15.872 ( 1.036 3.739 0.938) 3.991 16.003 ( -2.850 -1.398 -0.673) 3.245 16.003 ( -2.443 -1.398 0.463) 2.853 16.003 ( 2.443 -1.398 -0.463) 2.853 16.003 ( 2.850 -1.398 0.673) 3.245 16.467 ( -0.629 1.315 -0.783) 1.654 16.467 ( 0.607 1.315 -0.782) 1.646 16.467 ( -0.607 1.315 0.782) 1.646 16.467 ( 0.629 1.315 0.783) 1.654 16.594 ( -0.301 -2.594 -0.865) 2.751 16.594 ( 0.279 -2.594 -0.864) 2.748 16.594 ( -0.279 -2.594 0.864) 2.748 16.594 ( 0.301 -2.594 0.865) 2.751 16.873 ( -3.396 3.236 -4.055) 6.201 16.873 ( 3.385 3.236 -4.054) 6.194 16.873 ( -3.385 3.236 4.054) 6.194 16.873 ( 3.396 3.236 4.055) 6.201 17.032 ( -2.824 -2.339 -1.623) 4.010 17.032 ( 2.175 -2.339 -1.508) 3.532 17.032 ( -2.175 -2.339 1.508) 3.532 17.032 ( 2.824 -2.339 1.623) 4.010 ======================= Grid point 98 (33/36) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -6.656 -8.251) 10.601 0.780 ( 0.000 6.656 -8.251) 10.601 0.780 ( 0.000 -6.656 8.251) 10.601 0.780 ( 0.000 6.656 8.251) 10.601 0.885 ( 0.000 -7.634 -9.958) 12.547 0.885 ( 0.000 7.634 -9.958) 12.547 0.885 ( 0.000 -7.634 9.958) 12.547 0.885 ( 0.000 7.634 9.958) 12.547 1.034 ( 0.000 -0.001 -5.473) 5.473 1.034 ( 0.000 0.001 -5.473) 5.473 1.034 ( 0.000 -0.001 5.473) 5.473 1.034 ( 0.000 0.001 5.473) 5.473 1.277 ( 0.000 -0.846 -2.477) 2.618 1.277 ( 0.000 0.846 -2.477) 2.618 1.277 ( 0.000 -0.846 2.477) 2.618 1.277 ( 0.000 0.846 2.477) 2.618 1.425 ( 0.000 -5.414 -1.691) 5.671 1.425 ( 0.000 -5.414 1.691) 5.671 1.425 ( 0.000 5.414 -1.691) 5.671 1.425 ( 0.000 5.414 1.691) 5.671 1.508 ( 0.000 -6.462 -4.956) 8.143 1.508 ( 0.000 6.462 -4.956) 8.143 1.508 ( 0.000 -6.462 4.956) 8.143 1.508 ( 0.000 6.462 4.956) 8.143 1.671 ( 0.000 -4.741 -2.579) 5.397 1.671 ( 0.000 -4.741 2.579) 5.397 1.671 ( 0.000 4.741 -2.579) 5.397 1.671 ( 0.000 4.741 2.579) 5.397 1.730 ( 0.000 -0.620 -1.279) 1.421 1.730 ( 0.000 0.620 -1.279) 1.421 1.730 ( 0.000 -0.620 1.279) 1.421 1.730 ( 0.000 0.620 1.279) 1.421 1.916 ( 0.000 -1.549 -1.914) 2.462 1.916 ( 0.000 1.549 -1.914) 2.462 1.916 ( 0.000 -1.549 1.914) 2.462 1.916 ( 0.000 1.549 1.914) 2.462 2.070 ( 0.000 -0.723 -2.866) 2.956 2.070 ( 0.000 0.723 -2.866) 2.956 2.070 ( 0.000 -0.723 2.866) 2.956 2.070 ( 0.000 0.723 2.866) 2.956 2.103 ( 0.000 -0.438 -2.805) 2.839 2.103 ( 0.000 0.438 -2.805) 2.839 2.103 ( 0.000 -0.438 2.805) 2.839 2.103 ( 0.000 0.438 2.805) 2.839 2.295 ( 0.000 -1.905 -1.625) 2.504 2.295 ( 0.000 1.905 -1.625) 2.504 2.295 ( 0.000 -1.905 1.625) 2.504 2.295 ( 0.000 1.905 1.625) 2.504 2.423 ( 0.000 -0.367 -1.073) 1.134 2.423 ( 0.000 0.367 -1.073) 1.134 2.423 ( 0.000 -0.367 1.073) 1.134 2.423 ( 0.000 0.367 1.073) 1.134 2.470 ( 0.000 -1.181 -1.280) 1.742 2.470 ( 0.000 1.181 -1.280) 1.742 2.470 ( 0.000 -1.181 1.280) 1.742 2.470 ( 0.000 1.181 1.280) 1.742 2.613 ( 0.000 -0.110 -0.953) 0.959 2.613 ( 0.000 0.110 -0.953) 0.959 2.613 ( 0.000 -0.110 0.953) 0.959 2.613 ( 0.000 0.110 0.953) 0.959 2.776 ( 0.000 -3.020 -4.856) 5.719 2.776 ( 0.000 3.020 -4.856) 5.719 2.776 ( 0.000 -3.020 4.856) 5.719 2.776 ( 0.000 3.020 4.856) 5.719 2.908 ( 0.000 -0.861 -3.503) 3.607 2.908 ( 0.000 0.861 -3.503) 3.607 2.908 ( 0.000 -0.861 3.503) 3.607 2.908 ( 0.000 0.861 3.503) 3.607 3.062 ( 0.000 -0.194 -3.002) 3.008 3.062 ( 0.000 0.194 -3.002) 3.008 3.062 ( 0.000 -0.194 3.002) 3.008 3.062 ( 0.000 0.194 3.002) 3.008 4.088 ( 0.000 -3.196 -1.438) 3.505 4.088 ( 0.000 -3.196 1.438) 3.505 4.088 ( 0.000 3.196 -1.438) 3.505 4.088 ( 0.000 3.196 1.438) 3.505 4.305 ( 0.000 -0.576 -2.218) 2.291 4.305 ( 0.000 0.576 -2.218) 2.291 4.305 ( 0.000 -0.576 2.218) 2.291 4.305 ( 0.000 0.576 2.218) 2.291 4.427 ( 0.000 -2.157 -3.709) 4.291 4.427 ( 0.000 2.157 -3.709) 4.291 4.427 ( 0.000 -2.157 3.709) 4.291 4.427 ( 0.000 2.157 3.709) 4.291 4.635 ( 0.000 -3.341 -1.278) 3.577 4.635 ( 0.000 -3.341 1.278) 3.577 4.635 ( 0.000 3.341 -1.278) 3.577 4.635 ( 0.000 3.341 1.278) 3.577 4.769 ( 0.000 -2.712 -2.473) 3.670 4.769 ( 0.000 2.712 -2.473) 3.670 4.769 ( 0.000 -2.712 2.473) 3.670 4.769 ( 0.000 2.712 2.473) 3.670 4.902 ( 0.000 -0.309 -6.741) 6.748 4.902 ( 0.000 0.309 -6.741) 6.748 4.902 ( 0.000 -0.309 6.741) 6.748 4.902 ( 0.000 0.309 6.741) 6.748 5.146 ( 0.000 -0.421 -1.863) 1.911 5.146 ( 0.000 0.421 -1.863) 1.911 5.146 ( 0.000 -0.421 1.863) 1.911 5.146 ( 0.000 0.421 1.863) 1.911 5.347 ( 0.000 -1.906 -0.535) 1.980 5.347 ( 0.000 -1.906 0.535) 1.980 5.347 ( 0.000 1.906 -0.535) 1.980 5.347 ( 0.000 1.906 0.535) 1.980 5.532 ( 0.000 -0.836 -1.113) 1.392 5.532 ( 0.000 0.836 -1.113) 1.392 5.532 ( 0.000 -0.836 1.113) 1.392 5.532 ( 0.000 0.836 1.113) 1.392 5.619 ( 0.000 -3.866 -3.373) 5.130 5.619 ( 0.000 3.866 -3.373) 5.130 5.619 ( 0.000 -3.866 3.373) 5.130 5.619 ( 0.000 3.866 3.373) 5.130 6.136 ( 0.000 -4.502 -6.366) 7.797 6.136 ( 0.000 4.502 -6.366) 7.797 6.136 ( 0.000 -4.502 6.366) 7.797 6.136 ( 0.000 4.502 6.366) 7.797 6.419 ( 0.000 -2.416 -4.146) 4.799 6.419 ( 0.000 2.416 -4.146) 4.799 6.419 ( 0.000 -2.416 4.146) 4.799 6.419 ( 0.000 2.416 4.146) 4.799 6.502 ( 0.000 -0.544 -1.730) 1.813 6.502 ( 0.000 0.544 -1.730) 1.813 6.502 ( 0.000 -0.544 1.730) 1.813 6.502 ( 0.000 0.544 1.730) 1.813 6.660 ( 0.000 -4.843 -2.946) 5.669 6.660 ( 0.000 -4.843 2.946) 5.669 6.660 ( 0.000 4.843 -2.946) 5.669 6.660 ( 0.000 4.843 2.946) 5.669 6.907 ( 0.000 -0.650 -2.102) 2.200 6.907 ( 0.000 0.650 -2.102) 2.200 6.907 ( 0.000 -0.650 2.102) 2.200 6.907 ( 0.000 0.650 2.102) 2.200 7.035 ( 0.000 -0.508 -1.351) 1.443 7.035 ( 0.000 0.508 -1.351) 1.443 7.035 ( 0.000 -0.508 1.351) 1.443 7.035 ( 0.000 0.508 1.351) 1.443 7.192 ( 0.000 -4.542 -3.528) 5.751 7.192 ( 0.000 4.542 -3.528) 5.751 7.192 ( 0.000 -4.542 3.528) 5.751 7.192 ( 0.000 4.542 3.528) 5.751 7.371 ( 0.000 -1.941 -3.379) 3.897 7.371 ( 0.000 1.941 -3.379) 3.897 7.371 ( 0.000 -1.941 3.379) 3.897 7.371 ( 0.000 1.941 3.379) 3.897 7.518 ( 0.000 -2.920 -4.368) 5.255 7.518 ( 0.000 2.920 -4.368) 5.255 7.518 ( 0.000 -2.920 4.368) 5.255 7.518 ( 0.000 2.920 4.368) 5.255 7.600 ( 0.000 -5.243 -4.114) 6.665 7.600 ( 0.000 5.243 -4.114) 6.665 7.600 ( 0.000 -5.243 4.114) 6.665 7.600 ( 0.000 5.243 4.114) 6.665 7.894 ( 0.000 -3.665 -5.874) 6.923 7.894 ( 0.000 3.665 -5.874) 6.923 7.894 ( 0.000 -3.665 5.874) 6.923 7.894 ( 0.000 3.665 5.874) 6.923 8.145 ( 0.000 -5.137 -3.147) 6.025 8.145 ( 0.000 -5.137 3.147) 6.025 8.145 ( 0.000 5.137 -3.147) 6.025 8.145 ( 0.000 5.137 3.147) 6.025 8.244 ( 0.000 -5.307 -1.520) 5.521 8.244 ( 0.000 -5.307 1.520) 5.521 8.244 ( 0.000 5.307 -1.520) 5.521 8.244 ( 0.000 5.307 1.520) 5.521 8.746 ( 0.000 -5.637 -6.850) 8.871 8.746 ( 0.000 5.637 -6.850) 8.871 8.746 ( 0.000 -5.637 6.850) 8.871 8.746 ( 0.000 5.637 6.850) 8.871 13.395 ( 0.000 -2.031 -2.372) 3.122 13.395 ( 0.000 2.031 -2.372) 3.122 13.395 ( 0.000 -2.031 2.372) 3.122 13.395 ( 0.000 2.031 2.372) 3.122 13.628 ( 0.000 -2.225 -1.146) 2.503 13.628 ( 0.000 -2.225 1.146) 2.503 13.628 ( 0.000 2.225 -1.146) 2.503 13.628 ( 0.000 2.225 1.146) 2.503 13.850 ( 0.000 -0.299 -3.541) 3.554 13.850 ( 0.000 0.299 -3.541) 3.554 13.850 ( 0.000 -0.299 3.541) 3.554 13.850 ( 0.000 0.299 3.541) 3.554 14.158 ( 0.000 -4.176 -4.679) 6.272 14.158 ( 0.000 4.176 -4.679) 6.272 14.158 ( 0.000 -4.176 4.679) 6.272 14.158 ( 0.000 4.176 4.679) 6.272 15.556 ( 0.000 -1.314 -2.602) 2.915 15.556 ( 0.000 1.314 -2.602) 2.915 15.556 ( 0.000 -1.314 2.602) 2.915 15.556 ( 0.000 1.314 2.602) 2.915 15.732 ( 0.000 -3.797 -7.521) 8.425 15.732 ( 0.000 3.797 -7.521) 8.425 15.732 ( 0.000 -3.797 7.521) 8.425 15.732 ( 0.000 3.797 7.521) 8.425 16.051 ( 0.000 -5.279 -1.378) 5.456 16.051 ( 0.000 -5.279 1.378) 5.456 16.051 ( 0.000 5.279 -1.378) 5.456 16.051 ( 0.000 5.279 1.378) 5.456 16.157 ( 0.000 -0.000 -1.327) 1.327 16.157 ( 0.000 -0.000 1.327) 1.327 16.157 ( 0.000 0.000 -1.327) 1.327 16.157 ( 0.000 0.000 1.327) 1.327 16.358 ( 0.000 -1.465 -0.745) 1.643 16.358 ( 0.000 -1.465 0.745) 1.643 16.358 ( 0.000 1.465 -0.745) 1.643 16.358 ( 0.000 1.465 0.745) 1.643 16.447 ( 0.000 -0.643 -1.744) 1.859 16.447 ( 0.000 0.643 -1.744) 1.859 16.447 ( 0.000 -0.643 1.744) 1.859 16.447 ( 0.000 0.643 1.744) 1.859 16.697 ( 0.000 -3.135 -0.813) 3.239 16.697 ( 0.000 -3.135 0.813) 3.239 16.697 ( 0.000 3.135 -0.813) 3.239 16.697 ( 0.000 3.135 0.813) 3.239 16.900 ( 0.000 -4.683 -7.532) 8.869 16.900 ( 0.000 4.683 -7.532) 8.869 16.900 ( 0.000 -4.683 7.532) 8.869 16.900 ( 0.000 4.683 7.532) 8.869 ======================= Grid point 102 (34/36) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 3.684 -0.000 -8.079) 8.879 0.800 ( 3.684 -0.000 8.079) 8.879 0.834 ( 4.470 0.000 -4.196) 6.131 0.834 ( 4.470 0.000 4.196) 6.131 0.957 ( 4.220 -0.000 -5.899) 7.253 0.957 ( 4.220 -0.000 5.899) 7.253 0.964 ( 4.042 0.000 -5.499) 6.824 0.964 ( 4.042 0.000 5.499) 6.824 1.081 ( 5.405 0.000 -2.728) 6.055 1.081 ( 5.405 -0.000 2.728) 6.055 1.106 ( 7.278 0.000 -6.114) 9.505 1.106 ( 7.278 0.000 6.114) 9.505 1.271 ( 0.638 0.000 -2.436) 2.518 1.271 ( 0.638 0.000 2.436) 2.518 1.282 ( -0.417 -0.000 -3.091) 3.119 1.282 ( -0.417 0.000 3.091) 3.119 1.400 ( -1.035 -0.000 -2.060) 2.305 1.400 ( -1.035 0.000 2.060) 2.305 1.464 ( 1.978 -0.000 -0.632) 2.077 1.464 ( 1.978 0.000 0.632) 2.077 1.539 ( 3.024 -0.000 -4.115) 5.107 1.539 ( 3.024 -0.000 4.115) 5.107 1.562 ( 2.923 0.000 -5.097) 5.876 1.562 ( 2.923 0.000 5.097) 5.876 1.646 ( -1.590 0.000 -1.221) 2.005 1.646 ( -1.590 0.000 1.221) 2.005 1.681 ( 0.673 0.000 -0.610) 0.908 1.681 ( 0.673 0.000 0.610) 0.908 1.735 ( 0.797 0.000 -1.350) 1.568 1.735 ( 0.797 0.000 1.350) 1.568 1.747 ( 0.186 0.000 -4.200) 4.204 1.747 ( 0.186 -0.000 4.200) 4.204 1.933 ( 0.745 -0.000 -0.207) 0.774 1.933 ( 0.745 0.000 0.207) 0.774 1.965 ( 2.936 0.000 -6.275) 6.928 1.965 ( 2.936 0.000 6.275) 6.928 2.022 ( -0.879 0.000 -2.180) 2.351 2.022 ( -0.879 0.000 2.180) 2.351 2.045 ( -0.435 0.000 -4.169) 4.192 2.045 ( -0.435 0.000 4.169) 4.192 2.148 ( 2.962 0.000 -1.158) 3.180 2.148 ( 2.962 0.000 1.158) 3.180 2.155 ( 4.217 0.000 -0.840) 4.300 2.155 ( 4.217 -0.000 0.840) 4.300 2.291 ( -0.188 0.000 -2.976) 2.982 2.291 ( -0.188 -0.000 2.976) 2.982 2.291 ( -0.046 0.000 -1.986) 1.986 2.291 ( -0.046 0.000 1.986) 1.986 2.370 ( -1.799 0.000 -2.298) 2.919 2.370 ( -1.799 0.000 2.298) 2.919 2.416 ( -2.403 0.000 -1.179) 2.676 2.416 ( -2.403 0.000 1.179) 2.676 2.472 ( 0.433 -0.000 -0.819) 0.926 2.472 ( 0.433 0.000 0.819) 0.926 2.479 ( 0.109 0.000 -1.596) 1.599 2.479 ( 0.109 0.000 1.596) 1.599 2.615 ( 0.115 0.000 -2.120) 2.123 2.615 ( 0.115 0.000 2.120) 2.123 2.622 ( 0.584 0.000 -1.324) 1.447 2.622 ( 0.584 -0.000 1.324) 1.447 2.762 ( -0.288 0.000 -4.371) 4.381 2.762 ( -0.288 0.000 4.371) 4.381 2.783 ( -0.252 0.000 -2.993) 3.004 2.783 ( -0.252 0.000 2.993) 3.004 2.873 ( -0.863 0.000 -2.345) 2.499 2.873 ( -0.863 0.000 2.345) 2.499 2.930 ( -1.056 0.000 -2.964) 3.146 2.930 ( -1.056 0.000 2.964) 3.146 3.039 ( 0.564 0.000 -3.452) 3.498 3.039 ( 0.564 0.000 3.452) 3.498 3.095 ( 1.112 0.000 -2.526) 2.760 3.095 ( 1.112 0.000 2.526) 2.760 4.125 ( 3.714 -0.000 -1.657) 4.067 4.125 ( 3.714 -0.000 1.657) 4.067 4.139 ( 4.314 0.000 -1.158) 4.466 4.139 ( 4.314 0.000 1.158) 4.466 4.317 ( 1.057 0.000 -2.238) 2.475 4.317 ( 1.057 0.000 2.238) 2.475 4.331 ( 2.525 0.000 -2.028) 3.239 4.331 ( 2.525 0.000 2.028) 3.239 4.427 ( 1.059 0.000 -2.706) 2.906 4.427 ( 1.059 0.000 2.706) 2.906 4.453 ( 1.322 -0.000 -3.297) 3.552 4.453 ( 1.322 0.000 3.297) 3.552 4.599 ( -1.796 0.000 -0.712) 1.932 4.599 ( -1.796 -0.000 0.712) 1.932 4.635 ( -1.150 0.000 -1.978) 2.288 4.635 ( -1.150 0.000 1.978) 2.288 4.772 ( 0.722 0.000 -2.060) 2.183 4.772 ( 0.722 0.000 2.060) 2.183 4.780 ( -0.232 0.000 -2.992) 3.001 4.780 ( -0.232 0.000 2.992) 3.001 4.851 ( -0.872 0.000 -5.225) 5.297 4.851 ( -0.872 0.000 5.225) 5.297 4.950 ( 1.032 0.000 -5.806) 5.897 4.950 ( 1.032 0.000 5.806) 5.897 5.162 ( 1.715 -0.000 -1.705) 2.418 5.162 ( 1.715 0.000 1.705) 2.418 5.163 ( 1.731 -0.000 -2.588) 3.114 5.163 ( 1.731 0.000 2.588) 3.114 5.360 ( 1.074 0.000 -1.215) 1.622 5.360 ( 1.074 0.000 1.215) 1.622 5.378 ( 1.976 -0.000 -2.193) 2.952 5.378 ( 1.976 0.000 2.193) 2.952 5.522 ( -0.617 0.000 -2.815) 2.882 5.522 ( -0.617 0.000 2.815) 2.882 5.536 ( -0.151 0.000 -1.434) 1.442 5.536 ( -0.151 0.000 1.434) 1.442 5.604 ( -0.055 0.000 -3.195) 3.196 5.604 ( -0.055 0.000 3.195) 3.196 5.669 ( 2.677 -0.000 -1.907) 3.287 5.669 ( 2.677 0.000 1.907) 3.287 6.099 ( -1.502 0.000 -5.462) 5.665 6.099 ( -1.502 0.000 5.462) 5.665 6.169 ( 1.339 0.000 -6.511) 6.647 6.169 ( 1.339 0.000 6.511) 6.647 6.369 ( -2.950 0.000 -2.084) 3.612 6.369 ( -2.950 0.000 2.084) 3.612 6.434 ( -0.668 -0.000 -5.865) 5.903 6.434 ( -0.668 0.000 5.865) 5.903 6.521 ( 2.155 0.000 -1.197) 2.465 6.521 ( 2.155 0.000 1.197) 2.465 6.535 ( 2.460 0.000 -3.314) 4.127 6.535 ( 2.460 0.000 3.315) 4.127 6.623 ( -0.678 0.000 -1.209) 1.386 6.623 ( -0.678 0.000 1.209) 1.386 6.727 ( 2.950 0.000 -3.239) 4.382 6.727 ( 2.950 0.000 3.239) 4.382 6.898 ( -0.613 0.000 -1.939) 2.034 6.898 ( -0.613 0.000 1.939) 2.034 6.903 ( 1.712 -0.000 -1.687) 2.404 6.903 ( 1.712 0.000 1.687) 2.404 7.046 ( -0.694 -0.000 -6.557) 6.594 7.046 ( -0.694 -0.000 6.557) 6.594 7.049 ( 2.171 0.000 -0.778) 2.306 7.049 ( 2.171 0.000 0.778) 2.306 7.172 ( 1.104 0.000 -1.900) 2.198 7.172 ( 1.104 0.000 1.900) 2.198 7.234 ( 0.627 -0.000 -1.649) 1.764 7.234 ( 0.627 -0.000 1.649) 1.764 7.324 ( -1.932 0.000 -2.003) 2.783 7.324 ( -1.932 -0.000 2.003) 2.783 7.356 ( -3.937 0.000 -2.500) 4.663 7.356 ( -3.937 0.000 2.500) 4.663 7.467 ( -1.743 0.000 -5.798) 6.054 7.467 ( -1.743 0.000 5.798) 6.054 7.513 ( -1.716 0.000 -1.179) 2.082 7.513 ( -1.716 0.000 1.179) 2.082 7.628 ( 1.321 0.000 -4.800) 4.978 7.628 ( 1.321 0.000 4.800) 4.978 7.631 ( 2.707 -0.000 -0.554) 2.764 7.631 ( 2.707 -0.000 0.554) 2.764 7.840 ( -4.772 -0.000 -3.581) 5.966 7.840 ( -4.772 -0.000 3.581) 5.966 7.885 ( -1.496 0.000 -6.370) 6.543 7.885 ( -1.496 0.000 6.370) 6.543 8.096 ( -3.512 0.000 -4.720) 5.883 8.096 ( -3.512 0.000 4.720) 5.883 8.137 ( -2.071 0.000 -2.908) 3.570 8.137 ( -2.071 -0.000 2.908) 3.570 8.243 ( 1.060 0.000 -2.431) 2.652 8.243 ( 1.060 -0.000 2.431) 2.652 8.260 ( 1.082 0.000 -2.238) 2.486 8.260 ( 1.082 0.000 2.238) 2.486 8.683 ( -5.219 -0.000 -6.954) 8.695 8.683 ( -5.219 -0.000 6.954) 8.695 8.702 ( -4.650 0.000 -6.313) 7.840 8.702 ( -4.650 0.000 6.313) 7.840 13.405 ( 1.138 0.000 -2.560) 2.801 13.405 ( 1.138 0.000 2.560) 2.801 13.410 ( 1.307 -0.000 -2.083) 2.460 13.410 ( 1.307 -0.000 2.083) 2.460 13.611 ( -1.809 0.000 -1.415) 2.297 13.611 ( -1.809 0.000 1.415) 2.297 13.615 ( -0.948 0.000 -0.991) 1.371 13.615 ( -0.948 -0.000 0.991) 1.371 13.837 ( -0.255 0.000 -3.675) 3.684 13.837 ( -0.255 -0.000 3.675) 3.684 13.839 ( -1.452 0.000 -2.201) 2.637 13.839 ( -1.452 -0.000 2.201) 2.637 14.104 ( -4.529 0.000 -3.533) 5.744 14.104 ( -4.529 -0.000 3.533) 5.744 14.129 ( -3.437 -0.000 -4.864) 5.955 14.129 ( -3.437 0.000 4.864) 5.955 15.529 ( -1.443 0.000 -2.236) 2.662 15.529 ( -1.443 0.000 2.236) 2.662 15.572 ( 0.429 0.000 -2.942) 2.973 15.572 ( 0.429 0.000 2.942) 2.973 15.653 ( -4.540 0.000 -6.897) 8.257 15.653 ( -4.540 0.000 6.897) 8.257 15.742 ( -1.455 0.000 -6.596) 6.755 15.742 ( -1.455 0.000 6.596) 6.755 15.971 ( -4.333 -0.000 -0.179) 4.336 15.971 ( -4.333 -0.000 0.179) 4.336 15.978 ( -4.290 0.000 -1.072) 4.422 15.978 ( -4.290 0.000 1.072) 4.422 16.090 ( -3.587 -0.000 -0.309) 3.600 16.090 ( -3.587 -0.000 0.309) 3.600 16.165 ( -6.120 0.000 -2.259) 6.524 16.165 ( -6.120 0.000 2.259) 6.524 16.358 ( 5.060 0.000 -1.546) 5.291 16.358 ( 5.060 0.000 1.546) 5.291 16.439 ( 4.071 -0.000 -0.870) 4.163 16.439 ( 4.071 0.000 0.870) 4.163 16.482 ( 3.533 0.000 -1.489) 3.834 16.482 ( 3.533 0.000 1.489) 3.834 16.518 ( 2.946 0.000 -1.600) 3.353 16.518 ( 2.946 0.000 1.600) 3.353 16.736 ( 4.225 -0.000 -0.355) 4.240 16.736 ( 4.225 -0.000 0.355) 4.240 16.739 ( 4.179 0.000 -0.901) 4.275 16.739 ( 4.179 0.000 0.901) 4.275 16.924 ( 2.577 -0.000 -6.958) 7.420 16.924 ( 2.577 -0.000 6.958) 7.420 16.957 ( 3.782 0.000 -7.436) 8.342 16.957 ( 3.782 0.000 7.436) 8.342 ======================= Grid point 106 (35/36) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 6.057 -0.000 -3.559) 7.026 0.910 ( 6.057 -0.000 3.559) 7.026 0.923 ( 3.748 0.000 -1.487) 4.032 0.923 ( 3.748 0.000 1.487) 4.032 1.013 ( 2.158 0.000 -5.052) 5.494 1.013 ( 2.158 -0.000 5.052) 5.494 1.048 ( 4.081 0.000 -4.236) 5.882 1.048 ( 4.081 0.000 4.236) 5.882 1.163 ( 2.596 0.000 -1.854) 3.190 1.163 ( 2.596 0.000 1.854) 3.190 1.223 ( 0.425 0.000 -3.499) 3.525 1.223 ( 0.425 0.000 3.499) 3.525 1.291 ( 2.885 0.000 -4.069) 4.988 1.291 ( 2.885 -0.000 4.069) 4.988 1.296 ( 0.371 0.000 -3.664) 3.683 1.296 ( 0.371 0.000 3.664) 3.683 1.387 ( 0.234 -0.000 -4.263) 4.269 1.387 ( 0.234 0.000 4.263) 4.269 1.470 ( -2.223 0.000 -2.075) 3.041 1.470 ( -2.223 0.000 2.075) 3.041 1.579 ( 0.824 0.000 -1.966) 2.131 1.579 ( 0.824 -0.000 1.966) 2.131 1.583 ( 0.537 0.000 -3.415) 3.457 1.583 ( 0.537 0.000 3.415) 3.457 1.661 ( 2.657 -0.000 -2.033) 3.346 1.661 ( 2.657 0.000 2.033) 3.346 1.690 ( -0.414 0.000 -1.087) 1.163 1.690 ( -0.414 0.000 1.087) 1.163 1.732 ( -0.821 0.000 -3.764) 3.853 1.732 ( -0.821 0.000 3.764) 3.853 1.762 ( 1.384 0.000 -2.904) 3.216 1.762 ( 1.384 -0.000 2.904) 3.216 1.905 ( -0.836 -0.000 -1.670) 1.867 1.905 ( -0.836 0.000 1.670) 1.867 1.999 ( 0.950 0.000 -5.887) 5.963 1.999 ( 0.950 0.000 5.887) 5.963 2.079 ( 3.069 0.000 -4.646) 5.568 2.079 ( 3.069 0.000 4.646) 5.568 2.094 ( 4.318 0.000 -1.290) 4.507 2.094 ( 4.318 -0.000 1.290) 4.507 2.132 ( -2.694 0.000 -2.457) 3.646 2.132 ( -2.694 -0.000 2.457) 3.646 2.237 ( 3.232 0.000 -2.491) 4.081 2.237 ( 3.232 0.000 2.491) 4.081 2.310 ( 1.266 0.000 -2.052) 2.411 2.310 ( 1.266 0.000 2.052) 2.411 2.345 ( 0.880 0.000 -3.361) 3.474 2.345 ( 0.880 -0.000 3.361) 3.474 2.367 ( -1.284 0.000 -3.349) 3.586 2.367 ( -1.284 -0.000 3.349) 3.586 2.371 ( 3.822 0.000 -1.469) 4.094 2.371 ( 3.822 0.000 1.469) 4.094 2.456 ( -1.644 -0.000 -1.756) 2.405 2.456 ( -1.644 -0.000 1.756) 2.405 2.485 ( -0.002 0.000 -3.037) 3.037 2.485 ( -0.002 0.000 3.037) 3.037 2.616 ( -0.108 0.000 -1.612) 1.615 2.616 ( -0.108 0.000 1.612) 1.615 2.623 ( -0.618 -0.000 -2.341) 2.421 2.623 ( -0.618 -0.000 2.341) 2.421 2.776 ( 0.402 0.000 -0.681) 0.790 2.776 ( 0.402 0.000 0.681) 0.790 2.781 ( 2.333 -0.000 -2.660) 3.538 2.781 ( 2.333 -0.000 2.660) 3.538 2.865 ( -0.443 0.000 -1.716) 1.772 2.865 ( -0.443 -0.000 1.716) 1.772 2.893 ( -1.591 0.000 -2.428) 2.903 2.893 ( -1.591 0.000 2.428) 2.903 3.062 ( 0.982 0.000 -1.531) 1.819 3.062 ( 0.982 0.000 1.531) 1.819 3.102 ( -0.417 0.000 -1.665) 1.717 3.102 ( -0.417 0.000 1.665) 1.717 4.213 ( 4.344 -0.000 -1.232) 4.515 4.213 ( 4.344 0.000 1.232) 4.515 4.241 ( 5.129 0.000 -1.032) 5.232 4.241 ( 5.129 0.000 1.032) 5.232 4.330 ( 0.050 0.000 -2.279) 2.280 4.330 ( 0.050 0.000 2.279) 2.280 4.388 ( 1.754 0.000 -1.394) 2.241 4.388 ( 1.754 -0.000 1.394) 2.241 4.470 ( 3.114 0.000 -2.364) 3.910 4.470 ( 3.114 0.000 2.364) 3.910 4.477 ( 1.567 -0.000 -2.815) 3.221 4.477 ( 1.567 -0.000 2.815) 3.221 4.575 ( -0.607 0.000 -1.539) 1.655 4.575 ( -0.607 0.000 1.539) 1.655 4.611 ( -0.653 0.000 -2.071) 2.172 4.611 ( -0.653 0.000 2.071) 2.172 4.770 ( 0.113 -0.000 -3.417) 3.419 4.770 ( 0.113 0.000 3.417) 3.419 4.796 ( 1.486 0.000 -2.221) 2.673 4.796 ( 1.486 0.000 2.221) 2.673 4.843 ( -0.730 0.000 -3.681) 3.753 4.843 ( -0.730 -0.000 3.681) 3.753 4.928 ( -3.555 0.000 -4.934) 6.082 4.928 ( -3.555 0.000 4.934) 6.082 5.227 ( 5.011 0.000 -2.307) 5.517 5.227 ( 5.011 -0.000 2.307) 5.517 5.238 ( 6.232 -0.000 -3.698) 7.247 5.238 ( 6.232 0.000 3.698) 7.247 5.380 ( 0.837 0.000 -1.988) 2.157 5.380 ( 0.837 0.000 1.988) 2.157 5.391 ( -0.802 -0.000 -0.940) 1.236 5.391 ( -0.802 0.000 0.940) 1.236 5.510 ( -0.376 0.000 -3.261) 3.283 5.510 ( -0.376 0.000 3.261) 3.283 5.525 ( -0.939 0.000 -3.095) 3.235 5.525 ( -0.939 0.000 3.095) 3.235 5.592 ( -1.914 0.000 -3.207) 3.735 5.592 ( -1.914 0.000 3.207) 3.735 5.668 ( -3.802 -0.000 -2.438) 4.517 5.668 ( -3.802 0.000 2.438) 4.517 6.093 ( 1.235 0.000 -3.425) 3.641 6.093 ( 1.235 0.000 3.425) 3.641 6.186 ( -0.176 0.000 -5.021) 5.024 6.186 ( -0.176 -0.000 5.021) 5.024 6.314 ( -1.757 0.000 -2.020) 2.677 6.314 ( -1.757 0.000 2.020) 2.677 6.390 ( -3.318 0.000 -5.127) 6.107 6.390 ( -3.318 0.000 5.127) 6.107 6.574 ( 2.572 -0.000 -2.131) 3.340 6.574 ( 2.572 0.000 2.131) 3.340 6.580 ( 1.795 -0.000 -3.210) 3.678 6.580 ( 1.795 0.000 3.210) 3.678 6.642 ( 2.308 0.000 -0.309) 2.328 6.642 ( 2.308 0.000 0.309) 2.328 6.737 ( -1.485 0.000 -0.967) 1.772 6.737 ( -1.485 0.000 0.967) 1.772 6.916 ( 2.768 0.000 -1.112) 2.983 6.916 ( 2.768 0.000 1.112) 2.983 6.977 ( 1.214 0.000 -0.972) 1.556 6.977 ( 1.214 0.000 0.972) 1.556 7.068 ( 6.265 0.000 -5.663) 8.445 7.068 ( 6.265 0.000 5.663) 8.445 7.090 ( -0.154 0.000 -1.543) 1.551 7.090 ( -0.154 -0.000 1.543) 1.551 7.202 ( -1.320 0.000 -1.484) 1.986 7.202 ( -1.320 -0.000 1.484) 1.986 7.206 ( 0.242 -0.000 -1.713) 1.730 7.206 ( 0.242 0.000 1.713) 1.730 7.264 ( -0.457 -0.000 -0.725) 0.857 7.264 ( -0.457 0.000 0.725) 0.857 7.334 ( 1.237 0.000 -3.284) 3.509 7.334 ( 1.237 0.000 3.284) 3.509 7.436 ( -2.154 0.000 -4.287) 4.798 7.436 ( -2.154 0.000 4.287) 4.798 7.488 ( -0.161 0.000 -1.918) 1.924 7.488 ( -0.161 0.000 1.918) 1.924 7.627 ( -1.949 0.000 -4.185) 4.617 7.627 ( -1.949 0.000 4.185) 4.617 7.629 ( -6.273 -0.000 -2.405) 6.718 7.629 ( -6.273 -0.000 2.405) 6.718 7.749 ( -0.702 0.000 -4.376) 4.432 7.749 ( -0.702 0.000 4.376) 4.432 7.838 ( -3.038 0.000 -4.871) 5.741 7.838 ( -3.038 0.000 4.871) 5.741 8.032 ( -1.914 -0.000 -3.507) 3.996 8.032 ( -1.914 0.000 3.507) 3.996 8.081 ( -2.968 0.000 -2.305) 3.758 8.081 ( -2.968 0.000 2.305) 3.758 8.285 ( 2.863 0.000 -2.337) 3.696 8.285 ( 2.863 -0.000 2.337) 3.696 8.295 ( 2.417 -0.000 -2.470) 3.456 8.295 ( 2.417 0.000 2.470) 3.456 8.566 ( -5.667 -0.000 -6.460) 8.594 8.566 ( -5.667 -0.000 6.460) 8.594 8.586 ( -6.127 0.000 -5.777) 8.421 8.586 ( -6.127 0.000 5.777) 8.421 13.440 ( 2.236 0.000 -2.269) 3.186 13.440 ( 2.236 0.000 2.269) 3.186 13.447 ( 2.274 -0.000 -1.690) 2.833 13.447 ( 2.274 -0.000 1.690) 2.833 13.568 ( -2.156 0.000 -1.365) 2.552 13.568 ( -2.156 0.000 1.365) 2.552 13.587 ( -2.019 0.000 -2.284) 3.048 13.587 ( -2.019 -0.000 2.284) 3.048 13.819 ( 0.228 -0.000 -0.952) 0.979 13.819 ( 0.228 0.000 0.952) 0.979 13.850 ( 1.537 0.000 -1.297) 2.011 13.850 ( 1.537 -0.000 1.297) 2.011 13.995 ( -5.695 0.000 -2.163) 6.092 13.995 ( -5.695 0.000 2.163) 6.092 14.036 ( -5.330 0.000 -3.886) 6.596 14.036 ( -5.330 0.000 3.886) 6.596 15.505 ( -0.773 0.000 -1.877) 2.030 15.505 ( -0.773 0.000 1.877) 2.030 15.547 ( -2.844 0.000 -2.298) 3.656 15.547 ( -2.844 0.000 2.298) 3.656 15.608 ( 0.479 0.000 -1.842) 1.904 15.608 ( 0.479 0.000 1.842) 1.904 15.689 ( -3.132 0.000 -4.502) 5.484 15.689 ( -3.132 0.000 4.502) 5.484 15.925 ( -0.486 -0.000 -0.816) 0.949 15.925 ( -0.486 -0.000 0.816) 0.949 15.925 ( -1.022 0.000 -0.420) 1.105 15.925 ( -1.022 0.000 0.420) 1.105 16.017 ( -3.325 -0.000 -1.003) 3.473 16.017 ( -3.325 -0.000 1.003) 3.473 16.039 ( -5.359 0.000 -2.005) 5.722 16.039 ( -5.359 0.000 2.005) 5.722 16.446 ( 3.219 0.000 -1.260) 3.457 16.446 ( 3.219 0.000 1.260) 3.457 16.491 ( 1.033 0.000 -0.577) 1.184 16.491 ( 1.033 -0.000 0.577) 1.184 16.537 ( 1.815 -0.000 -0.972) 2.059 16.537 ( 1.815 0.000 0.972) 2.059 16.554 ( 0.887 -0.000 -1.311) 1.583 16.554 ( 0.887 0.000 1.311) 1.583 16.847 ( 5.577 -0.000 -0.486) 5.598 16.847 ( 5.577 -0.000 0.486) 5.598 16.850 ( 6.085 0.000 -2.145) 6.452 16.850 ( 6.085 0.000 2.145) 6.452 16.971 ( 1.554 0.000 -5.341) 5.563 16.971 ( 1.554 -0.000 5.341) 5.563 17.009 ( 0.869 0.000 -5.456) 5.525 17.009 ( 0.869 0.000 5.456) 5.525 ======================= Grid point 110 (36/36) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.554 0.000 -2.106) 2.178 0.973 ( 0.554 0.000 -2.106) 2.178 0.973 ( -0.554 0.000 2.106) 2.178 0.973 ( 0.554 0.000 2.106) 2.178 1.064 ( -2.319 0.000 -3.408) 4.122 1.064 ( 2.319 -0.000 -3.408) 4.122 1.064 ( -2.319 0.000 3.408) 4.122 1.064 ( 2.319 0.000 3.408) 4.122 1.210 ( -0.841 0.000 -3.416) 3.518 1.210 ( 0.841 0.000 -3.416) 3.518 1.210 ( -0.841 0.000 3.416) 3.518 1.210 ( 0.841 0.000 3.416) 3.518 1.299 ( -1.731 0.000 -5.620) 5.881 1.299 ( 1.731 0.000 -5.620) 5.881 1.299 ( -1.731 0.000 5.620) 5.881 1.299 ( 1.731 0.000 5.620) 5.881 1.414 ( -2.148 0.000 -0.952) 2.349 1.414 ( 2.148 0.000 -0.952) 2.349 1.414 ( -2.148 0.000 0.952) 2.349 1.414 ( 2.148 0.000 0.952) 2.349 1.587 ( -0.209 0.000 -2.858) 2.866 1.587 ( 0.209 0.000 -2.858) 2.866 1.587 ( -0.209 -0.000 2.858) 2.866 1.587 ( 0.209 0.000 2.858) 2.866 1.686 ( -0.292 0.000 -1.864) 1.887 1.686 ( 0.292 0.000 -1.864) 1.887 1.686 ( -0.292 0.000 1.864) 1.887 1.686 ( 0.292 0.000 1.864) 1.887 1.752 ( -2.320 0.000 -1.662) 2.854 1.752 ( 2.320 0.000 -1.662) 2.854 1.752 ( -2.320 0.000 1.662) 2.854 1.752 ( 2.320 0.000 1.662) 2.854 1.951 ( -4.724 -0.000 -1.403) 4.928 1.951 ( -4.724 0.000 1.403) 4.928 1.951 ( 4.724 0.000 -1.403) 4.928 1.951 ( 4.724 0.000 1.403) 4.928 2.101 ( -2.038 0.000 -0.651) 2.140 2.101 ( -2.038 0.000 0.651) 2.140 2.101 ( 2.038 -0.000 -0.651) 2.140 2.101 ( 2.038 0.000 0.651) 2.140 2.218 ( -6.177 0.000 -2.225) 6.565 2.218 ( 6.177 0.000 -2.225) 6.565 2.218 ( -6.177 0.000 2.225) 6.565 2.218 ( 6.177 0.000 2.225) 6.565 2.334 ( -1.416 0.000 -2.080) 2.516 2.334 ( 1.416 0.000 -2.080) 2.516 2.334 ( -1.416 0.000 2.080) 2.516 2.334 ( 1.416 0.000 2.080) 2.516 2.402 ( -2.842 -0.000 -3.565) 4.559 2.402 ( 2.842 0.000 -3.565) 4.559 2.402 ( -2.842 0.000 3.565) 4.559 2.402 ( 2.842 0.000 3.565) 4.559 2.450 ( -1.440 0.000 -2.569) 2.945 2.450 ( 1.440 0.000 -2.569) 2.945 2.450 ( -1.440 0.000 2.569) 2.945 2.450 ( 1.440 0.000 2.569) 2.945 2.613 ( -0.045 0.000 -1.558) 1.559 2.613 ( 0.045 0.000 -1.558) 1.559 2.613 ( -0.045 0.000 1.558) 1.559 2.613 ( 0.045 0.000 1.558) 1.559 2.807 ( -1.290 0.000 -1.286) 1.821 2.807 ( 1.290 -0.000 -1.286) 1.821 2.807 ( -1.290 -0.000 1.286) 1.821 2.807 ( 1.290 -0.000 1.286) 1.821 2.866 ( -1.292 0.000 -1.306) 1.837 2.866 ( 1.292 0.000 -1.306) 1.837 2.866 ( -1.292 0.000 1.306) 1.837 2.866 ( 1.292 0.000 1.306) 1.837 3.082 ( -1.268 0.000 -0.623) 1.413 3.082 ( 1.268 0.000 -0.623) 1.413 3.082 ( -1.268 0.000 0.623) 1.413 3.082 ( 1.268 0.000 0.623) 1.413 4.279 ( -1.893 0.000 -1.717) 2.556 4.279 ( 1.893 0.000 -1.717) 2.556 4.279 ( -1.893 0.000 1.717) 2.556 4.279 ( 1.893 0.000 1.717) 2.556 4.362 ( -3.328 0.000 -0.786) 3.420 4.362 ( -3.328 0.000 0.786) 3.420 4.362 ( 3.328 0.000 -0.786) 3.420 4.362 ( 3.328 0.000 0.786) 3.420 4.512 ( -0.500 0.000 -2.403) 2.455 4.512 ( 0.500 0.000 -2.403) 2.455 4.512 ( -0.500 0.000 2.403) 2.455 4.512 ( 0.500 0.000 2.403) 2.455 4.586 ( -2.124 0.000 -0.274) 2.142 4.586 ( -2.124 0.000 0.274) 2.142 4.586 ( 2.124 0.000 -0.274) 2.142 4.586 ( 2.124 -0.000 0.274) 2.142 4.820 ( -1.205 -0.000 -3.532) 3.732 4.820 ( 1.205 -0.000 -3.532) 3.732 4.820 ( -1.205 -0.000 3.532) 3.732 4.820 ( 1.205 -0.000 3.532) 3.732 4.828 ( -3.047 0.000 -4.271) 5.246 4.828 ( 3.047 0.000 -4.271) 5.246 4.828 ( -3.047 0.000 4.271) 5.246 4.828 ( 3.047 0.000 4.271) 5.246 5.336 ( -4.029 0.000 -2.679) 4.838 5.336 ( 4.029 0.000 -2.679) 4.838 5.336 ( -4.029 0.000 2.679) 4.838 5.336 ( 4.029 0.000 2.679) 4.838 5.370 ( -3.020 0.000 -1.314) 3.293 5.370 ( 3.020 0.000 -1.314) 3.293 5.370 ( -3.020 0.000 1.314) 3.293 5.370 ( 3.020 0.000 1.314) 3.293 5.513 ( -0.280 0.000 -4.477) 4.486 5.513 ( 0.280 0.000 -4.477) 4.486 5.513 ( -0.280 0.000 4.477) 4.486 5.513 ( 0.280 0.000 4.477) 4.486 5.565 ( -2.552 0.000 -4.795) 5.432 5.565 ( 2.552 -0.000 -4.795) 5.432 5.565 ( -2.552 0.000 4.795) 5.432 5.565 ( 2.552 0.000 4.795) 5.432 6.145 ( -3.269 0.000 -0.208) 3.276 6.145 ( -3.269 0.000 0.208) 3.276 6.145 ( 3.269 0.000 -0.208) 3.276 6.145 ( 3.269 0.000 0.208) 3.276 6.326 ( -2.538 0.000 -3.196) 4.081 6.326 ( 2.538 0.000 -3.196) 4.081 6.326 ( -2.538 0.000 3.196) 4.081 6.326 ( 2.538 0.000 3.196) 4.081 6.603 ( -0.041 0.000 -2.280) 2.280 6.603 ( 0.041 0.000 -2.280) 2.280 6.603 ( -0.041 0.000 2.280) 2.280 6.603 ( 0.041 0.000 2.280) 2.280 6.693 ( -2.539 0.000 -0.545) 2.597 6.693 ( -2.539 0.000 0.545) 2.597 6.693 ( 2.539 0.000 -0.545) 2.597 6.693 ( 2.539 0.000 0.545) 2.597 6.978 ( -1.280 0.000 -0.861) 1.543 6.978 ( 1.280 0.000 -0.861) 1.543 6.978 ( -1.280 0.000 0.861) 1.543 6.978 ( 1.280 0.000 0.861) 1.543 7.069 ( -2.000 0.000 -0.340) 2.029 7.069 ( -2.000 0.000 0.340) 2.029 7.069 ( 2.000 0.000 -0.340) 2.029 7.069 ( 2.000 0.000 0.340) 2.029 7.243 ( -1.032 0.000 -1.934) 2.193 7.243 ( 1.032 0.000 -1.934) 2.193 7.243 ( -1.032 0.000 1.935) 2.193 7.243 ( 1.032 0.000 1.934) 2.193 7.340 ( -1.595 0.000 -2.024) 2.577 7.340 ( 1.595 0.000 -2.024) 2.577 7.340 ( -1.595 0.000 2.024) 2.577 7.340 ( 1.595 0.000 2.024) 2.577 7.418 ( -6.214 0.000 -1.751) 6.456 7.418 ( -6.214 0.000 1.751) 6.456 7.418 ( 6.214 0.000 -1.751) 6.456 7.418 ( 6.214 0.000 1.751) 6.456 7.557 ( -3.607 0.000 -2.137) 4.192 7.557 ( 3.607 -0.000 -2.137) 4.192 7.557 ( -3.607 0.000 2.137) 4.192 7.557 ( 3.607 0.000 2.137) 4.192 7.781 ( -2.420 0.000 -1.882) 3.066 7.781 ( 2.420 0.000 -1.882) 3.066 7.781 ( -2.420 0.000 1.882) 3.066 7.781 ( 2.420 0.000 1.882) 3.066 8.032 ( -1.599 0.000 -2.318) 2.816 8.032 ( 1.599 0.000 -2.318) 2.816 8.032 ( -1.599 0.000 2.318) 2.816 8.032 ( 1.599 0.000 2.318) 2.816 8.330 ( -0.333 -0.000 -2.681) 2.702 8.330 ( 0.333 -0.000 -2.681) 2.702 8.330 ( -0.333 0.000 2.681) 2.702 8.330 ( 0.333 0.000 2.681) 2.702 8.501 ( -0.694 0.000 -5.706) 5.748 8.501 ( 0.694 0.000 -5.706) 5.748 8.501 ( -0.694 0.000 5.706) 5.748 8.501 ( 0.694 0.000 5.706) 5.748 13.478 ( -0.455 0.000 -1.420) 1.491 13.478 ( 0.455 0.000 -1.420) 1.491 13.478 ( -0.455 0.000 1.420) 1.491 13.478 ( 0.455 0.000 1.420) 1.491 13.545 ( -0.986 0.000 -2.120) 2.338 13.545 ( 0.986 0.000 -2.120) 2.338 13.545 ( -0.986 0.000 2.120) 2.338 13.545 ( 0.986 -0.000 2.120) 2.338 13.857 ( -2.620 0.000 -0.614) 2.691 13.857 ( -2.620 0.000 0.614) 2.691 13.857 ( 2.620 0.000 -0.614) 2.691 13.857 ( 2.620 0.000 0.614) 2.691 13.943 ( -2.703 -0.000 -1.576) 3.129 13.943 ( 2.703 0.000 -1.576) 3.129 13.943 ( -2.703 0.000 1.576) 3.129 13.943 ( 2.703 0.000 1.576) 3.129 15.506 ( -1.023 0.000 -2.165) 2.395 15.506 ( 1.023 0.000 -2.165) 2.395 15.506 ( -1.023 0.000 2.165) 2.395 15.506 ( 1.023 0.000 2.165) 2.395 15.636 ( -2.097 0.000 -2.568) 3.316 15.636 ( 2.097 0.000 -2.568) 3.316 15.636 ( -2.097 0.000 2.568) 3.316 15.636 ( 2.097 0.000 2.568) 3.316 15.927 ( -0.296 -0.000 -0.192) 0.353 15.927 ( 0.296 -0.000 -0.192) 0.353 15.927 ( -0.296 -0.000 0.192) 0.353 15.927 ( 0.296 0.000 0.192) 0.353 15.975 ( -0.149 0.000 -0.552) 0.572 15.975 ( 0.149 0.000 -0.552) 0.572 15.975 ( -0.149 -0.000 0.552) 0.572 15.975 ( 0.149 0.000 0.552) 0.572 16.489 ( -1.099 0.000 -0.970) 1.466 16.489 ( 1.099 0.000 -0.970) 1.466 16.489 ( -1.099 0.000 0.970) 1.466 16.489 ( 1.099 0.000 0.970) 1.466 16.559 ( -0.391 0.000 -0.955) 1.033 16.559 ( 0.391 -0.000 -0.955) 1.033 16.559 ( -0.391 -0.000 0.955) 1.033 16.559 ( 0.391 0.000 0.955) 1.033 16.921 ( -0.624 -0.000 -1.521) 1.644 16.921 ( 0.624 -0.000 -1.521) 1.644 16.921 ( -0.624 -0.000 1.521) 1.644 16.921 ( 0.624 0.000 1.521) 1.644 16.993 ( -1.634 0.000 -0.638) 1.754 16.993 ( 1.634 0.000 -0.638) 1.754 16.993 ( -1.634 0.000 0.638) 1.754 16.993 ( 1.634 0.000 0.638) 1.754 =================== 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 3/20736 10.0 14.255 10.998 8.331 0.000 0.000 -0.000 3/20736 20.0 3.170 2.219 1.809 0.000 0.000 -0.000 3/20736 30.0 1.618 1.100 0.943 0.000 0.000 -0.000 3/20736 40.0 1.088 0.726 0.647 0.000 0.000 -0.000 3/20736 50.0 0.826 0.544 0.499 0.000 0.000 -0.000 3/20736 60.0 0.670 0.437 0.411 0.000 0.000 -0.000 3/20736 70.0 0.567 0.367 0.352 0.000 0.000 -0.000 3/20736 80.0 0.493 0.318 0.310 0.000 0.000 -0.000 3/20736 90.0 0.439 0.282 0.278 0.000 0.000 -0.000 3/20736 100.0 0.396 0.254 0.252 0.000 0.000 -0.000 3/20736 110.0 0.363 0.232 0.232 0.000 0.000 -0.000 3/20736 120.0 0.335 0.214 0.215 0.000 0.000 -0.000 3/20736 130.0 0.313 0.199 0.201 0.000 0.000 -0.000 3/20736 140.0 0.293 0.186 0.189 0.000 0.000 -0.000 3/20736 150.0 0.277 0.175 0.178 0.000 0.000 -0.000 3/20736 160.0 0.263 0.165 0.169 0.000 0.000 -0.000 3/20736 170.0 0.250 0.157 0.160 0.000 0.000 -0.000 3/20736 180.0 0.239 0.150 0.153 0.000 0.000 -0.000 3/20736 190.0 0.229 0.143 0.146 0.000 0.000 -0.000 3/20736 200.0 0.220 0.137 0.140 0.000 0.000 -0.000 3/20736 210.0 0.211 0.131 0.135 0.000 0.000 -0.000 3/20736 220.0 0.204 0.126 0.130 0.000 0.000 -0.000 3/20736 230.0 0.197 0.122 0.125 0.000 0.000 -0.000 3/20736 240.0 0.190 0.117 0.121 0.000 0.000 -0.000 3/20736 250.0 0.184 0.113 0.117 0.000 0.000 -0.000 3/20736 260.0 0.178 0.110 0.113 0.000 0.000 -0.000 3/20736 270.0 0.173 0.106 0.109 0.000 0.000 -0.000 3/20736 280.0 0.168 0.103 0.106 0.000 0.000 -0.000 3/20736 290.0 0.163 0.100 0.103 0.000 0.000 -0.000 3/20736 300.0 0.159 0.097 0.100 0.000 0.000 -0.000 3/20736 310.0 0.155 0.094 0.097 0.000 0.000 -0.000 3/20736 320.0 0.151 0.092 0.094 0.000 0.000 -0.000 3/20736 330.0 0.147 0.089 0.092 0.000 0.000 -0.000 3/20736 340.0 0.143 0.087 0.090 0.000 0.000 -0.000 3/20736 350.0 0.140 0.085 0.087 0.000 0.000 -0.000 3/20736 360.0 0.136 0.082 0.085 0.000 0.000 -0.000 3/20736 370.0 0.133 0.080 0.083 0.000 0.000 -0.000 3/20736 380.0 0.130 0.079 0.081 0.000 0.000 -0.000 3/20736 390.0 0.127 0.077 0.079 0.000 0.000 -0.000 3/20736 400.0 0.124 0.075 0.077 0.000 0.000 -0.000 3/20736 410.0 0.122 0.073 0.076 0.000 0.000 -0.000 3/20736 420.0 0.119 0.072 0.074 0.000 0.000 -0.000 3/20736 430.0 0.117 0.070 0.073 0.000 0.000 -0.000 3/20736 440.0 0.114 0.069 0.071 0.000 0.000 -0.000 3/20736 450.0 0.112 0.067 0.070 0.000 0.000 -0.000 3/20736 460.0 0.110 0.066 0.068 0.000 0.000 -0.000 3/20736 470.0 0.108 0.065 0.067 0.000 0.000 -0.000 3/20736 480.0 0.106 0.063 0.066 0.000 0.000 -0.000 3/20736 490.0 0.104 0.062 0.064 0.000 0.000 -0.000 3/20736 500.0 0.102 0.061 0.063 0.000 0.000 -0.000 3/20736 510.0 0.100 0.060 0.062 0.000 0.000 -0.000 3/20736 520.0 0.098 0.059 0.061 0.000 0.000 -0.000 3/20736 530.0 0.097 0.058 0.060 0.000 0.000 -0.000 3/20736 540.0 0.095 0.057 0.059 0.000 0.000 -0.000 3/20736 550.0 0.093 0.056 0.058 0.000 0.000 -0.000 3/20736 560.0 0.092 0.055 0.057 0.000 0.000 -0.000 3/20736 570.0 0.090 0.054 0.056 0.000 0.000 -0.000 3/20736 580.0 0.089 0.053 0.055 0.000 0.000 -0.000 3/20736 590.0 0.088 0.052 0.054 0.000 0.000 -0.000 3/20736 600.0 0.086 0.051 0.053 0.000 0.000 -0.000 3/20736 610.0 0.085 0.051 0.052 0.000 0.000 -0.000 3/20736 620.0 0.084 0.050 0.052 0.000 0.000 -0.000 3/20736 630.0 0.082 0.049 0.051 0.000 0.000 -0.000 3/20736 640.0 0.081 0.048 0.050 0.000 0.000 -0.000 3/20736 650.0 0.080 0.048 0.049 0.000 0.000 -0.000 3/20736 660.0 0.079 0.047 0.049 0.000 0.000 -0.000 3/20736 670.0 0.078 0.046 0.048 0.000 0.000 -0.000 3/20736 680.0 0.077 0.046 0.047 0.000 0.000 -0.000 3/20736 690.0 0.076 0.045 0.047 0.000 0.000 -0.000 3/20736 700.0 0.075 0.044 0.046 0.000 0.000 -0.000 3/20736 710.0 0.074 0.044 0.045 0.000 0.000 -0.000 3/20736 720.0 0.073 0.043 0.045 0.000 0.000 -0.000 3/20736 730.0 0.072 0.043 0.044 0.000 0.000 -0.000 3/20736 740.0 0.071 0.042 0.044 0.000 0.000 -0.000 3/20736 750.0 0.070 0.042 0.043 0.000 0.000 -0.000 3/20736 760.0 0.069 0.041 0.042 0.000 0.000 -0.000 3/20736 770.0 0.068 0.040 0.042 0.000 0.000 -0.000 3/20736 780.0 0.067 0.040 0.041 0.000 0.000 -0.000 3/20736 790.0 0.066 0.039 0.041 0.000 0.000 -0.000 3/20736 800.0 0.066 0.039 0.040 0.000 0.000 -0.000 3/20736 810.0 0.065 0.039 0.040 0.000 0.000 -0.000 3/20736 820.0 0.064 0.038 0.039 0.000 0.000 -0.000 3/20736 830.0 0.063 0.038 0.039 0.000 0.000 -0.000 3/20736 840.0 0.063 0.037 0.039 0.000 0.000 -0.000 3/20736 850.0 0.062 0.037 0.038 0.000 0.000 -0.000 3/20736 860.0 0.061 0.036 0.038 0.000 0.000 -0.000 3/20736 870.0 0.061 0.036 0.037 0.000 0.000 -0.000 3/20736 880.0 0.060 0.036 0.037 0.000 0.000 -0.000 3/20736 890.0 0.059 0.035 0.036 0.000 0.000 -0.000 3/20736 900.0 0.059 0.035 0.036 0.000 0.000 -0.000 3/20736 910.0 0.058 0.034 0.036 0.000 0.000 -0.000 3/20736 920.0 0.057 0.034 0.035 0.000 0.000 -0.000 3/20736 930.0 0.057 0.034 0.035 0.000 0.000 -0.000 3/20736 940.0 0.056 0.033 0.035 0.000 0.000 -0.000 3/20736 950.0 0.056 0.033 0.034 0.000 0.000 -0.000 3/20736 960.0 0.055 0.033 0.034 0.000 0.000 -0.000 3/20736 970.0 0.054 0.032 0.033 0.000 0.000 -0.000 3/20736 980.0 0.054 0.032 0.033 0.000 0.000 -0.000 3/20736 990.0 0.053 0.032 0.033 0.000 0.000 -0.000 3/20736 1000.0 0.053 0.031 0.032 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m644.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:58:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|