----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 6.760747710000000 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): *1 Ca 0.78682673812984 0.72898842466247 0.54448833843459 40.078 2 Ca 0.21317326187016 0.22898842466247 0.95551166156541 40.078 3 Ca 0.21317326187016 0.27101157533753 0.45551166156541 40.078 4 Ca 0.78682673812984 0.77101157533753 0.04448833843459 40.078 *5 Ca 0.34560368440407 0.77275301656933 0.65302962805916 40.078 6 Ca 0.65439631559593 0.27275301656933 0.84697037194084 40.078 7 Ca 0.65439631559593 0.22724698343067 0.34697037194084 40.078 8 Ca 0.34560368440407 0.72724698343067 0.15302962805916 40.078 *9 Al 0.22002983555251 0.72241834675414 0.84556518855514 26.982 10 Al 0.77997016444749 0.22241834675414 0.65443481144486 26.982 11 Al 0.77997016444749 0.27758165324586 0.15443481144485 26.982 12 Al 0.22002983555251 0.77758165324586 0.34556518855515 26.982 *13 Al 0.80821113568648 0.81015128378599 0.81034464650435 26.982 14 Al 0.19178886431352 0.31015128378599 0.68965535349565 26.982 15 Al 0.19178886431352 0.18984871621401 0.18965535349565 26.982 16 Al 0.80821113568648 0.68984871621401 0.31034464650435 26.982 *17 H 0.00307154411749 0.80227123098697 0.98720195300238 1.008 18 H 0.99692845588251 0.30227123098697 0.51279804699762 1.008 19 H 0.99692845588251 0.19772876901303 0.01279804699762 1.008 20 H 0.00307154411749 0.69772876901303 0.48720195300238 1.008 *21 H 0.60652016177027 0.79835487247832 0.63338899051120 1.008 22 H 0.39347983822973 0.29835487247831 0.86661100948880 1.008 23 H 0.39347983822973 0.20164512752169 0.36661100948880 1.008 24 H 0.60652016177027 0.70164512752168 0.13338899051120 1.008 *25 H 0.68653258385998 0.88512395388220 0.33323593861612 1.008 26 H 0.31346741614002 0.38512395388220 0.16676406138388 1.008 27 H 0.31346741614002 0.11487604611780 0.66676406138388 1.008 28 H 0.68653258385998 0.61487604611780 0.83323593861612 1.008 *29 H 0.11431571537257 0.86754120504604 0.69825210108672 1.008 30 H 0.88568428462742 0.36754120504604 0.80174789891328 1.008 31 H 0.88568428462742 0.13245879495396 0.30174789891328 1.008 32 H 0.11431571537257 0.63245879495396 0.19825210108672 1.008 *33 H 0.10370954696855 0.53690293453345 0.70520144082664 1.008 34 H 0.89629045303145 0.03690293453346 0.79479855917336 1.008 35 H 0.89629045303145 0.46309706546654 0.29479855917336 1.008 36 H 0.10370954696855 0.96309706546655 0.20520144082664 1.008 *37 H 0.28327046336781 0.90470051620702 0.96295467815873 1.008 38 H 0.71672953663219 0.40470051620703 0.53704532184127 1.008 39 H 0.71672953663219 0.09529948379297 0.03704532184127 1.008 40 H 0.28327046336781 0.59529948379298 0.46295467815873 1.008 *41 H 0.26748775085728 0.55301537576468 0.96509739003988 1.008 42 H 0.73251224914271 0.05301537576468 0.53490260996012 1.008 43 H 0.73251224914271 0.44698462423532 0.03490260996012 1.008 44 H 0.26748775085728 0.94698462423532 0.46509739003988 1.008 *45 H 0.64998676996452 0.93938474909274 0.83739999625676 1.008 46 H 0.35001323003548 0.43938474909274 0.66260000374324 1.008 47 H 0.35001323003548 0.06061525090726 0.16260000374324 1.008 48 H 0.64998676996452 0.56061525090726 0.33739999625676 1.008 *49 H 0.44706752132678 0.70759394177100 0.87058380501229 1.008 50 H 0.55293247867322 0.20759394177100 0.62941619498771 1.008 51 H 0.55293247867322 0.29240605822900 0.12941619498771 1.008 52 H 0.44706752132678 0.79240605822900 0.37058380501229 1.008 *53 H 0.95335207320700 0.69082022898407 0.77462146081481 1.008 54 H 0.04664792679300 0.19082022898407 0.72537853918519 1.008 55 H 0.04664792679300 0.30917977101593 0.22537853918519 1.008 56 H 0.95335207320700 0.80917977101593 0.27462146081481 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 6.760747710000000 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): *1 Ca 0.78682673812984 0.72898842466247 0.54448833843459 40.078 > 1 2 Ca 0.21317326187016 0.22898842466247 0.95551166156541 40.078 > 2 3 Ca 0.21317326187016 0.27101157533753 0.45551166156541 40.078 > 3 4 Ca 0.78682673812984 0.77101157533753 0.04448833843459 40.078 > 4 *5 Ca 0.34560368440407 0.77275301656933 0.65302962805916 40.078 > 5 6 Ca 0.65439631559593 0.27275301656933 0.84697037194084 40.078 > 6 7 Ca 0.65439631559593 0.22724698343067 0.34697037194084 40.078 > 7 8 Ca 0.34560368440407 0.72724698343067 0.15302962805916 40.078 > 8 *9 Al 0.22002983555251 0.72241834675414 0.84556518855514 26.982 > 9 10 Al 0.77997016444749 0.22241834675414 0.65443481144486 26.982 > 10 11 Al 0.77997016444749 0.27758165324586 0.15443481144485 26.982 > 11 12 Al 0.22002983555251 0.77758165324586 0.34556518855515 26.982 > 12 *13 Al 0.80821113568648 0.81015128378599 0.81034464650435 26.982 > 13 14 Al 0.19178886431352 0.31015128378599 0.68965535349565 26.982 > 14 15 Al 0.19178886431352 0.18984871621401 0.18965535349565 26.982 > 15 16 Al 0.80821113568648 0.68984871621401 0.31034464650435 26.982 > 16 *17 H 0.00307154411749 0.80227123098697 0.98720195300238 1.008 > 17 18 H 0.99692845588251 0.30227123098697 0.51279804699762 1.008 > 18 19 H 0.99692845588251 0.19772876901303 0.01279804699762 1.008 > 19 20 H 0.00307154411749 0.69772876901303 0.48720195300238 1.008 > 20 *21 H 0.60652016177027 0.79835487247832 0.63338899051120 1.008 > 21 22 H 0.39347983822973 0.29835487247831 0.86661100948880 1.008 > 22 23 H 0.39347983822973 0.20164512752169 0.36661100948880 1.008 > 23 24 H 0.60652016177027 0.70164512752168 0.13338899051120 1.008 > 24 *25 H 0.68653258385998 0.88512395388220 0.33323593861612 1.008 > 25 26 H 0.31346741614002 0.38512395388220 0.16676406138388 1.008 > 26 27 H 0.31346741614002 0.11487604611780 0.66676406138388 1.008 > 27 28 H 0.68653258385998 0.61487604611780 0.83323593861612 1.008 > 28 *29 H 0.11431571537257 0.86754120504604 0.69825210108672 1.008 > 29 30 H 0.88568428462742 0.36754120504604 0.80174789891328 1.008 > 30 31 H 0.88568428462742 0.13245879495396 0.30174789891328 1.008 > 31 32 H 0.11431571537257 0.63245879495396 0.19825210108672 1.008 > 32 *33 H 0.10370954696855 0.53690293453345 0.70520144082664 1.008 > 33 34 H 0.89629045303145 0.03690293453346 0.79479855917336 1.008 > 34 35 H 0.89629045303145 0.46309706546654 0.29479855917336 1.008 > 35 36 H 0.10370954696855 0.96309706546655 0.20520144082664 1.008 > 36 *37 H 0.28327046336781 0.90470051620702 0.96295467815873 1.008 > 37 38 H 0.71672953663219 0.40470051620703 0.53704532184127 1.008 > 38 39 H 0.71672953663219 0.09529948379297 0.03704532184127 1.008 > 39 40 H 0.28327046336781 0.59529948379298 0.46295467815873 1.008 > 40 *41 H 0.26748775085728 0.55301537576468 0.96509739003988 1.008 > 41 42 H 0.73251224914271 0.05301537576468 0.53490260996012 1.008 > 42 43 H 0.73251224914271 0.44698462423532 0.03490260996012 1.008 > 43 44 H 0.26748775085728 0.94698462423532 0.46509739003988 1.008 > 44 *45 H 0.64998676996452 0.93938474909274 0.83739999625676 1.008 > 45 46 H 0.35001323003548 0.43938474909274 0.66260000374324 1.008 > 46 47 H 0.35001323003548 0.06061525090726 0.16260000374324 1.008 > 47 48 H 0.64998676996452 0.56061525090726 0.33739999625676 1.008 > 48 *49 H 0.44706752132678 0.70759394177100 0.87058380501229 1.008 > 49 50 H 0.55293247867322 0.20759394177100 0.62941619498771 1.008 > 50 51 H 0.55293247867322 0.29240605822900 0.12941619498771 1.008 > 51 52 H 0.44706752132678 0.79240605822900 0.37058380501229 1.008 > 52 *53 H 0.95335207320700 0.69082022898407 0.77462146081481 1.008 > 53 54 H 0.04664792679300 0.19082022898407 0.72537853918519 1.008 > 54 55 H 0.04664792679300 0.30917977101593 0.22537853918519 1.008 > 55 56 H 0.95335207320700 0.80917977101593 0.27462146081481 1.008 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 13.521495420000001 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): *1 Ca 0.78682673812984 0.36449421233124 0.54448833843459 40.078 > 1 2 Ca 0.78682673812984 0.86449421233124 0.54448833843459 40.078 > 1 3 Ca 0.21317326187016 0.11449421233124 0.95551166156541 40.078 > 2 4 Ca 0.21317326187016 0.61449421233124 0.95551166156541 40.078 > 2 5 Ca 0.21317326187016 0.13550578766876 0.45551166156541 40.078 > 3 6 Ca 0.21317326187016 0.63550578766876 0.45551166156541 40.078 > 3 7 Ca 0.78682673812984 0.38550578766876 0.04448833843459 40.078 > 4 8 Ca 0.78682673812984 0.88550578766876 0.04448833843459 40.078 > 4 *9 Ca 0.34560368440407 0.38637650828466 0.65302962805916 40.078 > 5 10 Ca 0.34560368440407 0.88637650828466 0.65302962805916 40.078 > 5 11 Ca 0.65439631559593 0.13637650828466 0.84697037194084 40.078 > 6 12 Ca 0.65439631559593 0.63637650828466 0.84697037194084 40.078 > 6 13 Ca 0.65439631559593 0.11362349171534 0.34697037194084 40.078 > 7 14 Ca 0.65439631559593 0.61362349171534 0.34697037194084 40.078 > 7 15 Ca 0.34560368440407 0.36362349171534 0.15302962805916 40.078 > 8 16 Ca 0.34560368440407 0.86362349171534 0.15302962805916 40.078 > 8 *17 Al 0.22002983555251 0.36120917337707 0.84556518855514 26.982 > 9 18 Al 0.22002983555251 0.86120917337707 0.84556518855514 26.982 > 9 19 Al 0.77997016444749 0.11120917337707 0.65443481144486 26.982 > 10 20 Al 0.77997016444749 0.61120917337707 0.65443481144486 26.982 > 10 21 Al 0.77997016444749 0.13879082662293 0.15443481144485 26.982 > 11 22 Al 0.77997016444749 0.63879082662293 0.15443481144485 26.982 > 11 23 Al 0.22002983555251 0.38879082662293 0.34556518855515 26.982 > 12 24 Al 0.22002983555251 0.88879082662293 0.34556518855515 26.982 > 12 *25 Al 0.80821113568648 0.40507564189300 0.81034464650435 26.982 > 13 26 Al 0.80821113568648 0.90507564189300 0.81034464650435 26.982 > 13 27 Al 0.19178886431352 0.15507564189300 0.68965535349565 26.982 > 14 28 Al 0.19178886431352 0.65507564189300 0.68965535349565 26.982 > 14 29 Al 0.19178886431352 0.09492435810700 0.18965535349565 26.982 > 15 30 Al 0.19178886431352 0.59492435810700 0.18965535349565 26.982 > 15 31 Al 0.80821113568648 0.34492435810700 0.31034464650435 26.982 > 16 32 Al 0.80821113568648 0.84492435810700 0.31034464650435 26.982 > 16 *33 H 0.00307154411749 0.40113561549349 0.98720195300238 1.008 > 17 34 H 0.00307154411749 0.90113561549349 0.98720195300238 1.008 > 17 35 H 0.99692845588251 0.15113561549349 0.51279804699762 1.008 > 18 36 H 0.99692845588251 0.65113561549349 0.51279804699762 1.008 > 18 37 H 0.99692845588251 0.09886438450651 0.01279804699762 1.008 > 19 38 H 0.99692845588251 0.59886438450651 0.01279804699762 1.008 > 19 39 H 0.00307154411749 0.34886438450651 0.48720195300238 1.008 > 20 40 H 0.00307154411749 0.84886438450651 0.48720195300238 1.008 > 20 *41 H 0.60652016177027 0.39917743623916 0.63338899051120 1.008 > 21 42 H 0.60652016177027 0.89917743623916 0.63338899051120 1.008 > 21 43 H 0.39347983822973 0.14917743623916 0.86661100948880 1.008 > 22 44 H 0.39347983822973 0.64917743623916 0.86661100948880 1.008 > 22 45 H 0.39347983822973 0.10082256376084 0.36661100948880 1.008 > 23 46 H 0.39347983822973 0.60082256376084 0.36661100948880 1.008 > 23 47 H 0.60652016177027 0.35082256376084 0.13338899051120 1.008 > 24 48 H 0.60652016177027 0.85082256376084 0.13338899051120 1.008 > 24 *49 H 0.68653258385998 0.44256197694110 0.33323593861612 1.008 > 25 50 H 0.68653258385998 0.94256197694110 0.33323593861612 1.008 > 25 51 H 0.31346741614002 0.19256197694110 0.16676406138388 1.008 > 26 52 H 0.31346741614002 0.69256197694110 0.16676406138388 1.008 > 26 53 H 0.31346741614002 0.05743802305890 0.66676406138388 1.008 > 27 54 H 0.31346741614002 0.55743802305890 0.66676406138388 1.008 > 27 55 H 0.68653258385998 0.30743802305890 0.83323593861612 1.008 > 28 56 H 0.68653258385998 0.80743802305890 0.83323593861612 1.008 > 28 *57 H 0.11431571537257 0.43377060252302 0.69825210108672 1.008 > 29 58 H 0.11431571537257 0.93377060252302 0.69825210108672 1.008 > 29 59 H 0.88568428462742 0.18377060252302 0.80174789891328 1.008 > 30 60 H 0.88568428462742 0.68377060252302 0.80174789891328 1.008 > 30 61 H 0.88568428462742 0.06622939747698 0.30174789891328 1.008 > 31 62 H 0.88568428462742 0.56622939747698 0.30174789891328 1.008 > 31 63 H 0.11431571537257 0.31622939747698 0.19825210108672 1.008 > 32 64 H 0.11431571537257 0.81622939747698 0.19825210108672 1.008 > 32 *65 H 0.10370954696855 0.26845146726673 0.70520144082664 1.008 > 33 66 H 0.10370954696855 0.76845146726673 0.70520144082664 1.008 > 33 67 H 0.89629045303145 0.01845146726673 0.79479855917336 1.008 > 34 68 H 0.89629045303145 0.51845146726673 0.79479855917336 1.008 > 34 69 H 0.89629045303145 0.23154853273327 0.29479855917336 1.008 > 35 70 H 0.89629045303145 0.73154853273327 0.29479855917336 1.008 > 35 71 H 0.10370954696855 0.48154853273327 0.20520144082664 1.008 > 36 72 H 0.10370954696855 0.98154853273327 0.20520144082664 1.008 > 36 *73 H 0.28327046336781 0.45235025810351 0.96295467815873 1.008 > 37 74 H 0.28327046336781 0.95235025810351 0.96295467815873 1.008 > 37 75 H 0.71672953663219 0.20235025810351 0.53704532184127 1.008 > 38 76 H 0.71672953663219 0.70235025810351 0.53704532184127 1.008 > 38 77 H 0.71672953663219 0.04764974189649 0.03704532184127 1.008 > 39 78 H 0.71672953663219 0.54764974189649 0.03704532184127 1.008 > 39 79 H 0.28327046336781 0.29764974189649 0.46295467815873 1.008 > 40 80 H 0.28327046336781 0.79764974189649 0.46295467815873 1.008 > 40 *81 H 0.26748775085728 0.27650768788234 0.96509739003988 1.008 > 41 82 H 0.26748775085728 0.77650768788234 0.96509739003988 1.008 > 41 83 H 0.73251224914271 0.02650768788234 0.53490260996012 1.008 > 42 84 H 0.73251224914271 0.52650768788234 0.53490260996012 1.008 > 42 85 H 0.73251224914271 0.22349231211766 0.03490260996012 1.008 > 43 86 H 0.73251224914271 0.72349231211766 0.03490260996012 1.008 > 43 87 H 0.26748775085728 0.47349231211766 0.46509739003988 1.008 > 44 88 H 0.26748775085728 0.97349231211766 0.46509739003988 1.008 > 44 *89 H 0.64998676996452 0.46969237454637 0.83739999625676 1.008 > 45 90 H 0.64998676996452 0.96969237454637 0.83739999625676 1.008 > 45 91 H 0.35001323003548 0.21969237454637 0.66260000374324 1.008 > 46 92 H 0.35001323003548 0.71969237454637 0.66260000374324 1.008 > 46 93 H 0.35001323003548 0.03030762545363 0.16260000374324 1.008 > 47 94 H 0.35001323003548 0.53030762545363 0.16260000374324 1.008 > 47 95 H 0.64998676996452 0.28030762545363 0.33739999625676 1.008 > 48 96 H 0.64998676996452 0.78030762545363 0.33739999625676 1.008 > 48 *97 H 0.44706752132678 0.35379697088550 0.87058380501229 1.008 > 49 98 H 0.44706752132678 0.85379697088550 0.87058380501229 1.008 > 49 99 H 0.55293247867322 0.10379697088550 0.62941619498771 1.008 > 50 100 H 0.55293247867322 0.60379697088550 0.62941619498771 1.008 > 50 101 H 0.55293247867322 0.14620302911450 0.12941619498771 1.008 > 51 102 H 0.55293247867322 0.64620302911450 0.12941619498771 1.008 > 51 103 H 0.44706752132678 0.39620302911450 0.37058380501229 1.008 > 52 104 H 0.44706752132678 0.89620302911450 0.37058380501229 1.008 > 52 *105 H 0.95335207320700 0.34541011449204 0.77462146081481 1.008 > 53 106 H 0.95335207320700 0.84541011449203 0.77462146081481 1.008 > 53 107 H 0.04664792679300 0.09541011449204 0.72537853918519 1.008 > 54 108 H 0.04664792679300 0.59541011449203 0.72537853918519 1.008 > 54 109 H 0.04664792679300 0.15458988550797 0.22537853918519 1.008 > 55 110 H 0.04664792679300 0.65458988550797 0.22537853918519 1.008 > 55 111 H 0.95335207320700 0.40458988550796 0.27462146081481 1.008 > 56 112 H 0.95335207320700 0.90458988550797 0.27462146081481 1.008 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0312583 0.0000000 -0.0641678 0.0000000 4.8211526 0.0000000 -0.0641720 0.0000000 5.0085189 -------------------------- Born effective charges -------------------------- 1 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 2 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 3 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 4 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 5 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 6 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 7 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 8 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 9 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 10 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 11 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 12 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 13 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 14 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 15 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 16 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 17 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 18 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 19 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 20 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 21 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 22 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 23 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 24 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 25 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 26 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 27 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 28 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 29 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 30 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 31 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 32 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 33 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 34 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 35 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 36 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 37 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 38 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 39 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 40 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 41 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 42 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 43 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 44 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 45 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 46 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 47 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 48 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 49 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 50 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 51 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 52 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 53 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 54 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 55 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 56 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.873 Solver_block: 200 / 1680 - Time: 1.609 Solver_block: 300 / 1680 - Time: 1.605 Solver_block: 400 / 1680 - Time: 1.609 Solver_block: 500 / 1680 - Time: 1.605 Solver_block: 600 / 1680 - Time: 1.610 Solver_block: 700 / 1680 - Time: 1.606 Solver_block: 800 / 1680 - Time: 1.605 Solver_block: 900 / 1680 - Time: 1.613 Solver_block: 1000 / 1680 - Time: 1.606 Solver_block: 1100 / 1680 - Time: 1.605 Solver_block: 1200 / 1680 - Time: 1.614 Solver_block: 1300 / 1680 - Time: 1.607 Solver_block: 1400 / 1680 - Time: 1.613 Solver_block: 1500 / 1680 - Time: 1.610 Solver_block: 1600 / 1680 - Time: 1.613 Solver_block: 1680 / 1680 - Time: 1.326 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.140 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:31:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:31:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 6.760747710000000 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): 1 Ca 0.78682673812984 0.72898842466247 0.54448833843459 40.078 2 Ca 0.21317326187016 0.22898842466247 0.95551166156541 40.078 3 Ca 0.21317326187016 0.27101157533753 0.45551166156541 40.078 4 Ca 0.78682673812984 0.77101157533753 0.04448833843459 40.078 5 Ca 0.34560368440407 0.77275301656933 0.65302962805916 40.078 6 Ca 0.65439631559593 0.27275301656933 0.84697037194084 40.078 7 Ca 0.65439631559593 0.22724698343067 0.34697037194084 40.078 8 Ca 0.34560368440407 0.72724698343067 0.15302962805916 40.078 9 Al 0.22002983555251 0.72241834675414 0.84556518855514 26.982 10 Al 0.77997016444749 0.22241834675414 0.65443481144486 26.982 11 Al 0.77997016444749 0.27758165324586 0.15443481144485 26.982 12 Al 0.22002983555251 0.77758165324586 0.34556518855515 26.982 13 Al 0.80821113568648 0.81015128378599 0.81034464650435 26.982 14 Al 0.19178886431352 0.31015128378599 0.68965535349565 26.982 15 Al 0.19178886431352 0.18984871621401 0.18965535349565 26.982 16 Al 0.80821113568648 0.68984871621401 0.31034464650435 26.982 17 H 0.00307154411749 0.80227123098697 0.98720195300238 1.008 18 H 0.99692845588251 0.30227123098697 0.51279804699762 1.008 19 H 0.99692845588251 0.19772876901303 0.01279804699762 1.008 20 H 0.00307154411749 0.69772876901303 0.48720195300238 1.008 21 H 0.60652016177027 0.79835487247832 0.63338899051120 1.008 22 H 0.39347983822973 0.29835487247831 0.86661100948880 1.008 23 H 0.39347983822973 0.20164512752169 0.36661100948880 1.008 24 H 0.60652016177027 0.70164512752168 0.13338899051120 1.008 25 H 0.68653258385998 0.88512395388220 0.33323593861612 1.008 26 H 0.31346741614002 0.38512395388220 0.16676406138388 1.008 27 H 0.31346741614002 0.11487604611780 0.66676406138388 1.008 28 H 0.68653258385998 0.61487604611780 0.83323593861612 1.008 29 H 0.11431571537257 0.86754120504604 0.69825210108672 1.008 30 H 0.88568428462742 0.36754120504604 0.80174789891328 1.008 31 H 0.88568428462742 0.13245879495396 0.30174789891328 1.008 32 H 0.11431571537257 0.63245879495396 0.19825210108672 1.008 33 H 0.10370954696855 0.53690293453345 0.70520144082664 1.008 34 H 0.89629045303145 0.03690293453346 0.79479855917336 1.008 35 H 0.89629045303145 0.46309706546654 0.29479855917336 1.008 36 H 0.10370954696855 0.96309706546655 0.20520144082664 1.008 37 H 0.28327046336781 0.90470051620702 0.96295467815873 1.008 38 H 0.71672953663219 0.40470051620703 0.53704532184127 1.008 39 H 0.71672953663219 0.09529948379297 0.03704532184127 1.008 40 H 0.28327046336781 0.59529948379298 0.46295467815873 1.008 41 H 0.26748775085728 0.55301537576468 0.96509739003988 1.008 42 H 0.73251224914271 0.05301537576468 0.53490260996012 1.008 43 H 0.73251224914271 0.44698462423532 0.03490260996012 1.008 44 H 0.26748775085728 0.94698462423532 0.46509739003988 1.008 45 H 0.64998676996452 0.93938474909274 0.83739999625676 1.008 46 H 0.35001323003548 0.43938474909274 0.66260000374324 1.008 47 H 0.35001323003548 0.06061525090726 0.16260000374324 1.008 48 H 0.64998676996452 0.56061525090726 0.33739999625676 1.008 49 H 0.44706752132678 0.70759394177100 0.87058380501229 1.008 50 H 0.55293247867322 0.20759394177100 0.62941619498771 1.008 51 H 0.55293247867322 0.29240605822900 0.12941619498771 1.008 52 H 0.44706752132678 0.79240605822900 0.37058380501229 1.008 53 H 0.95335207320700 0.69082022898407 0.77462146081481 1.008 54 H 0.04664792679300 0.19082022898407 0.72537853918519 1.008 55 H 0.04664792679300 0.30917977101593 0.22537853918519 1.008 56 H 0.95335207320700 0.80917977101593 0.27462146081481 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 13.521495420000001 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): 1 Ca 0.78682673812984 0.36449421233124 0.54448833843459 40.078 > 1 2 Ca 0.78682673812984 0.86449421233124 0.54448833843459 40.078 > 1 3 Ca 0.21317326187016 0.11449421233124 0.95551166156541 40.078 > 3 4 Ca 0.21317326187016 0.61449421233124 0.95551166156541 40.078 > 3 5 Ca 0.21317326187016 0.13550578766876 0.45551166156541 40.078 > 5 6 Ca 0.21317326187016 0.63550578766876 0.45551166156541 40.078 > 5 7 Ca 0.78682673812984 0.38550578766876 0.04448833843459 40.078 > 7 8 Ca 0.78682673812984 0.88550578766876 0.04448833843459 40.078 > 7 9 Ca 0.34560368440407 0.38637650828466 0.65302962805916 40.078 > 9 10 Ca 0.34560368440407 0.88637650828466 0.65302962805916 40.078 > 9 11 Ca 0.65439631559593 0.13637650828466 0.84697037194084 40.078 > 11 12 Ca 0.65439631559593 0.63637650828466 0.84697037194084 40.078 > 11 13 Ca 0.65439631559593 0.11362349171534 0.34697037194084 40.078 > 13 14 Ca 0.65439631559593 0.61362349171534 0.34697037194084 40.078 > 13 15 Ca 0.34560368440407 0.36362349171534 0.15302962805916 40.078 > 15 16 Ca 0.34560368440407 0.86362349171534 0.15302962805916 40.078 > 15 17 Al 0.22002983555251 0.36120917337707 0.84556518855514 26.982 > 17 18 Al 0.22002983555251 0.86120917337707 0.84556518855514 26.982 > 17 19 Al 0.77997016444749 0.11120917337707 0.65443481144486 26.982 > 19 20 Al 0.77997016444749 0.61120917337707 0.65443481144486 26.982 > 19 21 Al 0.77997016444749 0.13879082662293 0.15443481144485 26.982 > 21 22 Al 0.77997016444749 0.63879082662293 0.15443481144485 26.982 > 21 23 Al 0.22002983555251 0.38879082662293 0.34556518855515 26.982 > 23 24 Al 0.22002983555251 0.88879082662293 0.34556518855515 26.982 > 23 25 Al 0.80821113568648 0.40507564189300 0.81034464650435 26.982 > 25 26 Al 0.80821113568648 0.90507564189300 0.81034464650435 26.982 > 25 27 Al 0.19178886431352 0.15507564189300 0.68965535349565 26.982 > 27 28 Al 0.19178886431352 0.65507564189300 0.68965535349565 26.982 > 27 29 Al 0.19178886431352 0.09492435810700 0.18965535349565 26.982 > 29 30 Al 0.19178886431352 0.59492435810700 0.18965535349565 26.982 > 29 31 Al 0.80821113568648 0.34492435810700 0.31034464650435 26.982 > 31 32 Al 0.80821113568648 0.84492435810700 0.31034464650435 26.982 > 31 33 H 0.00307154411749 0.40113561549349 0.98720195300238 1.008 > 33 34 H 0.00307154411749 0.90113561549349 0.98720195300238 1.008 > 33 35 H 0.99692845588251 0.15113561549349 0.51279804699762 1.008 > 35 36 H 0.99692845588251 0.65113561549349 0.51279804699762 1.008 > 35 37 H 0.99692845588251 0.09886438450651 0.01279804699762 1.008 > 37 38 H 0.99692845588251 0.59886438450651 0.01279804699762 1.008 > 37 39 H 0.00307154411749 0.34886438450651 0.48720195300238 1.008 > 39 40 H 0.00307154411749 0.84886438450651 0.48720195300238 1.008 > 39 41 H 0.60652016177027 0.39917743623916 0.63338899051120 1.008 > 41 42 H 0.60652016177027 0.89917743623916 0.63338899051120 1.008 > 41 43 H 0.39347983822973 0.14917743623916 0.86661100948880 1.008 > 43 44 H 0.39347983822973 0.64917743623916 0.86661100948880 1.008 > 43 45 H 0.39347983822973 0.10082256376084 0.36661100948880 1.008 > 45 46 H 0.39347983822973 0.60082256376084 0.36661100948880 1.008 > 45 47 H 0.60652016177027 0.35082256376084 0.13338899051120 1.008 > 47 48 H 0.60652016177027 0.85082256376084 0.13338899051120 1.008 > 47 49 H 0.68653258385998 0.44256197694110 0.33323593861612 1.008 > 49 50 H 0.68653258385998 0.94256197694110 0.33323593861612 1.008 > 49 51 H 0.31346741614002 0.19256197694110 0.16676406138388 1.008 > 51 52 H 0.31346741614002 0.69256197694110 0.16676406138388 1.008 > 51 53 H 0.31346741614002 0.05743802305890 0.66676406138388 1.008 > 53 54 H 0.31346741614002 0.55743802305890 0.66676406138388 1.008 > 53 55 H 0.68653258385998 0.30743802305890 0.83323593861612 1.008 > 55 56 H 0.68653258385998 0.80743802305890 0.83323593861612 1.008 > 55 57 H 0.11431571537257 0.43377060252302 0.69825210108672 1.008 > 57 58 H 0.11431571537257 0.93377060252302 0.69825210108672 1.008 > 57 59 H 0.88568428462742 0.18377060252302 0.80174789891328 1.008 > 59 60 H 0.88568428462742 0.68377060252302 0.80174789891328 1.008 > 59 61 H 0.88568428462742 0.06622939747698 0.30174789891328 1.008 > 61 62 H 0.88568428462742 0.56622939747698 0.30174789891328 1.008 > 61 63 H 0.11431571537257 0.31622939747698 0.19825210108672 1.008 > 63 64 H 0.11431571537257 0.81622939747698 0.19825210108672 1.008 > 63 65 H 0.10370954696855 0.26845146726673 0.70520144082664 1.008 > 65 66 H 0.10370954696855 0.76845146726673 0.70520144082664 1.008 > 65 67 H 0.89629045303145 0.01845146726673 0.79479855917336 1.008 > 67 68 H 0.89629045303145 0.51845146726673 0.79479855917336 1.008 > 67 69 H 0.89629045303145 0.23154853273327 0.29479855917336 1.008 > 69 70 H 0.89629045303145 0.73154853273327 0.29479855917336 1.008 > 69 71 H 0.10370954696855 0.48154853273327 0.20520144082664 1.008 > 71 72 H 0.10370954696855 0.98154853273327 0.20520144082664 1.008 > 71 73 H 0.28327046336781 0.45235025810351 0.96295467815873 1.008 > 73 74 H 0.28327046336781 0.95235025810351 0.96295467815873 1.008 > 73 75 H 0.71672953663219 0.20235025810351 0.53704532184127 1.008 > 75 76 H 0.71672953663219 0.70235025810351 0.53704532184127 1.008 > 75 77 H 0.71672953663219 0.04764974189649 0.03704532184127 1.008 > 77 78 H 0.71672953663219 0.54764974189649 0.03704532184127 1.008 > 77 79 H 0.28327046336781 0.29764974189649 0.46295467815873 1.008 > 79 80 H 0.28327046336781 0.79764974189649 0.46295467815873 1.008 > 79 81 H 0.26748775085728 0.27650768788234 0.96509739003988 1.008 > 81 82 H 0.26748775085728 0.77650768788234 0.96509739003988 1.008 > 81 83 H 0.73251224914271 0.02650768788234 0.53490260996012 1.008 > 83 84 H 0.73251224914271 0.52650768788234 0.53490260996012 1.008 > 83 85 H 0.73251224914271 0.22349231211766 0.03490260996012 1.008 > 85 86 H 0.73251224914271 0.72349231211766 0.03490260996012 1.008 > 85 87 H 0.26748775085728 0.47349231211766 0.46509739003988 1.008 > 87 88 H 0.26748775085728 0.97349231211766 0.46509739003988 1.008 > 87 89 H 0.64998676996452 0.46969237454637 0.83739999625676 1.008 > 89 90 H 0.64998676996452 0.96969237454637 0.83739999625676 1.008 > 89 91 H 0.35001323003548 0.21969237454637 0.66260000374324 1.008 > 91 92 H 0.35001323003548 0.71969237454637 0.66260000374324 1.008 > 91 93 H 0.35001323003548 0.03030762545363 0.16260000374324 1.008 > 93 94 H 0.35001323003548 0.53030762545363 0.16260000374324 1.008 > 93 95 H 0.64998676996452 0.28030762545363 0.33739999625676 1.008 > 95 96 H 0.64998676996452 0.78030762545363 0.33739999625676 1.008 > 95 97 H 0.44706752132678 0.35379697088550 0.87058380501229 1.008 > 97 98 H 0.44706752132678 0.85379697088550 0.87058380501229 1.008 > 97 99 H 0.55293247867322 0.10379697088550 0.62941619498771 1.008 > 99 100 H 0.55293247867322 0.60379697088550 0.62941619498771 1.008 > 99 101 H 0.55293247867322 0.14620302911450 0.12941619498771 1.008 > 101 102 H 0.55293247867322 0.64620302911450 0.12941619498771 1.008 > 101 103 H 0.44706752132678 0.39620302911450 0.37058380501229 1.008 > 103 104 H 0.44706752132678 0.89620302911450 0.37058380501229 1.008 > 103 105 H 0.95335207320700 0.34541011449204 0.77462146081481 1.008 > 105 106 H 0.95335207320700 0.84541011449203 0.77462146081481 1.008 > 105 107 H 0.04664792679300 0.09541011449204 0.72537853918519 1.008 > 107 108 H 0.04664792679300 0.59541011449203 0.72537853918519 1.008 > 107 109 H 0.04664792679300 0.15458988550797 0.22537853918519 1.008 > 109 110 H 0.04664792679300 0.65458988550797 0.22537853918519 1.008 > 109 111 H 0.95335207320700 0.40458988550796 0.27462146081481 1.008 > 111 112 H 0.95335207320700 0.90458988550797 0.27462146081481 1.008 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0312583 0.0000000 -0.0641678 0.0000000 4.8211526 0.0000000 -0.0641720 0.0000000 5.0085189 -------------------------- Born effective charges -------------------------- 1 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 2 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 3 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 4 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 5 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 6 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 7 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 8 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 9 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 10 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 11 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 12 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 13 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 14 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 15 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 16 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 17 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 18 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 19 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 20 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 21 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 22 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 23 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 24 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 25 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 26 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 27 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 28 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 29 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 30 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 31 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 32 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 33 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 34 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 35 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 36 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 37 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 38 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 39 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 40 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 41 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 42 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 43 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 44 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 45 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 46 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 47 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 48 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 49 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 50 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 51 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 52 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 53 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 54 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 55 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 56 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 ---------------------------------------------------------------------------- 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 81, 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 89, 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Computing fc3[ 105, 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] [-0.0063 0.0000 0.0078] [ 0.0063 0.0000 -0.0078] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 2026-01-09 04:32:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:32:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 6.760747710000000 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): 1 Ca 0.78682673812984 0.72898842466247 0.54448833843459 40.078 2 Ca 0.21317326187016 0.22898842466247 0.95551166156541 40.078 3 Ca 0.21317326187016 0.27101157533753 0.45551166156541 40.078 4 Ca 0.78682673812984 0.77101157533753 0.04448833843459 40.078 5 Ca 0.34560368440407 0.77275301656933 0.65302962805916 40.078 6 Ca 0.65439631559593 0.27275301656933 0.84697037194084 40.078 7 Ca 0.65439631559593 0.22724698343067 0.34697037194084 40.078 8 Ca 0.34560368440407 0.72724698343067 0.15302962805916 40.078 9 Al 0.22002983555251 0.72241834675414 0.84556518855514 26.982 10 Al 0.77997016444749 0.22241834675414 0.65443481144486 26.982 11 Al 0.77997016444749 0.27758165324586 0.15443481144485 26.982 12 Al 0.22002983555251 0.77758165324586 0.34556518855515 26.982 13 Al 0.80821113568648 0.81015128378599 0.81034464650435 26.982 14 Al 0.19178886431352 0.31015128378599 0.68965535349565 26.982 15 Al 0.19178886431352 0.18984871621401 0.18965535349565 26.982 16 Al 0.80821113568648 0.68984871621401 0.31034464650435 26.982 17 H 0.00307154411749 0.80227123098697 0.98720195300238 1.008 18 H 0.99692845588251 0.30227123098697 0.51279804699762 1.008 19 H 0.99692845588251 0.19772876901303 0.01279804699762 1.008 20 H 0.00307154411749 0.69772876901303 0.48720195300238 1.008 21 H 0.60652016177027 0.79835487247832 0.63338899051120 1.008 22 H 0.39347983822973 0.29835487247831 0.86661100948880 1.008 23 H 0.39347983822973 0.20164512752169 0.36661100948880 1.008 24 H 0.60652016177027 0.70164512752168 0.13338899051120 1.008 25 H 0.68653258385998 0.88512395388220 0.33323593861612 1.008 26 H 0.31346741614002 0.38512395388220 0.16676406138388 1.008 27 H 0.31346741614002 0.11487604611780 0.66676406138388 1.008 28 H 0.68653258385998 0.61487604611780 0.83323593861612 1.008 29 H 0.11431571537257 0.86754120504604 0.69825210108672 1.008 30 H 0.88568428462742 0.36754120504604 0.80174789891328 1.008 31 H 0.88568428462742 0.13245879495396 0.30174789891328 1.008 32 H 0.11431571537257 0.63245879495396 0.19825210108672 1.008 33 H 0.10370954696855 0.53690293453345 0.70520144082664 1.008 34 H 0.89629045303145 0.03690293453346 0.79479855917336 1.008 35 H 0.89629045303145 0.46309706546654 0.29479855917336 1.008 36 H 0.10370954696855 0.96309706546655 0.20520144082664 1.008 37 H 0.28327046336781 0.90470051620702 0.96295467815873 1.008 38 H 0.71672953663219 0.40470051620703 0.53704532184127 1.008 39 H 0.71672953663219 0.09529948379297 0.03704532184127 1.008 40 H 0.28327046336781 0.59529948379298 0.46295467815873 1.008 41 H 0.26748775085728 0.55301537576468 0.96509739003988 1.008 42 H 0.73251224914271 0.05301537576468 0.53490260996012 1.008 43 H 0.73251224914271 0.44698462423532 0.03490260996012 1.008 44 H 0.26748775085728 0.94698462423532 0.46509739003988 1.008 45 H 0.64998676996452 0.93938474909274 0.83739999625676 1.008 46 H 0.35001323003548 0.43938474909274 0.66260000374324 1.008 47 H 0.35001323003548 0.06061525090726 0.16260000374324 1.008 48 H 0.64998676996452 0.56061525090726 0.33739999625676 1.008 49 H 0.44706752132678 0.70759394177100 0.87058380501229 1.008 50 H 0.55293247867322 0.20759394177100 0.62941619498771 1.008 51 H 0.55293247867322 0.29240605822900 0.12941619498771 1.008 52 H 0.44706752132678 0.79240605822900 0.37058380501229 1.008 53 H 0.95335207320700 0.69082022898407 0.77462146081481 1.008 54 H 0.04664792679300 0.19082022898407 0.72537853918519 1.008 55 H 0.04664792679300 0.30917977101593 0.22537853918519 1.008 56 H 0.95335207320700 0.80917977101593 0.27462146081481 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.183745460073183 0.000000000000000 0.000000000000000 b 0.000000000000000 13.521495420000001 0.000000000000000 c -7.643458444969242 0.000000000000000 9.473636895148845 Atomic positions (fractional): 1 Ca 0.78682673812984 0.36449421233124 0.54448833843459 40.078 > 1 2 Ca 0.78682673812984 0.86449421233124 0.54448833843459 40.078 > 1 3 Ca 0.21317326187016 0.11449421233124 0.95551166156541 40.078 > 3 4 Ca 0.21317326187016 0.61449421233124 0.95551166156541 40.078 > 3 5 Ca 0.21317326187016 0.13550578766876 0.45551166156541 40.078 > 5 6 Ca 0.21317326187016 0.63550578766876 0.45551166156541 40.078 > 5 7 Ca 0.78682673812984 0.38550578766876 0.04448833843459 40.078 > 7 8 Ca 0.78682673812984 0.88550578766876 0.04448833843459 40.078 > 7 9 Ca 0.34560368440407 0.38637650828466 0.65302962805916 40.078 > 9 10 Ca 0.34560368440407 0.88637650828466 0.65302962805916 40.078 > 9 11 Ca 0.65439631559593 0.13637650828466 0.84697037194084 40.078 > 11 12 Ca 0.65439631559593 0.63637650828466 0.84697037194084 40.078 > 11 13 Ca 0.65439631559593 0.11362349171534 0.34697037194084 40.078 > 13 14 Ca 0.65439631559593 0.61362349171534 0.34697037194084 40.078 > 13 15 Ca 0.34560368440407 0.36362349171534 0.15302962805916 40.078 > 15 16 Ca 0.34560368440407 0.86362349171534 0.15302962805916 40.078 > 15 17 Al 0.22002983555251 0.36120917337707 0.84556518855514 26.982 > 17 18 Al 0.22002983555251 0.86120917337707 0.84556518855514 26.982 > 17 19 Al 0.77997016444749 0.11120917337707 0.65443481144486 26.982 > 19 20 Al 0.77997016444749 0.61120917337707 0.65443481144486 26.982 > 19 21 Al 0.77997016444749 0.13879082662293 0.15443481144485 26.982 > 21 22 Al 0.77997016444749 0.63879082662293 0.15443481144485 26.982 > 21 23 Al 0.22002983555251 0.38879082662293 0.34556518855515 26.982 > 23 24 Al 0.22002983555251 0.88879082662293 0.34556518855515 26.982 > 23 25 Al 0.80821113568648 0.40507564189300 0.81034464650435 26.982 > 25 26 Al 0.80821113568648 0.90507564189300 0.81034464650435 26.982 > 25 27 Al 0.19178886431352 0.15507564189300 0.68965535349565 26.982 > 27 28 Al 0.19178886431352 0.65507564189300 0.68965535349565 26.982 > 27 29 Al 0.19178886431352 0.09492435810700 0.18965535349565 26.982 > 29 30 Al 0.19178886431352 0.59492435810700 0.18965535349565 26.982 > 29 31 Al 0.80821113568648 0.34492435810700 0.31034464650435 26.982 > 31 32 Al 0.80821113568648 0.84492435810700 0.31034464650435 26.982 > 31 33 H 0.00307154411749 0.40113561549349 0.98720195300238 1.008 > 33 34 H 0.00307154411749 0.90113561549349 0.98720195300238 1.008 > 33 35 H 0.99692845588251 0.15113561549349 0.51279804699762 1.008 > 35 36 H 0.99692845588251 0.65113561549349 0.51279804699762 1.008 > 35 37 H 0.99692845588251 0.09886438450651 0.01279804699762 1.008 > 37 38 H 0.99692845588251 0.59886438450651 0.01279804699762 1.008 > 37 39 H 0.00307154411749 0.34886438450651 0.48720195300238 1.008 > 39 40 H 0.00307154411749 0.84886438450651 0.48720195300238 1.008 > 39 41 H 0.60652016177027 0.39917743623916 0.63338899051120 1.008 > 41 42 H 0.60652016177027 0.89917743623916 0.63338899051120 1.008 > 41 43 H 0.39347983822973 0.14917743623916 0.86661100948880 1.008 > 43 44 H 0.39347983822973 0.64917743623916 0.86661100948880 1.008 > 43 45 H 0.39347983822973 0.10082256376084 0.36661100948880 1.008 > 45 46 H 0.39347983822973 0.60082256376084 0.36661100948880 1.008 > 45 47 H 0.60652016177027 0.35082256376084 0.13338899051120 1.008 > 47 48 H 0.60652016177027 0.85082256376084 0.13338899051120 1.008 > 47 49 H 0.68653258385998 0.44256197694110 0.33323593861612 1.008 > 49 50 H 0.68653258385998 0.94256197694110 0.33323593861612 1.008 > 49 51 H 0.31346741614002 0.19256197694110 0.16676406138388 1.008 > 51 52 H 0.31346741614002 0.69256197694110 0.16676406138388 1.008 > 51 53 H 0.31346741614002 0.05743802305890 0.66676406138388 1.008 > 53 54 H 0.31346741614002 0.55743802305890 0.66676406138388 1.008 > 53 55 H 0.68653258385998 0.30743802305890 0.83323593861612 1.008 > 55 56 H 0.68653258385998 0.80743802305890 0.83323593861612 1.008 > 55 57 H 0.11431571537257 0.43377060252302 0.69825210108672 1.008 > 57 58 H 0.11431571537257 0.93377060252302 0.69825210108672 1.008 > 57 59 H 0.88568428462742 0.18377060252302 0.80174789891328 1.008 > 59 60 H 0.88568428462742 0.68377060252302 0.80174789891328 1.008 > 59 61 H 0.88568428462742 0.06622939747698 0.30174789891328 1.008 > 61 62 H 0.88568428462742 0.56622939747698 0.30174789891328 1.008 > 61 63 H 0.11431571537257 0.31622939747698 0.19825210108672 1.008 > 63 64 H 0.11431571537257 0.81622939747698 0.19825210108672 1.008 > 63 65 H 0.10370954696855 0.26845146726673 0.70520144082664 1.008 > 65 66 H 0.10370954696855 0.76845146726673 0.70520144082664 1.008 > 65 67 H 0.89629045303145 0.01845146726673 0.79479855917336 1.008 > 67 68 H 0.89629045303145 0.51845146726673 0.79479855917336 1.008 > 67 69 H 0.89629045303145 0.23154853273327 0.29479855917336 1.008 > 69 70 H 0.89629045303145 0.73154853273327 0.29479855917336 1.008 > 69 71 H 0.10370954696855 0.48154853273327 0.20520144082664 1.008 > 71 72 H 0.10370954696855 0.98154853273327 0.20520144082664 1.008 > 71 73 H 0.28327046336781 0.45235025810351 0.96295467815873 1.008 > 73 74 H 0.28327046336781 0.95235025810351 0.96295467815873 1.008 > 73 75 H 0.71672953663219 0.20235025810351 0.53704532184127 1.008 > 75 76 H 0.71672953663219 0.70235025810351 0.53704532184127 1.008 > 75 77 H 0.71672953663219 0.04764974189649 0.03704532184127 1.008 > 77 78 H 0.71672953663219 0.54764974189649 0.03704532184127 1.008 > 77 79 H 0.28327046336781 0.29764974189649 0.46295467815873 1.008 > 79 80 H 0.28327046336781 0.79764974189649 0.46295467815873 1.008 > 79 81 H 0.26748775085728 0.27650768788234 0.96509739003988 1.008 > 81 82 H 0.26748775085728 0.77650768788234 0.96509739003988 1.008 > 81 83 H 0.73251224914271 0.02650768788234 0.53490260996012 1.008 > 83 84 H 0.73251224914271 0.52650768788234 0.53490260996012 1.008 > 83 85 H 0.73251224914271 0.22349231211766 0.03490260996012 1.008 > 85 86 H 0.73251224914271 0.72349231211766 0.03490260996012 1.008 > 85 87 H 0.26748775085728 0.47349231211766 0.46509739003988 1.008 > 87 88 H 0.26748775085728 0.97349231211766 0.46509739003988 1.008 > 87 89 H 0.64998676996452 0.46969237454637 0.83739999625676 1.008 > 89 90 H 0.64998676996452 0.96969237454637 0.83739999625676 1.008 > 89 91 H 0.35001323003548 0.21969237454637 0.66260000374324 1.008 > 91 92 H 0.35001323003548 0.71969237454637 0.66260000374324 1.008 > 91 93 H 0.35001323003548 0.03030762545363 0.16260000374324 1.008 > 93 94 H 0.35001323003548 0.53030762545363 0.16260000374324 1.008 > 93 95 H 0.64998676996452 0.28030762545363 0.33739999625676 1.008 > 95 96 H 0.64998676996452 0.78030762545363 0.33739999625676 1.008 > 95 97 H 0.44706752132678 0.35379697088550 0.87058380501229 1.008 > 97 98 H 0.44706752132678 0.85379697088550 0.87058380501229 1.008 > 97 99 H 0.55293247867322 0.10379697088550 0.62941619498771 1.008 > 99 100 H 0.55293247867322 0.60379697088550 0.62941619498771 1.008 > 99 101 H 0.55293247867322 0.14620302911450 0.12941619498771 1.008 > 101 102 H 0.55293247867322 0.64620302911450 0.12941619498771 1.008 > 101 103 H 0.44706752132678 0.39620302911450 0.37058380501229 1.008 > 103 104 H 0.44706752132678 0.89620302911450 0.37058380501229 1.008 > 103 105 H 0.95335207320700 0.34541011449204 0.77462146081481 1.008 > 105 106 H 0.95335207320700 0.84541011449203 0.77462146081481 1.008 > 105 107 H 0.04664792679300 0.09541011449204 0.72537853918519 1.008 > 107 108 H 0.04664792679300 0.59541011449203 0.72537853918519 1.008 > 107 109 H 0.04664792679300 0.15458988550797 0.22537853918519 1.008 > 109 110 H 0.04664792679300 0.65458988550797 0.22537853918519 1.008 > 109 111 H 0.95335207320700 0.40458988550796 0.27462146081481 1.008 > 111 112 H 0.95335207320700 0.90458988550797 0.27462146081481 1.008 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0312583 0.0000000 -0.0641678 0.0000000 4.8211526 0.0000000 -0.0641720 0.0000000 5.0085189 -------------------------- Born effective charges -------------------------- 1 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 2 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 3 Ca 2.0533765 -0.2702491 -0.0231284 -0.2624844 1.9845622 0.0053659 -0.1334534 0.0117862 2.4919408 4 Ca 2.0533765 0.2702491 -0.0231284 0.2624844 1.9845622 -0.0053659 -0.1334534 -0.0117862 2.4919408 5 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 6 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 7 Ca 2.3703756 0.2448195 0.0330762 0.2479965 1.9841114 -0.0312723 0.0728185 -0.0094574 2.2737401 8 Ca 2.3703756 -0.2448195 0.0330762 -0.2479965 1.9841114 0.0312723 0.0728185 0.0094574 2.2737401 9 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 10 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 11 Al 2.4692192 -0.1391559 -0.0086557 -0.1977403 2.0659810 0.2021201 0.0509514 0.1168294 2.4166580 12 Al 2.4692192 0.1391559 -0.0086557 0.1977403 2.0659810 -0.2021201 0.0509514 -0.1168294 2.4166580 13 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 14 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 15 Al 2.5128554 0.1127180 -0.2051876 0.2173941 2.3881570 -0.0278760 -0.1977815 -0.0950590 1.9391904 16 Al 2.5128554 -0.1127180 -0.2051876 -0.2173941 2.3881570 0.0278760 -0.1977815 0.0950590 1.9391904 17 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 18 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 19 H -0.9655337 -0.0345670 -0.0558719 -0.0074237 -0.5838340 0.0397273 -0.0250377 0.0640428 -1.1065817 20 H -0.9655337 0.0345670 -0.0558719 0.0074237 -0.5838340 -0.0397273 -0.0250377 -0.0640428 -1.1065817 21 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 22 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 23 H -1.1495810 -0.0231615 0.0054694 -0.0039975 -0.5927968 -0.0429074 0.0370469 -0.0753269 -0.9195304 24 H -1.1495810 0.0231615 0.0054694 0.0039975 -0.5927968 0.0429074 0.0370469 0.0753269 -0.9195304 25 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 26 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 27 H -0.8990376 0.1707888 -0.0087390 0.2100601 -1.1462779 -0.0580283 0.0022781 -0.0081939 -0.8422301 28 H -0.8990376 -0.1707888 -0.0087390 -0.2100601 -1.1462779 0.0580283 0.0022781 0.0081939 -0.8422301 29 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 30 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 31 H -0.9533636 -0.0145601 0.0349980 -0.0306431 -0.7638579 0.1095266 -0.0117600 0.0064709 -0.9760197 32 H -0.9533636 0.0145601 0.0349980 0.0306431 -0.7638579 -0.1095266 -0.0117600 -0.0064709 -0.9760197 33 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 34 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 35 H -0.8127798 0.2565067 0.0563745 0.2670171 -1.2041694 -0.2363659 0.0291591 -0.1807117 -0.8753860 36 H -0.8127798 -0.2565067 0.0563745 -0.2670171 -1.2041694 0.2363659 0.0291591 0.1807117 -0.8753860 37 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 38 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 39 H -0.6705485 0.0763194 0.1385110 0.1149393 -1.0212469 -0.1552880 0.1066125 -0.0545664 -0.8975405 40 H -0.6705485 -0.0763194 0.1385110 -0.1149393 -1.0212469 0.1552880 0.1066125 0.0545664 -0.8975405 41 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 42 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 43 H -0.6345117 -0.0053571 0.1302089 -0.0979980 -1.0191468 0.1143106 0.1417743 0.0242049 -0.9297537 44 H -0.6345117 0.0053571 0.1302089 0.0979980 -1.0191468 -0.1143106 0.1417743 -0.0242049 -0.9297537 45 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 46 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 47 H -0.9136651 0.0161931 0.0106433 0.1198950 -0.9734332 -0.0305741 0.0349997 -0.0119893 -0.8632717 48 H -0.9136651 -0.0161931 0.0106433 -0.1198950 -0.9734332 0.0305741 0.0349997 0.0119893 -0.8632717 49 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 50 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 51 H -1.0931997 -0.0520391 -0.0974059 -0.0792757 -0.5420981 -0.0082791 -0.1273396 -0.0165303 -0.9107038 52 H -1.0931997 0.0520391 -0.0974059 0.0792757 -0.5420981 0.0082791 -0.1273396 0.0165303 -0.9107038 53 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 54 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 55 H -1.3136059 0.1431976 -0.0102928 0.2385157 -0.5759506 -0.0347019 0.0197317 -0.0219037 -0.8005116 56 H -1.3136059 -0.1431976 -0.0102928 -0.2385157 -0.5759506 0.0347019 0.0197317 0.0219037 -0.8005116 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 15.022 ( 0.000 0.000 0.000) 0.000 16.178 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 17.352 ( 0.000 0.000 0.000) 0.000 17.734 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 18.160 ( 0.000 0.000 0.000) 0.000 18.217 ( 0.000 0.000 0.000) 0.000 18.690 ( 0.000 0.000 0.000) 0.000 18.889 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 19.224 ( 0.000 0.000 0.000) 0.000 19.516 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 20.703 ( 0.000 0.000 0.000) 0.000 20.817 ( 0.000 0.000 0.000) 0.000 21.057 ( 0.000 0.000 0.000) 0.000 21.549 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.742 ( 0.000 0.000 0.000) 0.000 21.773 ( 0.000 0.000 0.000) 0.000 22.028 ( 0.000 0.000 0.000) 0.000 22.670 ( 0.000 0.000 0.000) 0.000 22.729 ( 0.000 0.000 0.000) 0.000 22.880 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 23.077 ( 0.000 0.000 0.000) 0.000 23.110 ( 0.000 0.000 0.000) 0.000 23.518 ( 0.000 0.000 0.000) 0.000 24.214 ( 0.000 0.000 0.000) 0.000 24.556 ( 0.000 0.000 0.000) 0.000 24.807 ( 0.000 0.000 0.000) 0.000 25.561 ( 0.000 0.000 0.000) 0.000 25.801 ( 0.000 0.000 0.000) 0.000 25.914 ( 0.000 0.000 0.000) 0.000 26.276 ( 0.000 0.000 0.000) 0.000 26.513 ( 0.000 0.000 0.000) 0.000 26.549 ( 0.000 0.000 0.000) 0.000 26.598 ( 0.000 0.000 0.000) 0.000 27.046 ( 0.000 0.000 0.000) 0.000 27.242 ( 0.000 0.000 0.000) 0.000 27.808 ( 0.000 0.000 0.000) 0.000 27.874 ( 0.000 0.000 0.000) 0.000 28.133 ( 0.000 0.000 0.000) 0.000 28.219 ( 0.000 0.000 0.000) 0.000 28.442 ( 0.000 0.000 0.000) 0.000 28.640 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.998 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.417 ( 0.000 0.000 0.000) 0.000 29.607 ( 0.000 0.000 0.000) 0.000 29.727 ( 0.000 0.000 0.000) 0.000 29.835 ( 0.000 0.000 0.000) 0.000 29.922 ( 0.000 0.000 0.000) 0.000 30.242 ( 0.000 0.000 0.000) 0.000 30.282 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 30.527 ( 0.000 0.000 0.000) 0.000 30.812 ( 0.000 0.000 0.000) 0.000 30.887 ( 0.000 0.000 0.000) 0.000 30.991 ( 0.000 0.000 0.000) 0.000 31.350 ( 0.000 0.000 0.000) 0.000 31.426 ( 0.000 0.000 0.000) 0.000 31.842 ( 0.000 0.000 0.000) 0.000 32.113 ( 0.000 0.000 0.000) 0.000 32.236 ( 0.000 0.000 0.000) 0.000 32.884 ( 0.000 0.000 0.000) 0.000 33.720 ( 0.000 0.000 0.000) 0.000 34.177 ( 0.000 0.000 0.000) 0.000 34.661 ( 0.000 0.000 0.000) 0.000 34.669 ( 0.000 0.000 0.000) 0.000 37.564 ( 0.000 0.000 0.000) 0.000 37.586 ( 0.000 0.000 0.000) 0.000 38.972 ( 0.000 0.000 0.000) 0.000 38.993 ( 0.000 0.000 0.000) 0.000 40.542 ( 0.000 0.000 0.000) 0.000 40.561 ( 0.000 0.000 0.000) 0.000 40.808 ( 0.000 0.000 0.000) 0.000 40.865 ( 0.000 0.000 0.000) 0.000 42.214 ( 0.000 0.000 0.000) 0.000 42.219 ( 0.000 0.000 0.000) 0.000 42.279 ( 0.000 0.000 0.000) 0.000 42.347 ( 0.000 0.000 0.000) 0.000 43.677 ( 0.000 0.000 0.000) 0.000 43.699 ( 0.000 0.000 0.000) 0.000 44.412 ( 0.000 0.000 0.000) 0.000 44.509 ( 0.000 0.000 0.000) 0.000 44.706 ( 0.000 0.000 0.000) 0.000 44.724 ( 0.000 0.000 0.000) 0.000 44.726 ( 0.000 0.000 0.000) 0.000 44.874 ( 0.000 0.000 0.000) 0.000 44.980 ( 0.000 0.000 0.000) 0.000 45.072 ( 0.000 0.000 0.000) 0.000 45.957 ( 0.000 0.000 0.000) 0.000 46.636 ( 0.000 0.000 0.000) 0.000 46.882 ( 0.000 0.000 0.000) 0.000 47.436 ( 0.000 0.000 0.000) 0.000 47.640 ( 0.000 0.000 0.000) 0.000 47.722 ( 0.000 0.000 0.000) 0.000 47.824 ( 0.000 0.000 0.000) 0.000 48.193 ( 0.000 0.000 0.000) 0.000 48.209 ( 0.000 0.000 0.000) 0.000 48.481 ( 0.000 0.000 0.000) 0.000 49.517 ( 0.000 0.000 0.000) 0.000 49.760 ( 0.000 0.000 0.000) 0.000 49.899 ( 0.000 0.000 0.000) 0.000 49.911 ( 0.000 0.000 0.000) 0.000 52.070 ( 0.000 0.000 0.000) 0.000 52.254 ( 0.000 0.000 0.000) 0.000 52.619 ( 0.000 0.000 0.000) 0.000 52.761 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 24.918 0.000 14.185) 28.673 0.726 ( 24.324 0.000 28.065) 37.139 1.514 ( 54.737 0.000 50.769) 74.657 2.615 ( -4.920 0.000 -9.974) 11.121 2.923 ( -0.503 0.000 -8.099) 8.114 3.080 ( -3.669 0.000 -3.452) 5.038 3.201 ( 12.002 0.000 9.003) 15.003 3.456 ( 0.293 0.000 9.600) 9.604 3.727 ( 3.332 0.000 14.827) 15.197 3.859 ( 1.584 0.000 4.186) 4.475 4.007 ( -7.583 0.000 -18.543) 20.033 4.033 ( 0.004 0.000 0.708) 0.708 4.229 ( -16.448 0.000 -24.015) 29.108 4.407 ( -5.135 0.000 4.518) 6.840 4.538 ( 3.105 0.000 -0.579) 3.159 4.683 ( -13.458 0.000 2.194) 13.635 4.912 ( -13.280 0.000 -2.172) 13.457 5.065 ( 7.444 0.000 -0.255) 7.448 5.235 ( -4.946 0.000 -1.309) 5.116 5.282 ( 6.424 0.000 2.992) 7.087 5.476 ( -0.723 0.000 -0.877) 1.136 5.509 ( -0.735 0.000 2.775) 2.871 5.555 ( 10.699 0.000 7.212) 12.903 5.746 ( -4.166 0.000 2.788) 5.013 6.180 ( -8.001 0.000 -10.641) 13.313 6.188 ( -0.203 0.000 -7.947) 7.950 6.378 ( -0.162 0.000 6.429) 6.431 6.628 ( -6.319 0.000 -10.436) 12.200 7.030 ( 6.169 0.000 -3.622) 7.154 7.180 ( 0.248 0.000 0.575) 0.626 7.180 ( 6.913 0.000 8.138) 10.678 7.212 ( -3.139 0.000 -5.158) 6.038 7.406 ( -2.427 0.000 0.222) 2.438 7.442 ( -1.654 0.000 -7.342) 7.526 7.569 ( 7.305 0.000 -0.425) 7.318 7.710 ( -5.995 0.000 2.191) 6.383 7.990 ( 0.811 0.000 1.547) 1.746 8.035 ( 5.061 0.000 3.706) 6.273 8.075 ( -4.371 0.000 -8.803) 9.828 8.373 ( -1.318 0.000 9.598) 9.688 8.428 ( -7.553 0.000 -1.515) 7.704 8.449 ( -4.313 0.000 -6.787) 8.042 8.873 ( 3.321 0.000 -0.206) 3.327 8.929 ( -7.151 0.000 13.752) 15.500 8.960 ( 6.786 0.000 -1.642) 6.981 9.309 ( 2.747 0.000 1.897) 3.338 9.606 ( 5.457 0.000 0.597) 5.489 10.063 ( 0.957 0.000 0.960) 1.356 12.183 ( 10.512 0.000 4.942) 11.616 12.692 ( -2.525 0.000 -13.846) 14.074 12.936 ( 5.380 0.000 8.356) 9.938 13.361 ( 0.562 0.000 18.248) 18.257 13.505 ( -3.788 0.000 3.776) 5.348 13.982 ( -5.266 0.000 -2.939) 6.031 14.584 ( 0.336 0.000 -6.506) 6.514 15.051 ( -1.279 0.000 5.545) 5.691 16.169 ( 2.951 0.000 -5.732) 6.447 16.830 ( -1.148 0.000 -4.937) 5.068 16.893 ( 0.204 0.000 -9.320) 9.322 17.225 ( -4.531 0.000 -15.612) 16.256 17.553 ( -3.080 0.000 -14.856) 15.172 18.037 ( 10.427 0.000 -7.799) 13.020 18.249 ( -6.612 0.000 17.172) 18.401 18.265 ( 1.953 0.000 5.515) 5.851 18.635 ( 2.756 0.000 -4.352) 5.151 18.830 ( -4.453 0.000 -5.276) 6.904 18.998 ( -11.528 0.000 14.635) 18.630 19.256 ( -2.154 0.000 4.878) 5.333 19.540 ( 5.952 0.000 -0.089) 5.953 19.704 ( 7.782 0.000 2.305) 8.116 20.812 ( 2.925 0.000 -4.824) 5.642 20.903 ( 18.253 0.000 6.776) 19.471 21.431 ( -9.105 0.000 -5.559) 10.668 21.617 ( 5.815 0.000 -8.402) 10.217 21.687 ( 11.705 0.000 -17.357) 20.935 21.761 ( 4.608 0.000 -2.494) 5.239 22.063 ( 1.676 0.000 3.772) 4.128 22.544 ( 53.892 0.000 -70.371) 88.636 22.708 ( -9.581 0.000 5.144) 10.875 22.757 ( 6.669 0.000 4.093) 7.825 22.885 ( 1.641 0.000 -3.509) 3.874 23.012 ( -2.537 0.000 -4.360) 5.045 23.116 ( 4.915 0.000 3.894) 6.271 23.138 ( 1.695 0.000 2.698) 3.186 23.490 ( -4.233 0.000 0.745) 4.298 24.214 ( -0.332 0.000 0.160) 0.369 24.589 ( 1.302 0.000 -2.036) 2.417 24.781 ( -0.615 0.000 -3.072) 3.133 25.825 ( 1.237 0.000 2.559) 2.843 25.885 ( -2.559 0.000 -1.142) 2.802 26.274 ( -0.092 0.000 -0.415) 0.425 26.454 ( -5.419 0.000 9.512) 10.947 26.503 ( -0.093 0.000 -1.663) 1.665 26.553 ( 0.209 0.000 0.507) 0.549 27.004 ( -32.862 0.000 44.635) 55.427 27.166 ( -4.130 0.000 20.586) 20.996 27.206 ( -6.750 0.000 3.237) 7.486 27.743 ( -5.942 0.000 -3.036) 6.673 28.108 ( -8.548 0.000 9.796) 13.001 28.159 ( -4.810 0.000 -2.083) 5.242 28.308 ( 2.809 0.000 8.469) 8.923 28.484 ( -3.460 0.000 8.329) 9.019 28.628 ( -6.580 0.000 -0.960) 6.650 29.000 ( 2.065 0.000 -2.228) 3.038 29.377 ( -3.398 0.000 -4.616) 5.732 29.377 ( 1.382 0.000 -4.602) 4.805 29.493 ( -0.824 0.000 -8.614) 8.653 29.723 ( -7.534 0.000 -5.345) 9.238 29.833 ( 7.798 0.000 -9.667) 12.420 29.871 ( 5.392 0.000 4.254) 6.868 30.089 ( 0.177 0.000 -4.196) 4.199 30.360 ( 9.498 0.000 2.182) 9.746 30.405 ( 12.010 0.000 -1.591) 12.115 30.476 ( -1.090 0.000 -5.835) 5.936 30.737 ( -6.326 0.000 -2.957) 6.983 30.849 ( -1.733 0.000 -3.007) 3.470 31.017 ( 0.570 0.000 3.475) 3.522 31.280 ( 13.078 0.000 -7.803) 15.228 31.432 ( -3.055 0.000 7.559) 8.153 31.912 ( 6.224 0.000 2.656) 6.767 32.100 ( -2.139 0.000 1.251) 2.478 32.133 ( 16.964 0.000 -29.741) 34.239 32.242 ( 3.210 0.000 -4.713) 5.703 32.904 ( 3.692 0.000 -1.866) 4.136 33.775 ( 2.211 0.000 5.169) 5.622 34.129 ( -3.791 0.000 -2.749) 4.683 34.693 ( -0.500 0.000 4.437) 4.465 34.882 ( -14.347 0.000 17.956) 22.984 37.536 ( -1.698 0.000 -2.039) 2.654 37.607 ( 1.449 0.000 1.425) 2.032 38.995 ( 1.198 0.000 2.031) 2.358 39.019 ( -2.539 0.000 1.723) 3.069 40.564 ( 2.525 0.000 0.316) 2.545 40.796 ( -0.450 0.000 -1.438) 1.507 40.836 ( -0.891 0.000 -3.286) 3.405 40.872 ( -9.580 0.000 10.542) 14.244 42.140 ( -6.638 0.000 -1.283) 6.761 42.234 ( -0.406 0.000 1.869) 1.913 42.305 ( -0.321 0.000 1.956) 1.982 42.361 ( -0.512 0.000 4.011) 4.043 43.747 ( 6.015 0.000 -0.058) 6.016 44.044 ( 23.859 0.000 -24.215) 33.994 44.409 ( -0.508 0.000 0.162) 0.534 44.515 ( -0.078 0.000 1.049) 1.052 44.710 ( -0.652 0.000 -1.155) 1.327 44.718 ( -0.179 0.000 -0.767) 0.788 44.725 ( -1.414 0.000 2.264) 2.670 44.876 ( -0.563 0.000 1.062) 1.202 44.952 ( -2.123 0.000 -1.760) 2.758 45.059 ( -1.009 0.000 -0.729) 1.245 46.499 ( -37.376 0.000 40.935) 55.431 46.632 ( -0.835 0.000 0.584) 1.019 46.896 ( 1.609 0.000 0.217) 1.623 47.413 ( -2.883 0.000 0.055) 2.884 47.577 ( -6.191 0.000 -1.171) 6.301 47.735 ( -0.657 0.000 2.926) 2.999 47.871 ( 4.533 0.000 -0.227) 4.539 48.157 ( -2.990 0.000 -1.610) 3.396 48.515 ( 1.825 0.000 2.695) 3.255 48.519 ( 9.446 0.000 -19.048) 21.261 49.543 ( 3.625 0.000 -0.602) 3.674 49.784 ( -0.056 0.000 3.598) 3.598 49.937 ( 6.467 0.000 -3.870) 7.536 50.514 ( -2.736 0.000 1.454) 3.099 52.268 ( 2.045 0.000 -0.319) 2.070 52.334 ( 17.023 0.000 -20.728) 26.822 52.631 ( 1.466 0.000 0.128) 1.472 52.764 ( 0.793 0.000 -0.507) 0.942 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 22.695 0.000 14.104) 26.721 1.420 ( 23.231 0.000 24.576) 33.818 2.306 ( -7.017 0.000 -12.554) 14.382 2.718 ( 8.727 0.000 6.904) 11.128 2.924 ( -8.136 0.000 -7.542) 11.094 3.034 ( 31.261 0.000 30.992) 44.020 3.386 ( 1.458 0.000 3.952) 4.212 3.566 ( -4.578 0.000 -31.946) 32.272 3.683 ( 11.317 0.000 8.736) 14.297 3.767 ( -10.856 0.000 -15.984) 19.322 3.933 ( -3.320 0.000 0.960) 3.456 3.992 ( 3.450 0.000 14.547) 14.950 4.119 ( 11.962 0.000 11.873) 16.854 4.311 ( -17.157 0.000 -0.014) 17.157 4.478 ( -14.715 0.000 7.739) 16.626 4.623 ( 6.176 0.000 4.585) 7.692 4.659 ( -15.836 0.000 -0.310) 15.839 5.150 ( 8.129 0.000 -5.068) 9.579 5.157 ( -3.847 0.000 0.555) 3.887 5.356 ( 6.277 0.000 -7.758) 9.980 5.469 ( -3.859 0.000 5.276) 6.536 5.528 ( -0.859 0.000 2.454) 2.600 5.692 ( 0.360 0.000 -0.286) 0.460 5.729 ( -4.131 0.000 3.881) 5.668 6.037 ( 4.065 0.000 -3.587) 5.421 6.087 ( -0.972 0.000 -6.908) 6.976 6.343 ( -12.242 0.000 -8.422) 14.859 6.446 ( 0.006 0.000 4.556) 4.556 7.029 ( -9.277 0.000 -10.035) 13.666 7.055 ( 7.670 0.000 -10.433) 12.949 7.158 ( -3.154 0.000 -5.176) 6.061 7.302 ( 0.164 0.000 0.082) 0.183 7.313 ( -0.368 0.000 -6.221) 6.232 7.445 ( 3.385 0.000 3.427) 4.817 7.635 ( -1.281 0.000 3.339) 3.576 7.723 ( 3.652 0.000 4.245) 5.600 7.859 ( -9.300 0.000 -7.866) 12.181 8.006 ( -0.963 0.000 1.813) 2.052 8.200 ( 7.104 0.000 6.599) 9.696 8.236 ( -9.265 0.000 -7.400) 11.857 8.255 ( -7.387 0.000 -8.104) 10.965 8.485 ( -1.047 0.000 10.480) 10.532 8.949 ( 5.551 0.000 0.677) 5.592 9.000 ( -2.271 0.000 8.810) 9.098 9.069 ( 10.739 0.000 -3.064) 11.168 9.376 ( 1.302 0.000 2.858) 3.140 9.706 ( 6.838 0.000 -0.546) 6.860 10.101 ( 1.504 0.000 1.952) 2.464 12.467 ( 16.879 0.000 4.874) 17.569 12.484 ( -3.136 0.000 -11.786) 12.196 13.152 ( 2.461 0.000 11.056) 11.327 13.548 ( 0.700 0.000 12.506) 12.525 13.566 ( -2.230 0.000 14.158) 14.332 13.845 ( -6.757 0.000 -2.447) 7.187 14.534 ( 2.904 0.000 -3.141) 4.277 15.081 ( -4.704 0.000 4.279) 6.360 16.103 ( 3.054 0.000 -13.140) 13.490 16.671 ( -6.142 0.000 -17.829) 18.858 16.755 ( -0.963 0.000 -4.039) 4.152 16.895 ( -7.567 0.000 -17.688) 19.238 17.412 ( 1.345 0.000 -5.010) 5.187 18.131 ( 10.150 0.000 -1.854) 10.318 18.348 ( -3.235 0.000 11.801) 12.236 18.390 ( 1.812 0.000 8.086) 8.287 18.633 ( -8.453 0.000 -9.460) 12.686 18.710 ( 4.979 0.000 3.562) 6.122 18.938 ( -11.436 0.000 7.375) 13.608 19.183 ( -11.454 0.000 0.699) 11.476 19.747 ( 13.729 0.000 6.079) 15.015 19.909 ( 6.011 0.000 13.050) 14.368 20.775 ( 4.007 0.000 -10.016) 10.787 21.188 ( -3.951 0.000 -7.752) 8.701 21.360 ( 20.044 0.000 9.308) 22.099 21.593 ( 6.266 0.000 -11.628) 13.209 21.619 ( -4.398 0.000 -2.816) 5.222 21.818 ( 5.927 0.000 -1.765) 6.184 22.146 ( 1.634 0.000 4.120) 4.432 22.477 ( 22.079 0.000 -34.471) 40.936 22.609 ( -7.693 0.000 2.373) 8.051 22.800 ( -4.057 0.000 -4.097) 5.766 22.940 ( 7.310 0.000 6.853) 10.019 22.984 ( 4.641 0.000 -4.379) 6.381 23.189 ( 2.323 0.000 0.956) 2.512 23.271 ( 5.668 0.000 5.916) 8.193 23.416 ( -6.545 0.000 1.110) 6.639 24.191 ( -2.018 0.000 -1.669) 2.619 24.583 ( 1.557 0.000 -2.438) 2.893 24.735 ( 0.398 0.000 -3.065) 3.090 25.821 ( -3.644 0.000 -0.955) 3.767 25.904 ( 3.015 0.000 4.688) 5.574 26.255 ( -0.864 0.000 -1.701) 1.908 26.452 ( -4.117 0.000 0.450) 4.141 26.498 ( 1.619 0.000 0.089) 1.622 26.570 ( 0.699 0.000 0.953) 1.182 27.098 ( -13.245 0.000 26.952) 30.030 27.144 ( -7.988 0.000 6.180) 10.100 27.383 ( 3.384 0.000 13.980) 14.384 27.577 ( -9.241 0.000 -3.260) 9.799 28.062 ( -3.705 0.000 -2.363) 4.394 28.117 ( -4.260 0.000 6.845) 8.062 28.431 ( -0.357 0.000 7.605) 7.613 28.505 ( -7.013 0.000 -0.766) 7.055 28.586 ( 2.183 0.000 8.752) 9.020 28.993 ( 2.422 0.000 -7.197) 7.593 29.172 ( -14.138 0.000 -2.156) 14.301 29.321 ( 4.957 0.000 -11.618) 12.632 29.408 ( -2.308 0.000 0.279) 2.325 29.528 ( -2.125 0.000 -12.599) 12.777 29.806 ( 4.211 0.000 -10.869) 11.656 29.976 ( -4.941 0.000 -5.236) 7.199 30.058 ( 7.857 0.000 5.233) 9.440 30.372 ( -3.224 0.000 -3.845) 5.018 30.505 ( 2.304 0.000 -7.040) 7.407 30.605 ( 11.486 0.000 8.258) 14.146 30.638 ( 2.542 0.000 -0.882) 2.691 30.793 ( -0.500 0.000 -2.071) 2.131 31.085 ( 1.390 0.000 4.404) 4.618 31.405 ( 10.505 0.000 -2.663) 10.838 31.490 ( -2.256 0.000 8.313) 8.613 31.998 ( 5.529 0.000 -19.389) 20.162 32.015 ( 2.066 0.000 -0.948) 2.273 32.149 ( 3.648 0.000 9.103) 9.806 32.209 ( -1.724 0.000 -2.418) 2.969 32.930 ( 4.688 0.000 -5.253) 7.041 33.879 ( 1.344 0.000 5.942) 6.092 34.011 ( -5.250 0.000 -4.205) 6.726 34.763 ( -0.081 0.000 7.418) 7.418 34.882 ( -6.043 0.000 7.289) 9.468 37.473 ( -2.310 0.000 -2.740) 3.584 37.659 ( 2.176 0.000 2.107) 3.029 38.996 ( -1.826 0.000 0.176) 1.834 39.049 ( 1.544 0.000 2.790) 3.189 40.621 ( 4.205 0.000 0.144) 4.208 40.756 ( -1.255 0.000 -2.991) 3.244 40.767 ( -1.604 0.000 -4.316) 4.605 40.848 ( -4.915 0.000 3.564) 6.071 42.015 ( -6.539 0.000 -1.887) 6.806 42.238 ( -0.917 0.000 0.871) 1.265 42.308 ( -1.641 0.000 1.189) 2.026 42.443 ( 0.858 0.000 7.949) 7.995 43.867 ( 9.203 0.000 0.016) 9.203 44.129 ( 15.025 0.000 -10.785) 18.495 44.398 ( -1.213 0.000 -0.115) 1.218 44.530 ( -0.184 0.000 1.515) 1.526 44.675 ( -2.772 0.000 0.009) 2.772 44.701 ( -0.335 0.000 -1.325) 1.367 44.735 ( 0.326 0.000 0.591) 0.675 44.877 ( -3.162 0.000 -0.979) 3.310 44.885 ( -1.214 0.000 0.162) 1.225 45.029 ( -1.393 0.000 -0.853) 1.634 46.413 ( -18.091 0.000 14.503) 23.186 46.629 ( -0.812 0.000 1.122) 1.386 46.938 ( 3.635 0.000 0.138) 3.638 47.355 ( -3.985 0.000 -0.542) 4.021 47.444 ( -8.861 0.000 -1.202) 8.942 47.775 ( -0.975 0.000 5.606) 5.690 47.946 ( 3.648 0.000 2.106) 4.212 48.079 ( -2.986 0.000 -3.150) 4.341 48.404 ( -0.643 0.000 -9.817) 9.838 48.582 ( 0.911 0.000 3.935) 4.039 49.601 ( 4.636 0.000 -0.669) 4.684 49.840 ( 1.420 0.000 3.668) 3.933 49.997 ( 7.387 0.000 -4.512) 8.656 50.481 ( -2.026 0.000 -0.616) 2.117 52.311 ( 3.789 0.000 0.030) 3.789 52.341 ( 6.984 0.000 -7.999) 10.619 52.661 ( 1.944 0.000 0.193) 1.954 52.769 ( 0.944 0.000 -0.991) 1.369 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 19.613 0.000 13.594) 23.864 1.888 ( 4.941 0.000 -4.225) 6.502 2.178 ( 8.189 0.000 14.167) 16.364 2.641 ( -13.280 0.000 -11.290) 17.430 2.696 ( -2.594 0.000 -1.997) 3.274 3.227 ( 8.031 0.000 -24.628) 25.904 3.289 ( -8.272 0.000 -6.491) 10.515 3.488 ( -5.828 0.000 -8.543) 10.342 3.633 ( 3.367 0.000 4.735) 5.810 3.895 ( -0.209 0.000 1.226) 1.244 3.950 ( -23.376 0.000 -0.037) 23.376 4.183 ( -0.101 0.000 15.526) 15.526 4.283 ( 23.771 0.000 19.294) 30.616 4.389 ( -9.997 0.000 2.005) 10.196 4.441 ( 18.446 0.000 8.926) 20.492 4.483 ( -8.456 0.000 5.317) 9.988 4.915 ( 10.465 0.000 19.798) 22.394 5.150 ( 3.979 0.000 -0.178) 3.983 5.208 ( 8.343 0.000 -5.236) 9.850 5.328 ( 3.897 0.000 -7.386) 8.351 5.432 ( -9.833 0.000 5.202) 11.124 5.544 ( 1.002 0.000 -0.578) 1.157 5.626 ( -0.569 0.000 -5.535) 5.564 5.752 ( -0.085 0.000 3.852) 3.853 5.988 ( -2.856 0.000 -5.029) 5.783 6.104 ( 0.826 0.000 -5.881) 5.939 6.139 ( -2.891 0.000 4.686) 5.506 6.483 ( -0.188 0.000 1.094) 1.110 6.681 ( -15.868 0.000 -13.131) 20.596 6.933 ( -8.208 0.000 -11.488) 14.119 7.018 ( 3.828 0.000 -8.203) 9.052 7.267 ( -2.255 0.000 -1.295) 2.600 7.324 ( 3.180 0.000 1.530) 3.529 7.496 ( 2.103 0.000 -1.872) 2.816 7.626 ( -8.902 0.000 -6.262) 10.884 7.669 ( -0.313 0.000 3.975) 3.987 7.846 ( 2.045 0.000 6.311) 6.634 8.012 ( -0.415 0.000 0.689) 0.804 8.029 ( -4.788 0.000 -6.225) 7.854 8.062 ( -5.819 0.000 -5.566) 8.052 8.374 ( 5.177 0.000 4.689) 6.985 8.581 ( -0.066 0.000 5.970) 5.970 9.034 ( 3.734 0.000 0.821) 3.823 9.063 ( -0.591 0.000 4.586) 4.624 9.199 ( 11.377 0.000 -3.726) 11.972 9.399 ( -3.391 0.000 3.140) 4.621 9.785 ( 4.505 0.000 -0.975) 4.609 10.147 ( 1.172 0.000 1.677) 2.046 12.325 ( -2.213 0.000 -6.628) 6.987 12.769 ( 16.757 0.000 0.806) 16.776 13.183 ( -9.358 0.000 5.623) 10.917 13.611 ( -1.411 0.000 -0.221) 1.428 13.750 ( -6.089 0.000 2.874) 6.733 13.912 ( 13.350 0.000 24.247) 27.679 14.611 ( 3.847 0.000 5.145) 6.424 14.943 ( -10.334 0.000 -9.848) 14.275 15.972 ( 0.697 0.000 -9.798) 9.823 16.349 ( -5.411 0.000 -16.145) 17.028 16.635 ( -4.280 0.000 -8.992) 9.958 16.708 ( -0.483 0.000 -1.848) 1.910 17.469 ( 6.678 0.000 2.731) 7.215 18.269 ( 6.808 0.000 1.218) 6.916 18.346 ( -9.584 0.000 -7.942) 12.447 18.472 ( -2.215 0.000 4.673) 5.172 18.478 ( 2.914 0.000 4.483) 5.347 18.766 ( -1.516 0.000 1.925) 2.451 18.938 ( 1.836 0.000 3.711) 4.141 18.977 ( -12.603 0.000 -1.953) 12.753 20.016 ( 9.756 0.000 5.630) 11.264 20.198 ( 3.375 0.000 21.514) 21.777 20.685 ( 4.985 0.000 -15.954) 16.714 21.040 ( -3.355 0.000 -4.305) 5.458 21.419 ( -12.210 0.000 -4.010) 12.851 21.575 ( 5.616 0.000 -8.845) 10.478 21.789 ( 18.719 0.000 6.792) 19.913 21.885 ( 4.449 0.000 -0.797) 4.519 22.195 ( -0.112 0.000 2.034) 2.037 22.403 ( 5.092 0.000 -9.681) 10.938 22.560 ( 0.902 0.000 -2.920) 3.056 22.716 ( -1.325 0.000 -2.168) 2.541 22.999 ( 2.960 0.000 -3.252) 4.398 23.082 ( 2.064 0.000 1.001) 2.294 23.220 ( 0.394 0.000 2.610) 2.640 23.333 ( -5.397 0.000 1.102) 5.509 23.433 ( 5.602 0.000 5.343) 7.741 24.116 ( -2.869 0.000 -3.205) 4.302 24.578 ( 1.026 0.000 -1.601) 1.902 24.727 ( 1.385 0.000 -0.874) 1.637 25.764 ( -2.550 0.000 -0.212) 2.559 26.020 ( 3.742 0.000 4.893) 6.160 26.214 ( -1.052 0.000 -1.905) 2.176 26.376 ( -3.694 0.000 -2.475) 4.446 26.519 ( 0.823 0.000 0.186) 0.844 26.591 ( 0.564 0.000 0.558) 0.793 27.131 ( -4.239 0.000 6.695) 7.924 27.233 ( -5.265 0.000 16.489) 17.309 27.419 ( -6.405 0.000 -2.055) 6.727 27.574 ( 3.334 0.000 7.365) 8.084 27.992 ( -2.263 0.000 -1.499) 2.714 28.132 ( -1.252 0.000 2.192) 2.525 28.424 ( -2.456 0.000 0.263) 2.471 28.505 ( -3.296 0.000 9.183) 9.757 28.691 ( 2.888 0.000 0.329) 2.907 28.787 ( -9.573 0.000 -9.743) 13.659 29.092 ( -1.751 0.000 4.824) 5.132 29.283 ( 3.623 0.000 -5.080) 6.239 29.331 ( -1.181 0.000 -14.508) 14.556 29.429 ( 1.584 0.000 4.251) 4.536 29.702 ( 0.182 0.000 -10.253) 10.255 29.839 ( -3.780 0.000 -5.446) 6.629 30.200 ( 4.029 0.000 2.516) 4.750 30.297 ( -3.221 0.000 -0.077) 3.222 30.400 ( -1.651 0.000 -5.485) 5.728 30.722 ( 5.624 0.000 -0.421) 5.640 30.790 ( 1.303 0.000 -0.237) 1.324 30.868 ( 8.509 0.000 8.036) 11.704 31.152 ( 1.181 0.000 2.709) 2.955 31.491 ( 4.090 0.000 -1.882) 4.502 31.567 ( -0.867 0.000 5.887) 5.951 31.859 ( 3.466 0.000 -11.702) 12.204 32.006 ( -0.652 0.000 -0.422) 0.776 32.134 ( -4.048 0.000 -2.025) 4.527 32.359 ( 5.598 0.000 10.110) 11.556 32.904 ( 2.298 0.000 -7.582) 7.922 33.891 ( -3.673 0.000 -3.246) 4.902 33.946 ( -0.149 0.000 3.429) 3.432 34.854 ( 0.330 0.000 6.029) 6.038 34.878 ( -2.677 0.000 2.939) 3.976 37.412 ( -1.584 0.000 -1.868) 2.450 37.714 ( 1.639 0.000 1.563) 2.265 38.973 ( -1.106 0.000 -0.161) 1.117 39.100 ( 0.998 0.000 1.958) 2.197 40.689 ( 4.743 0.000 -0.312) 4.753 40.692 ( -1.368 0.000 -3.087) 3.376 40.700 ( -1.305 0.000 -2.643) 2.948 40.809 ( -4.115 0.000 1.345) 4.329 41.912 ( -4.092 0.000 -1.092) 4.235 42.239 ( -0.168 0.000 0.590) 0.614 42.293 ( -1.421 0.000 0.574) 1.533 42.551 ( 0.939 0.000 6.108) 6.180 44.009 ( 8.280 0.000 0.447) 8.292 44.220 ( 9.083 0.000 -5.153) 10.443 44.365 ( -2.258 0.000 -0.892) 2.428 44.544 ( -0.229 0.000 1.120) 1.143 44.633 ( -2.844 0.000 0.478) 2.884 44.680 ( -0.338 0.000 -0.873) 0.936 44.747 ( 0.618 0.000 0.033) 0.619 44.797 ( -2.933 0.000 -1.895) 3.492 44.891 ( -0.673 0.000 1.368) 1.524 45.002 ( -0.983 0.000 -0.444) 1.079 46.323 ( -8.786 0.000 4.989) 10.104 46.636 ( -0.249 0.000 1.073) 1.102 47.012 ( 5.860 0.000 0.189) 5.864 47.289 ( -9.336 0.000 -0.938) 9.383 47.290 ( -2.934 0.000 -0.816) 3.046 47.840 ( -0.983 0.000 7.091) 7.159 47.996 ( -0.998 0.000 -5.104) 5.201 48.033 ( 3.130 0.000 3.525) 4.714 48.273 ( -2.815 0.000 -6.688) 7.256 48.628 ( -0.563 0.000 2.867) 2.922 49.656 ( 3.097 0.000 -0.371) 3.119 49.914 ( 2.550 0.000 3.115) 4.025 50.032 ( 3.603 0.000 -3.976) 5.365 50.444 ( -1.379 0.000 -0.799) 1.594 52.349 ( 2.911 0.000 -3.080) 4.238 52.375 ( 3.514 0.000 0.575) 3.560 52.689 ( 1.307 0.000 0.141) 1.315 52.767 ( 0.421 0.000 -1.042) 1.124 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.369 ( -0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 -0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 -0.000) 0.000 5.255 ( -0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 -0.000) 0.000 5.345 ( -0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 -0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 -0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 7.970 ( -0.000 0.000 -0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 9.070 ( -0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 -0.000) 0.000 9.289 ( 0.000 0.000 -0.000) 0.000 9.369 ( -0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 10.167 ( 0.000 0.000 0.000) 0.000 12.266 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.103 ( -0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 15.918 ( 0.000 0.000 0.000) 0.000 16.194 ( 0.000 0.000 0.000) 0.000 16.546 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 18.178 ( 0.000 0.000 0.000) 0.000 18.333 ( 0.000 0.000 0.000) 0.000 18.470 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 18.770 ( 0.000 0.000 0.000) 0.000 18.834 ( 0.000 0.000 0.000) 0.000 18.984 ( 0.000 0.000 0.000) 0.000 20.133 ( 0.000 0.000 0.000) 0.000 20.475 ( -0.000 0.000 0.000) 0.000 20.532 ( 0.000 0.000 -0.000) 0.000 20.987 ( 0.000 0.000 0.000) 0.000 21.265 ( 0.000 0.000 0.000) 0.000 21.562 ( 0.000 0.000 0.000) 0.000 21.914 ( 0.000 0.000 0.000) 0.000 22.003 ( 0.000 0.000 0.000) 0.000 22.202 ( 0.000 0.000 0.000) 0.000 22.388 ( 0.000 0.000 0.000) 0.000 22.547 ( 0.000 0.000 0.000) 0.000 22.699 ( 0.000 0.000 0.000) 0.000 22.998 ( 0.000 0.000 0.000) 0.000 23.071 ( 0.000 0.000 0.000) 0.000 23.254 ( 0.000 0.000 0.000) 0.000 23.296 ( 0.000 0.000 0.000) 0.000 23.521 ( 0.000 0.000 -0.000) 0.000 24.066 ( 0.000 0.000 0.000) 0.000 24.576 ( 0.000 0.000 0.000) 0.000 24.736 ( 0.000 0.000 0.000) 0.000 25.743 ( 0.000 0.000 0.000) 0.000 26.096 ( 0.000 0.000 0.000) 0.000 26.192 ( 0.000 0.000 0.000) 0.000 26.316 ( 0.000 0.000 0.000) 0.000 26.527 ( 0.000 0.000 0.000) 0.000 26.598 ( 0.000 0.000 0.000) 0.000 27.151 ( 0.000 0.000 0.000) 0.000 27.303 ( 0.000 0.000 0.000) 0.000 27.351 ( 0.000 0.000 0.000) 0.000 27.647 ( 0.000 0.000 -0.000) 0.000 27.963 ( 0.000 0.000 0.000) 0.000 28.135 ( 0.000 0.000 0.000) 0.000 28.425 ( 0.000 0.000 0.000) 0.000 28.543 ( 0.000 0.000 -0.000) 0.000 28.624 ( 0.000 0.000 0.000) 0.000 28.703 ( 0.000 0.000 0.000) 0.000 29.165 ( 0.000 0.000 0.000) 0.000 29.169 ( -0.000 0.000 -0.000) 0.000 29.283 ( 0.000 0.000 0.000) 0.000 29.523 ( 0.000 0.000 0.000) 0.000 29.593 ( 0.000 0.000 -0.000) 0.000 29.767 ( 0.000 0.000 0.000) 0.000 30.244 ( 0.000 0.000 0.000) 0.000 30.272 ( 0.000 0.000 -0.000) 0.000 30.353 ( 0.000 0.000 0.000) 0.000 30.765 ( 0.000 0.000 0.000) 0.000 30.803 ( 0.000 0.000 0.000) 0.000 31.002 ( 0.000 0.000 -0.000) 0.000 31.178 ( 0.000 0.000 0.000) 0.000 31.502 ( 0.000 0.000 0.000) 0.000 31.578 ( 0.000 0.000 0.000) 0.000 31.837 ( 0.000 0.000 0.000) 0.000 31.998 ( 0.000 0.000 0.000) 0.000 32.075 ( 0.000 0.000 -0.000) 0.000 32.489 ( 0.000 0.000 0.000) 0.000 32.855 ( 0.000 0.000 0.000) 0.000 33.840 ( 0.000 0.000 0.000) 0.000 33.965 ( 0.000 0.000 0.000) 0.000 34.875 ( 0.000 0.000 0.000) 0.000 34.898 ( 0.000 0.000 0.000) 0.000 37.387 ( 0.000 0.000 0.000) 0.000 37.737 ( 0.000 0.000 0.000) 0.000 38.963 ( 0.000 0.000 0.000) 0.000 39.121 ( 0.000 0.000 0.000) 0.000 40.660 ( 0.000 0.000 0.000) 0.000 40.671 ( -0.000 0.000 0.000) 0.000 40.749 ( 0.000 0.000 0.000) 0.000 40.761 ( -0.000 0.000 0.000) 0.000 41.873 ( 0.000 0.000 0.000) 0.000 42.242 ( 0.000 0.000 0.000) 0.000 42.285 ( 0.000 0.000 0.000) 0.000 42.599 ( 0.000 0.000 0.000) 0.000 44.090 ( 0.000 0.000 0.000) 0.000 44.261 ( 0.000 0.000 0.000) 0.000 44.330 ( 0.000 0.000 0.000) 0.000 44.549 ( 0.000 0.000 0.000) 0.000 44.612 ( 0.000 0.000 0.000) 0.000 44.672 ( 0.000 0.000 0.000) 0.000 44.752 ( 0.000 0.000 0.000) 0.000 44.760 ( 0.000 0.000 0.000) 0.000 44.895 ( 0.000 0.000 0.000) 0.000 44.992 ( 0.000 0.000 0.000) 0.000 46.284 ( 0.000 0.000 0.000) 0.000 46.642 ( 0.000 0.000 0.000) 0.000 47.097 ( -0.000 0.000 0.000) 0.000 47.171 ( 0.000 0.000 0.000) 0.000 47.261 ( 0.000 0.000 0.000) 0.000 47.903 ( 0.000 0.000 0.000) 0.000 47.932 ( 0.000 0.000 -0.000) 0.000 48.107 ( -0.000 0.000 -0.000) 0.000 48.181 ( 0.000 0.000 0.000) 0.000 48.640 ( 0.000 0.000 0.000) 0.000 49.679 ( 0.000 0.000 0.000) 0.000 49.969 ( 0.000 0.000 0.000) 0.000 50.021 ( 0.000 0.000 0.000) 0.000 50.428 ( 0.000 0.000 0.000) 0.000 52.352 ( 0.000 0.000 0.000) 0.000 52.410 ( 0.000 0.000 0.000) 0.000 52.701 ( 0.000 0.000 0.000) 0.000 52.762 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 27.197 0.000) 27.197 0.730 ( 0.000 34.048 0.000) 34.048 1.478 ( 0.000 66.928 0.000) 66.928 2.941 ( 0.000 -2.826 0.000) 2.826 2.971 ( 0.000 18.886 0.000) 18.886 3.228 ( 0.000 18.945 0.000) 18.945 3.329 ( 0.000 -8.005 0.000) 8.005 3.349 ( 0.000 18.480 0.000) 18.480 3.686 ( 0.000 9.816 0.000) 9.816 3.908 ( 0.000 6.768 0.000) 6.768 4.017 ( 0.000 1.491 0.000) 1.491 4.227 ( 0.000 2.771 0.000) 2.771 4.497 ( 0.000 -1.828 0.000) 1.828 4.545 ( 0.000 3.371 0.000) 3.371 4.634 ( 0.000 -1.289 0.000) 1.289 4.810 ( 0.000 3.627 0.000) 3.627 4.992 ( 0.000 3.853 0.000) 3.853 5.067 ( 0.000 0.068 0.000) 0.068 5.159 ( 0.000 -1.122 0.000) 1.122 5.317 ( 0.000 1.589 0.000) 1.589 5.343 ( 0.000 -3.067 0.000) 3.067 5.484 ( 0.000 0.097 0.000) 0.097 5.595 ( 0.000 -3.299 0.000) 3.299 5.767 ( 0.000 -1.087 0.000) 1.087 6.120 ( 0.000 -12.483 0.000) 12.483 6.182 ( 0.000 -10.759 0.000) 10.759 6.399 ( 0.000 2.765 0.000) 2.765 6.761 ( 0.000 1.998 0.000) 1.998 6.995 ( 0.000 -0.284 0.000) 0.284 7.097 ( 0.000 -1.343 0.000) 1.343 7.140 ( 0.000 -3.084 0.000) 3.084 7.222 ( 0.000 -1.311 0.000) 1.311 7.409 ( 0.000 -5.133 0.000) 5.133 7.435 ( 0.000 -5.526 0.000) 5.526 7.492 ( 0.000 -1.120 0.000) 1.120 7.717 ( 0.000 -1.434 0.000) 1.434 7.718 ( 0.000 -4.610 0.000) 4.610 7.947 ( 0.000 -3.429 0.000) 3.429 7.966 ( 0.000 1.528 0.000) 1.528 8.318 ( 0.000 -1.334 0.000) 1.334 8.384 ( 0.000 0.481 0.000) 0.481 8.508 ( 0.000 1.281 0.000) 1.281 8.733 ( 0.000 -5.789 0.000) 5.789 8.853 ( 0.000 -0.481 0.000) 0.481 9.144 ( 0.000 13.015 0.000) 13.015 9.330 ( 0.000 5.066 0.000) 5.066 9.593 ( 0.000 3.402 0.000) 3.402 10.054 ( 0.000 0.183 0.000) 0.183 12.163 ( 0.000 8.220 0.000) 8.220 12.843 ( 0.000 1.367 0.000) 1.367 12.905 ( 0.000 5.561 0.000) 5.561 13.320 ( 0.000 10.702 0.000) 10.702 13.491 ( 0.000 -1.484 0.000) 1.484 13.943 ( 0.000 -4.671 0.000) 4.671 14.542 ( 0.000 -7.989 0.000) 7.989 15.297 ( 0.000 -4.138 0.000) 4.138 16.405 ( 0.000 5.486 0.000) 5.486 16.702 ( 0.000 4.530 0.000) 4.530 16.815 ( 0.000 -4.164 0.000) 4.164 17.359 ( 0.000 -0.215 0.000) 0.215 17.640 ( 0.000 -8.167 0.000) 8.167 17.826 ( 0.000 -4.138 0.000) 4.138 18.178 ( 0.000 -0.823 0.000) 0.823 18.312 ( 0.000 6.692 0.000) 6.692 18.511 ( 0.000 -12.194 0.000) 12.194 18.815 ( 0.000 -8.346 0.000) 8.346 19.115 ( 0.000 -7.413 0.000) 7.413 19.145 ( 0.000 7.994 0.000) 7.994 19.794 ( 0.000 14.458 0.000) 14.458 20.030 ( 0.000 5.415 0.000) 5.415 20.749 ( 0.000 4.100 0.000) 4.100 20.818 ( 0.000 -1.361 0.000) 1.361 21.069 ( 0.000 -0.669 0.000) 0.669 21.274 ( 0.000 -19.001 0.000) 19.001 21.623 ( 0.000 -2.173 0.000) 2.173 21.936 ( 0.000 2.931 0.000) 2.931 22.035 ( 0.000 -4.970 0.000) 4.970 22.342 ( 0.000 10.190 0.000) 10.190 22.588 ( 0.000 7.035 0.000) 7.035 22.629 ( 0.000 -11.515 0.000) 11.515 22.880 ( 0.000 -5.892 0.000) 5.892 23.011 ( 0.000 -1.749 0.000) 1.749 23.450 ( 0.000 25.914 0.000) 25.914 23.617 ( 0.000 8.914 0.000) 8.914 23.733 ( 0.000 15.469 0.000) 15.469 24.516 ( 0.000 -3.809 0.000) 3.809 24.798 ( 0.000 -0.860 0.000) 0.860 25.155 ( 0.000 -1.009 0.000) 1.009 25.580 ( 0.000 1.729 0.000) 1.729 25.784 ( 0.000 -1.342 0.000) 1.342 26.003 ( 0.000 3.550 0.000) 3.550 26.450 ( 0.000 -6.529 0.000) 6.529 26.598 ( 0.000 7.712 0.000) 7.712 26.627 ( 0.000 0.569 0.000) 0.569 26.951 ( 0.000 -6.128 0.000) 6.128 27.226 ( 0.000 5.366 0.000) 5.366 27.482 ( 0.000 -0.485 0.000) 0.485 27.832 ( 0.000 1.250 0.000) 1.250 27.858 ( 0.000 -2.086 0.000) 2.086 28.140 ( 0.000 -6.591 0.000) 6.591 28.165 ( 0.000 2.761 0.000) 2.761 28.487 ( 0.000 3.411 0.000) 3.411 28.582 ( 0.000 -4.113 0.000) 4.113 29.012 ( 0.000 1.073 0.000) 1.073 29.056 ( 0.000 0.162 0.000) 0.162 29.357 ( 0.000 -3.535 0.000) 3.535 29.389 ( 0.000 -1.552 0.000) 1.552 29.638 ( 0.000 2.226 0.000) 2.226 29.794 ( 0.000 -2.531 0.000) 2.531 29.804 ( 0.000 -1.634 0.000) 1.634 29.938 ( 0.000 1.998 0.000) 1.998 30.328 ( 0.000 6.891 0.000) 6.891 30.341 ( 0.000 3.459 0.000) 3.459 30.510 ( 0.000 -1.447 0.000) 1.447 30.550 ( 0.000 -2.854 0.000) 2.854 30.782 ( 0.000 -2.415 0.000) 2.415 30.948 ( 0.000 4.943 0.000) 4.943 30.975 ( 0.000 -1.119 0.000) 1.119 31.357 ( 0.000 0.215 0.000) 0.215 31.459 ( 0.000 3.217 0.000) 3.217 31.869 ( 0.000 -5.292 0.000) 5.292 32.150 ( 0.000 3.321 0.000) 3.321 32.160 ( 0.000 -6.695 0.000) 6.695 32.833 ( 0.000 -5.052 0.000) 5.052 33.743 ( 0.000 1.643 0.000) 1.643 34.189 ( 0.000 1.061 0.000) 1.061 34.586 ( 0.000 -7.075 0.000) 7.075 34.622 ( 0.000 -3.928 0.000) 3.928 37.841 ( 0.000 22.850 0.000) 22.850 38.872 ( 0.000 13.051 0.000) 13.051 39.111 ( 0.000 12.702 0.000) 12.702 39.123 ( 0.000 11.109 0.000) 11.109 40.521 ( 0.000 -1.779 0.000) 1.779 40.569 ( 0.000 0.648 0.000) 0.648 40.818 ( 0.000 1.104 0.000) 1.104 41.056 ( 0.000 1.133 0.000) 1.133 42.066 ( 0.000 -9.906 0.000) 9.906 42.215 ( 0.000 -5.679 0.000) 5.679 42.263 ( 0.000 0.212 0.000) 0.212 42.327 ( 0.000 -3.701 0.000) 3.701 43.664 ( 0.000 -0.954 0.000) 0.954 43.711 ( 0.000 1.180 0.000) 1.180 44.468 ( 0.000 -5.772 0.000) 5.772 44.503 ( 0.000 -11.245 0.000) 11.245 44.830 ( 0.000 11.040 0.000) 11.040 44.844 ( 0.000 4.228 0.000) 4.228 44.990 ( 0.000 10.493 0.000) 10.493 45.016 ( 0.000 10.560 0.000) 10.560 45.300 ( 0.000 15.446 0.000) 15.446 45.957 ( 0.000 0.078 0.000) 0.078 46.629 ( 0.000 -0.552 0.000) 0.552 46.862 ( 0.000 -1.952 0.000) 1.952 46.931 ( 0.000 -4.919 0.000) 4.919 47.371 ( 0.000 -5.914 0.000) 5.914 47.702 ( 0.000 4.657 0.000) 4.657 47.710 ( 0.000 -1.105 0.000) 1.105 47.740 ( 0.000 -7.760 0.000) 7.760 48.173 ( 0.000 -1.468 0.000) 1.468 48.202 ( 0.000 -0.869 0.000) 0.869 48.429 ( 0.000 -4.868 0.000) 4.868 49.513 ( 0.000 -0.228 0.000) 0.228 49.744 ( 0.000 -1.250 0.000) 1.250 49.834 ( 0.000 -4.245 0.000) 4.245 49.925 ( 0.000 -0.440 0.000) 0.440 52.110 ( 0.000 3.591 0.000) 3.591 52.289 ( 0.000 3.123 0.000) 3.123 52.599 ( 0.000 -1.800 0.000) 1.800 52.755 ( 0.000 -1.855 0.000) 1.855 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 14.434 23.922 22.078) 35.609 1.299 ( 22.270 29.513 24.384) 44.289 1.844 ( 37.943 40.502 27.118) 61.769 2.888 ( -3.944 23.322 -7.800) 24.906 3.125 ( 8.207 1.960 3.380) 9.089 3.151 ( 1.832 12.878 -3.628) 13.505 3.316 ( -2.118 18.040 -1.099) 18.197 3.397 ( 2.485 -5.879 10.843) 12.582 3.783 ( -1.435 4.461 11.618) 12.527 3.911 ( 1.624 6.362 2.079) 6.887 4.029 ( -4.913 2.446 -11.956) 13.155 4.045 ( -1.998 1.693 -5.123) 5.754 4.238 ( -15.936 0.560 -22.483) 27.563 4.495 ( 0.573 -0.106 -2.482) 2.550 4.526 ( -4.368 4.614 3.695) 7.350 4.734 ( -12.130 3.930 2.923) 13.081 4.937 ( -12.958 1.956 -2.396) 13.322 5.075 ( 5.310 0.627 1.044) 5.448 5.231 ( -0.444 -0.048 -2.110) 2.156 5.295 ( 2.038 -0.198 3.513) 4.066 5.458 ( 2.442 -2.835 1.762) 4.136 5.512 ( -2.449 0.811 0.858) 2.719 5.577 ( 8.521 1.174 4.445) 9.682 5.743 ( -4.632 -1.667 2.141) 5.368 6.079 ( 0.602 -9.935 -5.791) 11.516 6.168 ( -5.213 -4.898 -3.908) 8.151 6.267 ( -4.168 -4.157 -2.563) 6.420 6.654 ( -7.625 0.924 -8.070) 11.141 7.041 ( 6.699 0.842 -3.243) 7.490 7.142 ( 1.406 -3.169 -0.297) 3.480 7.154 ( -0.529 -3.155 -0.463) 3.232 7.208 ( 2.615 0.204 3.143) 4.093 7.349 ( -1.973 -5.437 -0.322) 5.793 7.429 ( -1.170 -1.115 -8.191) 8.349 7.541 ( 7.251 -3.602 0.021) 8.097 7.670 ( -5.718 -4.299 2.391) 7.543 7.848 ( 2.844 -11.258 -0.154) 11.613 7.968 ( 0.966 -4.958 -0.326) 5.061 8.032 ( 4.299 1.218 4.205) 6.136 8.337 ( -1.550 -1.566 2.523) 3.350 8.387 ( -4.391 -1.785 3.768) 6.055 8.455 ( -2.942 1.391 -3.937) 5.108 8.786 ( 2.779 -5.344 3.166) 6.805 8.864 ( -0.574 -0.773 4.860) 4.955 9.170 ( 4.773 12.261 -1.681) 13.264 9.369 ( 2.471 5.264 2.400) 6.291 9.642 ( 5.165 3.241 0.746) 6.143 10.066 ( 0.820 0.188 1.084) 1.372 12.274 ( 9.923 8.083 4.954) 13.724 12.710 ( -2.655 2.240 -11.404) 11.921 13.036 ( 6.879 8.131 7.815) 13.210 13.430 ( -1.346 4.571 12.977) 13.824 13.487 ( -2.863 0.714 6.228) 6.892 13.908 ( -3.385 -5.177 -2.044) 6.515 14.513 ( 1.711 -6.471 -5.526) 8.680 15.143 ( -8.445 1.378 -1.281) 8.652 16.227 ( -4.133 4.324 -10.006) 11.657 16.776 ( -0.312 -3.236 -4.942) 5.915 16.891 ( 6.378 1.891 -1.498) 6.819 17.268 ( -5.762 2.379 -8.636) 10.651 17.643 ( -4.443 3.819 -15.220) 16.309 17.778 ( 12.064 -14.396 1.041) 18.812 18.189 ( -4.577 -3.727 8.853) 10.640 18.357 ( -0.027 4.981 6.018) 7.812 18.481 ( -1.720 -11.664 -0.196) 11.792 18.717 ( -3.959 -5.592 -4.823) 8.379 19.150 ( -5.724 5.550 10.967) 13.559 19.193 ( -3.774 -4.815 7.158) 9.416 19.755 ( 0.528 14.509 -0.929) 14.548 19.894 ( 0.530 13.079 -4.794) 13.940 20.796 ( 0.812 -2.362 -4.353) 5.019 20.926 ( 15.101 1.471 5.542) 16.153 21.191 ( 0.864 -19.522 -7.805) 21.042 21.307 ( 13.908 -9.164 -5.910) 17.673 21.692 ( 8.348 0.964 -2.485) 8.764 21.871 ( -4.900 2.433 -1.727) 5.737 22.130 ( 15.127 -15.117 -8.048) 22.850 22.379 ( 1.201 7.633 4.589) 8.987 22.564 ( -1.613 8.114 -0.541) 8.291 22.689 ( 2.497 -8.924 2.010) 9.482 22.880 ( 0.731 -7.190 0.336) 7.234 22.996 ( -0.715 1.761 -0.907) 2.107 23.368 ( -5.830 20.742 -5.808) 22.314 23.606 ( 13.367 24.092 -14.029) 30.918 23.718 ( -1.914 14.260 0.973) 14.420 24.444 ( -3.316 6.349 -9.621) 11.995 24.631 ( -2.308 9.146 -13.429) 16.411 24.771 ( -0.768 -0.887 -2.958) 3.182 25.802 ( 1.025 -2.130 3.897) 4.558 25.886 ( -2.876 -0.631 4.937) 5.748 26.125 ( 4.084 -5.430 10.582) 12.576 26.431 ( -0.129 -5.427 -2.540) 5.993 26.561 ( 0.021 2.383 -2.035) 3.134 26.603 ( -1.335 7.173 -1.247) 7.402 27.026 ( 2.593 -5.153 4.933) 7.590 27.172 ( -31.171 8.056 39.048) 50.609 27.291 ( -9.330 3.894 3.059) 10.563 27.779 ( -5.830 2.482 -1.408) 6.491 27.994 ( -4.723 -10.516 7.303) 13.646 28.094 ( -3.929 -5.406 -0.296) 6.689 28.278 ( 4.827 0.199 7.347) 8.793 28.519 ( -1.615 3.655 3.318) 5.194 28.635 ( -2.011 -0.894 0.835) 2.354 29.001 ( 1.546 0.032 -1.106) 1.901 29.297 ( 4.682 -5.908 -6.596) 10.017 29.372 ( 3.641 -2.408 -4.982) 6.624 29.473 ( 1.148 -2.940 -8.708) 9.262 29.612 ( 15.950 -12.178 -4.395) 20.543 29.795 ( -11.185 2.556 -5.571) 12.755 29.910 ( 4.063 0.732 4.106) 5.822 30.028 ( 12.798 -4.330 1.434) 13.587 30.328 ( 9.003 -2.829 4.368) 10.399 30.378 ( 6.309 1.236 0.613) 6.458 30.475 ( -0.449 0.662 -4.005) 4.085 30.701 ( -3.145 -1.420 -3.128) 4.657 30.866 ( 0.754 -1.355 1.908) 2.459 30.949 ( 6.612 -5.583 1.637) 8.808 31.088 ( 20.785 -10.793 2.497) 23.553 31.401 ( -0.219 -3.156 6.891) 7.583 31.476 ( 3.841 -2.629 0.264) 4.663 31.934 ( 5.720 -5.682 1.795) 8.260 32.123 ( -2.125 -2.256 -0.028) 3.100 32.168 ( -2.001 -0.589 2.236) 3.058 32.843 ( 2.247 -5.587 -1.451) 6.194 33.791 ( 1.939 1.365 4.571) 5.149 34.142 ( -3.623 1.221 -2.702) 4.682 34.605 ( -0.452 -7.730 3.195) 8.376 34.665 ( -0.761 -8.069 6.447) 10.356 37.867 ( 1.921 23.293 1.806) 23.442 38.400 ( -19.824 38.509 -20.603) 47.962 39.125 ( 0.362 12.145 1.280) 12.218 39.165 ( -1.034 12.030 3.045) 12.452 40.536 ( 1.830 -2.054 0.346) 2.773 40.661 ( 3.061 -5.017 3.752) 6.973 40.808 ( -0.697 1.070 -1.058) 1.658 40.996 ( -4.776 3.350 -1.351) 5.988 42.044 ( -2.544 -7.730 -1.269) 8.236 42.207 ( -1.125 -3.728 0.930) 4.004 42.274 ( 0.192 -2.888 1.579) 3.297 42.322 ( -1.649 -3.586 2.577) 4.714 43.738 ( 6.531 -1.404 -0.505) 6.699 43.777 ( 9.722 -4.579 -0.543) 10.760 44.465 ( -1.085 -6.550 0.662) 6.672 44.483 ( -2.406 -11.057 -0.360) 11.321 44.823 ( -1.037 8.714 0.550) 8.793 44.855 ( 1.573 7.927 -0.768) 8.118 44.928 ( -4.085 10.064 -3.126) 11.302 45.032 ( -1.018 11.995 0.727) 12.060 45.227 ( -7.166 20.432 -6.868) 22.716 45.479 ( -4.840 29.532 -28.665) 41.439 46.558 ( -37.043 3.925 28.367) 46.821 46.620 ( -1.688 -1.058 0.793) 2.144 46.897 ( 1.148 0.113 0.731) 1.366 47.353 ( -2.223 -5.490 -0.178) 5.926 47.576 ( -6.631 0.331 -2.555) 7.114 47.716 ( -0.819 -2.040 2.594) 3.400 47.791 ( 3.258 -6.675 1.808) 7.645 48.143 ( -2.887 -1.256 -1.759) 3.606 48.373 ( 9.602 -9.924 -10.646) 17.436 48.465 ( 2.368 -4.728 2.603) 5.894 49.540 ( 3.614 -0.114 -0.445) 3.643 49.771 ( 0.607 -1.067 3.217) 3.443 49.918 ( 5.822 -2.058 -3.118) 6.917 50.200 ( 11.617 -17.160 8.756) 22.497 52.224 ( 11.407 -1.932 -3.596) 12.115 52.306 ( 3.040 2.730 -0.991) 4.204 52.613 ( 1.383 -1.744 0.312) 2.247 52.753 ( 0.569 -1.569 -0.827) 1.863 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 15.461 18.036 25.139) 34.588 1.739 ( 18.183 39.470 9.629) 44.511 2.646 ( -5.170 29.008 -8.772) 30.743 2.876 ( 14.396 14.862 13.124) 24.502 3.113 ( 1.992 16.340 0.273) 16.463 3.210 ( 12.174 10.741 10.874) 19.540 3.370 ( 3.686 3.430 7.160) 8.753 3.560 ( -4.574 -0.292 -24.674) 25.096 3.691 ( 9.231 1.027 5.409) 10.748 3.772 ( -10.667 0.311 -16.229) 19.424 3.917 ( -0.576 -1.563 2.119) 2.696 4.066 ( 2.377 5.346 8.572) 10.379 4.098 ( 9.323 0.344 9.551) 13.352 4.386 ( -17.430 4.733 1.347) 18.111 4.505 ( -4.457 1.628 2.123) 5.199 4.593 ( -9.107 1.052 5.395) 10.638 4.729 ( -8.664 4.081 1.772) 9.740 5.127 ( -1.473 -1.065 1.635) 2.445 5.192 ( 5.626 1.200 -5.680) 8.084 5.354 ( 4.332 -0.078 -5.864) 7.291 5.439 ( -3.278 -2.945 3.195) 5.443 5.551 ( 1.408 1.620 3.009) 3.696 5.693 ( -5.708 -3.474 3.889) 7.731 5.733 ( 1.915 3.282 0.350) 3.816 6.002 ( -1.355 -4.918 -5.176) 7.268 6.044 ( 2.563 -1.779 -3.400) 4.615 6.213 ( -5.789 -10.099 -2.139) 11.835 6.437 ( -7.438 -1.788 -1.741) 7.846 6.987 ( -8.831 -3.526 -9.198) 13.230 7.078 ( 7.842 1.775 -10.517) 13.238 7.141 ( -1.908 -1.794 -4.848) 5.510 7.258 ( -1.754 -3.688 -0.337) 4.097 7.287 ( -0.581 -2.934 -7.509) 8.083 7.421 ( 4.996 -1.736 3.569) 6.380 7.622 ( -0.228 -1.620 2.503) 2.990 7.671 ( 2.536 -5.668 4.151) 7.469 7.760 ( -6.500 -7.794 -5.732) 11.656 7.964 ( -0.427 -3.930 0.686) 4.012 8.172 ( 1.644 -0.828 1.754) 2.542 8.233 ( -6.108 -1.311 -7.250) 9.570 8.264 ( -4.365 1.693 -1.178) 4.828 8.485 ( -0.787 0.011 9.262) 9.295 8.875 ( 6.626 -4.104 -0.216) 7.797 8.949 ( -0.857 -1.972 8.486) 8.754 9.244 ( 7.905 10.961 -2.456) 13.735 9.438 ( 1.532 5.428 2.933) 6.357 9.741 ( 6.399 3.105 -0.113) 7.114 10.105 ( 1.492 0.221 2.018) 2.520 12.522 ( -2.069 3.761 -9.319) 10.260 12.549 ( 14.955 7.166 3.680) 16.987 13.239 ( 1.072 7.530 6.932) 10.291 13.506 ( 2.322 -2.515 13.439) 13.868 13.639 ( -1.858 5.794 13.875) 15.150 13.809 ( -4.965 -3.262 -1.562) 6.143 14.505 ( 4.890 -2.817 -1.909) 5.958 15.056 ( -6.161 -2.934 1.942) 7.094 16.024 ( -1.268 -3.985 -15.980) 16.518 16.658 ( -2.781 -2.870 -15.134) 15.653 16.834 ( -4.390 7.511 -3.610) 9.419 17.001 ( -8.328 6.829 -13.522) 17.287 17.449 ( 0.789 3.163 -7.624) 8.292 18.003 ( 12.783 -10.397 2.786) 16.712 18.262 ( -2.898 -6.356 11.359) 13.336 18.363 ( -8.461 -10.411 -0.659) 13.432 18.482 ( 3.248 2.564 4.266) 5.943 18.716 ( 5.521 -2.613 1.790) 6.365 19.107 ( -11.032 6.082 4.602) 13.412 19.164 ( -10.970 1.226 4.008) 11.743 19.869 ( 8.603 5.836 5.550) 11.785 19.938 ( 5.354 6.864 3.941) 9.556 20.733 ( 2.146 -4.071 -9.771) 10.800 21.023 ( -3.071 -13.556 -4.627) 14.650 21.299 ( 13.269 -8.313 -2.082) 15.796 21.423 ( 13.865 -3.759 2.438) 14.570 21.671 ( -6.689 4.509 -4.625) 9.299 21.862 ( 5.957 0.451 -0.662) 6.010 22.213 ( 12.113 -15.811 -12.353) 23.438 22.439 ( -6.728 -7.852 7.659) 12.868 22.547 ( 4.375 19.108 -3.304) 19.879 22.701 ( -0.690 -5.141 -1.691) 5.456 22.914 ( 2.091 -0.645 0.480) 2.240 23.019 ( 1.989 0.477 3.997) 4.490 23.227 ( 0.178 15.435 -7.848) 17.317 23.654 ( 1.102 23.826 1.667) 23.909 23.722 ( 6.410 18.530 -4.908) 20.212 24.319 ( -3.212 9.354 -2.500) 10.201 24.564 ( 1.082 -1.135 -3.412) 3.755 24.723 ( 0.113 -1.024 -2.956) 3.131 25.847 ( -3.418 2.164 -0.212) 4.051 25.891 ( 3.091 -1.155 4.917) 5.921 26.227 ( 1.033 -2.230 0.923) 2.625 26.407 ( -0.429 -6.734 -0.450) 6.763 26.540 ( -2.374 6.476 -3.190) 7.599 26.572 ( 0.509 1.013 0.974) 1.495 27.099 ( -6.760 0.362 10.724) 12.682 27.222 ( -8.443 5.882 13.197) 16.735 27.274 ( -5.185 -7.259 14.899) 17.365 27.643 ( -9.199 3.416 -0.033) 9.813 27.984 ( -5.282 -11.727 4.580) 13.653 28.050 ( -1.608 -1.557 0.404) 2.274 28.446 ( 2.175 2.199 9.827) 10.302 28.502 ( -3.687 1.636 -0.068) 4.035 28.637 ( -0.333 3.856 4.719) 6.103 29.011 ( 3.197 0.999 -3.932) 5.165 29.217 ( -3.015 0.362 -6.346) 7.035 29.321 ( 1.931 0.644 -9.771) 9.981 29.373 ( -2.357 -3.351 -1.373) 4.320 29.519 ( -8.481 0.781 -9.555) 12.800 29.730 ( 8.927 -6.761 -8.893) 14.300 29.970 ( -3.151 0.106 -1.848) 3.655 30.084 ( 4.648 1.480 0.342) 4.890 30.352 ( -1.721 -1.800 -4.764) 5.376 30.517 ( 1.323 0.884 -4.864) 5.118 30.593 ( 7.980 -1.426 3.479) 8.822 30.644 ( 7.802 1.108 4.348) 9.000 30.828 ( -0.864 2.575 -0.535) 2.768 31.027 ( 1.081 -4.015 3.545) 5.464 31.372 ( 15.857 -4.984 -6.650) 17.903 31.461 ( -2.684 -2.402 7.225) 8.073 31.621 ( 10.601 -20.669 -1.829) 23.301 32.040 ( 4.325 -4.664 0.735) 6.403 32.088 ( -3.684 -5.535 1.265) 6.768 32.171 ( -1.118 1.675 4.632) 5.051 32.853 ( 2.746 -6.690 -3.753) 8.148 33.885 ( 1.248 0.738 5.415) 5.605 34.030 ( -4.917 1.803 -3.857) 6.504 34.643 ( -1.042 -10.088 4.425) 11.065 34.729 ( -0.660 -9.614 5.699) 11.196 37.937 ( 2.968 24.458 2.883) 24.805 37.994 ( -9.719 37.860 -10.014) 40.350 39.131 ( -1.222 11.941 0.622) 12.019 39.195 ( 0.895 12.731 2.335) 12.974 40.576 ( 2.588 -3.002 0.090) 3.964 40.704 ( 0.946 -3.853 -1.229) 4.153 40.771 ( -1.048 1.362 -2.216) 2.805 40.915 ( -3.918 3.708 -0.583) 5.426 41.962 ( -4.644 -4.385 -2.159) 6.743 42.200 ( -0.854 -3.710 0.464) 3.835 42.295 ( -1.060 -1.545 1.789) 2.591 42.371 ( 0.601 -6.478 6.989) 9.548 43.847 ( 8.507 -1.538 -0.444) 8.656 43.932 ( 11.402 -8.883 -1.839) 14.571 44.417 ( -4.724 -9.735 -1.082) 10.875 44.446 ( -2.908 -8.462 0.839) 8.986 44.777 ( -4.022 14.123 -5.408) 15.649 44.823 ( -1.223 8.120 1.298) 8.314 44.886 ( 1.868 10.365 -0.344) 10.537 44.961 ( -3.072 16.010 -3.501) 16.673 45.103 ( -0.746 17.551 -0.693) 17.581 45.318 ( 0.114 19.688 -5.144) 20.349 46.408 ( -18.331 -0.536 12.893) 22.417 46.604 ( -1.857 -2.311 1.278) 3.229 46.939 ( 3.420 0.152 0.446) 3.452 47.303 ( -3.320 -4.584 -0.944) 5.738 47.438 ( -8.153 -0.725 -1.532) 8.327 47.749 ( -1.210 -2.850 5.167) 6.023 47.864 ( 2.730 -6.964 2.455) 7.872 48.067 ( -2.928 -1.096 -2.740) 4.157 48.303 ( -0.961 -8.451 -8.156) 11.783 48.534 ( 1.155 -4.618 3.528) 5.925 49.600 ( 4.600 0.033 -0.578) 4.636 49.831 ( 1.741 -0.744 3.408) 3.899 49.974 ( 6.873 -2.071 -4.018) 8.227 50.342 ( 1.929 -11.222 1.535) 11.489 52.314 ( 6.264 -0.035 -2.444) 6.724 52.347 ( 4.194 2.040 -1.924) 5.045 52.644 ( 1.940 -1.619 0.317) 2.547 52.753 ( 0.848 -1.577 -1.051) 2.076 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 12.684 29.548 16.522) 36.151 2.142 ( 15.418 21.030 6.600) 26.898 2.467 ( -1.660 29.002 -0.441) 29.053 2.822 ( -9.485 17.406 -5.541) 20.582 2.963 ( -5.759 19.081 -8.014) 21.482 3.216 ( 4.957 1.754 -16.556) 17.371 3.330 ( -3.766 2.881 -8.597) 9.818 3.488 ( -5.405 0.321 -8.972) 10.479 3.672 ( 0.897 4.327 3.034) 5.360 3.900 ( -4.343 0.575 2.039) 4.832 3.983 ( -13.862 2.562 -1.884) 14.222 4.196 ( 13.953 -2.111 18.052) 22.913 4.244 ( -4.258 2.755 5.712) 7.638 4.415 ( 11.115 -0.543 9.908) 14.900 4.460 ( -4.056 3.466 3.199) 6.220 4.584 ( 4.414 7.291 10.852) 13.799 4.858 ( 8.282 -4.305 15.749) 18.307 5.128 ( 2.217 -1.500 -0.296) 2.693 5.243 ( 7.687 1.334 -3.595) 8.590 5.324 ( 3.604 0.296 -6.330) 7.290 5.431 ( -4.936 -1.993 4.783) 7.157 5.584 ( 0.692 1.892 -0.011) 2.014 5.658 ( -1.084 4.582 -4.970) 6.846 5.714 ( -1.587 -2.836 4.041) 5.186 5.932 ( -2.772 -4.496 -2.766) 5.963 6.050 ( -3.022 -5.096 -4.492) 7.435 6.124 ( 1.151 -1.504 3.295) 3.801 6.391 ( -1.556 -7.992 1.091) 8.215 6.667 ( -14.063 -1.128 -12.122) 18.601 6.923 ( -7.626 -0.965 -12.489) 14.665 7.045 ( 4.630 2.227 -8.814) 10.202 7.213 ( -3.380 -4.788 -0.582) 5.890 7.290 ( 3.187 -3.321 1.746) 4.922 7.479 ( 2.223 -1.697 -2.281) 3.609 7.559 ( -7.427 -6.141 -5.171) 10.937 7.668 ( -0.375 -0.717 2.884) 2.996 7.780 ( 1.886 -6.037 5.554) 8.417 7.972 ( 0.266 -3.153 0.139) 3.167 8.016 ( -4.803 -1.123 -5.942) 7.722 8.057 ( -6.287 -0.698 -4.507) 7.767 8.385 ( 5.026 1.479 4.646) 7.003 8.578 ( 0.182 -0.162 5.645) 5.650 8.969 ( 6.800 -3.840 -1.866) 8.029 9.020 ( -2.336 -2.494 6.520) 7.361 9.337 ( 7.859 9.422 -2.697) 12.562 9.474 ( -1.646 6.182 2.749) 6.963 9.818 ( 4.082 3.036 -0.604) 5.123 10.151 ( 1.180 0.261 1.662) 2.055 12.374 ( -2.198 4.587 -6.246) 8.056 12.837 ( 16.035 5.379 1.085) 16.948 13.202 ( -9.866 2.389 3.076) 10.607 13.651 ( -1.372 3.411 -1.480) 3.963 13.772 ( -4.296 1.847 5.630) 7.319 13.911 ( 13.110 -0.079 22.467) 26.012 14.622 ( 5.043 0.839 5.997) 7.880 14.917 ( -9.245 -2.414 -7.781) 12.323 15.852 ( 2.575 -7.754 -10.443) 13.260 16.328 ( -9.297 -2.931 -17.355) 19.905 16.725 ( -4.978 6.936 -6.702) 10.854 16.783 ( -2.895 5.721 -2.946) 7.056 17.468 ( 4.663 0.406 0.863) 4.759 18.165 ( 2.622 -7.288 -4.033) 8.732 18.253 ( 0.891 -6.513 2.618) 7.076 18.374 ( 1.476 -6.192 7.423) 9.779 18.591 ( 1.360 6.271 5.388) 8.379 18.803 ( 0.182 -4.878 -0.509) 4.907 18.976 ( -8.159 3.129 1.161) 8.815 19.015 ( -6.958 9.225 -0.890) 11.589 20.100 ( 4.951 3.342 6.384) 8.743 20.105 ( 6.260 -4.293 13.053) 15.100 20.619 ( 2.728 -5.409 -14.388) 15.612 20.947 ( -1.934 -7.720 -0.927) 8.012 21.333 ( 1.411 -12.804 -2.562) 13.134 21.454 ( -8.396 2.368 -8.457) 12.150 21.787 ( 17.854 -1.737 7.026) 19.265 21.941 ( 4.682 -0.436 -0.888) 4.785 22.221 ( 5.488 -10.805 -8.464) 14.782 22.381 ( -7.367 -9.193 3.972) 12.432 22.571 ( 1.308 11.177 -2.418) 11.510 22.678 ( 1.333 3.200 -1.842) 3.926 22.967 ( 2.087 7.544 2.435) 8.197 23.053 ( -0.284 -0.551 -1.198) 1.349 23.204 ( 1.860 6.734 -0.929) 7.048 23.693 ( -4.958 20.530 10.484) 23.579 23.771 ( 9.823 22.863 -8.718) 26.367 24.245 ( -2.877 10.463 -1.999) 11.034 24.546 ( 0.801 -3.180 -1.880) 3.780 24.712 ( 1.151 -1.155 -0.830) 1.829 25.796 ( -2.451 2.820 -0.139) 3.738 26.011 ( 3.958 -0.973 4.590) 6.139 26.223 ( -0.245 0.230 -1.253) 1.297 26.391 ( -2.023 -6.170 0.079) 6.494 26.455 ( -1.763 3.215 -3.631) 5.160 26.597 ( 0.722 0.781 0.812) 1.338 27.090 ( -5.268 -3.019 5.080) 7.917 27.307 ( -1.965 5.386 10.555) 12.012 27.359 ( -2.443 -6.068 7.032) 9.604 27.539 ( -5.572 -0.471 1.816) 5.879 27.952 ( -3.147 -13.538 0.898) 13.928 28.054 ( -0.601 1.724 2.652) 3.220 28.434 ( -3.720 1.483 -0.269) 4.014 28.581 ( 0.598 6.028 8.377) 10.338 28.673 ( 0.561 3.843 -1.653) 4.220 28.960 ( -0.297 7.492 -8.315) 11.196 29.133 ( -5.033 4.162 5.423) 8.489 29.251 ( 3.251 -2.266 -6.091) 7.267 29.289 ( -1.360 -3.397 -9.624) 10.296 29.410 ( 0.153 -2.018 3.596) 4.127 29.687 ( 3.341 -1.301 -11.429) 11.978 29.848 ( -4.877 0.986 -4.756) 6.883 30.168 ( 2.722 -3.335 1.990) 4.743 30.289 ( -1.509 -0.615 -1.314) 2.093 30.409 ( -2.391 0.720 -4.893) 5.494 30.691 ( 2.869 0.108 -0.076) 2.872 30.854 ( 7.508 3.177 -2.105) 8.420 30.900 ( 5.494 2.658 10.831) 12.432 31.076 ( 0.248 -6.048 2.488) 6.544 31.442 ( 2.277 -5.200 -3.032) 6.435 31.532 ( 2.270 -2.486 2.025) 3.928 31.692 ( 6.893 -12.273 -4.664) 14.829 32.030 ( -5.555 -7.774 1.029) 9.611 32.060 ( 0.385 1.294 -1.196) 1.804 32.280 ( 3.353 -5.340 7.196) 9.567 32.826 ( 0.990 -6.746 -5.008) 8.460 33.902 ( -3.155 1.118 -2.156) 3.981 33.965 ( -0.317 1.937 2.449) 3.139 34.670 ( -1.117 -12.776 2.526) 13.071 34.787 ( 0.269 -8.901 3.845) 9.700 37.809 ( -4.036 32.760 -4.204) 33.275 38.015 ( 2.396 26.028 2.294) 26.239 39.115 ( -1.056 12.381 0.043) 12.426 39.236 ( 0.813 12.053 1.621) 12.189 40.600 ( 0.840 -3.823 -0.851) 4.006 40.679 ( -0.664 -2.064 -2.192) 3.083 40.750 ( 1.945 2.387 -1.281) 3.334 40.858 ( -3.297 3.151 -0.133) 4.562 41.874 ( -3.383 -2.986 -1.247) 4.682 42.197 ( -0.195 -3.559 0.330) 3.579 42.295 ( -0.997 -0.642 1.044) 1.580 42.472 ( 1.034 -7.188 5.718) 9.243 43.974 ( 7.951 -2.929 -0.197) 8.475 44.069 ( 9.116 -9.017 -1.577) 12.919 44.321 ( -5.825 -8.237 -1.034) 10.142 44.399 ( -3.931 -10.688 0.363) 11.393 44.686 ( -1.752 9.953 -2.197) 10.342 44.829 ( -0.214 9.794 0.917) 9.839 44.900 ( -1.668 14.102 -0.779) 14.221 44.911 ( 1.757 12.584 -0.556) 12.718 45.096 ( -0.517 16.046 0.423) 16.060 45.274 ( -0.180 18.669 -2.181) 18.797 46.305 ( -8.896 -1.677 4.626) 10.166 46.597 ( -1.003 -3.601 1.106) 3.898 47.013 ( 5.498 0.079 0.442) 5.516 47.234 ( -4.193 -3.493 -1.120) 5.571 47.301 ( -6.822 -0.487 -1.012) 6.914 47.802 ( -1.241 -4.120 6.170) 7.522 47.931 ( 2.681 -6.652 0.945) 7.234 48.000 ( -1.494 -1.643 -1.689) 2.790 48.183 ( -2.543 -7.886 -6.077) 10.275 48.578 ( -0.321 -4.666 2.564) 5.334 49.655 ( 3.030 0.029 -0.343) 3.049 49.903 ( 2.437 -0.975 2.717) 3.778 50.011 ( 3.540 -1.828 -3.391) 5.232 50.356 ( -0.176 -7.724 -0.135) 7.727 52.358 ( 3.009 1.063 -2.059) 3.798 52.393 ( 3.114 1.783 0.302) 3.601 52.673 ( 1.307 -1.517 0.180) 2.011 52.750 ( 0.430 -1.535 -0.967) 1.865 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 32.085 0.000) 32.085 2.323 ( 0.000 28.922 0.000) 28.922 2.605 ( 0.000 20.055 -0.000) 20.055 2.632 ( -0.000 14.346 0.000) 14.346 2.828 ( 0.000 13.216 0.000) 13.216 3.147 ( 0.000 6.935 0.000) 6.935 3.225 ( 0.000 6.714 0.000) 6.714 3.383 ( 0.000 0.354 -0.000) 0.354 3.701 ( 0.000 3.257 0.000) 3.257 3.768 ( 0.000 2.296 0.000) 2.296 3.931 ( 0.000 1.055 0.000) 1.055 4.210 ( 0.000 -3.092 0.000) 3.092 4.367 ( 0.000 -1.019 -0.000) 1.019 4.413 ( 0.000 6.374 0.000) 6.374 4.504 ( 0.000 1.192 0.000) 1.192 4.875 ( 0.000 3.536 0.000) 3.536 5.081 ( 0.000 -10.486 0.000) 10.486 5.244 ( 0.000 0.898 0.000) 0.898 5.261 ( -0.000 -2.987 -0.000) 2.987 5.340 ( 0.000 1.708 0.000) 1.708 5.413 ( -0.000 1.826 0.000) 1.826 5.595 ( 0.000 4.575 0.000) 4.575 5.599 ( 0.000 2.726 0.000) 2.726 5.760 ( 0.000 -0.941 0.000) 0.941 5.834 ( 0.000 -4.284 0.000) 4.284 5.995 ( 0.000 -4.284 -0.000) 4.284 6.152 ( 0.000 -2.660 0.000) 2.660 6.380 ( 0.000 -8.531 0.000) 8.531 6.431 ( 0.000 1.746 0.000) 1.746 6.753 ( 0.000 -1.428 0.000) 1.428 7.026 ( 0.000 2.735 0.000) 2.735 7.176 ( 0.000 -5.313 0.000) 5.313 7.378 ( -0.000 -2.420 -0.000) 2.420 7.412 ( 0.000 -5.978 0.000) 5.978 7.477 ( 0.000 -1.697 0.000) 1.697 7.689 ( 0.000 -1.500 0.000) 1.500 7.831 ( 0.000 -6.326 0.000) 6.326 7.950 ( 0.000 -1.104 0.000) 1.104 7.955 ( -0.000 -1.398 -0.000) 1.398 7.988 ( 0.000 -1.974 0.000) 1.974 8.456 ( 0.000 1.331 0.000) 1.331 8.616 ( 0.000 -0.143 0.000) 0.143 9.019 ( 0.000 -3.209 0.000) 3.209 9.036 ( 0.000 -3.383 -0.000) 3.383 9.392 ( 0.000 7.820 -0.000) 7.820 9.468 ( -0.000 7.570 0.000) 7.570 9.846 ( 0.000 2.975 0.000) 2.975 10.172 ( 0.000 0.260 0.000) 0.260 12.317 ( 0.000 4.791 0.000) 4.791 13.048 ( 0.000 9.587 -0.000) 9.587 13.062 ( -0.000 -3.444 0.000) 3.444 13.625 ( 0.000 3.212 0.000) 3.212 13.771 ( 0.000 3.805 0.000) 3.805 14.279 ( 0.000 -4.732 -0.000) 4.732 14.672 ( 0.000 3.043 0.000) 3.043 14.721 ( 0.000 2.535 0.000) 2.535 15.846 ( 0.000 -5.736 0.000) 5.736 16.095 ( 0.000 -7.830 0.000) 7.830 16.633 ( 0.000 6.920 0.000) 6.920 16.751 ( 0.000 4.505 0.000) 4.505 17.525 ( 0.000 -2.898 0.000) 2.898 18.122 ( 0.000 -3.599 0.000) 3.599 18.316 ( 0.000 -3.923 0.000) 3.923 18.451 ( 0.000 -4.804 0.000) 4.804 18.634 ( 0.000 8.817 0.000) 8.817 18.740 ( 0.000 -7.407 0.000) 7.407 18.930 ( 0.000 12.194 0.000) 12.194 18.974 ( 0.000 -0.250 0.000) 0.250 20.183 ( 0.000 3.591 0.000) 3.591 20.296 ( 0.000 -13.776 0.000) 13.776 20.506 ( 0.000 -2.110 -0.000) 2.110 20.929 ( 0.000 -4.984 0.000) 4.984 21.307 ( 0.000 2.712 -0.000) 2.712 21.330 ( -0.000 -13.055 0.000) 13.055 21.972 ( 0.000 -1.361 0.000) 1.361 22.030 ( 0.000 3.629 0.000) 3.629 22.163 ( 0.000 -17.966 0.000) 17.966 22.353 ( 0.000 -7.371 0.000) 7.371 22.557 ( 0.000 7.072 0.000) 7.072 22.676 ( 0.000 6.394 0.000) 6.394 22.993 ( 0.000 7.754 0.000) 7.754 23.059 ( 0.000 3.194 0.000) 3.194 23.199 ( 0.000 4.592 0.000) 4.592 23.734 ( 0.000 19.962 0.000) 19.962 23.792 ( 0.000 22.753 0.000) 22.753 24.205 ( 0.000 11.376 0.000) 11.376 24.541 ( 0.000 -3.708 0.000) 3.708 24.719 ( 0.000 -1.212 0.000) 1.212 25.775 ( 0.000 2.960 0.000) 2.960 26.083 ( 0.000 -1.288 0.000) 1.288 26.210 ( 0.000 0.950 0.000) 0.950 26.358 ( 0.000 0.255 0.000) 0.255 26.424 ( 0.000 -4.025 0.000) 4.025 26.608 ( 0.000 1.039 0.000) 1.039 27.081 ( 0.000 -5.820 0.000) 5.820 27.364 ( -0.000 5.389 0.000) 5.389 27.383 ( 0.000 1.973 0.000) 1.973 27.507 ( 0.000 -8.750 -0.000) 8.750 27.929 ( 0.000 -13.251 0.000) 13.251 28.073 ( 0.000 1.972 0.000) 1.972 28.401 ( 0.000 0.324 0.000) 0.324 28.647 ( 0.000 5.900 -0.000) 5.900 28.652 ( -0.000 7.587 0.000) 7.587 28.885 ( 0.000 10.153 0.000) 10.153 29.169 ( -0.000 0.187 0.000) 0.187 29.177 ( 0.000 0.956 -0.000) 0.956 29.249 ( 0.000 -2.854 0.000) 2.854 29.478 ( 0.000 -4.182 0.000) 4.182 29.610 ( 0.000 1.401 -0.000) 1.401 29.768 ( 0.000 0.397 0.000) 0.397 30.203 ( 0.000 -4.094 0.000) 4.094 30.269 ( 0.000 -0.643 0.000) 0.643 30.358 ( 0.000 0.620 0.000) 0.620 30.711 ( 0.000 -0.371 0.000) 0.371 30.898 ( 0.000 5.227 0.000) 5.227 31.046 ( -0.000 3.661 -0.000) 3.661 31.088 ( 0.000 -7.679 0.000) 7.679 31.422 ( 0.000 -7.842 0.000) 7.842 31.549 ( 0.000 -2.687 0.000) 2.687 31.740 ( 0.000 -6.994 0.000) 6.994 31.977 ( 0.000 -7.892 0.000) 7.892 32.054 ( 0.000 2.318 0.000) 2.318 32.367 ( 0.000 -9.093 0.000) 9.093 32.791 ( 0.000 -5.751 0.000) 5.751 33.857 ( 0.000 1.720 0.000) 1.720 33.982 ( 0.000 1.676 0.000) 1.676 34.676 ( 0.000 -13.474 0.000) 13.474 34.816 ( 0.000 -8.986 0.000) 8.986 37.753 ( 0.000 31.115 0.000) 31.115 38.050 ( 0.000 26.756 0.000) 26.756 39.107 ( 0.000 12.478 0.000) 12.478 39.253 ( 0.000 11.754 0.000) 11.754 40.596 ( 0.000 -3.541 0.000) 3.541 40.656 ( 0.000 -1.505 0.000) 1.505 40.777 ( 0.000 2.689 0.000) 2.689 40.817 ( -0.000 2.656 0.000) 2.656 41.840 ( 0.000 -2.611 0.000) 2.611 42.198 ( 0.000 -3.479 0.000) 3.479 42.293 ( 0.000 -0.294 0.000) 0.294 42.518 ( 0.000 -7.309 0.000) 7.309 44.047 ( 0.000 -3.634 0.000) 3.634 44.149 ( 0.000 -8.121 0.000) 8.121 44.246 ( 0.000 -8.098 0.000) 8.098 44.362 ( 0.000 -11.988 0.000) 11.988 44.660 ( 0.000 8.225 0.000) 8.225 44.833 ( 0.000 10.868 0.000) 10.868 44.884 ( 0.000 13.303 0.000) 13.303 44.922 ( 0.000 13.323 0.000) 13.323 45.095 ( 0.000 15.942 0.000) 15.942 45.259 ( 0.000 18.541 0.000) 18.541 46.263 ( 0.000 -1.948 0.000) 1.948 46.597 ( 0.000 -4.191 0.000) 4.191 47.095 ( 0.000 -0.147 0.000) 0.147 47.154 ( 0.000 -1.546 0.000) 1.546 47.243 ( 0.000 -1.573 0.000) 1.573 47.840 ( 0.000 -5.884 0.000) 5.884 47.938 ( 0.000 0.652 0.000) 0.652 48.006 ( 0.000 -8.989 -0.000) 8.989 48.108 ( 0.000 -6.593 0.000) 6.593 48.590 ( 0.000 -4.649 0.000) 4.649 49.677 ( 0.000 -0.009 0.000) 0.009 49.950 ( 0.000 -1.611 0.000) 1.611 50.008 ( 0.000 -1.204 0.000) 1.204 50.352 ( 0.000 -6.762 0.000) 6.762 52.367 ( 0.000 1.475 0.000) 1.475 52.423 ( 0.000 1.366 0.000) 1.366 52.684 ( 0.000 -1.496 0.000) 1.496 52.746 ( 0.000 -1.447 0.000) 1.447 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 28.914 0.000) 28.914 1.428 ( 0.000 31.775 0.000) 31.775 2.530 ( 0.000 6.107 0.000) 6.107 2.971 ( 0.000 21.744 0.000) 21.744 3.078 ( 0.000 -3.316 0.000) 3.316 3.517 ( 0.000 25.347 0.000) 25.347 3.730 ( 0.000 25.016 0.000) 25.016 3.755 ( 0.000 16.260 0.000) 16.260 3.974 ( 0.000 17.065 0.000) 17.065 4.097 ( 0.000 11.824 0.000) 11.824 4.150 ( 0.000 12.272 0.000) 12.272 4.296 ( 0.000 3.596 0.000) 3.596 4.470 ( 0.000 -0.082 0.000) 0.082 4.560 ( 0.000 -1.861 0.000) 1.861 4.615 ( 0.000 -1.003 0.000) 1.003 4.891 ( 0.000 3.427 0.000) 3.427 5.052 ( 0.000 -2.297 0.000) 2.297 5.068 ( 0.000 1.414 0.000) 1.414 5.141 ( 0.000 -0.335 0.000) 0.335 5.283 ( 0.000 -0.933 0.000) 0.933 5.313 ( 0.000 -3.200 0.000) 3.200 5.472 ( 0.000 -3.192 0.000) 3.192 5.558 ( 0.000 1.258 0.000) 1.258 5.684 ( 0.000 -5.616 0.000) 5.616 5.806 ( 0.000 -15.870 0.000) 15.870 5.867 ( 0.000 -18.990 0.000) 18.990 6.503 ( 0.000 7.012 0.000) 7.012 6.787 ( 0.000 0.474 0.000) 0.474 7.000 ( 0.000 0.954 0.000) 0.954 7.028 ( 0.000 -4.764 0.000) 4.764 7.044 ( 0.000 -5.699 0.000) 5.699 7.190 ( 0.000 -1.959 0.000) 1.959 7.253 ( 0.000 -9.476 0.000) 9.476 7.265 ( 0.000 -9.826 0.000) 9.826 7.464 ( 0.000 -1.350 0.000) 1.350 7.550 ( 0.000 -8.016 0.000) 8.016 7.704 ( 0.000 -0.517 0.000) 0.517 7.858 ( 0.000 -4.633 0.000) 4.633 8.050 ( 0.000 5.611 0.000) 5.611 8.288 ( 0.000 -1.454 0.000) 1.454 8.409 ( 0.000 1.876 0.000) 1.876 8.527 ( 0.000 0.161 0.000) 0.161 8.656 ( 0.000 -1.455 0.000) 1.455 8.818 ( 0.000 -2.912 0.000) 2.912 9.428 ( 0.000 12.929 0.000) 12.929 9.469 ( 0.000 7.256 0.000) 7.256 9.680 ( 0.000 4.540 0.000) 4.540 10.040 ( 0.000 -1.954 0.000) 1.954 12.401 ( 0.000 13.577 0.000) 13.577 12.910 ( 0.000 5.347 0.000) 5.347 13.011 ( 0.000 2.069 0.000) 2.069 13.433 ( 0.000 -0.655 0.000) 0.655 13.628 ( 0.000 8.994 0.000) 8.994 13.874 ( 0.000 5.584 0.000) 5.584 14.315 ( 0.000 -12.878 0.000) 12.878 15.129 ( 0.000 -12.280 0.000) 12.280 16.543 ( 0.000 6.413 0.000) 6.413 16.799 ( 0.000 4.373 0.000) 4.373 16.838 ( 0.000 7.680 0.000) 7.680 17.236 ( 0.000 -11.958 0.000) 11.958 17.578 ( 0.000 3.739 0.000) 3.739 17.726 ( 0.000 -4.966 0.000) 4.966 18.046 ( 0.000 -10.950 0.000) 10.950 18.248 ( 0.000 -12.092 0.000) 12.092 18.439 ( 0.000 4.879 0.000) 4.879 18.702 ( 0.000 -2.693 0.000) 2.693 18.958 ( 0.000 -5.964 0.000) 5.964 19.219 ( 0.000 -1.896 0.000) 1.896 20.094 ( 0.000 12.866 0.000) 12.866 20.183 ( 0.000 7.855 0.000) 7.855 20.724 ( 0.000 -6.998 0.000) 6.998 20.759 ( 0.000 -12.085 0.000) 12.085 20.911 ( 0.000 3.089 0.000) 3.089 21.240 ( 0.000 7.909 0.000) 7.909 21.467 ( 0.000 -10.856 0.000) 10.856 21.942 ( 0.000 -6.913 0.000) 6.913 22.021 ( 0.000 5.503 0.000) 5.503 22.333 ( 0.000 -0.742 0.000) 0.742 22.474 ( 0.000 -3.088 0.000) 3.088 22.656 ( 0.000 -12.201 0.000) 12.201 23.043 ( 0.000 23.653 0.000) 23.653 23.126 ( 0.000 11.999 0.000) 11.999 23.764 ( 0.000 5.044 0.000) 5.044 23.956 ( 0.000 19.022 0.000) 19.022 24.095 ( 0.000 16.482 0.000) 16.482 24.401 ( 0.000 -6.192 0.000) 6.192 24.776 ( 0.000 -0.868 0.000) 0.868 25.091 ( 0.000 -5.479 0.000) 5.479 25.629 ( 0.000 2.739 0.000) 2.739 25.752 ( 0.000 -1.574 0.000) 1.574 26.091 ( 0.000 4.335 0.000) 4.335 26.316 ( 0.000 -5.533 0.000) 5.533 26.623 ( 0.000 -0.500 0.000) 0.500 26.787 ( 0.000 1.983 0.000) 1.983 26.854 ( 0.000 4.721 0.000) 4.721 27.359 ( 0.000 7.370 0.000) 7.370 27.489 ( 0.000 1.846 0.000) 1.846 27.719 ( 0.000 -10.246 0.000) 10.246 27.847 ( 0.000 -1.583 0.000) 1.583 27.967 ( 0.000 -9.651 0.000) 9.651 28.234 ( 0.000 3.406 0.000) 3.406 28.437 ( 0.000 -5.166 0.000) 5.166 28.659 ( 0.000 9.118 0.000) 9.118 29.034 ( 0.000 0.954 0.000) 0.954 29.065 ( 0.000 0.551 0.000) 0.551 29.249 ( 0.000 -6.557 0.000) 6.557 29.386 ( 0.000 1.561 0.000) 1.561 29.679 ( 0.000 1.436 0.000) 1.436 29.699 ( 0.000 -5.592 0.000) 5.592 29.773 ( 0.000 -1.843 0.000) 1.843 30.016 ( 0.000 5.237 0.000) 5.237 30.391 ( 0.000 -2.081 0.000) 2.081 30.470 ( 0.000 5.149 0.000) 5.149 30.478 ( 0.000 1.957 0.000) 1.957 30.520 ( 0.000 -0.338 0.000) 0.338 30.728 ( 0.000 -2.619 0.000) 2.619 30.977 ( 0.000 2.453 0.000) 2.453 31.063 ( 0.000 5.351 0.000) 5.351 31.353 ( 0.000 -0.480 0.000) 0.480 31.552 ( 0.000 5.276 0.000) 5.276 31.704 ( 0.000 -10.033 0.000) 10.033 31.989 ( 0.000 -8.586 0.000) 8.586 32.245 ( 0.000 5.505 0.000) 5.505 32.696 ( 0.000 -7.461 0.000) 7.461 33.812 ( 0.000 5.037 0.000) 5.037 34.223 ( 0.000 2.274 0.000) 2.274 34.391 ( 0.000 -10.672 0.000) 10.672 34.515 ( 0.000 -5.772 0.000) 5.772 38.462 ( 0.000 33.182 0.000) 33.182 39.235 ( 0.000 19.903 0.000) 19.903 39.378 ( 0.000 10.429 0.000) 10.429 39.453 ( 0.000 17.493 0.000) 17.493 40.483 ( 0.000 -1.375 0.000) 1.375 40.583 ( 0.000 0.596 0.000) 0.596 40.857 ( 0.000 2.273 0.000) 2.273 41.067 ( 0.000 -0.749 0.000) 0.749 41.822 ( 0.000 -11.613 0.000) 11.613 42.059 ( 0.000 -8.711 0.000) 8.711 42.215 ( 0.000 -6.223 0.000) 6.223 42.232 ( 0.000 -2.977 0.000) 2.977 43.663 ( 0.000 1.569 0.000) 1.569 43.754 ( 0.000 3.212 0.000) 3.212 44.244 ( 0.000 -13.013 0.000) 13.013 44.277 ( 0.000 -11.043 0.000) 11.043 45.023 ( 0.000 11.043 0.000) 11.043 45.108 ( 0.000 13.037 0.000) 13.037 45.265 ( 0.000 11.714 0.000) 11.714 45.273 ( 0.000 14.668 0.000) 14.668 45.670 ( 0.000 19.215 0.000) 19.215 45.972 ( 0.000 2.003 0.000) 2.003 46.611 ( 0.000 -1.815 0.000) 1.815 46.720 ( 0.000 -11.565 0.000) 11.565 46.891 ( 0.000 1.861 0.000) 1.861 47.215 ( 0.000 -7.259 0.000) 7.259 47.517 ( 0.000 -12.595 0.000) 12.595 47.628 ( 0.000 -6.358 0.000) 6.358 47.844 ( 0.000 7.229 0.000) 7.229 48.140 ( 0.000 -1.681 0.000) 1.681 48.173 ( 0.000 -1.679 0.000) 1.679 48.298 ( 0.000 -6.760 0.000) 6.760 49.515 ( 0.000 0.610 0.000) 0.610 49.724 ( 0.000 -0.229 0.000) 0.229 49.732 ( 0.000 -5.179 0.000) 5.179 49.888 ( 0.000 -2.895 0.000) 2.895 52.210 ( 0.000 5.631 0.000) 5.631 52.378 ( 0.000 5.103 0.000) 5.103 52.543 ( 0.000 -3.529 0.000) 3.529 52.698 ( 0.000 -3.572 0.000) 3.572 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 8.775 28.066 14.491) 32.782 1.733 ( 31.624 18.954 31.455) 48.464 2.755 ( 16.751 11.554 12.127) 23.689 3.125 ( 8.442 -5.497 11.395) 15.209 3.136 ( 5.776 19.101 4.598) 20.478 3.498 ( 0.023 26.720 -3.262) 26.919 3.665 ( -2.815 25.522 -5.517) 26.262 3.750 ( -0.239 18.028 1.271) 18.074 3.921 ( -9.974 9.800 -1.127) 14.028 4.085 ( -2.556 8.775 -8.743) 12.648 4.105 ( -3.085 4.617 -7.194) 9.087 4.150 ( -3.678 7.337 -5.789) 10.044 4.269 ( -9.498 5.550 -11.324) 15.787 4.483 ( 1.222 1.032 -2.748) 3.180 4.614 ( -2.278 1.690 3.338) 4.380 4.823 ( -11.268 4.172 2.901) 12.360 4.978 ( -10.288 1.388 -2.497) 10.677 5.069 ( 0.786 -2.006 1.787) 2.799 5.213 ( 4.218 -2.266 1.133) 4.921 5.253 ( -3.320 -3.940 -0.358) 5.164 5.419 ( 2.914 -1.161 3.328) 4.573 5.525 ( -2.202 1.221 -0.379) 2.546 5.550 ( 7.609 -5.366 4.474) 10.330 5.659 ( -3.158 -4.784 1.943) 6.053 5.815 ( 2.027 -13.019 -0.999) 13.213 5.887 ( 0.021 -17.993 2.575) 18.176 6.339 ( -9.180 7.228 -9.233) 14.891 6.656 ( -9.778 -0.251 -6.737) 11.877 7.035 ( 1.335 -5.303 -3.709) 6.607 7.049 ( 1.498 -5.011 -1.123) 5.349 7.073 ( 1.515 -1.471 0.842) 2.273 7.196 ( 0.305 -7.194 -3.373) 7.951 7.211 ( 4.023 -0.938 5.586) 6.948 7.383 ( 6.371 -10.393 2.089) 12.368 7.408 ( 0.181 -0.908 -9.627) 9.672 7.532 ( -1.783 -7.118 0.055) 7.338 7.697 ( -0.602 -3.247 -1.751) 3.738 7.860 ( -0.351 -5.274 0.621) 5.322 8.101 ( 3.525 4.804 3.577) 6.950 8.311 ( -1.368 -1.312 2.886) 3.452 8.378 ( -4.028 1.015 0.339) 4.167 8.477 ( -3.226 0.400 -2.872) 4.337 8.712 ( 3.952 -1.537 2.971) 5.177 8.836 ( 0.253 -2.268 3.498) 4.176 9.432 ( 3.451 11.466 -2.425) 12.218 9.514 ( 2.184 7.708 2.670) 8.445 9.728 ( 4.594 4.555 1.244) 6.588 10.055 ( 1.018 -1.679 1.189) 2.295 12.500 ( 8.431 12.522 4.561) 15.770 12.796 ( -2.638 5.822 -8.448) 10.594 13.180 ( 8.750 2.262 9.785) 13.321 13.418 ( -3.952 -0.479 2.210) 4.553 13.654 ( -1.667 4.744 6.151) 7.945 13.860 ( -2.338 8.140 0.946) 8.522 14.326 ( 4.864 -10.603 -3.238) 12.107 15.046 ( -6.737 -10.068 -1.887) 12.261 16.347 ( -8.377 7.375 -13.690) 17.663 16.761 ( 1.454 2.488 -6.522) 7.130 16.965 ( 2.942 3.476 2.669) 5.278 17.238 ( -3.879 -7.900 2.418) 9.127 17.592 ( 5.689 0.674 -0.227) 5.733 17.652 ( 0.486 -2.765 -12.173) 12.493 18.042 ( -3.976 -10.150 5.544) 12.230 18.237 ( -2.480 -9.953 1.406) 10.353 18.481 ( 2.819 5.753 3.560) 7.329 18.674 ( -3.982 1.718 1.239) 4.510 19.000 ( -1.027 -9.570 7.459) 12.176 19.211 ( -4.287 -3.249 4.259) 6.861 20.050 ( -0.896 12.735 -2.593) 13.027 20.145 ( -0.561 9.943 -4.026) 10.742 20.683 ( -2.162 -8.216 -2.011) 8.730 20.749 ( 1.701 -15.081 -5.783) 16.241 21.049 ( 12.108 4.033 2.541) 13.012 21.246 ( 4.434 2.515 -2.595) 5.720 21.580 ( 10.281 -8.605 2.198) 13.585 21.914 ( 1.631 -6.224 -4.777) 8.013 21.980 ( -6.696 4.336 0.086) 7.978 22.319 ( -3.229 -1.994 2.537) 4.565 22.516 ( 2.426 -6.384 0.402) 6.841 22.676 ( 3.719 -10.006 0.325) 10.679 23.055 ( 0.606 23.697 1.222) 23.737 23.152 ( 1.693 13.617 2.337) 13.919 23.722 ( -4.515 10.077 -0.358) 11.048 23.999 ( 7.723 15.590 -5.251) 18.173 24.087 ( 0.261 17.134 0.291) 17.138 24.398 ( 0.650 -4.810 -1.511) 5.083 24.747 ( -1.066 -1.122 -2.972) 3.351 24.839 ( -4.387 5.311 -18.174) 19.436 25.747 ( 1.269 -2.287 6.221) 6.748 25.851 ( 0.769 -2.366 9.984) 10.289 26.107 ( 3.158 2.079 -0.191) 3.786 26.304 ( 0.199 -5.425 -2.301) 5.896 26.600 ( 0.633 1.541 -2.380) 2.905 26.794 ( -1.315 8.538 -0.054) 8.639 26.908 ( 2.472 -3.249 6.418) 7.606 27.339 ( -20.593 5.761 17.253) 27.476 27.369 ( -5.901 5.870 0.728) 8.355 27.732 ( -3.572 -11.832 2.439) 12.598 27.803 ( -6.795 -3.323 0.147) 7.565 27.954 ( -2.181 -7.557 3.005) 8.420 28.323 ( 5.582 3.225 6.332) 9.036 28.551 ( 6.277 -4.378 2.260) 7.979 28.663 ( 0.870 8.048 0.507) 8.111 29.007 ( 0.178 1.022 0.364) 1.100 29.169 ( 9.707 -4.190 -6.469) 12.395 29.269 ( 5.687 -6.896 -3.374) 9.554 29.378 ( 2.309 -3.372 -3.300) 5.253 29.467 ( -1.272 -4.141 -12.390) 13.126 29.858 ( -2.339 2.041 1.658) 3.519 29.892 ( 3.834 -1.414 7.473) 8.518 30.028 ( 7.162 3.930 0.585) 8.190 30.353 ( 0.744 2.669 2.582) 3.787 30.383 ( -1.214 -0.567 -2.865) 3.163 30.511 ( 2.848 2.676 -0.408) 3.930 30.674 ( -3.618 -3.459 -2.791) 5.731 30.752 ( 12.755 -3.955 6.582) 14.888 30.965 ( -0.416 3.689 -0.597) 3.760 31.059 ( 1.932 3.689 -2.386) 4.800 31.357 ( 0.885 -1.922 -0.153) 2.121 31.495 ( -0.862 1.167 -4.253) 4.494 31.786 ( 3.168 -7.396 5.309) 9.639 31.980 ( -1.883 -7.882 0.813) 8.145 32.247 ( -1.229 5.265 1.724) 5.675 32.694 ( 0.184 -7.941 -0.666) 7.971 33.850 ( 1.559 4.430 3.581) 5.905 34.182 ( -3.065 2.678 -2.336) 4.693 34.400 ( -0.291 -10.767 1.554) 10.882 34.518 ( -0.362 -6.661 0.992) 6.745 38.494 ( 2.328 33.121 2.110) 33.269 39.050 ( -8.470 25.890 -11.644) 29.624 39.431 ( -0.473 12.809 3.265) 13.227 39.465 ( 0.799 15.972 1.466) 16.059 40.496 ( 1.463 -1.520 0.229) 2.122 40.606 ( 2.117 -1.030 0.244) 2.367 40.843 ( -0.987 2.078 -1.018) 2.516 41.033 ( -1.775 0.010 -2.670) 3.206 41.844 ( 1.008 -9.971 1.431) 10.124 42.080 ( 0.078 -7.684 2.890) 8.210 42.168 ( -1.713 -6.337 -2.509) 7.027 42.242 ( -1.236 -4.197 1.738) 4.708 43.701 ( 4.619 0.022 0.068) 4.620 43.778 ( 3.017 2.250 -0.088) 3.765 44.228 ( -1.942 -12.710 -0.183) 12.859 44.267 ( -1.795 -11.003 0.482) 11.159 45.031 ( 0.102 11.534 1.124) 11.589 45.125 ( 1.834 13.208 0.453) 13.343 45.185 ( -3.336 13.282 -4.015) 14.271 45.312 ( 0.093 12.968 1.293) 13.033 45.632 ( -3.632 19.564 -2.152) 20.014 45.857 ( 0.632 10.105 -15.439) 18.463 46.569 ( -20.514 -4.004 8.634) 22.615 46.586 ( -5.427 -3.136 2.084) 6.606 46.906 ( 1.659 1.538 0.454) 2.307 47.209 ( -0.155 -6.558 -0.703) 6.598 47.506 ( -1.643 -10.045 -2.352) 10.447 47.623 ( -0.684 -7.023 0.660) 7.087 47.734 ( -7.772 4.457 2.085) 9.199 48.117 ( -2.562 -0.767 -1.390) 3.014 48.187 ( 1.529 -7.550 -4.547) 8.945 48.338 ( 1.772 -6.635 3.152) 7.556 49.547 ( 3.862 1.014 -0.097) 3.994 49.751 ( 1.414 -0.559 2.532) 2.954 49.837 ( 7.230 -5.650 0.056) 9.176 49.951 ( 6.708 -7.139 3.113) 10.279 52.260 ( 5.470 4.084 -0.073) 6.827 52.389 ( 1.900 4.838 -0.644) 5.238 52.558 ( 1.541 -3.376 0.424) 3.735 52.699 ( 0.674 -3.467 -0.640) 3.589 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 13.187 21.070 19.030) 31.305 2.481 ( 18.415 24.558 20.101) 36.691 3.144 ( 5.775 -9.105 6.492) 12.586 3.307 ( -4.108 20.581 4.281) 21.419 3.360 ( 4.897 27.866 2.470) 28.400 3.493 ( 6.306 13.335 -1.828) 14.864 3.574 ( -4.291 3.157 -18.623) 19.370 3.657 ( 10.546 16.887 7.178) 21.164 3.798 ( -7.340 5.732 -11.961) 15.159 3.886 ( 8.872 19.741 6.803) 22.687 3.933 ( -2.394 6.073 -3.247) 7.291 4.080 ( 2.707 3.674 -3.810) 5.945 4.259 ( -2.031 8.467 5.744) 10.431 4.456 ( -2.865 3.081 2.495) 4.891 4.576 ( -13.964 4.796 -2.336) 14.948 4.641 ( -7.452 1.981 5.919) 9.721 4.816 ( -8.767 3.910 1.931) 9.792 5.096 ( -1.674 -3.082 2.404) 4.252 5.169 ( 2.833 -3.474 -5.065) 6.764 5.305 ( 0.512 -6.107 2.664) 6.682 5.392 ( -1.196 -0.654 -5.116) 5.294 5.544 ( 1.083 -3.526 3.485) 5.075 5.584 ( -4.554 -6.272 2.847) 8.257 5.758 ( 3.634 -4.092 2.654) 6.083 5.866 ( 5.135 -4.123 1.375) 6.728 5.913 ( -0.310 -14.357 1.404) 14.429 6.107 ( -6.524 4.700 -5.773) 9.899 6.398 ( -11.893 -0.912 -5.143) 12.989 6.890 ( -7.991 -5.205 -6.251) 11.403 7.059 ( -0.230 -6.685 -3.049) 7.351 7.121 ( 8.078 1.818 -10.598) 13.449 7.159 ( -1.547 -4.386 1.815) 4.992 7.216 ( -2.734 -2.699 -10.470) 11.153 7.388 ( 6.749 -1.631 -0.320) 6.951 7.464 ( -0.525 -12.009 1.862) 12.164 7.503 ( 0.370 -9.601 -2.788) 10.005 7.662 ( -0.467 -0.637 0.877) 1.180 7.866 ( -0.079 -4.939 1.597) 5.191 8.173 ( -3.879 0.371 -1.960) 4.362 8.214 ( -6.924 -0.628 -6.492) 9.512 8.317 ( 0.756 3.640 2.935) 4.736 8.485 ( 0.167 -0.149 7.271) 7.274 8.818 ( 5.789 -1.244 1.501) 6.109 8.908 ( 0.384 -2.083 6.091) 6.449 9.477 ( 5.582 10.223 -1.981) 11.815 9.578 ( 1.991 6.887 2.065) 7.461 9.826 ( 5.618 4.707 1.001) 7.397 10.098 ( 1.774 -1.174 2.050) 2.955 12.637 ( -2.498 6.885 -7.311) 10.348 12.735 ( 11.857 9.261 2.685) 15.283 13.363 ( -6.149 -0.330 3.248) 6.962 13.493 ( 12.562 3.202 12.419) 17.953 13.712 ( -1.083 -1.807 6.111) 6.464 13.840 ( -3.481 10.836 3.455) 11.894 14.419 ( 9.009 -4.731 2.218) 10.414 14.936 ( -6.607 -8.677 0.928) 10.945 16.024 ( -6.491 4.590 -18.645) 20.269 16.612 ( -5.100 -2.319 -16.507) 17.432 16.932 ( -5.825 1.642 0.225) 6.056 17.115 ( -8.366 3.063 -5.726) 10.591 17.521 ( 2.633 3.147 -9.105) 9.987 17.797 ( 12.137 -6.861 7.050) 15.623 18.056 ( -3.195 -10.900 4.011) 12.046 18.208 ( -3.282 -4.049 3.151) 6.091 18.598 ( 3.133 6.044 6.683) 9.540 18.688 ( 2.898 1.352 2.294) 3.935 19.006 ( -8.815 -8.487 4.875) 13.171 19.232 ( -4.282 -3.064 8.981) 10.411 19.988 ( 0.874 8.399 -7.206) 11.100 20.150 ( 2.991 8.940 2.483) 9.749 20.599 ( 0.144 -8.435 -9.672) 12.835 20.711 ( -0.473 -14.129 0.392) 14.143 21.174 ( 5.352 -1.448 -4.704) 7.272 21.407 ( 13.858 0.592 4.735) 14.656 21.741 ( 7.813 -8.399 -2.600) 11.763 21.799 ( -11.077 4.993 -4.579) 12.984 21.930 ( 5.912 -9.748 -1.409) 11.488 22.294 ( -4.892 -1.488 3.197) 6.031 22.510 ( -0.591 -9.480 -2.966) 9.951 22.780 ( 5.814 -7.655 2.186) 9.858 23.099 ( 1.118 22.837 4.353) 23.276 23.236 ( 3.336 16.781 4.381) 17.662 23.630 ( -2.400 17.544 -5.631) 18.581 24.010 ( 0.771 13.597 -1.030) 13.657 24.153 ( 8.473 15.988 -2.838) 18.316 24.389 ( -0.215 -1.672 0.175) 1.694 24.637 ( -1.716 6.684 -8.622) 11.043 24.694 ( 0.138 -1.484 -3.370) 3.684 25.852 ( 3.361 -2.169 5.348) 6.678 25.895 ( -3.146 1.395 2.585) 4.305 26.166 ( 2.621 -3.372 0.286) 4.281 26.266 ( -0.026 -5.130 -3.747) 6.353 26.606 ( 1.102 3.253 0.832) 3.534 26.736 ( -3.331 10.585 -2.985) 11.491 27.051 ( 2.753 -8.046 7.726) 11.490 27.169 ( -10.449 2.853 0.933) 10.872 27.398 ( -11.121 8.980 19.431) 24.123 27.641 ( -8.781 -5.650 -0.130) 10.442 27.698 ( -6.851 -12.637 1.139) 14.420 27.985 ( -1.620 -4.817 5.888) 7.778 28.526 ( 5.987 4.548 10.380) 12.817 28.573 ( -4.235 4.433 1.430) 6.295 28.742 ( 4.780 5.957 3.568) 8.430 29.029 ( 2.196 0.634 -0.886) 2.452 29.149 ( 4.896 -4.025 -12.551) 14.061 29.261 ( 3.011 -5.306 -10.874) 12.468 29.276 ( -1.555 -6.460 -1.976) 6.932 29.497 ( 6.559 -8.435 -4.975) 11.786 29.702 ( -6.065 9.069 -3.930) 11.596 29.980 ( -1.329 0.581 0.693) 1.608 30.111 ( 2.080 1.269 -4.187) 4.844 30.304 ( -0.608 -2.442 -4.046) 4.765 30.531 ( 1.227 -0.131 -1.788) 2.173 30.553 ( 5.898 -1.867 4.240) 7.499 30.665 ( 8.520 0.671 6.372) 10.661 30.869 ( -2.935 0.306 1.528) 3.323 31.019 ( 1.901 4.119 0.521) 4.567 31.147 ( 17.059 -9.207 -2.733) 19.576 31.379 ( -0.559 -4.365 3.298) 5.499 31.456 ( 2.102 -1.856 -3.649) 4.602 31.883 ( -0.201 -8.043 5.182) 9.570 31.954 ( -1.461 -6.624 -0.107) 6.784 32.250 ( -1.703 4.747 2.680) 5.711 32.682 ( -0.190 -8.774 -1.483) 8.901 33.925 ( 1.131 3.303 4.154) 5.427 34.090 ( -3.985 3.917 -2.926) 6.308 34.411 ( -0.832 -10.996 1.203) 11.093 34.534 ( 0.049 -8.905 2.163) 9.164 38.576 ( 3.657 32.966 3.216) 33.324 38.782 ( -7.945 34.337 -9.463) 36.492 39.434 ( -1.318 14.432 0.514) 14.502 39.505 ( 0.976 14.182 2.072) 14.366 40.527 ( 2.043 -1.501 0.001) 2.535 40.630 ( 1.373 -2.935 -1.161) 3.442 40.810 ( -0.966 2.176 -1.367) 2.745 40.967 ( -1.837 0.910 -2.992) 3.627 41.857 ( -1.018 -4.764 -0.074) 4.872 42.090 ( -0.973 -5.791 0.256) 5.877 42.179 ( 1.507 -10.031 4.651) 11.159 42.242 ( -1.337 -4.805 1.720) 5.276 43.792 ( 7.096 -2.950 -0.250) 7.689 43.838 ( 5.048 -0.109 -0.353) 5.061 44.181 ( -3.669 -11.759 -0.344) 12.323 44.232 ( -3.615 -10.701 0.630) 11.313 45.053 ( -0.163 12.705 1.891) 12.846 45.073 ( -3.845 14.048 -4.138) 15.141 45.170 ( 2.418 13.999 1.075) 14.247 45.295 ( -0.731 13.337 -3.047) 13.700 45.528 ( -3.363 20.803 -2.860) 21.266 45.724 ( 1.037 16.910 -7.753) 18.632 46.380 ( -17.160 -2.619 8.354) 19.265 46.530 ( -4.750 -5.106 1.385) 7.110 46.950 ( 3.125 1.381 0.802) 3.510 47.191 ( -0.393 -4.732 -1.568) 5.000 47.402 ( -6.605 -3.604 -2.325) 7.875 47.631 ( -0.450 -8.937 1.691) 9.106 47.710 ( -1.565 -5.088 3.640) 6.448 48.056 ( -3.687 0.784 -0.320) 3.784 48.095 ( -3.273 -10.312 -6.094) 12.417 48.401 ( 0.682 -7.361 3.554) 8.202 49.613 ( 4.604 1.526 -0.276) 4.858 49.814 ( 2.378 -0.750 2.525) 3.548 49.916 ( 6.214 -3.297 -2.575) 7.491 50.093 ( 4.885 -11.041 2.532) 12.336 52.344 ( 5.301 2.884 -0.449) 6.051 52.416 ( 2.767 4.241 -0.878) 5.139 52.594 ( 2.091 -3.071 0.492) 3.748 52.702 ( 0.921 -3.267 -0.957) 3.527 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 12.911 15.016 17.729) 26.580 2.831 ( 8.387 27.696 6.082) 29.570 3.064 ( -6.800 5.161 -7.782) 11.551 3.132 ( -4.350 13.097 -9.166) 16.568 3.347 ( 2.173 23.188 -11.504) 25.976 3.385 ( -3.604 11.893 3.705) 12.968 3.514 ( 1.041 13.457 -4.936) 14.371 3.617 ( -1.411 20.122 -4.211) 20.606 3.830 ( -0.196 7.360 -2.087) 7.653 3.944 ( -4.333 6.967 1.341) 8.314 4.030 ( -8.153 1.480 -4.917) 9.635 4.228 ( 7.586 7.287 5.876) 12.049 4.301 ( -7.918 1.354 7.967) 11.314 4.409 ( 5.436 0.483 5.812) 7.972 4.550 ( -0.209 4.950 6.786) 8.402 4.744 ( 10.681 6.855 12.837) 18.052 4.784 ( 1.863 -1.100 6.009) 6.386 5.086 ( -1.343 -3.354 1.632) 3.965 5.185 ( 2.828 -8.766 -2.750) 9.612 5.325 ( 4.538 -0.889 -6.749) 8.181 5.358 ( -0.835 -2.224 7.213) 7.594 5.559 ( -0.860 -5.541 0.761) 5.659 5.612 ( 2.244 -6.008 2.208) 6.783 5.785 ( -1.281 -2.327 0.294) 2.673 5.884 ( -2.274 6.249 -1.397) 6.795 5.908 ( -0.619 -7.060 -0.639) 7.116 6.070 ( 1.866 -3.332 1.595) 4.138 6.222 ( -6.338 -5.278 -0.311) 8.254 6.647 ( -10.341 -0.377 -9.057) 13.751 6.889 ( -6.089 -2.736 -13.031) 14.641 7.068 ( 1.351 -3.361 -6.793) 7.698 7.113 ( 1.263 -1.393 -4.097) 4.507 7.198 ( 0.535 -4.039 2.946) 5.028 7.370 ( -2.973 -9.098 -4.659) 10.645 7.440 ( 0.960 -3.645 -3.008) 4.822 7.513 ( -0.480 -12.985 2.301) 13.197 7.723 ( 2.180 1.060 3.805) 4.511 7.898 ( 1.209 -3.669 1.391) 4.106 7.992 ( -5.852 -0.938 -6.099) 8.505 8.033 ( -6.902 -1.419 -4.472) 8.346 8.442 ( 4.362 3.558 4.321) 7.096 8.577 ( 0.890 -0.028 4.979) 5.058 8.914 ( 5.746 -1.377 -0.682) 5.948 8.970 ( -1.742 -2.117 5.077) 5.770 9.537 ( 4.550 8.821 -1.359) 10.018 9.619 ( 0.575 6.579 1.339) 6.738 9.906 ( 3.455 4.980 0.337) 6.071 10.148 ( 1.377 -0.822 1.576) 2.249 12.511 ( -2.206 8.021 -5.246) 9.834 12.917 ( 7.818 0.617 -0.200) 7.845 13.318 ( -3.489 8.642 2.354) 9.613 13.710 ( 1.202 0.480 1.491) 1.975 13.833 ( -2.840 4.484 2.903) 6.050 13.914 ( 11.724 0.597 15.366) 19.337 14.638 ( 7.778 0.584 9.466) 12.265 14.845 ( -6.219 -4.336 -1.075) 7.657 15.751 ( 0.110 -0.610 -14.051) 14.065 16.225 ( -13.714 -6.916 -18.335) 23.919 16.859 ( -3.524 5.431 -0.959) 6.545 16.920 ( -5.943 7.252 -4.795) 10.531 17.500 ( 2.249 2.318 -2.363) 4.002 18.020 ( 0.680 -14.383 4.393) 15.054 18.068 ( 6.807 -1.856 1.496) 7.213 18.255 ( 2.316 -4.209 4.703) 6.723 18.674 ( -2.015 -2.991 -1.925) 4.088 18.744 ( -0.887 3.902 5.981) 7.196 18.964 ( -1.229 -0.774 4.338) 4.574 19.235 ( -5.498 4.771 2.947) 7.853 19.970 ( 2.092 -2.245 1.394) 3.370 20.228 ( 2.271 4.366 0.912) 5.005 20.483 ( 0.976 -7.250 -8.496) 11.212 20.736 ( 1.059 -11.524 1.745) 11.704 21.177 ( 1.623 -1.080 -2.109) 2.872 21.541 ( -9.502 5.491 -7.819) 13.475 21.671 ( 12.253 -7.908 3.133) 14.916 21.775 ( 1.958 -12.338 -2.292) 12.701 22.045 ( 6.859 -7.218 0.617) 9.976 22.245 ( -5.328 2.415 1.715) 6.096 22.454 ( -1.480 -10.497 -2.459) 10.883 22.857 ( 2.334 -3.532 -0.155) 4.236 23.207 ( 3.070 19.602 7.369) 21.165 23.333 ( 1.837 18.519 3.874) 19.009 23.518 ( -0.979 20.943 -8.167) 22.500 24.037 ( 0.128 12.709 3.815) 13.269 24.230 ( 6.816 15.417 -4.303) 17.398 24.400 ( -0.875 -0.879 2.709) 2.980 24.527 ( -1.014 7.104 -6.162) 9.459 24.683 ( 1.267 -1.760 -0.777) 2.304 25.870 ( -2.007 3.614 0.598) 4.177 25.971 ( 3.344 -2.827 4.739) 6.452 26.176 ( -0.064 -7.214 -1.270) 7.325 26.224 ( 0.203 -4.016 -2.883) 4.948 26.612 ( -2.794 7.722 -1.146) 8.291 26.666 ( -0.208 7.789 -0.036) 7.792 27.013 ( -5.154 -4.559 -1.529) 7.049 27.219 ( 2.209 -3.381 8.433) 9.350 27.474 ( -3.496 5.868 7.561) 10.189 27.515 ( -8.568 -0.258 3.056) 9.100 27.618 ( -4.254 -16.663 0.803) 17.216 28.031 ( -1.404 -3.955 4.772) 6.355 28.505 ( -4.182 5.170 -0.695) 6.686 28.722 ( 0.478 6.337 12.088) 13.657 28.821 ( 4.962 8.207 -5.324) 10.969 29.037 ( 3.017 -0.194 -4.458) 5.387 29.104 ( 3.443 -3.351 -3.044) 5.688 29.185 ( 0.994 -4.999 -3.655) 6.272 29.274 ( 1.837 -3.329 -1.499) 4.087 29.410 ( -6.592 3.741 -0.778) 7.620 29.667 ( 5.775 1.414 -8.141) 10.081 29.885 ( -6.080 2.526 -3.324) 7.375 30.084 ( 0.993 -3.615 -1.530) 4.049 30.255 ( -1.616 -3.237 -2.019) 4.143 30.428 ( -2.512 1.318 -3.765) 4.714 30.738 ( 4.856 1.973 2.471) 5.795 30.852 ( 4.029 -3.230 -0.908) 5.243 30.930 ( 5.312 -0.632 13.606) 14.620 31.025 ( 0.910 3.763 -1.708) 4.231 31.284 ( 5.639 -7.981 -8.232) 12.778 31.447 ( 1.033 -7.292 2.066) 7.649 31.478 ( 7.156 -5.155 1.138) 8.893 31.867 ( -6.952 -6.837 3.348) 10.309 31.968 ( 2.437 -7.896 -0.806) 8.302 32.264 ( -0.816 3.125 2.619) 4.158 32.653 ( -0.720 -8.798 -1.631) 8.977 33.947 ( -1.861 3.383 -0.513) 3.895 34.033 ( -0.734 4.521 0.913) 4.670 34.405 ( -0.842 -11.418 0.322) 11.454 34.567 ( 0.495 -10.960 2.007) 11.153 38.590 ( -4.113 37.674 -4.523) 38.167 38.675 ( 2.863 33.221 2.216) 33.417 39.415 ( -1.219 13.596 -0.099) 13.651 39.539 ( 0.651 13.912 1.135) 13.973 40.548 ( 1.072 -0.932 -0.513) 1.511 40.621 ( -0.061 -3.105 -1.395) 3.405 40.799 ( 1.134 1.824 -0.057) 2.148 40.905 ( -1.976 1.321 -2.510) 3.457 41.823 ( -1.958 -0.835 -0.640) 2.223 42.093 ( 0.323 -6.103 0.493) 6.131 42.243 ( -0.444 -4.664 1.211) 4.839 42.270 ( 1.277 -11.046 4.558) 12.018 43.899 ( 7.031 -5.428 -0.506) 8.897 43.916 ( 5.405 -2.938 -0.366) 6.163 44.111 ( -4.796 -10.344 -0.366) 11.408 44.175 ( -4.516 -9.900 0.525) 10.894 44.968 ( -3.059 15.141 -2.465) 15.643 45.087 ( 0.737 13.834 1.458) 13.930 45.211 ( 0.001 14.292 1.433) 14.364 45.248 ( 1.408 14.932 -3.670) 15.441 45.483 ( -1.231 19.467 0.104) 19.506 45.670 ( 0.437 17.619 -3.264) 17.924 46.251 ( -9.165 -3.531 3.593) 10.458 46.484 ( -3.095 -7.252 1.089) 7.960 47.021 ( 4.585 0.980 0.977) 4.789 47.161 ( -0.946 -2.523 -1.580) 3.124 47.275 ( -6.511 -1.877 -1.401) 6.920 47.648 ( -0.752 -10.583 2.348) 10.867 47.746 ( 0.835 -9.033 2.469) 9.402 47.965 ( -5.346 -9.758 -2.404) 11.383 48.013 ( -0.388 0.874 -2.441) 2.621 48.440 ( -0.324 -7.936 2.329) 8.277 49.669 ( 2.876 1.647 -0.224) 3.322 49.878 ( 2.254 -1.407 1.633) 3.119 49.964 ( 3.467 -2.334 -1.931) 4.604 50.158 ( 1.622 -10.036 0.611) 10.185 52.400 ( 2.770 2.889 -0.623) 4.050 52.450 ( 2.284 3.474 -0.171) 4.161 52.627 ( 1.388 -2.825 0.279) 3.160 52.702 ( 0.554 -3.019 -0.802) 3.172 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.000 11.832 0.000) 11.832 2.925 ( 0.000 22.536 -0.000) 22.536 2.947 ( -0.000 1.536 0.000) 1.536 3.014 ( 0.000 12.069 0.000) 12.069 3.290 ( 0.000 39.404 0.000) 39.404 3.363 ( -0.000 12.537 0.000) 12.537 3.479 ( 0.000 14.149 0.000) 14.149 3.610 ( 0.000 25.177 0.000) 25.177 3.841 ( 0.000 4.487 0.000) 4.487 3.849 ( 0.000 12.232 -0.000) 12.232 3.931 ( 0.000 -0.980 0.000) 0.980 4.153 ( 0.000 -2.234 0.000) 2.234 4.405 ( 0.000 4.250 -0.000) 4.250 4.494 ( 0.000 -1.128 0.000) 1.128 4.541 ( 0.000 5.254 0.000) 5.254 4.865 ( 0.000 -9.180 0.000) 9.180 4.988 ( 0.000 6.647 0.000) 6.647 5.148 ( 0.000 -8.886 0.000) 8.886 5.164 ( -0.000 -10.371 0.000) 10.371 5.374 ( 0.000 1.582 0.000) 1.582 5.413 ( 0.000 0.348 0.000) 0.348 5.558 ( 0.000 -6.497 0.000) 6.497 5.694 ( 0.000 -2.828 0.000) 2.828 5.730 ( 0.000 -3.738 0.000) 3.738 5.845 ( 0.000 10.847 0.000) 10.847 5.901 ( 0.000 -3.373 0.000) 3.373 6.083 ( 0.000 -3.727 0.000) 3.727 6.177 ( 0.000 -7.900 0.000) 7.900 6.475 ( 0.000 2.491 0.000) 2.491 6.720 ( 0.000 -2.189 0.000) 2.189 7.039 ( 0.000 -6.522 0.000) 6.522 7.090 ( 0.000 2.261 0.000) 2.261 7.245 ( 0.000 -8.251 0.000) 8.251 7.290 ( 0.000 -5.533 0.000) 5.533 7.423 ( 0.000 -3.400 0.000) 3.400 7.525 ( 0.000 -13.246 0.000) 13.246 7.765 ( 0.000 0.683 0.000) 0.683 7.914 ( 0.000 -2.265 0.000) 2.265 7.919 ( 0.000 -1.815 -0.000) 1.815 7.939 ( 0.000 -2.407 0.000) 2.407 8.506 ( 0.000 3.100 0.000) 3.100 8.617 ( 0.000 0.126 0.000) 0.126 8.964 ( 0.000 -1.796 -0.000) 1.796 8.979 ( -0.000 -1.932 0.000) 1.932 9.567 ( 0.000 7.958 -0.000) 7.958 9.630 ( 0.000 6.799 0.000) 6.799 9.935 ( 0.000 5.132 0.000) 5.132 10.169 ( 0.000 -0.718 0.000) 0.718 12.459 ( 0.000 8.355 0.000) 8.355 12.970 ( 0.000 -5.252 0.000) 5.252 13.310 ( -0.000 14.031 0.000) 14.031 13.724 ( 0.000 6.015 0.000) 6.015 13.828 ( 0.000 0.556 0.000) 0.556 14.158 ( 0.000 -6.302 -0.000) 6.302 14.749 ( 0.000 3.831 0.000) 3.831 14.782 ( -0.000 2.903 0.000) 2.903 15.725 ( 0.000 -4.788 0.000) 4.788 15.911 ( 0.000 -8.898 0.000) 8.898 16.807 ( 0.000 9.194 -0.000) 9.194 16.857 ( 0.000 5.716 0.000) 5.716 17.504 ( 0.000 0.769 0.000) 0.769 18.031 ( 0.000 -9.045 0.000) 9.045 18.160 ( 0.000 -5.796 0.000) 5.796 18.331 ( 0.000 -6.013 0.000) 6.013 18.594 ( 0.000 -4.600 0.000) 4.600 18.787 ( 0.000 3.411 0.000) 3.411 19.007 ( 0.000 3.369 0.000) 3.369 19.188 ( 0.000 9.508 0.000) 9.508 20.023 ( 0.000 -9.214 0.000) 9.214 20.232 ( 0.000 0.584 0.000) 0.584 20.444 ( 0.000 -4.070 0.000) 4.070 20.759 ( 0.000 -10.808 0.000) 10.808 21.180 ( 0.000 -0.252 0.000) 0.252 21.399 ( 0.000 6.293 0.000) 6.293 21.763 ( 0.000 -14.319 0.000) 14.319 21.812 ( 0.000 -13.168 0.000) 13.168 22.106 ( 0.000 -7.658 0.000) 7.658 22.202 ( 0.000 7.601 0.000) 7.601 22.424 ( 0.000 -10.893 0.000) 10.893 22.868 ( 0.000 -0.886 0.000) 0.886 23.308 ( 0.000 17.214 0.000) 17.214 23.396 ( -0.000 16.056 -0.000) 16.056 23.410 ( 0.000 25.128 0.000) 25.128 24.071 ( 0.000 12.627 0.000) 12.627 24.254 ( 0.000 15.523 0.000) 15.523 24.417 ( 0.000 -5.708 -0.000) 5.708 24.471 ( 0.000 11.915 0.000) 11.915 24.692 ( 0.000 -1.637 0.000) 1.637 25.857 ( 0.000 4.381 0.000) 4.381 26.036 ( 0.000 -2.998 0.000) 2.998 26.160 ( 0.000 -9.852 0.000) 9.852 26.206 ( 0.000 -3.244 0.000) 3.244 26.567 ( 0.000 10.258 0.000) 10.258 26.676 ( 0.000 6.291 0.000) 6.291 26.962 ( 0.000 -4.327 0.000) 4.327 27.346 ( -0.000 -6.234 -0.000) 6.234 27.373 ( 0.000 -2.465 0.000) 2.465 27.534 ( 0.000 9.587 0.000) 9.587 27.593 ( 0.000 -16.989 -0.000) 16.989 28.051 ( 0.000 -4.023 0.000) 4.023 28.462 ( 0.000 4.978 0.000) 4.978 28.804 ( 0.000 5.931 -0.000) 5.931 28.815 ( -0.000 7.385 0.000) 7.385 29.021 ( 0.000 1.202 0.000) 1.202 29.109 ( 0.000 -4.168 0.000) 4.168 29.199 ( 0.000 0.797 0.000) 0.797 29.277 ( 0.000 5.207 0.000) 5.207 29.365 ( 0.000 -5.609 0.000) 5.609 29.648 ( 0.000 2.921 0.000) 2.921 29.800 ( 0.000 2.834 0.000) 2.834 30.095 ( 0.000 -5.112 -0.000) 5.112 30.220 ( 0.000 -4.670 0.000) 4.670 30.384 ( 0.000 2.052 0.000) 2.052 30.778 ( 0.000 6.114 0.000) 6.114 30.893 ( 0.000 -10.332 0.000) 10.332 31.016 ( 0.000 5.895 0.000) 5.895 31.131 ( 0.000 4.130 -0.000) 4.130 31.203 ( 0.000 -11.046 0.000) 11.046 31.456 ( 0.000 -6.114 0.000) 6.114 31.578 ( 0.000 -8.182 0.000) 8.182 31.817 ( 0.000 -5.840 0.000) 5.840 31.981 ( 0.000 -8.352 0.000) 8.352 32.278 ( 0.000 1.598 0.000) 1.598 32.634 ( 0.000 -8.343 0.000) 8.343 33.919 ( 0.000 4.269 0.000) 4.269 34.041 ( 0.000 4.064 0.000) 4.064 34.400 ( 0.000 -11.718 0.000) 11.718 34.585 ( 0.000 -11.705 0.000) 11.705 38.528 ( 0.000 38.709 0.000) 38.709 38.717 ( 0.000 33.079 0.000) 33.079 39.403 ( 0.000 12.982 -0.000) 12.982 39.551 ( 0.000 13.798 0.000) 13.798 40.551 ( 0.000 -0.374 0.000) 0.374 40.609 ( 0.000 -2.758 0.000) 2.758 40.831 ( 0.000 -1.211 0.000) 1.211 40.853 ( -0.000 3.895 -0.000) 3.895 41.802 ( 0.000 0.212 0.000) 0.212 42.100 ( 0.000 -5.744 0.000) 5.744 42.246 ( 0.000 -4.520 0.000) 4.520 42.312 ( 0.000 -11.430 0.000) 11.430 43.961 ( 0.000 -4.078 0.000) 4.078 43.976 ( 0.000 -7.140 0.000) 7.140 44.049 ( 0.000 -9.213 0.000) 9.213 44.133 ( 0.000 -9.284 0.000) 9.284 44.928 ( 0.000 15.340 0.000) 15.340 45.103 ( 0.000 14.378 0.000) 14.378 45.208 ( 0.000 14.349 0.000) 14.349 45.248 ( 0.000 15.353 0.000) 15.353 45.476 ( 0.000 18.965 0.000) 18.965 45.654 ( 0.000 17.631 0.000) 17.631 46.201 ( 0.000 -4.009 0.000) 4.009 46.466 ( 0.000 -8.176 0.000) 8.176 47.099 ( 0.000 0.937 0.000) 0.937 47.118 ( 0.000 -1.313 0.000) 1.313 47.204 ( 0.000 -1.831 0.000) 1.831 47.658 ( 0.000 -11.399 0.000) 11.399 47.778 ( 0.000 -10.786 0.000) 10.786 47.896 ( 0.000 -9.745 0.000) 9.745 47.995 ( 0.000 1.967 0.000) 1.967 48.451 ( 0.000 -8.107 0.000) 8.107 49.690 ( 0.000 1.616 0.000) 1.616 49.909 ( 0.000 -2.146 0.000) 2.146 49.976 ( 0.000 -1.566 0.000) 1.566 50.172 ( 0.000 -9.382 0.000) 9.382 52.416 ( 0.000 3.087 0.000) 3.087 52.469 ( 0.000 2.944 0.000) 2.944 52.639 ( 0.000 -2.731 0.000) 2.731 52.701 ( 0.000 -2.867 0.000) 2.867 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 26.611 0.000) 26.611 2.063 ( 0.000 28.201 0.000) 28.201 2.243 ( 0.000 -20.947 0.000) 20.947 2.612 ( 0.000 -23.516 0.000) 23.516 3.726 ( 0.000 14.708 0.000) 14.708 3.871 ( 0.000 -1.664 0.000) 1.664 4.044 ( 0.000 28.186 0.000) 28.186 4.232 ( 0.000 16.880 0.000) 16.880 4.337 ( 0.000 4.694 0.000) 4.694 4.379 ( 0.000 10.389 0.000) 10.389 4.381 ( 0.000 3.640 0.000) 3.640 4.434 ( 0.000 9.113 0.000) 9.113 4.542 ( 0.000 9.796 0.000) 9.796 4.558 ( 0.000 0.509 0.000) 0.509 4.608 ( 0.000 11.220 0.000) 11.220 4.869 ( 0.000 -10.352 0.000) 10.352 4.945 ( 0.000 -5.830 0.000) 5.830 5.029 ( 0.000 -2.336 0.000) 2.336 5.137 ( 0.000 -1.152 0.000) 1.152 5.236 ( 0.000 -0.376 0.000) 0.376 5.265 ( 0.000 -16.290 0.000) 16.290 5.322 ( 0.000 0.916 0.000) 0.916 5.437 ( 0.000 -13.469 0.000) 13.469 5.501 ( 0.000 -9.879 0.000) 9.879 5.620 ( 0.000 1.196 0.000) 1.196 5.626 ( 0.000 -0.528 0.000) 0.528 6.665 ( 0.000 7.257 0.000) 7.257 6.773 ( 0.000 -2.586 0.000) 2.586 6.935 ( 0.000 -2.645 0.000) 2.645 6.937 ( 0.000 -2.566 0.000) 2.566 7.039 ( 0.000 0.595 0.000) 0.595 7.058 ( 0.000 -6.652 0.000) 6.652 7.079 ( 0.000 -4.422 0.000) 4.422 7.129 ( 0.000 -3.629 0.000) 3.629 7.441 ( 0.000 -0.700 0.000) 0.700 7.446 ( 0.000 -1.848 0.000) 1.848 7.707 ( 0.000 1.236 0.000) 1.236 7.764 ( 0.000 -3.939 0.000) 3.939 8.170 ( 0.000 5.059 0.000) 5.059 8.249 ( 0.000 -2.529 0.000) 2.529 8.458 ( 0.000 2.624 0.000) 2.624 8.509 ( 0.000 -1.837 0.000) 1.837 8.668 ( 0.000 2.381 0.000) 2.381 8.740 ( 0.000 -4.009 0.000) 4.009 9.600 ( 0.000 4.380 0.000) 4.380 9.621 ( 0.000 3.533 0.000) 3.533 9.800 ( 0.000 7.628 0.000) 7.628 9.957 ( 0.000 -6.012 0.000) 6.012 12.699 ( 0.000 13.595 0.000) 13.595 12.938 ( 0.000 -8.290 0.000) 8.290 13.078 ( 0.000 10.463 0.000) 10.463 13.320 ( 0.000 -10.771 0.000) 10.771 13.753 ( 0.000 10.124 0.000) 10.124 14.024 ( 0.000 -14.063 0.000) 14.063 14.278 ( 0.000 24.513 0.000) 24.513 14.774 ( 0.000 -20.992 0.000) 20.992 16.688 ( 0.000 8.600 0.000) 8.600 16.907 ( 0.000 -8.996 0.000) 8.996 16.962 ( 0.000 7.882 0.000) 7.882 17.026 ( 0.000 -0.318 0.000) 0.318 17.644 ( 0.000 -1.565 0.000) 1.565 17.675 ( 0.000 0.175 0.000) 0.175 17.855 ( 0.000 -0.750 0.000) 0.750 18.008 ( 0.000 -10.437 0.000) 10.437 18.526 ( 0.000 3.773 0.000) 3.773 18.619 ( 0.000 -5.051 0.000) 5.051 18.941 ( 0.000 4.348 0.000) 4.348 19.091 ( 0.000 -8.443 0.000) 8.443 20.314 ( 0.000 7.179 0.000) 7.179 20.320 ( 0.000 4.748 0.000) 4.748 20.529 ( 0.000 -6.429 0.000) 6.429 20.564 ( 0.000 -7.138 0.000) 7.138 21.057 ( 0.000 8.251 0.000) 8.251 21.244 ( 0.000 -9.604 0.000) 9.604 21.463 ( 0.000 12.276 0.000) 12.276 21.728 ( 0.000 -12.152 0.000) 12.152 22.170 ( 0.000 8.517 0.000) 8.517 22.365 ( 0.000 3.291 0.000) 3.291 22.369 ( 0.000 -9.264 0.000) 9.264 22.453 ( 0.000 -5.256 0.000) 5.256 23.432 ( 0.000 11.857 0.000) 11.857 23.434 ( 0.000 11.314 0.000) 11.314 23.861 ( 0.000 5.780 0.000) 5.780 24.055 ( 0.000 -9.153 0.000) 9.153 24.363 ( 0.000 7.787 0.000) 7.787 24.393 ( 0.000 4.322 0.000) 4.322 24.791 ( 0.000 3.380 0.000) 3.380 24.931 ( 0.000 -8.622 0.000) 8.622 25.684 ( 0.000 2.194 0.000) 2.194 25.720 ( 0.000 -1.457 0.000) 1.457 26.171 ( 0.000 3.082 0.000) 3.082 26.228 ( 0.000 -2.876 0.000) 2.876 26.628 ( 0.000 1.524 0.000) 1.524 26.696 ( 0.000 -4.632 0.000) 4.632 27.125 ( 0.000 14.955 0.000) 14.955 27.446 ( 0.000 -14.792 0.000) 14.792 27.532 ( 0.000 8.839 0.000) 8.839 27.587 ( 0.000 7.428 0.000) 7.428 27.739 ( 0.000 -10.134 0.000) 10.134 27.757 ( 0.000 -7.811 0.000) 7.811 28.299 ( 0.000 2.714 0.000) 2.714 28.354 ( 0.000 -2.827 0.000) 2.827 28.875 ( 0.000 10.580 0.000) 10.580 29.055 ( 0.000 1.039 0.000) 1.039 29.070 ( 0.000 -0.333 0.000) 0.333 29.085 ( 0.000 -8.842 0.000) 8.842 29.454 ( 0.000 4.681 0.000) 4.681 29.572 ( 0.000 -6.123 0.000) 6.123 29.702 ( 0.000 1.042 0.000) 1.042 29.732 ( 0.000 -1.806 0.000) 1.806 30.145 ( 0.000 6.655 0.000) 6.655 30.285 ( 0.000 -6.276 0.000) 6.276 30.523 ( 0.000 0.432 0.000) 0.432 30.526 ( 0.000 0.623 0.000) 0.623 30.565 ( 0.000 4.666 0.000) 4.666 30.659 ( 0.000 -4.013 0.000) 4.013 31.092 ( 0.000 6.819 0.000) 6.819 31.150 ( 0.000 1.952 0.000) 1.952 31.351 ( 0.000 1.243 0.000) 1.243 31.475 ( 0.000 -10.247 0.000) 10.247 31.675 ( 0.000 6.278 0.000) 6.278 31.819 ( 0.000 -7.436 0.000) 7.436 32.377 ( 0.000 6.904 0.000) 6.904 32.533 ( 0.000 -7.744 0.000) 7.744 33.956 ( 0.000 8.447 0.000) 8.447 34.161 ( 0.000 -10.661 0.000) 10.661 34.289 ( 0.000 4.050 0.000) 4.050 34.392 ( 0.000 -5.557 0.000) 5.557 39.115 ( 0.000 25.602 0.000) 25.602 39.452 ( 0.000 -5.507 0.000) 5.507 39.629 ( 0.000 14.588 0.000) 14.588 39.731 ( 0.000 5.820 0.000) 5.820 40.491 ( 0.000 3.020 0.000) 3.020 40.581 ( 0.000 -2.348 0.000) 2.348 40.891 ( 0.000 2.020 0.000) 2.020 40.997 ( 0.000 -5.868 0.000) 5.868 41.693 ( 0.000 1.797 0.000) 1.797 41.853 ( 0.000 -10.414 0.000) 10.414 42.119 ( 0.000 -1.573 0.000) 1.573 42.153 ( 0.000 -3.778 0.000) 3.778 43.755 ( 0.000 7.445 0.000) 7.445 43.859 ( 0.000 6.860 0.000) 6.860 43.969 ( 0.000 -12.270 0.000) 12.270 44.044 ( 0.000 -10.387 0.000) 10.387 45.235 ( 0.000 7.545 0.000) 7.545 45.291 ( 0.000 3.070 0.000) 3.070 45.471 ( 0.000 6.868 0.000) 6.868 45.507 ( 0.000 4.874 0.000) 4.874 46.088 ( 0.000 19.186 0.000) 19.186 46.097 ( 0.000 10.969 0.000) 10.969 46.424 ( 0.000 -15.212 0.000) 15.212 46.471 ( 0.000 -12.740 0.000) 12.740 46.996 ( 0.000 8.128 0.000) 8.128 47.169 ( 0.000 0.812 0.000) 0.812 47.258 ( 0.000 -7.199 0.000) 7.199 47.428 ( 0.000 -11.931 0.000) 11.931 47.988 ( 0.000 5.982 0.000) 5.982 48.089 ( 0.000 -3.552 0.000) 3.552 48.149 ( 0.000 -0.035 0.000) 0.035 48.183 ( 0.000 -3.498 0.000) 3.498 49.548 ( 0.000 2.649 0.000) 2.649 49.626 ( 0.000 -4.604 0.000) 4.604 49.746 ( 0.000 2.308 0.000) 2.308 49.814 ( 0.000 -3.780 0.000) 3.780 52.335 ( 0.000 5.912 0.000) 5.912 52.452 ( 0.000 -5.018 0.000) 5.018 52.494 ( 0.000 5.604 0.000) 5.604 52.607 ( 0.000 -4.940 0.000) 4.940 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 21.788 19.670 17.752) 34.304 2.162 ( 8.906 25.230 16.172) 31.263 2.555 ( 19.761 -15.420 15.894) 29.680 2.710 ( 6.094 -22.455 12.281) 26.309 3.766 ( 3.259 10.302 0.593) 10.822 3.877 ( 0.326 -0.121 -0.966) 1.027 4.015 ( -8.548 14.262 -8.051) 18.474 4.065 ( -9.452 8.112 -13.975) 18.720 4.163 ( -4.829 11.928 -10.105) 16.361 4.278 ( -0.938 14.219 -5.372) 15.229 4.321 ( -0.734 8.418 -0.266) 8.454 4.393 ( -2.746 17.345 -0.526) 17.569 4.506 ( -3.149 9.111 0.201) 9.642 4.577 ( -2.431 9.008 0.706) 9.357 4.625 ( 3.537 4.278 -1.096) 5.658 4.867 ( -0.254 -14.484 -1.076) 14.527 4.900 ( -9.317 2.954 2.252) 10.031 5.035 ( -6.544 -3.341 1.069) 7.425 5.083 ( -0.819 -5.016 1.329) 5.253 5.185 ( -2.882 -3.656 -3.039) 5.559 5.279 ( -0.574 -10.432 2.065) 10.650 5.407 ( -1.359 -16.712 3.053) 17.043 5.488 ( 4.947 -0.683 5.215) 7.220 5.527 ( -0.882 -2.809 0.622) 3.009 5.618 ( 2.275 -0.624 1.690) 2.902 5.652 ( 3.103 -3.386 3.151) 5.570 6.514 ( -9.101 8.446 -8.764) 15.198 6.641 ( -9.395 -2.410 -7.150) 12.049 6.902 ( -2.512 -4.495 -2.624) 5.779 6.918 ( -0.811 -5.214 -1.054) 5.381 7.041 ( -0.573 -1.625 4.267) 4.602 7.091 ( 1.106 -5.237 1.102) 5.465 7.166 ( 6.807 -0.003 2.758) 7.344 7.217 ( 9.058 -3.734 -1.724) 9.948 7.405 ( 1.695 0.445 -9.271) 9.435 7.431 ( 0.786 -2.413 -4.989) 5.598 7.679 ( -1.821 1.412 -0.655) 2.396 7.750 ( -1.784 -4.786 1.224) 5.253 8.204 ( 1.275 4.360 3.269) 5.597 8.274 ( -0.553 -2.359 3.132) 3.960 8.419 ( -3.429 2.496 -1.686) 4.565 8.466 ( -3.059 -1.542 -2.303) 4.128 8.717 ( 3.310 1.770 3.148) 4.899 8.774 ( 1.785 -3.245 3.327) 4.979 9.611 ( 2.410 5.159 -1.047) 5.789 9.642 ( 1.938 2.675 0.509) 3.342 9.844 ( 3.567 6.788 1.963) 7.915 9.982 ( 1.904 -5.337 1.492) 5.860 12.763 ( 5.534 11.299 1.896) 12.723 12.905 ( 0.378 0.769 -5.829) 5.891 13.160 ( 2.546 1.555 9.450) 9.910 13.322 ( -1.812 -9.613 4.059) 10.591 13.772 ( 3.312 10.765 -1.033) 11.310 14.025 ( 1.787 -10.183 -2.781) 10.706 14.296 ( 0.616 19.643 3.538) 19.969 14.735 ( -4.128 -18.875 0.143) 19.321 16.547 ( -7.722 11.488 -12.039) 18.345 16.788 ( -2.437 -7.078 -14.120) 15.981 16.975 ( -3.099 2.696 5.100) 6.548 17.086 ( 1.636 -4.390 3.762) 6.008 17.600 ( 1.150 1.103 -6.043) 6.250 17.679 ( 1.598 -1.276 -1.886) 2.782 17.887 ( -0.643 1.615 5.678) 5.939 18.045 ( 0.827 -8.855 4.372) 9.910 18.592 ( 3.445 5.047 5.637) 8.314 18.698 ( 0.681 -3.359 9.356) 9.964 18.887 ( -3.769 2.830 -2.347) 5.265 19.053 ( -4.194 -9.921 0.231) 10.774 20.272 ( -3.186 8.025 1.468) 8.758 20.317 ( 1.399 6.675 -5.676) 8.873 20.472 ( -4.643 -8.563 0.098) 9.742 20.516 ( 0.926 -8.455 -8.269) 11.863 21.166 ( 8.699 6.549 1.125) 10.946 21.291 ( 5.787 -3.195 -0.098) 6.611 21.505 ( 3.824 5.508 1.883) 6.965 21.710 ( -0.582 -11.037 -1.284) 11.127 22.135 ( -3.785 8.609 -2.520) 9.736 22.305 ( -2.803 -4.378 -0.915) 5.278 22.394 ( 0.281 -0.606 -0.001) 0.668 22.495 ( 3.410 -7.113 2.351) 8.231 23.440 ( -0.528 12.367 2.883) 12.710 23.477 ( 2.637 10.521 2.519) 11.135 23.864 ( 0.129 6.607 0.695) 6.644 24.069 ( 2.055 -9.577 -0.372) 9.802 24.357 ( -1.255 9.606 0.929) 9.732 24.425 ( 4.315 3.787 -0.826) 5.800 24.748 ( -0.765 2.188 -5.444) 5.917 24.838 ( -1.019 -4.247 -10.360) 11.243 25.735 ( 1.327 1.380 4.953) 5.310 25.790 ( 1.785 -3.191 6.535) 7.488 26.163 ( 0.978 2.724 -2.511) 3.832 26.219 ( 0.695 -2.877 -2.435) 3.833 26.645 ( 0.989 3.172 1.789) 3.773 26.743 ( 1.111 -5.775 5.383) 7.973 27.103 ( -1.969 14.079 -1.305) 14.275 27.386 ( -3.304 -8.158 -5.380) 10.315 27.503 ( -9.987 2.807 6.501) 12.243 27.569 ( -5.508 8.278 7.110) 12.223 27.667 ( -8.162 -8.874 -0.732) 12.079 27.776 ( -2.726 -9.453 6.762) 11.937 28.394 ( 7.190 3.214 5.445) 9.574 28.460 ( 8.865 -3.481 3.965) 10.316 28.872 ( -0.305 10.717 0.145) 10.723 29.055 ( 0.794 3.158 0.437) 3.286 29.082 ( 0.279 -7.738 0.083) 7.744 29.127 ( 6.770 -3.888 -2.526) 8.205 29.339 ( -1.356 -0.058 -11.206) 11.288 29.381 ( -2.268 -3.626 -15.318) 15.904 29.873 ( 6.039 -0.069 7.680) 9.770 29.875 ( 6.091 -0.189 6.092) 8.617 30.152 ( -0.110 6.964 0.434) 6.979 30.293 ( -0.370 -5.743 1.314) 5.903 30.458 ( -2.662 4.802 -1.677) 5.741 30.547 ( 0.916 -2.196 0.594) 2.453 30.607 ( 1.089 0.902 -0.913) 1.683 30.674 ( 5.237 -3.923 1.352) 6.682 31.091 ( 1.351 6.613 -1.273) 6.869 31.145 ( 0.642 2.512 -1.582) 3.038 31.327 ( -0.374 0.405 -2.684) 2.740 31.432 ( 0.498 -7.230 -5.726) 9.236 31.721 ( -0.030 2.362 5.560) 6.042 31.825 ( -0.999 -6.526 1.933) 6.879 32.373 ( -1.121 6.624 0.712) 6.756 32.525 ( -0.883 -7.773 -0.109) 7.824 33.979 ( 0.923 7.762 2.355) 8.164 34.170 ( 0.074 -9.793 1.165) 9.863 34.265 ( -1.982 4.292 -1.227) 4.884 34.380 ( -1.110 -6.203 -0.489) 6.321 39.137 ( 1.818 24.657 1.228) 24.755 39.416 ( -0.877 1.824 -4.028) 4.508 39.639 ( -0.816 10.191 2.093) 10.436 39.725 ( -0.596 5.384 -0.390) 5.431 40.497 ( 0.605 2.482 0.308) 2.573 40.582 ( 0.480 -2.887 -0.738) 3.018 40.882 ( 0.039 2.484 -1.316) 2.812 40.980 ( 0.139 -4.981 -2.737) 5.685 41.729 ( 2.164 1.592 2.837) 3.907 41.884 ( 1.568 -10.315 2.813) 10.806 42.083 ( -2.366 -0.466 -2.035) 3.155 42.140 ( -1.530 -4.797 0.020) 5.035 43.767 ( 1.305 6.433 0.222) 6.568 43.865 ( 0.785 6.183 0.021) 6.233 43.964 ( -0.816 -11.611 0.068) 11.640 44.038 ( -0.937 -9.972 0.290) 10.020 45.252 ( 1.311 7.877 0.960) 8.043 45.311 ( 1.912 3.124 0.562) 3.706 45.430 ( -1.158 8.436 -3.955) 9.389 45.499 ( -0.161 2.877 -1.775) 3.384 46.035 ( -4.249 16.468 -1.898) 17.113 46.084 ( -0.800 14.318 -1.626) 14.432 46.374 ( -8.842 -12.699 3.509) 15.867 46.437 ( -3.793 -12.152 -0.499) 12.740 47.004 ( 0.843 8.009 0.424) 8.064 47.168 ( 0.267 1.150 -0.510) 1.286 47.264 ( 0.750 -7.912 -0.320) 7.954 47.415 ( -0.715 -11.798 -0.838) 11.850 47.880 ( -9.871 7.675 -1.414) 12.583 48.035 ( -5.246 -6.928 -2.962) 9.181 48.133 ( -2.272 2.117 1.256) 3.350 48.210 ( 0.188 -5.067 2.820) 5.802 49.592 ( 4.505 3.453 0.662) 5.715 49.692 ( 4.957 -5.635 2.065) 7.784 49.778 ( 3.923 1.673 0.364) 4.280 49.842 ( 3.542 -4.027 0.125) 5.364 52.364 ( 3.078 5.305 0.398) 6.146 52.471 ( 2.150 -4.441 0.156) 4.937 52.501 ( 1.172 5.136 -0.295) 5.276 52.610 ( 0.884 -4.816 -0.562) 4.929 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 8.896 20.173 13.410) 25.805 2.743 ( 10.147 -5.459 13.331) 17.621 3.005 ( 19.686 4.710 22.077) 29.952 3.240 ( 18.119 -12.001 23.843) 32.262 3.571 ( -10.419 1.741 -20.685) 23.227 3.604 ( -11.816 -0.237 -18.467) 21.925 3.818 ( 2.883 6.855 -4.916) 8.914 3.923 ( 3.606 -3.148 -4.903) 6.852 4.202 ( 0.145 23.176 -1.321) 23.214 4.219 ( 6.042 25.139 -1.358) 25.890 4.324 ( -2.757 10.876 1.122) 11.276 4.363 ( -5.366 13.312 0.192) 14.354 4.464 ( 1.274 14.690 7.484) 16.536 4.526 ( -7.340 3.609 -2.326) 8.504 4.614 ( -2.281 -3.296 -0.506) 4.040 4.729 ( -8.302 6.953 1.691) 10.960 4.874 ( -2.607 -5.745 -0.075) 6.310 4.920 ( -5.157 -5.417 -0.384) 7.489 5.086 ( -4.552 -3.493 2.145) 6.126 5.128 ( 1.334 -8.843 0.781) 8.978 5.290 ( -0.333 -8.086 0.362) 8.101 5.424 ( -3.083 -14.723 5.210) 15.919 5.475 ( -2.681 0.251 -1.012) 2.876 5.530 ( 0.148 -6.865 0.727) 6.905 5.763 ( 5.934 0.212 4.604) 7.514 5.808 ( 8.158 -2.917 5.073) 10.040 6.261 ( -8.945 8.032 -7.556) 14.200 6.382 ( -11.272 -2.423 -6.716) 13.343 6.810 ( -4.454 -0.679 -3.096) 5.467 6.891 ( -1.600 -7.429 -1.833) 7.817 7.086 ( -0.181 -1.674 1.451) 2.222 7.117 ( 0.347 -3.593 1.156) 3.791 7.201 ( -2.387 1.448 -10.344) 10.714 7.265 ( 3.103 -4.448 -2.276) 5.881 7.337 ( 1.626 -3.030 -10.818) 11.352 7.356 ( 7.569 -2.708 -7.079) 10.711 7.684 ( 0.781 2.552 3.522) 4.419 7.762 ( 0.024 -4.597 3.504) 5.780 8.183 ( -6.902 0.675 -4.180) 8.097 8.199 ( -7.663 -0.780 -5.562) 9.501 8.404 ( 2.393 3.971 4.439) 6.419 8.467 ( 1.467 -1.813 5.538) 6.009 8.820 ( 4.304 1.194 3.071) 5.420 8.860 ( 2.134 -2.324 4.599) 5.578 9.645 ( 3.388 5.212 -0.857) 6.275 9.682 ( 2.376 1.943 0.215) 3.077 9.936 ( 4.517 5.633 2.128) 7.527 10.044 ( 2.844 -4.052 2.144) 5.395 12.793 ( -1.864 7.046 -5.407) 9.075 12.870 ( 3.680 1.540 -2.838) 4.896 13.333 ( 2.306 1.213 11.602) 11.891 13.439 ( 6.103 -6.893 10.162) 13.712 13.830 ( 6.056 10.205 -1.053) 11.913 13.994 ( 0.139 -1.609 -4.539) 4.818 14.418 ( 5.070 8.626 9.443) 13.758 14.693 ( -3.722 -13.783 4.321) 14.916 16.209 ( -9.672 12.041 -19.218) 24.655 16.475 ( -10.317 -11.226 -19.845) 25.026 16.990 ( -2.291 5.440 3.466) 6.845 17.112 ( -3.779 -3.823 2.126) 5.781 17.561 ( 2.639 2.696 -4.928) 6.206 17.685 ( 0.609 -7.192 0.520) 7.236 17.976 ( 4.189 5.407 4.230) 8.042 18.119 ( 1.613 -5.563 3.829) 6.943 18.701 ( -1.221 4.341 4.268) 6.209 18.796 ( -3.059 4.717 -0.012) 5.622 18.832 ( -0.547 -3.178 10.312) 10.804 19.046 ( 0.040 -12.201 6.671) 13.905 20.195 ( -1.369 10.036 -9.755) 14.062 20.296 ( 0.017 5.818 2.769) 6.444 20.404 ( -0.754 -9.349 -9.012) 13.007 20.457 ( -0.552 -9.643 3.202) 10.176 21.244 ( 5.127 7.191 -4.119) 9.745 21.409 ( 7.623 -4.674 -0.507) 8.956 21.576 ( 3.133 -0.385 -0.847) 3.268 21.705 ( 0.223 -8.885 -0.435) 8.899 22.013 ( -4.487 10.849 -3.175) 12.162 22.251 ( -1.713 -10.276 -2.851) 10.800 22.405 ( -0.515 6.436 2.592) 6.957 22.595 ( 4.058 -9.611 3.572) 11.027 23.488 ( 0.947 13.369 4.585) 14.165 23.564 ( 2.797 8.457 4.351) 9.913 23.883 ( 1.133 8.975 0.199) 9.049 24.101 ( 3.302 -9.568 -1.547) 10.239 24.346 ( -2.571 12.527 2.169) 12.970 24.496 ( 5.199 2.577 0.360) 5.814 24.655 ( -0.384 0.884 -7.379) 7.442 24.716 ( 1.816 -0.969 -9.155) 9.384 25.825 ( 1.494 0.488 5.443) 5.665 25.874 ( -0.522 -3.115 4.999) 5.913 26.136 ( 0.752 1.351 -4.342) 4.610 26.190 ( 1.026 -2.958 -4.242) 5.272 26.700 ( 1.301 5.483 3.624) 6.700 26.834 ( 1.235 -6.404 5.227) 8.358 27.029 ( -5.022 11.903 -1.955) 13.066 27.258 ( -4.018 -0.824 -3.470) 5.373 27.401 ( -9.671 -5.877 2.123) 11.514 27.515 ( -8.945 -7.722 -0.468) 11.826 27.614 ( -5.836 9.880 12.948) 17.301 27.834 ( -3.531 -9.500 9.929) 14.188 28.609 ( 5.986 2.904 10.005) 12.016 28.637 ( 2.277 0.643 7.212) 7.590 28.895 ( 3.429 8.721 1.840) 9.550 29.046 ( 0.829 1.406 -6.820) 7.012 29.100 ( 0.506 -7.822 -2.178) 8.135 29.124 ( 6.557 -2.836 -13.684) 15.436 29.181 ( 1.379 1.370 -7.394) 7.646 29.307 ( 7.081 -8.326 -2.940) 11.319 29.906 ( -3.718 7.741 -1.973) 8.812 29.985 ( 0.440 -0.627 0.377) 0.853 30.150 ( -0.474 2.994 -3.760) 4.830 30.241 ( -3.376 -4.194 -3.595) 6.474 30.505 ( 4.461 -0.936 5.253) 6.955 30.518 ( -1.461 -1.758 -1.135) 2.552 30.702 ( 7.467 3.120 5.321) 9.685 30.795 ( 4.811 -5.477 3.034) 7.896 31.119 ( 4.667 3.732 -2.693) 6.554 31.141 ( 3.271 4.840 -1.742) 6.096 31.298 ( -0.222 -1.769 -0.525) 1.859 31.380 ( 1.631 -5.905 -4.977) 7.893 31.777 ( -1.774 -0.904 4.957) 5.342 31.828 ( -1.337 -4.852 1.373) 5.217 32.362 ( -1.667 5.906 1.133) 6.241 32.505 ( -1.497 -7.673 -0.160) 7.820 34.028 ( 0.723 6.358 2.624) 6.916 34.176 ( -1.074 -2.567 -0.093) 2.784 34.218 ( -1.691 -0.248 -0.338) 1.742 34.354 ( -1.313 -7.964 -0.159) 8.073 39.198 ( 3.298 22.672 2.168) 23.013 39.345 ( -1.449 13.864 -4.115) 14.534 39.640 ( -1.704 4.950 0.564) 5.265 39.702 ( -1.237 2.829 -0.670) 3.159 40.518 ( 1.390 1.145 0.523) 1.875 40.575 ( -0.008 -2.956 -0.953) 3.106 40.862 ( 0.271 3.204 -2.156) 3.871 40.943 ( 0.323 -3.225 -3.439) 4.726 41.811 ( 2.471 1.961 3.629) 4.808 41.954 ( 1.890 -10.187 3.078) 10.808 42.025 ( -1.967 0.880 -0.469) 2.205 42.117 ( -1.464 -6.410 0.283) 6.581 43.798 ( 2.244 3.788 0.187) 4.407 43.882 ( 1.427 4.322 -0.107) 4.553 43.946 ( -1.512 -9.759 0.023) 9.875 44.022 ( -1.832 -8.706 0.453) 8.908 45.296 ( 2.039 8.650 1.753) 9.059 45.331 ( -0.523 8.051 -2.874) 8.565 45.383 ( 1.793 5.595 -0.293) 5.883 45.460 ( 0.274 1.171 -4.125) 4.297 45.940 ( -5.342 17.202 -0.601) 18.022 46.041 ( -1.021 13.622 -2.617) 13.909 46.260 ( -11.453 -8.875 3.949) 15.018 46.359 ( -5.344 -11.386 -0.141) 12.579 47.033 ( 1.754 6.969 0.905) 7.243 47.166 ( 0.471 1.287 -0.772) 1.573 47.260 ( -0.545 -6.412 -0.946) 6.505 47.395 ( -0.121 -11.888 -1.143) 11.944 47.721 ( -8.405 5.383 -0.162) 9.982 47.884 ( -7.876 -9.273 -3.437) 12.643 48.116 ( -2.523 4.687 1.879) 5.645 48.244 ( -0.899 -7.115 3.333) 7.909 49.674 ( 4.699 4.304 0.325) 6.380 49.778 ( 3.701 -4.157 0.938) 5.644 49.861 ( 5.518 -0.241 0.076) 5.524 49.915 ( 4.556 -5.262 0.754) 7.001 52.424 ( 3.704 4.352 0.347) 5.725 52.510 ( 2.912 0.315 -0.883) 3.059 52.523 ( 1.613 0.493 0.579) 1.783 52.618 ( 1.240 -4.501 -0.832) 4.742 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 8.414 13.793 12.357) 20.340 2.956 ( 3.922 -7.951 5.515) 10.441 3.155 ( -4.996 4.299 -10.825) 12.674 3.219 ( -6.509 -1.551 -12.161) 13.880 3.539 ( 8.182 9.466 8.349) 15.042 3.684 ( 6.302 -1.979 7.891) 10.291 3.836 ( 6.923 8.056 -0.046) 10.622 3.931 ( 5.840 0.644 -3.178) 6.680 4.119 ( -4.500 19.580 -6.669) 21.168 4.182 ( -8.782 15.692 -1.195) 18.022 4.250 ( -9.528 9.642 1.418) 13.629 4.298 ( -7.414 7.565 -5.041) 11.730 4.385 ( 4.558 9.815 5.823) 12.289 4.590 ( -2.699 2.824 2.193) 4.480 4.624 ( -1.528 8.659 1.964) 9.010 4.728 ( 1.276 -3.514 1.875) 4.183 4.834 ( 1.926 -6.337 -0.193) 6.626 4.888 ( -0.304 -12.733 -0.141) 12.738 5.099 ( -0.050 6.093 8.653) 10.583 5.216 ( 3.438 -9.071 5.670) 11.236 5.274 ( -0.379 -6.053 -1.446) 6.235 5.417 ( -3.655 -8.368 1.735) 9.295 5.492 ( 6.681 0.651 2.613) 7.204 5.614 ( 5.593 -8.513 5.909) 11.776 5.873 ( 2.728 2.710 1.960) 4.316 5.955 ( 4.571 -3.666 2.035) 6.202 6.089 ( -4.525 6.307 -3.233) 8.408 6.177 ( -7.532 -1.543 -2.269) 8.016 6.668 ( -6.840 2.961 -6.333) 9.781 6.781 ( -6.069 -6.766 -7.769) 11.957 7.016 ( -1.762 -0.413 -7.622) 7.834 7.043 ( -0.721 -3.515 -4.557) 5.800 7.164 ( -0.755 -1.573 3.669) 4.063 7.229 ( 0.761 -5.386 -4.690) 7.182 7.289 ( 1.145 -1.961 -2.353) 3.270 7.355 ( 2.244 -4.383 -4.765) 6.852 7.763 ( 2.279 2.424 3.488) 4.821 7.823 ( 1.827 -3.253 2.730) 4.623 7.984 ( -7.033 0.296 -6.114) 9.324 8.002 ( -7.381 -1.323 -5.310) 9.188 8.517 ( 3.271 3.214 4.053) 6.120 8.566 ( 2.020 -1.298 4.311) 4.935 8.907 ( 3.280 0.547 1.245) 3.551 8.931 ( 0.379 -1.589 3.324) 3.704 9.684 ( 2.370 4.519 -0.437) 5.121 9.714 ( 1.445 1.775 0.092) 2.291 10.016 ( 2.900 5.116 1.192) 6.000 10.107 ( 2.025 -3.183 1.453) 4.043 12.694 ( -2.042 8.787 -4.040) 9.885 12.856 ( -0.070 -5.856 -2.724) 6.459 13.514 ( 3.957 8.653 7.406) 12.058 13.659 ( 5.114 -4.856 8.678) 11.183 13.926 ( 1.177 2.880 -4.956) 5.852 13.939 ( 5.061 1.277 1.576) 5.452 14.660 ( 6.839 2.194 12.827) 14.701 14.741 ( -0.411 -5.024 8.055) 9.502 15.835 ( -7.013 7.861 -17.502) 20.428 16.038 ( -13.238 -10.194 -18.835) 25.178 16.986 ( -1.504 6.271 0.985) 6.524 17.043 ( -4.509 2.516 -1.084) 5.276 17.549 ( 1.305 3.164 -2.268) 4.106 17.712 ( -0.016 -12.607 2.606) 12.873 18.094 ( 4.840 3.760 2.224) 6.519 18.183 ( 1.996 -3.627 1.970) 4.585 18.653 ( -4.172 2.500 -2.278) 5.371 18.748 ( -1.970 -4.197 1.772) 4.963 19.008 ( 3.158 5.410 9.618) 11.478 19.166 ( 0.500 -8.258 8.893) 12.146 20.062 ( -1.093 9.059 -7.181) 11.611 20.252 ( -2.152 -5.786 -6.376) 8.875 20.366 ( 1.308 1.125 1.290) 2.155 20.501 ( 0.571 -9.659 2.787) 10.069 21.266 ( 3.189 7.999 -2.107) 8.865 21.471 ( 3.695 -10.750 -2.627) 11.667 21.602 ( 2.065 -1.181 -2.629) 3.545 21.627 ( -4.202 -0.693 -3.522) 5.526 21.987 ( 1.034 4.798 0.986) 5.006 22.194 ( -1.488 -12.121 -1.652) 12.323 22.433 ( 0.026 11.469 2.066) 11.653 22.683 ( 2.296 -11.061 2.231) 11.515 23.583 ( 2.569 13.520 5.832) 14.946 23.657 ( 2.136 8.067 3.766) 9.155 23.880 ( 0.144 12.244 -2.908) 12.585 24.127 ( 2.976 -10.700 -2.000) 11.285 24.339 ( -3.181 13.169 3.847) 14.083 24.570 ( -0.959 -2.552 -3.465) 4.409 24.581 ( 4.502 4.766 0.148) 6.558 24.665 ( 2.964 0.182 -5.888) 6.595 25.898 ( -0.190 -0.671 3.595) 3.662 25.921 ( 0.165 -2.030 4.930) 5.334 26.077 ( -0.207 0.755 -5.567) 5.622 26.148 ( 0.493 -4.117 -4.215) 5.913 26.754 ( 0.225 6.736 2.531) 7.200 26.884 ( 0.242 -2.159 1.111) 2.440 26.932 ( -4.017 10.361 -0.650) 11.131 27.215 ( -0.439 -4.128 1.686) 4.480 27.290 ( -5.924 -7.558 0.357) 9.610 27.384 ( -5.716 -6.806 -2.509) 9.235 27.698 ( -3.305 10.220 10.787) 15.223 27.899 ( -2.399 -8.284 7.388) 11.356 28.639 ( -3.772 7.209 -0.242) 8.140 28.779 ( -2.494 -3.617 8.747) 9.788 28.944 ( 4.485 2.547 -10.219) 11.447 28.977 ( 0.602 1.077 -2.122) 2.455 29.086 ( 5.123 -2.935 3.410) 6.818 29.124 ( 3.744 -2.794 -0.872) 4.752 29.220 ( 6.137 4.453 -1.901) 7.817 29.365 ( 5.646 -6.635 -6.156) 10.667 29.820 ( -2.839 9.852 -1.425) 10.351 29.937 ( -3.796 0.452 -1.393) 4.069 30.037 ( -2.693 0.402 -5.642) 6.265 30.143 ( -3.755 -6.991 -4.245) 9.000 30.482 ( -1.106 4.326 -0.949) 4.565 30.625 ( 2.184 -8.702 3.003) 9.461 30.883 ( 3.935 2.515 1.225) 4.828 30.909 ( 6.370 -0.825 8.016) 10.272 31.135 ( 4.228 5.552 -4.141) 8.115 31.213 ( 5.214 0.704 -1.713) 5.533 31.309 ( -0.655 -4.526 1.928) 4.963 31.364 ( 2.457 -5.988 -1.309) 6.604 31.779 ( -3.705 -0.864 2.647) 4.635 31.826 ( -0.087 -4.857 0.079) 4.858 32.353 ( -1.183 5.002 0.963) 5.229 32.480 ( -1.277 -7.216 -0.125) 7.329 34.045 ( -0.841 5.855 0.219) 5.920 34.154 ( -0.542 5.618 0.397) 5.658 34.202 ( -0.960 -6.547 -0.142) 6.619 34.345 ( -0.350 -9.796 0.603) 9.820 39.281 ( 1.106 24.177 0.036) 24.202 39.284 ( 1.352 21.100 0.014) 21.143 39.593 ( -2.844 2.029 -1.868) 3.962 39.684 ( -0.629 -2.627 0.021) 2.701 40.544 ( 1.113 -0.164 0.206) 1.144 40.562 ( -0.359 -2.107 -0.456) 2.185 40.842 ( 0.340 3.515 -1.730) 3.932 40.913 ( 0.380 -1.405 -2.113) 2.565 41.870 ( 0.407 4.979 1.803) 5.311 41.977 ( 0.431 -3.972 0.077) 3.996 42.054 ( 1.212 -6.643 3.258) 7.498 42.106 ( -0.577 -7.458 0.464) 7.495 43.836 ( 2.467 0.373 0.042) 2.496 43.904 ( 1.764 1.686 -0.302) 2.458 43.919 ( -1.998 -6.998 -0.032) 7.278 43.996 ( -2.152 -6.698 0.433) 7.048 45.267 ( -1.553 11.682 -2.392) 12.025 45.351 ( 1.911 8.581 1.070) 8.856 45.406 ( -0.144 2.812 -1.015) 2.993 45.447 ( 3.252 2.957 -0.883) 4.483 45.871 ( -3.390 16.111 0.481) 16.471 45.999 ( 0.258 13.224 -2.818) 13.524 46.141 ( -8.776 -7.126 2.750) 11.634 46.286 ( -3.943 -11.433 0.234) 12.096 47.079 ( 2.437 4.888 1.288) 5.611 47.165 ( 0.426 1.723 -0.512) 1.847 47.220 ( -2.423 -1.641 -1.620) 3.345 47.385 ( 0.332 -12.560 -0.852) 12.593 47.635 ( -3.734 -0.163 1.092) 3.894 47.741 ( -5.430 -9.156 -2.456) 10.924 48.102 ( -1.733 6.296 1.244) 6.648 48.262 ( -1.055 -8.455 2.130) 8.783 49.733 ( 2.666 4.419 0.012) 5.161 49.832 ( 2.296 -3.667 0.259) 4.334 49.930 ( 3.284 -0.274 -0.116) 3.297 49.979 ( 2.621 -5.651 0.387) 6.242 52.474 ( 2.247 3.896 0.079) 4.498 52.534 ( 1.729 4.083 -0.690) 4.487 52.557 ( 1.435 -3.472 0.506) 3.791 52.626 ( 0.852 -4.095 -0.632) 4.230 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -0.000 8.021 0.000) 8.021 2.969 ( 0.000 0.397 0.000) 0.397 3.080 ( 0.000 -0.154 0.000) 0.154 3.094 ( 0.000 -1.318 -0.000) 1.318 3.614 ( 0.000 9.928 0.000) 9.928 3.766 ( 0.000 -2.054 0.000) 2.054 3.924 ( -0.000 4.757 0.000) 4.757 3.985 ( -0.000 2.402 0.000) 2.402 4.021 ( 0.000 23.278 -0.000) 23.278 4.108 ( 0.000 20.911 0.000) 20.911 4.150 ( 0.000 7.274 0.000) 7.274 4.195 ( 0.000 13.509 0.000) 13.509 4.480 ( 0.000 5.716 -0.000) 5.716 4.583 ( 0.000 9.621 0.000) 9.621 4.588 ( 0.000 -2.436 -0.000) 2.436 4.738 ( 0.000 -4.030 0.000) 4.030 4.852 ( 0.000 -15.455 0.000) 15.455 4.884 ( -0.000 -13.525 0.000) 13.525 5.166 ( 0.000 8.861 0.000) 8.861 5.261 ( 0.000 -11.067 0.000) 11.067 5.306 ( -0.000 -8.825 0.000) 8.825 5.388 ( 0.000 -8.905 0.000) 8.905 5.684 ( -0.000 2.970 -0.000) 2.970 5.704 ( 0.000 2.393 0.000) 2.393 5.900 ( 0.000 2.672 0.000) 2.672 5.992 ( 0.000 -4.976 0.000) 4.976 6.045 ( -0.000 5.898 0.000) 5.898 6.099 ( 0.000 -1.007 0.000) 1.007 6.536 ( 0.000 3.292 0.000) 3.292 6.632 ( 0.000 -5.624 0.000) 5.624 6.959 ( -0.000 -0.678 0.000) 0.678 7.010 ( 0.000 -6.028 0.000) 6.028 7.184 ( -0.000 -2.842 0.000) 2.842 7.203 ( 0.000 -0.243 -0.000) 0.243 7.285 ( 0.000 -4.578 0.000) 4.578 7.338 ( 0.000 -4.397 0.000) 4.397 7.804 ( 0.000 2.505 0.000) 2.505 7.861 ( 0.000 -2.706 0.000) 2.706 7.890 ( 0.000 -0.679 0.000) 0.679 7.897 ( -0.000 -1.346 0.000) 1.346 8.571 ( 0.000 2.730 0.000) 2.730 8.611 ( 0.000 -0.966 0.000) 0.966 8.943 ( 0.000 -0.240 -0.000) 0.240 8.951 ( -0.000 -0.838 0.000) 0.838 9.700 ( 0.000 4.117 -0.000) 4.117 9.726 ( 0.000 1.804 0.000) 1.804 10.047 ( 0.000 5.020 0.000) 5.020 10.132 ( 0.000 -2.919 0.000) 2.919 12.652 ( 0.000 9.325 0.000) 9.325 12.834 ( 0.000 -7.656 0.000) 7.656 13.591 ( 0.000 11.605 0.000) 11.605 13.775 ( 0.000 -5.619 0.000) 5.619 13.867 ( 0.000 7.253 0.000) 7.253 14.019 ( 0.000 -6.926 -0.000) 6.926 14.816 ( 0.000 2.093 -0.000) 2.093 14.828 ( -0.000 1.020 0.000) 1.020 15.674 ( 0.000 0.390 0.000) 0.390 15.746 ( 0.000 -6.128 0.000) 6.128 16.985 ( -0.000 5.963 -0.000) 5.963 16.988 ( 0.000 5.248 0.000) 5.248 17.544 ( 0.000 3.693 0.000) 3.693 17.731 ( 0.000 -14.182 0.000) 14.182 18.149 ( 0.000 1.780 0.000) 1.780 18.214 ( 0.000 -4.541 0.000) 4.541 18.599 ( 0.000 5.147 0.000) 5.147 18.747 ( 0.000 -6.410 0.000) 6.410 19.103 ( 0.000 5.610 0.000) 5.610 19.229 ( 0.000 -4.764 0.000) 4.764 20.008 ( 0.000 7.033 0.000) 7.033 20.185 ( 0.000 -6.596 0.000) 6.596 20.387 ( 0.000 1.736 0.000) 1.736 20.525 ( 0.000 -9.996 0.000) 9.996 21.282 ( 0.000 8.147 0.000) 8.147 21.481 ( 0.000 -9.779 0.000) 9.779 21.538 ( 0.000 3.504 0.000) 3.504 21.620 ( 0.000 -5.344 0.000) 5.344 22.006 ( 0.000 1.741 0.000) 1.741 22.172 ( 0.000 -11.756 0.000) 11.756 22.448 ( 0.000 13.090 0.000) 13.090 22.714 ( 0.000 -11.236 0.000) 11.236 23.663 ( 0.000 12.851 0.000) 12.851 23.698 ( 0.000 8.829 -0.000) 8.829 23.844 ( 0.000 14.603 0.000) 14.603 24.138 ( 0.000 -13.467 0.000) 13.467 24.340 ( 0.000 13.595 0.000) 13.595 24.537 ( 0.000 0.995 -0.000) 0.995 24.638 ( 0.000 3.183 -0.000) 3.183 24.639 ( -0.000 -1.235 0.000) 1.235 25.918 ( 0.000 0.620 0.000) 0.620 25.977 ( 0.000 -6.084 0.000) 6.084 26.018 ( 0.000 3.297 -0.000) 3.297 26.120 ( 0.000 -5.037 0.000) 5.037 26.767 ( 0.000 8.001 0.000) 8.001 26.893 ( -0.000 -3.646 0.000) 3.646 26.899 ( 0.000 14.214 0.000) 14.214 27.233 ( 0.000 -16.740 0.000) 16.740 27.262 ( 0.000 -1.177 0.000) 1.177 27.299 ( 0.000 -3.683 0.000) 3.683 27.746 ( 0.000 9.828 0.000) 9.828 27.928 ( 0.000 -7.277 0.000) 7.277 28.596 ( 0.000 7.807 0.000) 7.807 28.785 ( 0.000 -8.423 0.000) 8.423 28.938 ( 0.000 3.296 0.000) 3.296 28.956 ( 0.000 -0.468 0.000) 0.468 29.146 ( 0.000 2.664 0.000) 2.664 29.183 ( 0.000 -1.920 0.000) 1.920 29.302 ( 0.000 0.138 -0.000) 0.138 29.325 ( 0.000 -0.932 0.000) 0.932 29.793 ( 0.000 10.492 0.000) 10.492 29.879 ( 0.000 3.952 0.000) 3.952 30.001 ( 0.000 -3.873 -0.000) 3.873 30.062 ( 0.000 -9.750 0.000) 9.750 30.465 ( 0.000 6.209 0.000) 6.209 30.655 ( 0.000 -11.312 0.000) 11.312 30.922 ( 0.000 6.214 0.000) 6.214 31.029 ( 0.000 -5.292 0.000) 5.292 31.141 ( 0.000 6.322 -0.000) 6.322 31.238 ( 0.000 6.552 0.000) 6.552 31.300 ( 0.000 -8.188 0.000) 8.188 31.400 ( 0.000 -8.387 0.000) 8.387 31.760 ( 0.000 0.434 0.000) 0.434 31.825 ( 0.000 -5.506 0.000) 5.506 32.350 ( 0.000 4.522 0.000) 4.522 32.469 ( 0.000 -6.868 0.000) 6.868 34.034 ( 0.000 6.430 0.000) 6.430 34.160 ( 0.000 7.296 0.000) 7.296 34.189 ( -0.000 -8.424 0.000) 8.424 34.348 ( 0.000 -10.363 0.000) 10.363 39.258 ( 0.000 26.791 0.000) 26.791 39.337 ( 0.000 24.192 0.000) 24.192 39.547 ( 0.000 -1.668 -0.000) 1.668 39.679 ( 0.000 -4.963 0.000) 4.963 40.554 ( 0.000 -0.688 -0.000) 0.688 40.556 ( -0.000 -1.702 0.000) 1.702 40.833 ( 0.000 3.507 0.000) 3.507 40.903 ( 0.000 -0.403 0.000) 0.403 41.879 ( 0.000 6.692 0.000) 6.692 41.986 ( 0.000 -3.775 0.000) 3.775 42.088 ( 0.000 -7.798 0.000) 7.798 42.105 ( 0.000 -7.824 0.000) 7.824 43.864 ( 0.000 -2.186 0.000) 2.186 43.894 ( 0.000 -4.844 0.000) 4.844 43.920 ( 0.000 0.114 0.000) 0.114 43.977 ( -0.000 -5.234 0.000) 5.234 45.239 ( 0.000 12.448 0.000) 12.448 45.367 ( 0.000 4.698 0.000) 4.698 45.402 ( 0.000 6.482 0.000) 6.482 45.472 ( 0.000 3.857 0.000) 3.857 45.848 ( 0.000 15.161 0.000) 15.161 45.984 ( 0.000 13.915 0.000) 13.915 46.085 ( 0.000 -7.512 0.000) 7.512 46.255 ( 0.000 -11.643 0.000) 11.643 47.123 ( 0.000 1.963 0.000) 1.963 47.165 ( 0.000 3.392 0.000) 3.392 47.172 ( -0.000 1.387 0.000) 1.387 47.382 ( 0.000 -13.058 0.000) 13.058 47.619 ( 0.000 -3.161 0.000) 3.161 47.678 ( 0.000 -8.356 0.000) 8.356 48.096 ( 0.000 6.817 0.000) 6.817 48.267 ( 0.000 -8.895 0.000) 8.895 49.754 ( 0.000 4.369 0.000) 4.369 49.851 ( 0.000 -3.818 0.000) 3.818 49.954 ( 0.000 -0.088 0.000) 0.088 50.002 ( 0.000 -5.457 0.000) 5.457 52.491 ( 0.000 3.863 0.000) 3.863 52.544 ( 0.000 3.947 0.000) 3.947 52.572 ( 0.000 -3.601 0.000) 3.601 52.628 ( 0.000 -3.868 0.000) 3.868 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.085 0.000 27.988) 27.988 1.139 ( 13.165 0.000 52.941) 54.553 1.676 ( -20.497 0.000 76.188) 78.897 2.485 ( 0.124 0.000 -21.889) 21.890 2.913 ( 1.866 0.000 1.947) 2.697 3.114 ( -3.251 0.000 -1.708) 3.672 3.135 ( 7.303 0.000 9.696) 12.139 3.659 ( -10.822 0.000 17.001) 20.153 3.838 ( 2.231 0.000 18.518) 18.652 3.933 ( -6.600 0.000 -23.863) 24.759 3.998 ( -7.617 0.000 15.044) 16.863 4.170 ( -8.250 0.000 14.185) 16.410 4.221 ( -8.903 0.000 -22.374) 24.080 4.433 ( 2.662 0.000 -4.552) 5.273 4.594 ( -7.415 0.000 6.767) 10.038 4.730 ( 5.109 0.000 -5.247) 7.324 4.976 ( -2.511 0.000 -1.979) 3.197 5.098 ( 6.780 0.000 -5.115) 8.493 5.157 ( -4.036 0.000 2.388) 4.689 5.233 ( 2.302 0.000 -4.539) 5.089 5.344 ( 16.587 0.000 -2.711) 16.808 5.436 ( 3.936 0.000 -2.497) 4.661 5.477 ( 5.637 0.000 -1.966) 5.970 5.906 ( -6.241 0.000 4.156) 7.499 5.941 ( 8.786 0.000 -32.472) 33.639 6.084 ( 2.596 0.000 -11.894) 12.174 6.314 ( 8.829 0.000 -29.201) 30.507 6.388 ( 2.908 0.000 0.174) 2.913 6.913 ( 5.389 0.000 -3.032) 6.184 7.074 ( 14.109 0.000 2.167) 14.275 7.195 ( 0.082 0.000 -0.593) 0.598 7.221 ( -3.294 0.000 -0.077) 3.295 7.468 ( -7.617 0.000 -3.284) 8.295 7.489 ( -5.479 0.000 -1.457) 5.669 7.516 ( 3.581 0.000 4.426) 5.693 7.825 ( 11.464 0.000 -2.532) 11.740 7.913 ( -0.508 0.000 7.083) 7.101 8.033 ( -0.571 0.000 6.242) 6.268 8.062 ( -9.311 0.000 12.507) 15.592 8.321 ( -0.628 0.000 -8.153) 8.177 8.471 ( 0.188 0.000 -2.904) 2.910 8.570 ( -6.800 0.000 17.711) 18.971 8.808 ( 4.377 0.000 -4.369) 6.184 9.007 ( -8.839 0.000 8.108) 11.995 9.319 ( -7.939 0.000 -3.509) 8.680 9.387 ( -5.539 0.000 10.045) 11.471 9.505 ( 5.588 0.000 -5.177) 7.618 10.018 ( 3.257 0.000 -3.434) 4.733 12.099 ( 4.897 0.000 3.290) 5.900 12.635 ( -5.201 0.000 -12.020) 13.097 12.994 ( 0.217 0.000 13.754) 13.756 13.545 ( -0.209 0.000 23.622) 23.623 13.592 ( -1.271 0.000 7.002) 7.116 13.950 ( 2.377 0.000 -5.981) 6.436 14.512 ( -0.472 0.000 -9.595) 9.607 15.057 ( 4.242 0.000 1.135) 4.391 16.115 ( -1.775 0.000 -4.846) 5.161 16.641 ( 8.349 0.000 -5.664) 10.089 16.786 ( 0.980 0.000 -6.432) 6.506 17.092 ( -0.146 0.000 -19.600) 19.601 17.577 ( -10.047 0.000 -4.592) 11.047 17.750 ( 5.494 0.000 -4.380) 7.026 18.256 ( 5.908 0.000 3.861) 7.058 18.486 ( -4.087 0.000 15.847) 16.366 18.491 ( 7.649 0.000 -2.848) 8.162 18.829 ( -1.473 0.000 -5.173) 5.378 19.280 ( 5.638 0.000 4.901) 7.470 19.289 ( -6.928 0.000 17.418) 18.746 19.532 ( -5.250 0.000 2.502) 5.816 19.591 ( 6.455 0.000 1.577) 6.644 20.714 ( 9.978 0.000 0.670) 10.001 20.772 ( -4.826 0.000 -3.951) 6.237 21.075 ( -4.410 0.000 1.506) 4.660 21.510 ( -8.119 0.000 -4.758) 9.411 21.610 ( -1.766 0.000 -1.164) 2.115 21.654 ( 4.758 0.000 -6.391) 7.968 22.125 ( -1.477 0.000 8.835) 8.957 22.471 ( -16.284 0.000 5.130) 17.073 22.680 ( 5.893 0.000 0.744) 5.939 22.855 ( -13.249 0.000 -4.824) 14.100 22.958 ( -9.666 0.000 -1.077) 9.726 22.995 ( 10.341 0.000 -2.772) 10.707 23.065 ( -7.447 0.000 -1.796) 7.661 23.122 ( 2.209 0.000 -0.214) 2.219 23.612 ( -8.492 0.000 8.048) 11.700 24.170 ( 4.100 0.000 -4.174) 5.851 24.577 ( -1.325 0.000 -0.757) 1.526 24.754 ( -0.275 0.000 -4.653) 4.662 25.823 ( 1.510 0.000 1.970) 2.483 25.917 ( -2.204 0.000 0.166) 2.210 26.276 ( -0.382 0.000 0.183) 0.424 26.422 ( 3.588 0.000 -3.426) 4.961 26.544 ( -1.494 0.000 1.416) 2.059 26.555 ( 0.188 0.000 0.435) 0.474 27.097 ( 2.253 0.000 4.551) 5.078 27.269 ( 1.130 0.000 1.920) 2.228 27.775 ( -13.821 0.000 -0.815) 13.845 27.806 ( -3.762 0.000 -0.119) 3.764 28.208 ( -2.934 0.000 -0.948) 3.083 28.238 ( 22.311 0.000 1.703) 22.376 28.300 ( 0.213 0.000 9.386) 9.388 28.637 ( 22.579 0.000 3.604) 22.865 28.683 ( -0.954 0.000 -0.602) 1.129 28.988 ( -2.945 0.000 -1.124) 3.152 29.302 ( -2.153 0.000 -8.779) 9.039 29.348 ( -0.270 0.000 -5.894) 5.901 29.396 ( -7.682 0.000 -3.873) 8.603 29.734 ( 0.285 0.000 -3.593) 3.604 29.807 ( -16.103 0.000 3.154) 16.409 29.862 ( -0.654 0.000 -3.188) 3.254 30.061 ( 7.146 0.000 8.044) 10.760 30.215 ( 8.675 0.000 -4.045) 9.572 30.286 ( -5.815 0.000 -1.417) 5.985 30.446 ( -2.473 0.000 -5.188) 5.748 30.808 ( -5.810 0.000 -1.237) 5.940 30.839 ( 4.640 0.000 -3.139) 5.602 30.919 ( 2.903 0.000 2.073) 3.568 31.028 ( 1.836 0.000 2.145) 2.823 31.519 ( -1.297 0.000 8.877) 8.971 31.843 ( 3.964 0.000 0.056) 3.964 32.093 ( 2.662 0.000 -1.784) 3.204 32.111 ( -19.078 0.000 -4.715) 19.652 32.348 ( -11.166 0.000 5.973) 12.663 32.805 ( 4.137 0.000 -6.795) 7.955 33.787 ( 2.721 0.000 5.768) 6.378 34.149 ( -1.845 0.000 -2.653) 3.231 34.748 ( -0.085 0.000 6.715) 6.716 35.173 ( -6.322 0.000 -3.255) 7.110 37.561 ( -2.743 0.000 -0.171) 2.748 37.580 ( 2.616 0.000 -0.539) 2.671 38.992 ( 1.363 0.000 1.712) 2.189 39.062 ( -1.067 0.000 0.145) 1.077 40.548 ( 0.185 0.000 0.765) 0.788 40.778 ( 0.414 0.000 -3.630) 3.653 40.829 ( -1.840 0.000 -1.800) 2.574 40.856 ( 14.860 0.000 -1.164) 14.905 42.231 ( 2.742 0.000 0.974) 2.909 42.278 ( -1.786 0.000 -0.109) 1.789 42.387 ( 1.352 0.000 3.180) 3.456 42.390 ( -8.424 0.000 2.587) 8.813 43.674 ( -2.426 0.000 -0.319) 2.447 43.691 ( 0.479 0.000 -0.662) 0.817 44.429 ( -0.955 0.000 1.528) 1.802 44.519 ( 0.694 0.000 0.667) 0.962 44.685 ( 1.293 0.000 -1.961) 2.349 44.718 ( -0.506 0.000 -0.673) 0.842 44.776 ( -1.689 0.000 2.050) 2.656 44.886 ( 0.502 0.000 1.090) 1.199 44.958 ( -0.767 0.000 -1.867) 2.019 45.055 ( 0.712 0.000 -1.620) 1.769 46.646 ( -0.115 0.000 0.986) 0.993 46.826 ( 6.564 0.000 -4.084) 7.730 47.145 ( 8.705 0.000 4.908) 9.993 47.416 ( 1.999 0.000 -1.947) 2.791 47.647 ( -2.896 0.000 0.676) 2.974 47.712 ( 4.351 0.000 -0.865) 4.437 48.124 ( 1.576 0.000 -0.136) 1.581 48.177 ( -1.103 0.000 -1.335) 1.732 48.264 ( -38.400 0.000 2.193) 38.463 48.459 ( 5.786 0.000 -2.022) 6.129 49.542 ( -2.477 0.000 2.230) 3.333 49.730 ( 5.951 0.000 -2.409) 6.420 49.954 ( -7.364 0.000 3.461) 8.137 50.175 ( 30.711 0.000 -1.869) 30.768 52.100 ( -7.050 0.000 1.552) 7.218 52.239 ( 0.589 0.000 -1.418) 1.536 52.632 ( -0.332 0.000 1.265) 1.308 52.747 ( 0.347 0.000 -1.228) 1.276 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 11.614 0.000 26.222) 28.679 1.755 ( -11.115 0.000 47.366) 48.653 2.150 ( 4.765 0.000 -18.747) 19.343 2.722 ( 18.359 0.000 47.523) 50.946 2.986 ( -7.138 0.000 -6.191) 9.449 2.993 ( 4.559 0.000 18.498) 19.052 3.385 ( -11.577 0.000 -36.199) 38.006 3.432 ( 6.984 0.000 13.357) 15.072 3.702 ( -4.588 0.000 12.628) 13.436 3.775 ( -11.103 0.000 -19.485) 22.426 4.083 ( -0.293 0.000 15.365) 15.368 4.152 ( -5.635 0.000 20.534) 21.293 4.178 ( -9.390 0.000 12.569) 15.689 4.440 ( -0.599 0.000 -2.086) 2.170 4.631 ( 1.168 0.000 11.691) 11.749 4.686 ( -0.152 0.000 -6.433) 6.435 4.824 ( -12.278 0.000 -3.046) 12.650 5.051 ( -3.059 0.000 -4.065) 5.088 5.185 ( 6.334 0.000 -2.892) 6.963 5.203 ( -1.769 0.000 -1.209) 2.142 5.481 ( 4.406 0.000 -1.238) 4.576 5.504 ( 11.278 0.000 -16.721) 20.169 5.522 ( 3.128 0.000 -1.579) 3.504 5.620 ( 20.255 0.000 -36.236) 41.513 5.932 ( -4.733 0.000 5.134) 6.983 5.988 ( 3.081 0.000 -10.543) 10.984 6.041 ( 6.160 0.000 -29.513) 30.149 6.432 ( 3.472 0.000 -1.525) 3.792 6.995 ( 6.200 0.000 3.253) 7.001 7.069 ( -5.922 0.000 -8.422) 10.295 7.208 ( -7.179 0.000 -1.397) 7.314 7.296 ( -2.756 0.000 -2.999) 4.073 7.346 ( 6.292 0.000 7.456) 9.756 7.396 ( -1.207 0.000 -2.092) 2.415 7.661 ( 6.852 0.000 6.450) 9.410 7.837 ( 1.478 0.000 -10.409) 10.514 7.934 ( -15.330 0.000 16.334) 22.401 8.036 ( -0.573 0.000 2.404) 2.471 8.183 ( -1.566 0.000 -11.540) 11.646 8.193 ( 1.690 0.000 10.148) 10.288 8.344 ( -8.482 0.000 -6.272) 10.549 8.667 ( -6.915 0.000 14.070) 15.677 8.829 ( 6.325 0.000 -4.278) 7.636 9.013 ( -2.298 0.000 6.474) 6.870 9.177 ( -7.886 0.000 3.597) 8.667 9.451 ( -3.280 0.000 10.554) 11.052 9.565 ( 8.808 0.000 -3.817) 9.600 10.038 ( 5.256 0.000 -3.926) 6.561 12.291 ( 11.735 0.000 5.586) 12.996 12.427 ( -3.091 0.000 -11.026) 11.451 13.236 ( 3.218 0.000 17.995) 18.280 13.664 ( -1.841 0.000 11.060) 11.212 13.724 ( -6.288 0.000 4.571) 7.774 13.883 ( -0.588 0.000 -0.351) 0.685 14.462 ( 4.211 0.000 0.142) 4.214 15.075 ( 2.368 0.000 -9.465) 9.757 16.045 ( -2.377 0.000 -0.177) 2.384 16.551 ( 0.250 0.000 -18.612) 18.613 16.739 ( -0.818 0.000 -3.494) 3.588 16.840 ( -4.123 0.000 -14.484) 15.059 17.404 ( -5.131 0.000 -2.345) 5.642 17.862 ( 16.463 0.000 -6.355) 17.648 18.430 ( 4.600 0.000 9.461) 10.520 18.507 ( -6.291 0.000 5.116) 8.109 18.639 ( 7.993 0.000 4.766) 9.306 18.670 ( -7.610 0.000 -9.276) 11.998 19.192 ( -15.080 0.000 2.441) 15.277 19.385 ( -11.739 0.000 5.677) 13.040 19.575 ( 14.108 0.000 4.030) 14.672 19.892 ( 13.245 0.000 13.345) 18.802 20.643 ( -0.956 0.000 -10.076) 10.121 20.988 ( 19.536 0.000 -0.122) 19.537 21.249 ( 17.228 0.000 -5.476) 18.078 21.292 ( -4.283 0.000 -5.680) 7.114 21.623 ( 6.311 0.000 -1.537) 6.496 21.704 ( 6.809 0.000 -2.211) 7.159 22.217 ( -2.489 0.000 9.817) 10.128 22.236 ( -18.142 0.000 2.216) 18.277 22.699 ( -0.860 0.000 -5.020) 5.093 22.856 ( 10.552 0.000 5.062) 11.703 22.892 ( -10.396 0.000 -1.038) 10.448 22.951 ( 0.132 0.000 0.426) 0.446 23.123 ( 7.541 0.000 -0.376) 7.550 23.188 ( 7.175 0.000 -0.330) 7.182 23.578 ( -9.642 0.000 7.739) 12.363 24.170 ( 2.125 0.000 -4.514) 4.989 24.559 ( -0.025 0.000 -0.333) 0.334 24.693 ( 0.587 0.000 -4.418) 4.457 25.867 ( -3.399 0.000 -0.760) 3.483 25.892 ( 3.015 0.000 3.498) 4.619 26.263 ( -1.444 0.000 -0.381) 1.493 26.424 ( 2.280 0.000 -3.874) 4.496 26.529 ( -2.091 0.000 1.209) 2.415 26.568 ( 0.578 0.000 0.775) 0.967 27.222 ( 4.245 0.000 5.593) 7.021 27.258 ( -3.558 0.000 0.486) 3.591 27.657 ( -9.395 0.000 10.575) 14.145 27.708 ( -8.670 0.000 0.123) 8.671 28.110 ( -5.758 0.000 -2.515) 6.284 28.261 ( -5.356 0.000 0.613) 5.391 28.502 ( 3.048 0.000 12.331) 12.702 28.607 ( -6.634 0.000 -1.061) 6.719 28.778 ( -7.893 0.000 14.764) 16.742 28.918 ( -1.070 0.000 -5.954) 6.049 29.159 ( 2.291 0.000 -10.766) 11.008 29.270 ( -1.413 0.000 -5.057) 5.251 29.381 ( 4.108 0.000 -2.451) 4.784 29.498 ( -9.315 0.000 -13.513) 16.412 29.741 ( -3.735 0.000 2.344) 4.409 29.969 ( 8.412 0.000 4.121) 9.367 30.043 ( -9.537 0.000 -2.812) 9.943 30.317 ( 2.794 0.000 -7.370) 7.882 30.397 ( 7.515 0.000 1.062) 7.590 30.404 ( 16.198 0.000 0.345) 16.201 30.661 ( -7.539 0.000 -3.461) 8.295 30.823 ( -1.404 0.000 1.805) 2.287 31.087 ( 2.458 0.000 1.843) 3.072 31.106 ( 17.417 0.000 -4.878) 18.087 31.596 ( -2.220 0.000 8.714) 8.992 31.894 ( -6.376 0.000 -3.522) 7.284 31.935 ( 6.183 0.000 -0.969) 6.258 32.143 ( 5.027 0.000 2.871) 5.790 32.315 ( -6.651 0.000 5.878) 8.876 32.794 ( 5.416 0.000 -7.520) 9.267 33.914 ( 2.150 0.000 7.154) 7.470 34.047 ( -4.730 0.000 -4.957) 6.851 34.839 ( -0.490 0.000 8.386) 8.400 35.027 ( -7.347 0.000 -0.276) 7.352 37.502 ( -3.605 0.000 -1.055) 3.756 37.627 ( 3.388 0.000 0.487) 3.423 39.030 ( -2.317 0.000 -0.289) 2.335 39.045 ( 1.905 0.000 2.337) 3.015 40.579 ( 1.942 0.000 1.377) 2.380 40.726 ( 0.224 0.000 -5.231) 5.236 40.770 ( -2.801 0.000 -1.979) 3.429 40.910 ( -0.033 0.000 -1.835) 1.835 42.156 ( -11.143 0.000 0.891) 11.179 42.258 ( -0.584 0.000 0.773) 0.969 42.353 ( -2.479 0.000 2.329) 3.401 42.474 ( 2.899 0.000 5.143) 5.903 43.742 ( 6.725 0.000 -0.149) 6.726 43.794 ( 15.066 0.000 -4.756) 15.799 44.428 ( -1.760 0.000 1.479) 2.299 44.536 ( 0.537 0.000 0.381) 0.658 44.680 ( 0.501 0.000 -1.052) 1.165 44.697 ( -0.617 0.000 -1.288) 1.428 44.775 ( -2.269 0.000 2.540) 3.406 44.898 ( -1.241 0.000 -1.981) 2.338 44.911 ( -1.481 0.000 1.213) 1.914 45.033 ( -0.475 0.000 -1.757) 1.820 46.649 ( -0.982 0.000 0.881) 1.320 46.775 ( -7.440 0.000 -2.414) 7.822 47.031 ( -16.558 0.000 8.473) 18.601 47.391 ( -1.787 0.000 -2.246) 2.871 47.569 ( -7.484 0.000 0.103) 7.485 47.775 ( 4.012 0.000 0.640) 4.063 47.964 ( -4.383 0.000 7.130) 8.370 48.111 ( -4.285 0.000 -2.574) 4.998 48.296 ( 5.119 0.000 -4.856) 7.056 48.558 ( 6.726 0.000 1.622) 6.919 49.554 ( 1.170 0.000 1.442) 1.857 49.819 ( 8.738 0.000 -2.271) 9.028 49.896 ( -3.832 0.000 1.564) 4.139 50.390 ( 10.270 0.000 -7.491) 12.712 52.158 ( 7.476 0.000 -0.838) 7.523 52.252 ( 3.298 0.000 -1.040) 3.458 52.652 ( 0.519 0.000 1.550) 1.634 52.741 ( 1.082 0.000 -1.585) 1.919 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 12.917 0.000 23.147) 26.507 1.768 ( 2.477 0.000 -18.737) 18.900 2.369 ( -4.232 0.000 41.856) 42.069 2.764 ( -8.902 0.000 -8.481) 12.296 2.838 ( 0.534 0.000 -34.327) 34.331 2.862 ( -10.848 0.000 9.662) 14.528 3.448 ( -3.470 0.000 -13.347) 13.791 3.501 ( -16.149 0.000 8.554) 18.274 3.677 ( 2.970 0.000 15.727) 16.005 4.036 ( -3.754 0.000 15.218) 15.675 4.171 ( 20.547 0.000 38.331) 43.491 4.257 ( 2.992 0.000 0.059) 2.993 4.302 ( -15.028 0.000 -1.665) 15.120 4.355 ( -0.455 0.000 17.461) 17.467 4.547 ( -11.513 0.000 -1.483) 11.608 4.617 ( -6.287 0.000 -6.292) 8.895 4.968 ( 9.445 0.000 25.166) 26.880 4.968 ( 6.640 0.000 -11.146) 12.974 5.133 ( -3.787 0.000 -3.294) 5.019 5.241 ( 4.745 0.000 -2.348) 5.295 5.328 ( 20.066 0.000 -35.800) 41.040 5.493 ( 3.224 0.000 -10.386) 10.875 5.527 ( 0.499 0.000 -2.805) 2.849 5.633 ( 13.343 0.000 -16.438) 21.172 5.813 ( 11.158 0.000 -17.247) 20.542 5.918 ( 2.799 0.000 -8.340) 8.797 5.989 ( 0.704 0.000 2.603) 2.697 6.448 ( 2.881 0.000 -3.872) 4.826 6.810 ( -13.356 0.000 -10.044) 16.711 6.970 ( -8.452 0.000 -9.795) 12.937 7.146 ( 0.731 0.000 10.761) 10.786 7.300 ( -3.752 0.000 -0.913) 3.862 7.323 ( 0.157 0.000 4.618) 4.621 7.507 ( 0.100 0.000 6.478) 6.479 7.683 ( -5.179 0.000 -7.831) 9.389 7.846 ( 3.471 0.000 5.335) 6.365 7.896 ( -14.310 0.000 16.372) 21.744 8.007 ( -2.631 0.000 -9.989) 10.330 8.066 ( -1.045 0.000 4.795) 4.907 8.117 ( -8.557 0.000 -6.131) 10.527 8.334 ( 3.699 0.000 5.407) 6.551 8.695 ( -6.898 0.000 7.674) 10.319 8.894 ( 8.908 0.000 -5.108) 10.268 9.088 ( 2.551 0.000 5.135) 5.734 9.141 ( -2.330 0.000 1.702) 2.885 9.523 ( -4.591 0.000 9.934) 10.943 9.662 ( 9.082 0.000 -3.056) 9.582 10.074 ( 6.214 0.000 -5.046) 8.004 12.279 ( -0.551 0.000 -7.824) 7.844 12.554 ( 13.652 0.000 4.278) 14.307 13.391 ( -7.901 0.000 10.428) 13.084 13.590 ( -1.320 0.000 -9.233) 9.327 13.842 ( -4.959 0.000 -1.880) 5.303 13.927 ( 10.642 0.000 21.424) 23.922 14.627 ( 3.437 0.000 11.635) 12.132 14.855 ( -1.146 0.000 -27.049) 27.073 16.055 ( -7.075 0.000 12.394) 14.271 16.284 ( -3.712 0.000 -14.893) 15.349 16.629 ( -4.522 0.000 -7.489) 8.748 16.707 ( -0.500 0.000 0.088) 0.508 17.411 ( 4.337 0.000 4.379) 6.163 18.049 ( 15.237 0.000 -4.772) 15.967 18.395 ( -8.264 0.000 -12.578) 15.050 18.494 ( -1.485 0.000 2.209) 2.662 18.596 ( -0.007 0.000 10.133) 10.133 18.774 ( 1.774 0.000 1.101) 2.088 19.004 ( -8.353 0.000 1.253) 8.446 19.180 ( -15.983 0.000 -1.450) 16.048 19.875 ( 14.393 0.000 4.785) 15.167 20.253 ( 12.921 0.000 10.204) 16.464 20.500 ( 0.064 0.000 -9.212) 9.212 21.023 ( -0.405 0.000 -6.849) 6.861 21.315 ( 2.683 0.000 -8.731) 9.134 21.514 ( 22.945 0.000 5.620) 23.623 21.733 ( -2.317 0.000 9.067) 9.358 21.796 ( 6.846 0.000 0.006) 6.846 22.063 ( 5.211 0.000 -8.233) 9.744 22.268 ( -4.228 0.000 6.466) 7.725 22.628 ( -2.387 0.000 -3.287) 4.062 22.740 ( -5.349 0.000 -1.682) 5.607 22.977 ( 0.559 0.000 2.150) 2.221 23.041 ( 5.096 0.000 2.098) 5.511 23.204 ( 3.428 0.000 0.137) 3.431 23.339 ( 10.834 0.000 1.721) 10.970 23.512 ( -11.429 0.000 8.256) 14.099 24.115 ( -0.774 0.000 -5.271) 5.327 24.568 ( 0.175 0.000 1.509) 1.519 24.683 ( 2.776 0.000 -1.526) 3.168 25.805 ( -3.233 0.000 -0.766) 3.322 25.992 ( 4.185 0.000 3.165) 5.247 26.228 ( -2.111 0.000 -0.237) 2.124 26.382 ( -1.024 0.000 -4.365) 4.484 26.524 ( -0.536 0.000 1.198) 1.312 26.586 ( 0.578 0.000 0.460) 0.738 27.206 ( -2.347 0.000 -0.663) 2.439 27.308 ( 1.176 0.000 -0.246) 1.201 27.550 ( -11.968 0.000 -0.235) 11.971 27.702 ( -4.042 0.000 10.735) 11.471 28.003 ( -2.533 0.000 -3.677) 4.465 28.192 ( -4.283 0.000 0.566) 4.320 28.487 ( -6.034 0.000 -1.391) 6.193 28.599 ( -2.897 0.000 1.919) 3.475 28.777 ( -3.395 0.000 -11.627) 12.112 28.840 ( -9.430 0.000 16.857) 19.315 29.162 ( 7.107 0.000 -1.833) 7.339 29.201 ( -1.791 0.000 -1.505) 2.339 29.249 ( -5.810 0.000 -4.942) 7.627 29.442 ( 3.652 0.000 4.178) 5.549 29.682 ( -5.106 0.000 -0.430) 5.124 29.866 ( -6.349 0.000 -4.575) 7.825 30.127 ( 6.643 0.000 0.748) 6.685 30.240 ( 2.540 0.000 -7.790) 8.194 30.482 ( -6.895 0.000 3.298) 7.644 30.607 ( 8.603 0.000 -0.674) 8.629 30.620 ( 13.067 0.000 -2.962) 13.399 30.879 ( 2.376 0.000 5.485) 5.977 31.142 ( 2.327 0.000 0.779) 2.454 31.283 ( 14.338 0.000 -6.241) 15.638 31.669 ( -2.814 0.000 8.055) 8.532 31.779 ( -2.685 0.000 -2.686) 3.798 31.967 ( 2.930 0.000 -3.948) 4.917 32.272 ( -8.562 0.000 6.142) 10.537 32.327 ( 8.683 0.000 6.632) 10.926 32.780 ( 4.941 0.000 -7.080) 8.634 33.911 ( -3.947 0.000 -5.097) 6.447 33.999 ( -1.184 0.000 4.978) 5.117 34.920 ( -1.680 0.000 6.413) 6.629 34.936 ( -3.694 0.000 -1.478) 3.979 37.438 ( -3.137 0.000 -0.417) 3.165 37.685 ( 3.119 0.000 0.340) 3.138 38.992 ( -1.742 0.000 -0.612) 1.846 39.096 ( 1.426 0.000 1.344) 1.960 40.635 ( 2.819 0.000 1.622) 3.252 40.669 ( 0.152 0.000 -3.973) 3.976 40.700 ( -2.183 0.000 -2.592) 3.389 40.875 ( -2.591 0.000 -0.124) 2.594 42.010 ( -8.827 0.000 0.657) 8.852 42.251 ( -0.861 0.000 0.432) 0.963 42.333 ( -2.747 0.000 1.040) 2.937 42.570 ( 2.047 0.000 2.932) 3.576 43.883 ( 9.656 0.000 2.043) 9.870 43.966 ( 15.131 0.000 -5.095) 15.966 44.406 ( -3.047 0.000 0.891) 3.175 44.542 ( 0.579 0.000 -0.780) 0.972 44.672 ( -1.045 0.000 0.228) 1.069 44.673 ( -0.229 0.000 -1.404) 1.422 44.773 ( -2.093 0.000 2.771) 3.473 44.828 ( -3.002 0.000 -1.936) 3.572 44.919 ( -1.221 0.000 1.523) 1.952 45.005 ( -0.447 0.000 -1.498) 1.563 46.576 ( -15.539 0.000 2.118) 15.682 46.639 ( -0.561 0.000 -0.462) 0.727 46.989 ( -1.868 0.000 4.677) 5.037 47.319 ( -2.638 0.000 -3.025) 4.014 47.437 ( -9.826 0.000 0.380) 9.834 47.846 ( 4.383 0.000 -0.051) 4.384 47.997 ( -4.955 0.000 -3.503) 6.068 48.033 ( 1.501 0.000 5.682) 5.877 48.256 ( -1.485 0.000 -4.412) 4.655 48.666 ( 1.340 0.000 4.303) 4.507 49.605 ( 3.226 0.000 0.923) 3.355 49.886 ( 3.745 0.000 -2.222) 4.354 49.920 ( 5.445 0.000 -0.107) 5.446 50.408 ( 3.599 0.000 -4.953) 6.123 52.250 ( 6.095 0.000 -1.151) 6.202 52.316 ( 5.029 0.000 0.743) 5.083 52.682 ( 0.740 0.000 1.563) 1.729 52.740 ( 1.368 0.000 -1.636) 2.132 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 10.996 0.000 -12.043) 16.308 1.945 ( 7.142 0.000 16.722) 18.184 2.447 ( -11.065 0.000 -6.194) 12.681 2.743 ( 25.019 0.000 -18.092) 30.875 2.750 ( -7.483 0.000 26.443) 27.481 2.809 ( -17.659 0.000 15.658) 23.601 3.285 ( -17.149 0.000 9.409) 19.560 3.375 ( 6.372 0.000 -2.250) 6.758 3.759 ( -6.435 0.000 8.241) 10.455 4.014 ( -21.126 0.000 4.454) 21.590 4.054 ( -10.067 0.000 12.693) 16.201 4.200 ( -0.022 0.000 -8.587) 8.587 4.380 ( -4.529 0.000 -6.016) 7.531 4.416 ( -6.382 0.000 -8.300) 10.470 4.522 ( -2.915 0.000 13.164) 13.483 4.890 ( -5.262 0.000 1.955) 5.614 4.997 ( 16.042 0.000 -14.138) 21.383 5.119 ( 13.663 0.000 10.632) 17.313 5.237 ( 11.055 0.000 -18.131) 21.236 5.280 ( 25.902 0.000 -28.705) 38.664 5.366 ( 0.770 0.000 15.424) 15.444 5.425 ( 1.006 0.000 -0.299) 1.050 5.483 ( 3.679 0.000 -0.928) 3.794 5.643 ( 6.647 0.000 -7.405) 9.951 5.813 ( 4.201 0.000 -6.121) 7.424 5.844 ( 0.704 0.000 -7.997) 8.028 6.039 ( 7.734 0.000 -6.220) 9.924 6.427 ( 0.287 0.000 -4.733) 4.742 6.484 ( -9.099 0.000 -4.382) 10.100 6.797 ( -2.571 0.000 -0.695) 2.663 7.223 ( -6.175 0.000 7.441) 9.669 7.292 ( -1.311 0.000 7.223) 7.341 7.389 ( 1.202 0.000 3.303) 3.515 7.527 ( -5.402 0.000 -1.821) 5.700 7.565 ( -3.792 0.000 8.583) 9.384 7.843 ( -12.745 0.000 12.780) 18.049 7.911 ( -1.687 0.000 0.203) 1.699 7.914 ( 2.702 0.000 -3.760) 4.630 7.986 ( -2.254 0.000 -1.190) 2.549 8.107 ( -5.205 0.000 7.474) 9.108 8.421 ( 2.657 0.000 -0.242) 2.668 8.655 ( -5.035 0.000 1.054) 5.145 8.945 ( 7.217 0.000 -7.529) 10.429 9.126 ( -0.464 0.000 -1.072) 1.168 9.213 ( 4.820 0.000 5.543) 7.346 9.539 ( -8.779 0.000 8.878) 12.486 9.756 ( 6.677 0.000 -1.772) 6.908 10.093 ( 5.644 0.000 -6.770) 8.814 12.233 ( 2.839 0.000 -2.058) 3.506 12.792 ( 11.983 0.000 2.083) 12.162 13.307 ( -14.535 0.000 5.262) 15.458 13.517 ( 4.906 0.000 -6.712) 8.313 13.724 ( -3.287 0.000 -5.891) 6.746 14.341 ( -1.245 0.000 -1.219) 1.742 14.478 ( 10.267 0.000 -12.850) 16.448 14.729 ( -3.251 0.000 2.884) 4.346 16.097 ( -10.507 0.000 16.859) 19.865 16.189 ( 2.549 0.000 2.992) 3.931 16.565 ( -0.277 0.000 3.173) 3.185 16.714 ( -1.308 0.000 2.952) 3.229 17.570 ( 3.569 0.000 5.581) 6.624 18.166 ( 1.886 0.000 -6.793) 7.050 18.166 ( 5.497 0.000 -7.260) 9.107 18.530 ( 3.369 0.000 -0.511) 3.407 18.616 ( -7.731 0.000 3.644) 8.547 18.759 ( 0.160 0.000 -0.965) 0.978 18.914 ( -11.910 0.000 -4.196) 12.627 18.992 ( -0.608 0.000 1.981) 2.072 20.075 ( 7.143 0.000 -0.576) 7.166 20.255 ( 4.429 0.000 -21.362) 21.817 20.694 ( 5.682 0.000 21.732) 22.463 20.972 ( 0.954 0.000 -1.712) 1.960 21.168 ( -2.177 0.000 -10.056) 10.289 21.781 ( -10.619 0.000 18.791) 21.584 21.856 ( 10.674 0.000 0.211) 10.676 21.929 ( 8.511 0.000 4.446) 9.603 22.175 ( 16.297 0.000 -7.499) 17.939 22.254 ( -4.722 0.000 3.143) 5.672 22.559 ( -0.136 0.000 -3.204) 3.207 22.698 ( 0.366 0.000 0.569) 0.677 23.020 ( 0.497 0.000 3.844) 3.876 23.075 ( 0.261 0.000 0.105) 0.281 23.225 ( 1.504 0.000 -3.461) 3.774 23.447 ( -11.594 0.000 10.294) 15.504 23.478 ( 4.300 0.000 -1.477) 4.547 24.066 ( 0.432 0.000 -0.216) 0.483 24.596 ( -0.625 0.000 3.244) 3.303 24.717 ( 2.266 0.000 -0.182) 2.273 25.754 ( -1.921 0.000 -0.858) 2.104 26.067 ( 2.510 0.000 -1.393) 2.871 26.207 ( -1.236 0.000 1.454) 1.909 26.316 ( -0.909 0.000 -1.868) 2.078 26.533 ( -0.195 0.000 0.936) 0.956 26.594 ( 0.335 0.000 -0.295) 0.447 27.153 ( -2.997 0.000 -4.998) 5.828 27.228 ( -1.353 0.000 -12.402) 12.475 27.365 ( -4.812 0.000 -4.358) 6.492 27.739 ( -5.249 0.000 4.798) 7.112 27.953 ( 0.276 0.000 -1.826) 1.847 28.147 ( -1.887 0.000 -0.352) 1.919 28.426 ( -0.253 0.000 -0.143) 0.290 28.516 ( -3.045 0.000 -4.958) 5.818 28.593 ( -1.094 0.000 -8.699) 8.768 28.889 ( -10.599 0.000 14.174) 17.699 29.129 ( -1.243 0.000 -2.407) 2.709 29.239 ( 4.334 0.000 -0.840) 4.415 29.267 ( -1.184 0.000 11.361) 11.423 29.594 ( -6.062 0.000 0.299) 6.070 29.611 ( 3.590 0.000 12.786) 13.281 29.772 ( -1.244 0.000 0.217) 1.263 30.152 ( 3.984 0.000 -6.334) 7.483 30.250 ( 3.416 0.000 -1.290) 3.651 30.424 ( -4.184 0.000 3.240) 5.292 30.724 ( 6.443 0.000 -4.266) 7.727 30.735 ( 4.752 0.000 2.208) 5.240 30.969 ( 3.217 0.000 -0.837) 3.324 31.167 ( 0.913 0.000 -1.208) 1.514 31.384 ( 9.316 0.000 -6.435) 11.322 31.660 ( -6.499 0.000 5.248) 8.354 31.806 ( 3.435 0.000 3.008) 4.565 31.954 ( 2.933 0.000 -4.873) 5.688 32.227 ( -9.172 0.000 10.253) 13.757 32.452 ( 2.238 0.000 -3.760) 4.376 32.824 ( 5.657 0.000 3.313) 6.555 33.829 ( -0.123 0.000 -2.420) 2.423 34.003 ( -3.418 0.000 1.823) 3.874 34.870 ( -1.192 0.000 -3.401) 3.604 34.922 ( -3.332 0.000 -0.307) 3.347 37.406 ( -1.634 0.000 1.318) 2.099 37.720 ( 1.662 0.000 -1.020) 1.950 38.966 ( -0.656 0.000 -0.441) 0.790 39.114 ( 0.397 0.000 -0.741) 0.841 40.642 ( 1.143 0.000 -1.540) 1.918 40.666 ( 0.563 0.000 -0.408) 0.695 40.700 ( 2.884 0.000 1.580) 3.289 40.830 ( -3.794 0.000 0.702) 3.858 41.915 ( -4.797 0.000 1.203) 4.945 42.246 ( -0.414 0.000 0.064) 0.419 42.302 ( -2.019 0.000 0.118) 2.022 42.585 ( -0.038 0.000 -3.160) 3.160 44.060 ( 6.478 0.000 4.770) 8.045 44.125 ( 12.466 0.000 -3.666) 12.993 44.360 ( -3.445 0.000 0.475) 3.477 44.535 ( 0.669 0.000 -1.836) 1.954 44.654 ( -2.583 0.000 1.561) 3.018 44.658 ( 0.592 0.000 -1.362) 1.485 44.778 ( -1.673 0.000 2.486) 2.996 44.778 ( -1.707 0.000 0.186) 1.717 44.907 ( -1.544 0.000 0.012) 1.544 44.985 ( 0.145 0.000 -1.301) 1.309 46.394 ( -11.364 0.000 2.123) 11.561 46.620 ( 0.800 0.000 -2.948) 3.055 47.053 ( 3.141 0.000 3.683) 4.840 47.258 ( -0.528 0.000 -2.327) 2.386 47.288 ( -10.238 0.000 0.835) 10.272 47.838 ( 0.909 0.000 -9.485) 9.528 47.951 ( 0.607 0.000 3.208) 3.265 48.114 ( -0.046 0.000 1.456) 1.456 48.191 ( -0.710 0.000 1.335) 1.512 48.686 ( -3.895 0.000 2.507) 4.632 49.662 ( 2.388 0.000 0.911) 2.555 49.923 ( 3.871 0.000 -3.375) 5.136 49.998 ( 4.052 0.000 2.118) 4.572 50.400 ( 2.164 0.000 -3.049) 3.739 52.318 ( 3.866 0.000 0.014) 3.866 52.398 ( 2.580 0.000 1.746) 3.115 52.708 ( 0.052 0.000 1.483) 1.484 52.746 ( 1.541 0.000 -0.750) 1.714 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 17.770 0.000 -0.299) 17.773 1.842 ( -21.345 0.000 -4.674) 21.851 2.524 ( -38.423 0.000 10.654) 39.873 2.580 ( 10.194 0.000 15.775) 18.782 2.820 ( -7.357 0.000 11.965) 14.046 3.087 ( 33.794 0.000 -1.760) 33.840 3.380 ( -4.330 0.000 19.479) 19.954 3.548 ( 7.397 0.000 10.484) 12.831 3.728 ( -9.295 0.000 5.534) 10.818 3.853 ( -8.021 0.000 8.238) 11.498 3.992 ( -7.691 0.000 -1.706) 7.878 4.096 ( -4.441 0.000 -0.919) 4.535 4.266 ( 2.709 0.000 -10.915) 11.246 4.285 ( 4.458 0.000 -7.015) 8.311 4.504 ( -18.877 0.000 -6.981) 20.126 4.606 ( -11.755 0.000 -6.343) 13.357 4.958 ( -14.770 0.000 -15.160) 21.165 5.056 ( 17.250 0.000 -18.240) 25.105 5.236 ( 14.564 0.000 -12.422) 19.142 5.270 ( -14.145 0.000 -3.507) 14.574 5.401 ( 28.723 0.000 -19.839) 34.909 5.466 ( 0.826 0.000 1.339) 1.573 5.596 ( -4.783 0.000 1.941) 5.162 5.650 ( 3.642 0.000 -3.001) 4.719 5.778 ( -0.421 0.000 -3.125) 3.154 5.906 ( 10.563 0.000 1.069) 10.617 6.045 ( 7.390 0.000 -11.669) 13.812 6.421 ( 3.198 0.000 -6.206) 6.981 6.574 ( 13.533 0.000 14.404) 19.764 6.939 ( 7.088 0.000 15.230) 16.799 7.230 ( -0.924 0.000 2.862) 3.007 7.352 ( -5.067 0.000 9.329) 10.616 7.363 ( -3.016 0.000 -1.702) 3.463 7.571 ( 4.500 0.000 6.699) 8.070 7.600 ( -5.557 0.000 6.473) 8.531 7.806 ( -13.443 0.000 14.523) 19.789 7.856 ( -4.314 0.000 -0.016) 4.315 7.988 ( 7.209 0.000 2.295) 7.566 8.016 ( 3.413 0.000 4.045) 5.293 8.076 ( -6.523 0.000 2.815) 7.104 8.391 ( -2.592 0.000 -4.609) 5.288 8.573 ( -4.262 0.000 -2.785) 5.091 8.920 ( 4.519 0.000 -10.870) 11.772 9.096 ( -0.544 0.000 -2.536) 2.594 9.344 ( 1.368 0.000 6.553) 6.695 9.478 ( -12.301 0.000 8.040) 14.696 9.808 ( 1.877 0.000 -1.004) 2.129 10.077 ( 4.512 0.000 -8.138) 9.305 12.320 ( 5.577 0.000 5.575) 7.886 12.957 ( 3.017 0.000 1.831) 3.529 13.097 ( -12.270 0.000 -1.917) 12.419 13.549 ( 4.443 0.000 -5.245) 6.874 13.619 ( 3.956 0.000 -7.590) 8.559 13.888 ( -11.392 0.000 -25.652) 28.068 14.650 ( -5.082 0.000 -1.586) 5.324 14.784 ( 13.477 0.000 2.526) 13.711 16.204 ( -7.308 0.000 22.696) 23.844 16.396 ( 7.225 0.000 14.780) 16.451 16.663 ( 2.417 0.000 9.504) 9.806 16.740 ( -1.682 0.000 5.137) 5.406 17.557 ( -6.428 0.000 0.282) 6.434 18.163 ( 5.973 0.000 -10.200) 11.821 18.257 ( 9.625 0.000 5.223) 10.951 18.488 ( -3.885 0.000 -5.976) 7.128 18.540 ( -4.512 0.000 -1.248) 4.682 18.716 ( -1.432 0.000 -4.468) 4.692 18.836 ( 6.496 0.000 0.331) 6.505 18.960 ( -4.082 0.000 -2.160) 4.618 20.045 ( 0.744 0.000 -17.209) 17.225 20.064 ( -2.931 0.000 -5.842) 6.536 20.896 ( -7.659 0.000 10.655) 13.122 21.008 ( 3.784 0.000 1.478) 4.062 21.217 ( 14.901 0.000 4.575) 15.588 21.870 ( -10.487 0.000 19.669) 22.290 21.920 ( -2.411 0.000 -3.524) 4.270 21.958 ( -5.954 0.000 -0.102) 5.955 22.223 ( -3.318 0.000 1.636) 3.700 22.278 ( 8.600 0.000 -6.413) 10.728 22.597 ( 7.388 0.000 1.159) 7.479 22.750 ( 1.468 0.000 4.795) 5.014 23.091 ( -0.794 0.000 -1.693) 1.870 23.103 ( 1.479 0.000 7.798) 7.937 23.176 ( 1.905 0.000 -4.403) 4.797 23.424 ( -3.838 0.000 -3.516) 5.205 23.424 ( -9.357 0.000 10.193) 13.837 24.118 ( 0.854 0.000 5.197) 5.267 24.624 ( -1.615 0.000 4.044) 4.354 24.737 ( 0.650 0.000 -0.068) 0.654 25.733 ( 1.016 0.000 -1.028) 1.445 26.011 ( -1.823 0.000 -6.862) 7.100 26.226 ( 0.096 0.000 2.650) 2.652 26.328 ( 2.880 0.000 -0.490) 2.921 26.538 ( -0.783 0.000 0.971) 1.247 26.592 ( -0.022 0.000 -0.567) 0.568 26.982 ( 1.650 0.000 -15.139) 15.228 26.988 ( -0.757 0.000 -22.382) 22.394 27.360 ( 4.296 0.000 1.099) 4.434 27.639 ( -8.398 0.000 -3.400) 9.061 27.964 ( 2.193 0.000 0.743) 2.315 28.114 ( -1.067 0.000 -2.047) 2.308 28.409 ( -0.952 0.000 -1.129) 1.477 28.422 ( -0.980 0.000 -4.625) 4.728 28.645 ( 13.445 0.000 1.298) 13.508 28.830 ( -11.518 0.000 3.116) 11.933 29.106 ( -3.001 0.000 3.034) 4.268 29.295 ( 3.732 0.000 0.456) 3.760 29.443 ( 1.353 0.000 15.175) 15.235 29.515 ( -7.685 0.000 5.279) 9.323 29.825 ( 1.266 0.000 14.268) 14.324 29.832 ( 2.110 0.000 6.997) 7.309 30.151 ( 4.824 0.000 -5.518) 7.330 30.259 ( 0.259 0.000 -0.467) 0.534 30.446 ( 0.616 0.000 4.470) 4.513 30.706 ( 2.108 0.000 -9.410) 9.643 30.787 ( -1.662 0.000 2.333) 2.865 30.941 ( -2.767 0.000 -2.317) 3.609 31.138 ( -0.752 0.000 -3.427) 3.508 31.412 ( 5.707 0.000 -8.028) 9.850 31.609 ( -6.305 0.000 1.327) 6.444 31.925 ( 4.364 0.000 6.725) 8.017 31.947 ( 4.462 0.000 -5.212) 6.861 32.280 ( -6.911 0.000 18.554) 19.799 32.338 ( -3.657 0.000 -9.791) 10.452 32.969 ( 2.109 0.000 6.825) 7.143 33.852 ( 3.905 0.000 1.097) 4.056 33.951 ( -3.572 0.000 -1.211) 3.771 34.812 ( 0.800 0.000 -5.558) 5.616 34.825 ( -2.898 0.000 -6.460) 7.080 37.422 ( 0.032 0.000 3.251) 3.251 37.707 ( -0.098 0.000 -2.784) 2.786 38.962 ( 0.406 0.000 0.113) 0.421 39.092 ( -0.510 0.000 -2.544) 2.594 40.677 ( 3.176 0.000 1.702) 3.603 40.699 ( 1.847 0.000 2.296) 2.946 40.754 ( 2.122 0.000 0.394) 2.158 40.772 ( -4.927 0.000 0.770) 4.987 41.901 ( -0.240 0.000 2.994) 3.004 42.235 ( -0.462 0.000 -0.686) 0.827 42.281 ( -0.359 0.000 -0.369) 0.515 42.499 ( -1.011 0.000 -8.685) 8.744 44.125 ( -5.308 0.000 2.777) 5.990 44.248 ( 7.300 0.000 -1.094) 7.381 44.355 ( 0.861 0.000 2.347) 2.500 44.520 ( 0.701 0.000 -2.240) 2.347 44.638 ( -2.393 0.000 2.373) 3.370 44.668 ( 1.993 0.000 0.176) 2.001 44.776 ( -1.890 0.000 1.450) 2.383 44.782 ( 0.766 0.000 1.384) 1.582 44.880 ( -0.743 0.000 -1.134) 1.355 44.980 ( 1.426 0.000 -1.292) 1.925 46.281 ( -5.639 0.000 0.285) 5.647 46.596 ( 2.179 0.000 -4.335) 4.852 47.134 ( -6.527 0.000 3.243) 7.289 47.189 ( 3.492 0.000 1.875) 3.964 47.253 ( 2.161 0.000 -0.720) 2.278 47.730 ( 2.273 0.000 -10.794) 11.031 48.009 ( 1.870 0.000 2.258) 2.932 48.057 ( -3.193 0.000 -2.142) 3.845 48.288 ( 3.088 0.000 7.288) 7.915 48.632 ( -3.663 0.000 -1.062) 3.813 49.692 ( -0.436 0.000 1.330) 1.400 49.903 ( 0.087 0.000 -4.169) 4.170 50.086 ( 1.164 0.000 4.380) 4.531 50.403 ( 2.629 0.000 -2.458) 3.599 52.374 ( 2.145 0.000 1.757) 2.773 52.416 ( -1.988 0.000 0.480) 2.045 52.717 ( -1.268 0.000 1.532) 1.988 52.768 ( 1.176 0.000 0.512) 1.283 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -26.452 0.000 -4.500) 26.832 2.014 ( -44.884 0.000 19.370) 48.885 2.147 ( 16.194 0.000 1.389) 16.253 2.871 ( -6.215 0.000 10.498) 12.199 2.888 ( 7.050 0.000 11.165) 13.204 3.309 ( -31.702 0.000 -18.674) 36.793 3.480 ( -11.997 0.000 1.424) 12.081 3.631 ( 24.926 0.000 13.251) 28.229 3.772 ( -8.849 0.000 -10.455) 13.697 3.794 ( 1.190 0.000 18.717) 18.755 4.005 ( 17.221 0.000 2.883) 17.460 4.021 ( -14.365 0.000 -4.744) 15.128 4.085 ( -13.524 0.000 14.783) 20.036 4.203 ( 9.772 0.000 -13.948) 17.031 4.258 ( -17.535 0.000 -9.808) 20.092 4.406 ( 15.974 0.000 0.033) 15.974 4.717 ( -7.343 0.000 1.299) 7.457 5.094 ( 13.352 0.000 -13.698) 19.129 5.101 ( -0.488 0.000 -4.389) 4.416 5.322 ( 12.398 0.000 -10.076) 15.976 5.423 ( 2.086 0.000 -10.595) 10.798 5.505 ( -3.175 0.000 -3.277) 4.563 5.600 ( 12.039 0.000 -6.544) 13.702 5.696 ( -2.544 0.000 7.205) 7.641 5.809 ( 19.733 0.000 -9.980) 22.113 6.022 ( 9.681 0.000 -8.576) 12.933 6.062 ( 7.554 0.000 2.333) 7.906 6.358 ( 2.616 0.000 -10.009) 10.345 6.978 ( 11.038 0.000 13.881) 17.734 7.199 ( -0.218 0.000 8.748) 8.750 7.218 ( -2.205 0.000 -4.833) 5.313 7.366 ( 2.498 0.000 8.113) 8.489 7.366 ( -1.046 0.000 2.066) 2.316 7.495 ( -9.519 0.000 -3.699) 10.213 7.755 ( 9.069 0.000 5.218) 10.463 7.772 ( -8.878 0.000 7.379) 11.544 7.843 ( -11.650 0.000 14.517) 18.613 8.015 ( -2.564 0.000 1.796) 3.131 8.158 ( 6.555 0.000 5.309) 8.435 8.172 ( 10.193 0.000 4.529) 11.154 8.249 ( -6.214 0.000 -6.112) 8.716 8.469 ( -5.653 0.000 -0.798) 5.709 8.829 ( 3.616 0.000 -13.164) 13.652 9.052 ( -1.584 0.000 -1.355) 2.084 9.338 ( -15.077 0.000 8.925) 17.521 9.434 ( -4.099 0.000 5.987) 7.256 9.774 ( -3.223 0.000 -2.997) 4.401 10.045 ( 3.846 0.000 -6.886) 7.887 12.527 ( 5.787 0.000 13.028) 14.255 12.697 ( -19.508 0.000 -8.032) 21.097 13.109 ( 2.100 0.000 0.022) 2.100 13.421 ( -0.150 0.000 -15.067) 15.068 13.485 ( -6.739 0.000 -13.265) 14.878 13.722 ( 10.387 0.000 -0.452) 10.397 14.600 ( -2.205 0.000 3.146) 3.842 14.913 ( 8.573 0.000 -6.692) 10.876 16.334 ( -9.241 0.000 14.899) 17.532 16.688 ( 7.854 0.000 10.397) 13.030 16.798 ( -0.664 0.000 7.742) 7.770 16.910 ( 9.720 0.000 15.812) 18.561 17.516 ( -3.950 0.000 8.886) 9.724 18.123 ( 4.581 0.000 -8.609) 9.752 18.238 ( -3.007 0.000 -11.836) 12.212 18.418 ( -6.660 0.000 -4.849) 8.238 18.573 ( 9.426 0.000 7.899) 12.298 18.644 ( 4.615 0.000 -10.083) 11.088 18.827 ( -5.346 0.000 -5.365) 7.574 19.010 ( 11.692 0.000 1.408) 11.777 19.875 ( -10.007 0.000 -6.714) 12.051 19.886 ( -2.327 0.000 -6.377) 6.788 20.896 ( -3.498 0.000 4.817) 5.953 21.124 ( 7.908 0.000 2.812) 8.393 21.510 ( 8.575 0.000 8.919) 12.373 21.598 ( -19.901 0.000 -11.054) 22.764 21.899 ( -12.526 0.000 13.912) 18.720 21.921 ( -5.416 0.000 2.225) 5.856 22.188 ( -4.182 0.000 1.656) 4.498 22.353 ( 12.345 0.000 -5.832) 13.654 22.760 ( 7.253 0.000 4.093) 8.328 22.855 ( 0.901 0.000 9.215) 9.259 22.951 ( -3.709 0.000 -10.213) 10.865 23.189 ( 0.632 0.000 -2.148) 2.239 23.261 ( -3.573 0.000 -10.019) 10.637 23.265 ( 4.390 0.000 10.443) 11.328 23.509 ( -14.042 0.000 34.408) 37.163 24.176 ( 0.450 0.000 1.529) 1.594 24.642 ( -2.334 0.000 3.658) 4.339 24.752 ( 0.828 0.000 1.280) 1.524 25.770 ( 4.069 0.000 0.646) 4.120 25.885 ( -1.489 0.000 -8.668) 8.795 26.262 ( 0.478 0.000 1.819) 1.881 26.322 ( 2.893 0.000 -11.942) 12.288 26.531 ( -1.645 0.000 0.694) 1.785 26.575 ( -0.949 0.000 -0.875) 1.291 26.703 ( 1.661 0.000 -21.364) 21.429 26.915 ( 11.137 0.000 -11.185) 15.784 27.430 ( -9.664 0.000 -6.808) 11.822 27.487 ( 7.550 0.000 4.439) 8.758 28.029 ( 3.331 0.000 2.220) 4.003 28.055 ( -1.303 0.000 -4.055) 4.260 28.377 ( 0.506 0.000 -2.688) 2.735 28.423 ( 4.002 0.000 0.202) 4.008 28.635 ( -10.747 0.000 -5.255) 11.963 28.938 ( 18.223 0.000 3.285) 18.517 29.103 ( -3.960 0.000 5.844) 7.059 29.351 ( 3.659 0.000 -1.293) 3.880 29.511 ( -6.259 0.000 11.581) 13.164 29.621 ( -0.429 0.000 10.634) 10.642 29.952 ( 1.330 0.000 4.392) 4.589 29.994 ( -1.885 0.000 15.319) 15.434 30.094 ( -3.035 0.000 -6.630) 7.292 30.327 ( 5.735 0.000 4.497) 7.288 30.533 ( 4.309 0.000 2.642) 5.054 30.572 ( -0.444 0.000 -12.880) 12.888 30.742 ( -7.655 0.000 2.085) 7.934 30.877 ( -4.883 0.000 2.615) 5.539 31.071 ( -1.823 0.000 -3.477) 3.926 31.356 ( 2.902 0.000 -11.209) 11.579 31.523 ( -5.817 0.000 0.814) 5.874 31.966 ( 6.163 0.000 -4.820) 7.824 32.074 ( 4.440 0.000 5.382) 6.977 32.148 ( -6.130 0.000 -7.856) 9.964 32.465 ( -6.604 0.000 27.842) 28.614 33.015 ( -2.497 0.000 1.089) 2.724 33.869 ( -3.270 0.000 -3.535) 4.816 33.957 ( 5.965 0.000 2.841) 6.607 34.709 ( -0.928 0.000 -6.231) 6.300 34.751 ( 1.859 0.000 -7.953) 8.167 37.479 ( 0.965 0.000 4.311) 4.417 37.656 ( -0.919 0.000 -3.758) 3.869 38.977 ( 0.830 0.000 0.490) 0.964 39.043 ( -1.063 0.000 -3.072) 3.250 40.695 ( -5.253 0.000 -0.265) 5.260 40.761 ( 1.612 0.000 2.901) 3.319 40.763 ( 3.305 0.000 3.071) 4.512 40.769 ( 0.951 0.000 -2.503) 2.678 41.980 ( 3.127 0.000 5.847) 6.631 42.217 ( 0.236 0.000 -2.034) 2.048 42.281 ( 0.873 0.000 -0.534) 1.023 42.372 ( -0.091 0.000 -8.947) 8.948 44.018 ( -9.976 0.000 0.809) 10.009 44.318 ( 0.467 0.000 3.170) 3.204 44.395 ( 0.288 0.000 1.793) 1.816 44.504 ( 0.841 0.000 -2.081) 2.245 44.645 ( -0.049 0.000 1.794) 1.795 44.710 ( 0.664 0.000 2.169) 2.268 44.757 ( -1.810 0.000 0.292) 1.833 44.824 ( 3.385 0.000 -0.969) 3.521 44.872 ( 0.873 0.000 0.978) 1.311 44.995 ( 2.819 0.000 -1.700) 3.291 46.208 ( -2.049 0.000 -3.751) 4.274 46.586 ( 2.895 0.000 -3.362) 4.437 47.038 ( -7.718 0.000 2.382) 8.077 47.294 ( 3.701 0.000 -0.531) 3.739 47.333 ( 7.926 0.000 3.348) 8.604 47.654 ( 4.973 0.000 -10.104) 11.261 47.989 ( -3.294 0.000 -0.746) 3.378 48.063 ( 2.322 0.000 1.534) 2.783 48.445 ( 4.343 0.000 9.189) 10.164 48.560 ( -1.694 0.000 -3.832) 4.189 49.682 ( -3.628 0.000 2.111) 4.198 49.836 ( -1.881 0.000 -4.008) 4.428 50.124 ( -3.681 0.000 4.671) 5.947 50.409 ( 3.309 0.000 -4.682) 5.734 52.367 ( -3.828 0.000 -0.310) 3.841 52.433 ( 1.291 0.000 3.931) 4.138 52.708 ( -2.612 0.000 1.918) 3.240 52.783 ( -0.044 0.000 0.397) 0.399 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -29.633 0.000 -1.641) 29.678 1.549 ( -53.022 0.000 30.256) 61.047 2.060 ( -52.237 0.000 -19.641) 55.807 2.520 ( 6.961 0.000 -1.509) 7.122 3.004 ( -0.619 0.000 2.944) 3.009 3.067 ( 3.286 0.000 5.561) 6.459 3.353 ( -14.846 0.000 -2.466) 15.050 3.485 ( -9.809 0.000 -2.677) 10.168 3.729 ( -9.040 0.000 -3.913) 9.850 3.983 ( -11.893 0.000 8.018) 14.344 4.015 ( 7.819 0.000 7.761) 11.017 4.155 ( 14.266 0.000 11.914) 18.586 4.173 ( -10.342 0.000 13.214) 16.780 4.244 ( 11.911 0.000 0.966) 11.950 4.351 ( 25.748 0.000 -3.242) 25.952 4.652 ( -6.753 0.000 4.933) 8.363 4.701 ( 16.340 0.000 3.531) 16.717 5.098 ( 5.732 0.000 -10.001) 11.527 5.129 ( 7.625 0.000 -1.751) 7.823 5.236 ( 2.251 0.000 -17.224) 17.370 5.404 ( 3.432 0.000 -2.654) 4.338 5.440 ( 1.356 0.000 -5.239) 5.412 5.542 ( -0.963 0.000 -11.490) 11.530 5.792 ( -2.021 0.000 10.581) 10.772 5.987 ( 16.184 0.000 -5.253) 17.015 6.200 ( 5.349 0.000 3.465) 6.374 6.252 ( 28.015 0.000 -8.020) 29.141 6.270 ( 3.565 0.000 -11.169) 11.725 7.024 ( -2.609 0.000 -16.297) 16.504 7.198 ( -0.043 0.000 2.096) 2.096 7.226 ( 0.996 0.000 6.778) 6.851 7.242 ( -7.980 0.000 -12.629) 14.939 7.411 ( 0.284 0.000 2.948) 2.961 7.528 ( -1.141 0.000 10.784) 10.844 7.722 ( -5.567 0.000 0.084) 5.567 7.780 ( -9.589 0.000 6.790) 11.750 7.924 ( 8.443 0.000 -3.537) 9.154 8.067 ( -5.581 0.000 12.561) 13.745 8.087 ( -5.531 0.000 -4.351) 7.037 8.299 ( 5.549 0.000 1.746) 5.818 8.368 ( 8.095 0.000 1.544) 8.241 8.412 ( -7.236 0.000 8.711) 11.324 8.742 ( 5.563 0.000 -9.930) 11.382 9.044 ( -0.402 0.000 4.509) 4.527 9.202 ( -16.404 0.000 9.112) 18.764 9.421 ( -7.745 0.000 6.608) 10.181 9.652 ( -4.426 0.000 -6.121) 7.554 10.028 ( 2.727 0.000 -4.169) 4.982 12.317 ( -14.299 0.000 -8.829) 16.806 12.781 ( 2.461 0.000 15.083) 15.282 13.018 ( -9.990 0.000 -0.222) 9.992 13.232 ( 0.231 0.000 -12.313) 12.315 13.418 ( 4.849 0.000 -0.270) 4.856 13.872 ( 9.341 0.000 -0.773) 9.373 14.634 ( -0.475 0.000 3.683) 3.713 14.936 ( 6.156 0.000 -6.099) 8.666 16.300 ( -8.350 0.000 3.678) 9.124 16.831 ( 2.534 0.000 1.502) 2.946 16.890 ( 2.298 0.000 0.963) 2.492 17.218 ( 7.955 0.000 5.542) 9.695 17.711 ( 2.266 0.000 25.176) 25.278 18.044 ( -0.424 0.000 -14.125) 14.132 18.104 ( 1.182 0.000 -3.452) 3.648 18.233 ( -4.207 0.000 -9.599) 10.481 18.582 ( 4.645 0.000 -12.333) 13.179 18.775 ( 5.672 0.000 0.167) 5.675 18.788 ( 6.962 0.000 5.210) 8.696 19.159 ( 6.599 0.000 -1.438) 6.754 19.658 ( -9.379 0.000 -1.757) 9.542 19.795 ( -6.084 0.000 0.636) 6.117 20.895 ( -2.924 0.000 2.386) 3.774 21.121 ( -19.485 0.000 -12.260) 23.021 21.320 ( 9.716 0.000 3.910) 10.474 21.627 ( -2.264 0.000 1.853) 2.926 21.853 ( -5.712 0.000 1.123) 5.822 21.885 ( -8.057 0.000 9.136) 12.181 22.125 ( -6.953 0.000 2.364) 7.344 22.484 ( 12.116 0.000 -5.200) 13.185 22.794 ( -2.978 0.000 -6.175) 6.855 22.885 ( 0.770 0.000 5.450) 5.504 22.979 ( 4.062 0.000 4.654) 6.177 23.048 ( -0.652 0.000 -15.108) 15.122 23.163 ( -2.206 0.000 -1.797) 2.845 23.419 ( 5.554 0.000 1.759) 5.826 24.043 ( -4.873 0.000 81.248) 81.394 24.175 ( 1.973 0.000 -3.764) 4.249 24.643 ( -2.211 0.000 2.387) 3.254 24.786 ( 1.147 0.000 1.023) 1.537 25.733 ( 2.300 0.000 -22.973) 23.088 25.855 ( 3.583 0.000 2.595) 4.424 26.032 ( -6.070 0.000 -24.470) 25.211 26.278 ( -0.030 0.000 0.389) 0.390 26.506 ( 0.267 0.000 -2.279) 2.294 26.554 ( -0.446 0.000 -0.389) 0.592 26.595 ( 0.675 0.000 -1.726) 1.853 27.016 ( 13.019 0.000 -4.071) 13.641 27.211 ( -8.817 0.000 -4.459) 9.880 27.678 ( 7.759 0.000 5.757) 9.662 28.006 ( 1.015 0.000 -2.432) 2.636 28.109 ( 3.827 0.000 2.094) 4.363 28.316 ( -5.550 0.000 -5.251) 7.640 28.452 ( -2.607 0.000 -3.063) 4.023 28.524 ( 7.418 0.000 0.933) 7.477 29.062 ( -2.287 0.000 1.776) 2.896 29.288 ( 12.902 0.000 5.355) 13.969 29.375 ( 2.201 0.000 -1.754) 2.814 29.589 ( -2.520 0.000 10.595) 10.890 29.693 ( 0.082 0.000 3.599) 3.600 29.926 ( -6.800 0.000 -6.705) 9.550 29.931 ( -4.194 0.000 -3.222) 5.289 30.150 ( 0.379 0.000 10.352) 10.359 30.424 ( -2.898 0.000 -5.223) 5.973 30.453 ( 2.539 0.000 -0.773) 2.654 30.591 ( -2.530 0.000 -2.782) 3.760 30.675 ( 0.302 0.000 6.910) 6.917 30.863 ( -1.290 0.000 1.898) 2.295 31.017 ( -2.117 0.000 0.012) 2.117 31.247 ( 1.471 0.000 -11.611) 11.704 31.454 ( -5.572 0.000 2.059) 5.940 31.967 ( -3.790 0.000 -6.507) 7.530 32.019 ( 4.098 0.000 -1.778) 4.467 32.184 ( 2.803 0.000 3.579) 4.546 32.766 ( -3.505 0.000 33.802) 33.983 32.943 ( -2.720 0.000 -4.871) 5.579 33.774 ( -2.907 0.000 -3.465) 4.523 34.081 ( 5.453 0.000 2.182) 5.873 34.659 ( 0.463 0.000 -1.361) 1.438 34.673 ( 0.490 0.000 -6.168) 6.188 37.545 ( 0.611 0.000 3.823) 3.871 37.599 ( -0.380 0.000 -3.475) 3.495 38.993 ( -0.923 0.000 -2.178) 2.366 38.993 ( 0.278 0.000 0.560) 0.626 40.613 ( -4.169 0.000 -1.020) 4.292 40.709 ( -1.029 0.000 -7.770) 7.838 40.802 ( 0.442 0.000 1.102) 1.188 40.839 ( 1.934 0.000 1.952) 2.748 42.128 ( 3.912 0.000 8.981) 9.796 42.187 ( 1.885 0.000 -4.905) 5.255 42.287 ( 0.601 0.000 -0.621) 0.864 42.313 ( 1.631 0.000 -2.289) 2.810 43.868 ( -9.665 0.000 0.031) 9.665 44.362 ( -1.672 0.000 5.837) 6.072 44.412 ( -0.225 0.000 1.225) 1.246 44.495 ( 1.084 0.000 -1.834) 2.131 44.665 ( 1.595 0.000 -1.625) 2.278 44.730 ( -0.583 0.000 1.217) 1.349 44.743 ( -1.114 0.000 2.138) 2.411 44.847 ( 2.061 0.000 -1.145) 2.358 44.927 ( 2.718 0.000 1.514) 3.112 45.014 ( 3.583 0.000 -3.607) 5.084 46.101 ( -4.706 0.000 -4.994) 6.862 46.601 ( 2.698 0.000 -1.392) 3.036 46.966 ( -5.731 0.000 2.639) 6.310 47.342 ( 4.614 0.000 -1.955) 5.011 47.493 ( 7.184 0.000 3.522) 8.001 47.636 ( 6.277 0.000 -6.955) 9.369 47.941 ( -3.077 0.000 1.020) 3.242 48.121 ( 3.182 0.000 1.102) 3.367 48.488 ( -0.237 0.000 -5.162) 5.167 48.657 ( 6.358 0.000 12.593) 14.107 49.639 ( -5.788 0.000 2.968) 6.504 49.759 ( -1.572 0.000 -3.788) 4.101 50.094 ( -7.348 0.000 4.680) 8.712 50.356 ( 2.156 0.000 -13.270) 13.444 52.307 ( -3.183 0.000 -0.481) 3.219 52.512 ( 2.238 0.000 3.831) 4.436 52.690 ( -3.152 0.000 2.293) 3.898 52.777 ( -0.706 0.000 -0.251) 0.749 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -27.542 0.000 10.665) 29.535 0.841 ( -51.636 0.000 4.989) 51.877 1.429 ( -55.549 0.000 63.403) 84.295 2.636 ( 6.114 0.000 -5.954) 8.534 2.939 ( 1.191 0.000 -11.533) 11.594 3.074 ( -7.279 0.000 -1.584) 7.450 3.136 ( 0.229 0.000 1.570) 1.587 3.541 ( -4.447 0.000 19.629) 20.127 3.665 ( -5.087 0.000 9.766) 11.012 3.958 ( -7.777 0.000 11.919) 14.232 4.128 ( 4.521 0.000 -6.584) 7.987 4.155 ( -10.763 0.000 11.557) 15.792 4.302 ( 9.763 0.000 -5.038) 10.986 4.535 ( 12.467 0.000 -5.371) 13.575 4.623 ( -7.445 0.000 7.341) 10.455 4.681 ( 11.214 0.000 -0.841) 11.246 4.885 ( 7.727 0.000 1.768) 7.926 5.079 ( -0.692 0.000 -3.499) 3.567 5.104 ( 8.540 0.000 -5.716) 10.277 5.224 ( 6.455 0.000 -3.215) 7.211 5.336 ( -5.523 0.000 -7.270) 9.130 5.423 ( 5.196 0.000 -4.670) 6.986 5.425 ( 4.174 0.000 -5.836) 7.175 5.871 ( -4.716 0.000 10.582) 11.585 6.136 ( 13.828 0.000 -16.161) 21.269 6.179 ( 3.747 0.000 -10.985) 11.607 6.329 ( 5.018 0.000 2.132) 5.453 6.439 ( 17.459 0.000 -21.435) 27.646 6.871 ( 4.027 0.000 -7.927) 8.891 7.012 ( 2.272 0.000 -11.470) 11.693 7.187 ( -1.370 0.000 0.671) 1.525 7.281 ( -2.733 0.000 1.321) 3.035 7.445 ( 0.385 0.000 2.427) 2.457 7.566 ( -5.576 0.000 3.696) 6.690 7.600 ( -6.808 0.000 -1.651) 7.005 7.807 ( 1.909 0.000 5.694) 6.006 7.815 ( -8.413 0.000 -9.209) 12.473 7.990 ( -2.287 0.000 -0.205) 2.296 8.097 ( -11.274 0.000 12.631) 16.930 8.378 ( 1.299 0.000 0.916) 1.589 8.439 ( 5.091 0.000 -2.744) 5.783 8.462 ( -7.602 0.000 16.830) 18.467 8.771 ( 7.353 0.000 -4.212) 8.474 9.078 ( -14.000 0.000 9.045) 16.668 9.219 ( 12.722 0.000 9.191) 15.695 9.382 ( -8.395 0.000 8.237) 11.761 9.528 ( -0.214 0.000 -6.486) 6.490 10.021 ( 2.129 0.000 -3.159) 3.809 12.092 ( -4.923 0.000 -2.832) 5.680 12.830 ( -3.364 0.000 -6.171) 7.028 12.918 ( -6.332 0.000 6.155) 8.830 13.276 ( 3.139 0.000 14.910) 15.236 13.511 ( 2.791 0.000 4.238) 5.075 13.955 ( 4.284 0.000 -3.839) 5.752 14.626 ( -1.623 0.000 -3.605) 3.953 14.976 ( 5.123 0.000 -1.001) 5.220 16.207 ( -4.758 0.000 -1.892) 5.120 16.769 ( -3.821 0.000 -12.962) 13.513 16.875 ( -1.635 0.000 -4.274) 4.576 17.265 ( 3.872 0.000 -11.056) 11.714 17.793 ( -9.262 0.000 -5.191) 10.618 17.914 ( -11.067 0.000 -11.670) 16.083 18.179 ( 5.195 0.000 -3.999) 6.556 18.187 ( 9.046 0.000 22.653) 24.392 18.500 ( 5.999 0.000 -13.454) 14.731 18.877 ( 0.906 0.000 -1.113) 1.435 19.000 ( 9.459 0.000 14.986) 17.721 19.202 ( 2.825 0.000 -0.486) 2.867 19.568 ( -4.808 0.000 3.046) 5.692 19.684 ( -9.092 0.000 -0.865) 9.133 20.751 ( -10.045 0.000 -6.775) 12.117 20.859 ( -4.047 0.000 0.324) 4.060 21.502 ( 7.542 0.000 1.350) 7.662 21.512 ( -10.888 0.000 -11.734) 16.008 21.752 ( -14.968 0.000 -3.897) 15.467 21.764 ( -5.316 0.000 -3.135) 6.171 22.074 ( -3.713 0.000 4.542) 5.866 22.555 ( 4.549 0.000 -5.052) 6.798 22.687 ( -3.699 0.000 -2.976) 4.747 22.916 ( -2.542 0.000 3.030) 3.955 22.926 ( 7.602 0.000 -10.544) 12.999 23.080 ( 1.531 0.000 2.423) 2.867 23.120 ( -0.741 0.000 -1.052) 1.287 23.482 ( 1.588 0.000 -4.346) 4.627 24.164 ( 3.737 0.000 -4.768) 6.058 24.306 ( -40.968 0.000 -73.637) 84.266 24.607 ( -2.036 0.000 0.713) 2.157 24.795 ( 0.517 0.000 -1.988) 2.054 25.775 ( 6.147 0.000 5.660) 8.357 25.918 ( 0.522 0.000 1.945) 2.014 26.197 ( 30.227 0.000 58.696) 66.022 26.278 ( -0.188 0.000 0.094) 0.210 26.514 ( 1.908 0.000 3.817) 4.268 26.550 ( -0.030 0.000 0.165) 0.168 26.755 ( 27.500 0.000 48.613) 55.853 27.086 ( -3.662 0.000 2.227) 4.286 27.172 ( 8.834 0.000 0.676) 8.860 27.810 ( 1.679 0.000 2.795) 3.261 27.991 ( -2.276 0.000 -5.993) 6.411 28.169 ( -3.308 0.000 2.461) 4.123 28.196 ( 3.570 0.000 1.471) 3.861 28.441 ( 0.980 0.000 0.869) 1.310 28.642 ( 5.984 0.000 0.280) 5.990 29.036 ( -3.539 0.000 1.484) 3.837 29.372 ( 1.189 0.000 -3.450) 3.649 29.414 ( 0.403 0.000 -1.978) 2.019 29.618 ( -3.746 0.000 -4.402) 5.780 29.743 ( -1.314 0.000 -0.805) 1.541 29.823 ( 6.955 0.000 -1.170) 7.053 29.849 ( -0.126 0.000 3.225) 3.228 30.194 ( -2.449 0.000 -7.453) 7.846 30.316 ( -4.742 0.000 -11.624) 12.554 30.367 ( -3.509 0.000 2.453) 4.281 30.532 ( -3.711 0.000 -0.366) 3.729 30.808 ( 3.342 0.000 4.395) 5.521 30.849 ( 0.250 0.000 -4.464) 4.471 31.001 ( -1.354 0.000 1.439) 1.976 31.067 ( -9.053 0.000 -10.953) 14.210 31.434 ( -3.242 0.000 7.627) 8.288 31.851 ( -2.643 0.000 -2.754) 3.817 32.068 ( 4.431 0.000 -2.292) 4.988 32.248 ( 0.093 0.000 2.566) 2.568 32.849 ( 0.757 0.000 -6.781) 6.823 32.932 ( -12.911 0.000 -21.228) 24.846 33.725 ( -0.339 0.000 0.657) 0.740 34.159 ( 2.527 0.000 0.136) 2.531 34.681 ( 0.446 0.000 3.384) 3.413 34.870 ( 19.084 0.000 31.083) 36.474 37.567 ( 1.067 0.000 -2.267) 2.505 37.580 ( -0.956 0.000 1.914) 2.139 38.970 ( 0.101 0.000 -0.201) 0.225 39.015 ( 0.867 0.000 3.994) 4.087 40.548 ( -1.237 0.000 -0.134) 1.245 40.588 ( -2.092 0.000 1.246) 2.435 40.804 ( 0.083 0.000 -1.195) 1.198 40.862 ( -0.092 0.000 -0.565) 0.572 42.182 ( 3.533 0.000 -2.147) 4.134 42.272 ( 0.952 0.000 0.164) 0.966 42.330 ( 3.952 0.000 10.444) 11.167 42.339 ( 1.749 0.000 1.244) 2.146 43.742 ( -5.930 0.000 -0.448) 5.947 44.195 ( -17.793 0.000 -28.873) 33.915 44.422 ( -0.499 0.000 1.320) 1.411 44.501 ( 1.260 0.000 -0.073) 1.262 44.674 ( 3.148 0.000 -1.302) 3.407 44.729 ( -0.461 0.000 0.096) 0.471 44.776 ( -0.609 0.000 2.342) 2.420 44.866 ( 1.108 0.000 0.195) 1.125 44.967 ( 1.331 0.000 -0.344) 1.375 45.030 ( 4.201 0.000 -1.155) 4.357 46.196 ( 14.088 0.000 38.397) 40.900 46.628 ( 1.485 0.000 0.222) 1.502 46.932 ( -3.685 0.000 4.566) 5.868 47.387 ( 4.808 0.000 -2.529) 5.433 47.623 ( 3.620 0.000 2.901) 4.639 47.664 ( 5.403 0.000 -3.423) 6.396 47.946 ( 1.558 0.000 4.417) 4.684 48.175 ( 2.211 0.000 0.155) 2.217 48.439 ( 2.214 0.000 -4.511) 5.025 48.944 ( 8.905 0.000 3.776) 9.672 49.584 ( -6.201 0.000 2.600) 6.724 49.709 ( 1.341 0.000 -3.291) 3.554 50.023 ( -15.520 0.000 -24.666) 29.142 50.027 ( -8.552 0.000 4.564) 9.693 52.262 ( -1.541 0.000 -0.902) 1.786 52.487 ( -8.276 0.000 -16.179) 18.172 52.642 ( -3.139 0.000 -0.689) 3.214 52.761 ( -0.460 0.000 -0.795) 0.918 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 16.009 13.323 45.977) 50.475 1.390 ( -4.551 40.854 23.369) 47.285 1.938 ( -16.719 31.558 56.373) 66.733 2.775 ( 0.598 24.925 -18.403) 30.989 3.060 ( 7.266 -3.771 9.425) 12.484 3.152 ( 0.660 19.118 1.567) 19.194 3.343 ( -1.921 18.764 0.086) 18.862 3.590 ( -9.101 -7.035 19.934) 23.015 3.900 ( 1.480 4.972 12.815) 13.825 3.955 ( -5.726 2.187 -19.462) 20.404 4.033 ( -10.362 3.533 8.234) 13.699 4.167 ( -6.088 2.337 11.062) 12.841 4.256 ( -11.630 1.650 -20.262) 23.421 4.470 ( 1.344 0.047 -2.836) 3.139 4.611 ( -4.921 3.459 5.575) 8.202 4.790 ( 5.510 4.092 -4.314) 8.106 4.995 ( -2.858 1.254 -1.271) 3.370 5.101 ( 7.986 -0.206 -6.172) 10.095 5.159 ( -3.937 0.083 2.991) 4.945 5.265 ( 3.728 2.466 -3.625) 5.755 5.350 ( 11.998 0.089 -1.180) 12.056 5.402 ( 7.875 -1.879 -6.730) 10.528 5.505 ( 2.665 1.040 -1.293) 3.140 5.884 ( -5.108 -3.084 -0.212) 5.971 5.937 ( 8.121 -5.193 -17.836) 20.274 6.022 ( 4.061 -0.135 -20.481) 20.881 6.186 ( 3.421 -10.314 -10.263) 14.947 6.428 ( 7.318 1.925 -17.899) 19.432 6.918 ( 5.753 0.275 -3.370) 6.673 7.068 ( 12.335 -1.112 0.436) 12.392 7.154 ( 1.006 -3.520 1.157) 3.839 7.193 ( -3.289 -2.455 -2.124) 4.621 7.412 ( -5.258 -6.976 -2.013) 8.964 7.447 ( -6.087 -2.197 -3.735) 7.472 7.495 ( 2.153 -2.351 5.466) 6.327 7.748 ( 2.597 -5.682 0.227) 6.252 7.846 ( 0.588 -5.753 5.662) 8.093 8.020 ( -1.618 -1.545 6.068) 6.467 8.068 ( -7.995 0.994 10.573) 13.293 8.341 ( -1.444 1.288 -5.215) 5.563 8.459 ( -0.303 -0.234 -2.302) 2.334 8.529 ( -4.205 -3.010 12.539) 13.564 8.834 ( 0.068 0.566 0.666) 0.876 8.917 ( -2.862 -8.208 9.176) 12.639 9.241 ( -6.873 5.496 4.841) 10.044 9.448 ( -4.920 4.194 9.006) 11.086 9.548 ( 5.051 4.069 -3.453) 7.348 10.025 ( 3.301 0.499 -3.142) 4.584 12.192 ( 5.022 8.343 3.021) 10.196 12.675 ( -5.176 3.911 -10.239) 12.121 13.062 ( 1.564 5.532 12.349) 13.621 13.562 ( -2.331 -2.534 7.556) 8.304 13.611 ( 0.845 6.354 20.429) 21.411 13.904 ( -0.325 -3.411 -3.813) 5.127 14.434 ( 0.137 -7.110 -8.832) 11.339 15.145 ( 2.398 1.382 -8.112) 8.571 16.232 ( -5.785 6.034 -11.584) 14.285 16.631 ( 5.015 -3.213 -11.653) 13.087 16.778 ( 6.358 4.934 1.080) 8.120 17.215 ( 0.286 6.200 -12.914) 14.328 17.585 ( 2.783 -4.219 -4.247) 6.602 17.705 ( -9.578 -1.192 -5.125) 10.928 18.230 ( 7.232 -2.701 3.164) 8.343 18.419 ( 2.942 -4.420 0.674) 5.352 18.493 ( -3.487 -1.932 9.798) 10.578 18.778 ( -8.625 -4.261 -6.680) 11.712 19.270 ( 6.319 -3.695 14.342) 16.102 19.290 ( 3.757 -0.090 10.938) 11.566 19.724 ( 2.933 14.031 -10.654) 17.860 19.756 ( -1.255 12.850 -3.308) 13.328 20.728 ( 4.625 -0.060 -3.144) 5.593 20.778 ( 2.353 0.292 -2.014) 3.111 21.089 ( -7.859 1.196 0.780) 7.988 21.273 ( -4.835 -16.661 -3.208) 17.642 21.624 ( -2.128 0.090 0.618) 2.218 21.773 ( 4.071 7.156 -5.611) 9.963 22.163 ( -5.757 -0.319 7.522) 9.477 22.445 ( 2.338 -11.086 2.279) 11.557 22.611 ( -5.648 15.069 4.251) 16.645 22.687 ( 0.973 -11.497 2.977) 11.916 22.878 ( -0.689 -9.403 -0.589) 9.446 23.018 ( -2.276 2.990 0.994) 3.887 23.362 ( 4.003 20.170 -8.302) 22.176 23.406 ( -5.277 23.837 -10.476) 26.566 23.803 ( -4.861 12.537 7.107) 15.209 24.411 ( -2.571 12.478 -10.669) 16.617 24.579 ( -1.775 2.618 -4.650) 5.624 24.752 ( -0.831 -0.109 -4.765) 4.838 25.808 ( 1.137 -1.309 2.177) 2.783 25.958 ( -3.092 3.202 0.319) 4.463 26.164 ( 1.776 -8.759 9.171) 12.806 26.399 ( 0.858 -3.699 -3.279) 5.017 26.532 ( 1.672 -0.068 -1.110) 2.008 26.607 ( -0.635 6.207 -1.286) 6.371 27.033 ( 1.964 -4.483 5.731) 7.537 27.325 ( 0.130 3.954 0.885) 4.053 27.785 ( -10.883 -1.420 3.388) 11.486 27.834 ( -1.027 2.501 0.264) 2.717 28.069 ( 25.098 -15.537 9.475) 31.002 28.127 ( -1.281 -8.324 0.856) 8.465 28.313 ( 0.370 2.055 11.725) 11.910 28.545 ( 9.631 -2.799 4.282) 10.905 28.663 ( -4.814 -2.908 3.655) 6.707 28.990 ( -0.072 0.177 -2.261) 2.269 29.182 ( -13.275 -9.843 3.900) 16.980 29.287 ( -0.182 -2.502 -5.609) 6.145 29.371 ( 0.114 -0.420 -6.468) 6.482 29.585 ( -5.278 -7.054 3.848) 9.614 29.843 ( 1.657 0.198 2.880) 3.328 29.908 ( -6.270 3.586 -5.647) 9.169 29.972 ( 3.118 -4.695 10.356) 11.790 30.254 ( 6.977 3.020 -2.945) 8.153 30.333 ( -5.593 3.738 -2.333) 7.120 30.443 ( -1.987 0.039 -4.962) 5.346 30.681 ( 6.830 -7.006 6.954) 12.003 30.813 ( -0.978 -3.645 1.461) 4.047 30.912 ( -2.303 3.162 -1.211) 4.095 31.006 ( 2.054 -1.747 1.517) 3.094 31.491 ( -2.018 -6.150 7.651) 10.022 31.564 ( -7.421 -8.327 8.298) 13.902 31.900 ( 0.580 -5.484 2.830) 6.199 32.131 ( 2.054 1.914 -0.529) 2.857 32.231 ( -3.359 -5.515 5.894) 8.743 32.760 ( 3.858 -4.502 -6.477) 8.781 33.803 ( 2.296 1.543 5.330) 6.005 34.158 ( -1.678 0.962 -2.807) 3.409 34.645 ( 0.137 -8.654 4.955) 9.973 34.744 ( -0.865 -14.735 7.205) 16.425 37.846 ( 2.228 23.953 0.756) 24.069 38.374 ( -4.491 37.391 -25.063) 45.237 39.129 ( 0.732 12.462 1.605) 12.586 39.199 ( -0.157 11.440 1.385) 11.525 40.526 ( 0.079 -1.845 0.695) 1.973 40.633 ( 3.476 -4.910 1.862) 6.297 40.827 ( -1.815 1.237 0.491) 2.250 40.972 ( 3.710 3.424 -5.691) 7.607 42.119 ( -2.792 -10.701 2.802) 11.408 42.210 ( -0.035 -3.966 -1.104) 4.117 42.292 ( -0.297 -5.109 3.931) 6.453 42.359 ( -0.523 -3.268 2.350) 4.059 43.661 ( 0.138 -0.841 -0.212) 0.878 43.702 ( 0.660 1.145 -0.834) 1.563 44.471 ( 0.882 -5.694 0.360) 5.773 44.504 ( -0.552 -10.821 0.042) 10.836 44.810 ( 2.306 9.344 -1.567) 9.751 44.836 ( -0.505 9.137 -1.092) 9.216 44.954 ( -2.310 9.665 -2.253) 10.190 45.053 ( -0.406 11.484 1.486) 11.587 45.227 ( -5.017 30.408 -21.551) 37.607 45.290 ( 2.770 17.861 -6.815) 19.317 46.638 ( -0.242 -0.615 0.930) 1.141 46.811 ( 6.233 -1.182 -3.863) 7.428 47.074 ( 4.116 -6.690 6.322) 10.083 47.352 ( 1.649 -5.919 -1.935) 6.441 47.645 ( -4.250 -0.374 -0.274) 4.275 47.695 ( 4.286 -2.096 -1.134) 4.904 47.955 ( -6.112 -10.531 6.307) 13.713 48.159 ( -1.857 -1.965 -1.819) 3.258 48.232 ( -15.183 -1.606 2.675) 15.501 48.412 ( 5.585 -4.291 -1.610) 7.225 49.538 ( -2.345 -0.273 2.201) 3.228 49.718 ( 5.391 -0.967 -2.118) 5.872 49.926 ( -4.981 -3.308 3.440) 6.898 50.014 ( 15.165 -8.498 4.828) 18.042 52.131 ( -2.932 3.209 1.761) 4.690 52.273 ( 0.471 3.108 -1.430) 3.453 52.613 ( -0.373 -1.789 1.273) 2.227 52.735 ( 0.305 -1.506 -1.556) 2.187 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 7.174 44.433 17.546) 48.308 1.906 ( -8.694 13.408 47.396) 50.017 2.501 ( 5.241 30.248 -17.078) 35.129 2.818 ( 19.562 11.233 44.702) 50.071 3.165 ( -3.957 15.492 -0.375) 15.994 3.201 ( -0.131 12.142 5.899) 13.500 3.428 ( -7.830 2.118 -24.108) 25.436 3.436 ( 0.596 7.609 7.407) 10.636 3.716 ( -2.614 0.188 14.641) 14.874 3.775 ( -11.404 -0.296 -18.516) 21.748 4.058 ( -4.838 -2.585 13.899) 14.942 4.130 ( -4.720 -2.258 9.776) 11.088 4.201 ( -4.952 4.833 14.771) 16.311 4.503 ( 2.583 -0.989 4.191) 5.021 4.571 ( -5.642 3.696 0.247) 6.749 4.806 ( 0.599 6.484 0.776) 6.558 4.846 ( -11.533 1.756 -3.164) 12.087 5.053 ( -2.688 -0.174 -3.943) 4.775 5.187 ( 2.444 0.704 0.114) 2.546 5.238 ( 0.853 2.154 -4.080) 4.692 5.437 ( 5.068 -3.631 -1.679) 6.456 5.525 ( 7.013 1.315 -6.346) 9.549 5.542 ( 8.788 1.933 -8.538) 12.404 5.628 ( 15.813 0.964 -33.882) 37.403 5.896 ( 3.763 -7.448 -9.819) 12.886 5.948 ( -2.398 -0.421 1.960) 3.126 6.015 ( 4.477 -2.475 -24.214) 24.748 6.360 ( 3.028 -6.040 -5.509) 8.718 6.991 ( 2.823 -0.323 0.004) 2.841 7.050 ( -2.932 -1.933 -4.696) 5.864 7.171 ( -4.816 -3.506 -0.274) 5.963 7.266 ( -3.945 -2.627 -5.126) 6.982 7.302 ( -1.920 -5.183 1.471) 5.719 7.346 ( 7.985 -2.966 2.174) 8.792 7.635 ( 5.545 -3.321 6.366) 9.073 7.735 ( -1.041 -7.957 -4.881) 9.393 7.894 ( -9.261 -4.747 11.703) 15.660 7.993 ( -4.852 -2.587 4.208) 6.924 8.146 ( 1.592 -0.757 -1.760) 2.491 8.243 ( -3.074 2.138 0.284) 3.755 8.346 ( -7.687 0.328 -4.569) 8.948 8.619 ( -2.600 -3.320 9.306) 10.216 8.841 ( -0.592 -0.122 2.324) 2.401 8.996 ( 1.086 -2.931 5.533) 6.355 9.217 ( -2.806 7.107 3.696) 8.488 9.496 ( -1.988 3.791 7.216) 8.390 9.619 ( 7.290 4.641 -1.317) 8.742 10.047 ( 4.964 0.595 -3.520) 6.115 12.380 ( 11.491 8.004 5.316) 14.979 12.481 ( -3.512 4.978 -9.922) 11.643 13.295 ( 3.719 5.150 14.808) 16.113 13.607 ( -1.943 -4.358 8.645) 9.874 13.778 ( -5.529 3.487 0.484) 6.555 13.857 ( -0.548 -1.516 6.786) 6.975 14.417 ( 5.862 -3.965 2.050) 7.368 15.057 ( 0.613 -2.094 -11.211) 11.422 16.007 ( -8.012 -1.723 -5.591) 9.920 16.517 ( 2.700 -2.683 -16.861) 17.285 16.848 ( 0.273 9.228 -0.488) 9.245 16.993 ( -5.839 10.221 -12.925) 17.482 17.435 ( -6.631 1.950 -4.443) 8.216 17.780 ( 15.644 -6.877 -0.657) 17.101 18.390 ( 0.667 -5.863 7.965) 9.913 18.448 ( -4.948 -11.738 -4.160) 13.400 18.513 ( -1.337 1.643 7.314) 7.615 18.647 ( 3.145 -0.645 0.052) 3.211 19.326 ( -12.089 2.094 5.668) 13.515 19.367 ( -11.126 2.456 3.285) 11.858 19.746 ( 12.029 11.392 1.140) 16.606 19.860 ( 10.870 0.179 5.192) 12.048 20.626 ( -1.572 -2.473 -9.943) 10.366 20.933 ( 9.113 -7.674 -5.455) 13.103 21.103 ( 8.425 -4.862 1.064) 9.785 21.261 ( 7.680 -3.631 0.142) 8.496 21.647 ( 5.219 2.054 -1.175) 5.730 21.793 ( 4.926 4.692 -2.478) 7.240 22.090 ( -10.908 -5.541 2.021) 12.401 22.552 ( 2.089 -12.073 2.924) 12.597 22.582 ( -4.802 20.816 6.997) 22.480 22.709 ( -1.671 -6.370 0.125) 6.587 22.883 ( 1.989 -6.461 0.644) 6.790 23.018 ( 0.861 4.119 1.097) 4.349 23.166 ( -1.785 16.945 -6.943) 18.399 23.466 ( 10.703 20.704 -5.196) 23.879 23.818 ( -5.420 15.328 8.224) 18.219 24.311 ( 0.458 10.611 -5.451) 11.938 24.541 ( -0.496 -1.541 -0.426) 1.674 24.688 ( 0.298 -0.521 -4.254) 4.296 25.872 ( 1.669 -0.651 2.896) 3.406 25.904 ( -2.155 1.985 -0.331) 2.948 26.234 ( -0.456 -2.753 2.054) 3.465 26.388 ( 1.522 -6.118 -1.636) 6.513 26.545 ( -0.738 3.313 -1.130) 3.577 26.570 ( -0.205 2.576 -0.785) 2.701 27.164 ( 3.548 -3.688 7.126) 8.773 27.277 ( -4.278 0.279 -1.813) 4.655 27.664 ( -12.487 1.752 7.226) 14.533 27.806 ( -6.803 5.638 4.327) 9.838 28.058 ( -2.675 -4.625 -2.072) 5.730 28.153 ( -7.854 -10.394 3.202) 13.415 28.503 ( 1.660 -0.133 11.092) 11.217 28.585 ( -5.315 0.474 1.298) 5.492 28.740 ( -0.591 -2.178 7.845) 8.163 28.958 ( 0.716 1.941 -3.233) 3.838 29.105 ( 2.080 -4.794 -7.926) 9.494 29.255 ( 0.504 -2.355 -2.019) 3.143 29.331 ( 4.890 -3.543 -5.145) 7.933 29.559 ( -4.085 2.622 -9.650) 10.802 29.658 ( -8.478 -4.243 1.848) 9.659 29.968 ( 6.251 -0.172 2.058) 6.583 30.052 ( -4.788 0.244 -1.122) 4.924 30.283 ( 1.989 -1.946 -5.484) 6.149 30.407 ( 10.451 1.801 1.238) 10.676 30.443 ( 11.253 2.065 -0.519) 11.452 30.649 ( -6.696 -0.637 -1.651) 6.926 30.866 ( -1.227 3.605 1.556) 4.114 30.992 ( 10.759 -6.142 0.843) 12.418 31.072 ( 7.551 -4.142 -1.150) 8.689 31.545 ( -1.913 -4.484 5.251) 7.166 31.600 ( -0.303 -14.428 5.828) 15.563 31.974 ( 3.677 -2.241 1.546) 4.575 32.160 ( 2.075 1.161 1.428) 2.773 32.233 ( -5.661 -5.253 5.515) 9.489 32.744 ( 4.775 -4.555 -7.136) 9.720 33.919 ( 1.822 0.682 6.828) 7.100 34.061 ( -4.197 1.432 -4.842) 6.566 34.705 ( -1.165 -11.110 5.215) 12.328 34.788 ( -1.303 -14.165 3.445) 14.636 37.913 ( 3.291 25.230 2.777) 25.595 38.032 ( -7.726 36.979 -12.276) 39.722 39.156 ( -0.787 11.738 1.172) 11.822 39.199 ( 0.395 12.792 0.779) 12.822 40.551 ( 1.330 -2.252 1.212) 2.883 40.663 ( 1.618 -4.172 -2.657) 5.204 40.788 ( -2.691 1.679 -0.896) 3.296 40.942 ( -0.264 1.885 -2.778) 3.368 42.054 ( -7.712 -7.564 1.175) 10.866 42.208 ( 0.115 -4.625 -0.261) 4.634 42.331 ( -1.031 -2.690 2.631) 3.902 42.403 ( 1.872 -6.213 4.279) 7.773 43.723 ( 6.831 -1.725 -0.669) 7.077 43.755 ( 8.129 -1.307 -1.377) 8.348 44.469 ( -2.919 -9.165 -0.505) 9.632 44.484 ( -1.122 -7.381 0.602) 7.490 44.778 ( -2.754 16.660 -4.688) 17.525 44.834 ( 2.366 9.979 -1.091) 10.313 44.877 ( -2.810 10.212 0.134) 10.592 44.972 ( -2.063 13.122 -3.752) 13.803 45.115 ( -0.503 16.739 1.421) 16.807 45.264 ( 1.082 16.189 -3.695) 16.641 46.631 ( -2.140 -1.582 0.642) 2.738 46.757 ( -7.807 -1.636 -1.801) 8.178 47.011 ( -12.176 -2.153 7.219) 14.318 47.327 ( -1.386 -5.883 -2.385) 6.498 47.550 ( -7.286 -1.589 -0.232) 7.460 47.749 ( 3.468 -3.064 0.570) 4.663 47.902 ( -3.899 -5.042 7.156) 9.583 48.086 ( -3.501 -1.937 -3.350) 5.218 48.239 ( 2.130 -4.472 -2.860) 5.720 48.506 ( 6.257 -4.546 1.381) 7.856 49.553 ( 1.317 -0.005 1.452) 1.961 49.803 ( 8.150 -1.370 -1.753) 8.448 49.879 ( -2.845 -1.576 0.847) 3.361 50.247 ( 10.324 -11.101 -2.093) 15.304 52.187 ( 5.792 2.820 0.330) 6.450 52.282 ( 3.061 2.806 -1.297) 4.350 52.634 ( 0.617 -1.713 1.570) 2.404 52.725 ( 1.046 -1.573 -1.708) 2.547 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 8.473 38.047 14.635) 41.636 2.174 ( -0.069 30.501 -0.196) 30.501 2.499 ( -2.024 14.412 26.828) 30.522 2.845 ( 4.414 2.780 -30.175) 30.623 2.984 ( -12.904 17.150 -5.848) 22.245 3.113 ( -8.791 20.970 6.444) 23.633 3.434 ( -2.923 -0.445 -13.669) 13.985 3.509 ( -14.212 0.676 9.762) 17.255 3.760 ( -1.073 7.330 12.800) 14.789 3.981 ( 3.523 -3.431 14.745) 15.544 4.151 ( 4.684 -3.989 16.510) 17.619 4.189 ( 1.067 -1.323 14.564) 14.663 4.357 ( 2.157 4.006 12.506) 13.308 4.440 ( -8.545 5.545 3.439) 10.752 4.583 ( -6.303 1.934 4.573) 8.024 4.648 ( -5.822 2.527 -3.998) 7.501 4.891 ( 2.657 -2.666 8.864) 9.630 5.036 ( 9.715 2.047 -0.419) 9.937 5.144 ( -4.771 1.278 -3.089) 5.826 5.256 ( 3.638 0.637 0.758) 3.771 5.358 ( 19.633 3.667 -35.950) 41.125 5.476 ( 3.406 -2.272 -5.217) 6.632 5.548 ( 3.381 1.230 -2.771) 4.541 5.652 ( 10.998 2.376 -19.420) 22.444 5.764 ( 9.825 -4.672 -16.172) 19.491 5.898 ( 1.227 -1.542 -4.257) 4.691 5.972 ( 3.462 -1.998 -0.782) 4.073 6.346 ( 2.333 -9.130 -4.384) 10.393 6.788 ( -12.657 -1.810 -8.802) 15.523 6.941 ( -8.056 -2.460 -10.491) 13.454 7.138 ( -1.368 -1.413 8.940) 9.153 7.240 ( -1.348 -5.047 -1.301) 5.384 7.292 ( 1.362 -2.886 4.494) 5.512 7.481 ( 0.677 -2.783 4.290) 5.158 7.622 ( -4.921 -5.466 -3.620) 8.198 7.785 ( 1.950 -6.505 4.548) 8.173 7.875 ( -13.065 -1.557 14.901) 19.879 7.992 ( -1.229 -2.667 -1.761) 3.424 8.019 ( -3.590 -0.978 -4.604) 5.920 8.133 ( -7.500 0.112 -2.848) 8.023 8.346 ( 3.378 1.529 4.765) 6.038 8.660 ( -3.502 -2.528 4.713) 6.392 8.879 ( 2.966 -0.957 0.282) 3.129 9.073 ( 1.571 -1.804 2.924) 3.777 9.246 ( 2.014 9.179 2.083) 9.625 9.554 ( -2.085 3.018 6.596) 7.547 9.718 ( 7.001 4.666 -1.008) 8.474 10.082 ( 5.863 0.636 -4.612) 7.486 12.336 ( -0.981 5.307 -7.218) 9.013 12.634 ( 13.113 6.919 3.991) 15.354 13.383 ( -7.872 -0.238 5.912) 9.847 13.621 ( -0.427 2.454 -7.469) 7.874 13.857 ( -2.569 0.692 1.018) 2.849 13.920 ( 9.561 -0.610 19.290) 21.538 14.625 ( 4.435 -0.056 11.811) 12.617 14.841 ( -0.293 -0.978 -23.515) 23.537 15.874 ( -7.133 -9.924 3.790) 12.795 16.329 ( -4.764 0.212 -8.560) 9.798 16.749 ( -6.976 9.165 -8.459) 14.290 16.814 ( -3.212 7.606 -0.066) 8.257 17.416 ( 4.007 0.822 3.367) 5.298 18.006 ( 13.002 -3.672 -1.671) 13.613 18.259 ( -4.746 -8.811 -7.170) 12.311 18.426 ( -1.849 -6.194 3.356) 7.283 18.656 ( 1.610 4.583 9.558) 10.721 18.758 ( 5.384 -3.367 1.596) 6.547 19.133 ( -12.484 9.299 -5.227) 16.420 19.155 ( -14.150 -0.327 -0.115) 14.154 19.977 ( 12.024 7.734 2.657) 14.541 20.126 ( 9.907 -9.726 8.188) 16.118 20.480 ( -0.415 -2.180 -8.516) 8.801 20.920 ( 3.039 -8.813 -5.009) 10.583 21.217 ( 3.174 -6.117 -2.699) 7.401 21.527 ( 18.568 -0.621 4.827) 19.195 21.664 ( -7.077 -1.441 3.917) 8.216 21.863 ( 5.803 1.164 0.921) 5.990 21.992 ( 5.850 -4.242 -6.433) 9.675 22.503 ( -6.475 -4.816 -0.028) 8.070 22.620 ( -2.669 5.214 2.461) 6.353 22.676 ( -1.844 4.871 1.877) 5.536 22.954 ( 2.597 5.222 3.838) 6.981 23.029 ( 1.504 -0.976 -2.659) 3.208 23.160 ( 2.885 7.441 0.454) 7.994 23.560 ( 9.657 17.568 -5.898) 20.897 23.861 ( -4.302 20.537 11.734) 24.041 24.244 ( -0.535 10.395 -5.491) 11.768 24.543 ( -0.447 -2.629 1.761) 3.196 24.675 ( 2.372 -0.631 -1.288) 2.772 25.831 ( -2.833 2.252 -1.286) 3.841 25.983 ( 4.066 -0.874 3.518) 5.447 26.230 ( -1.292 -0.281 0.477) 1.405 26.396 ( 1.394 -7.547 -0.798) 7.716 26.466 ( -3.914 4.981 -3.208) 7.101 26.591 ( 0.931 0.791 0.790) 1.455 27.176 ( -4.242 -3.290 -2.338) 5.855 27.285 ( 2.763 -1.959 2.442) 4.175 27.549 ( -10.823 1.238 1.452) 10.990 27.725 ( -10.347 0.115 4.570) 11.312 28.009 ( -2.378 -5.201 -1.937) 6.038 28.086 ( -3.104 -3.972 2.130) 5.473 28.490 ( -4.077 1.184 -1.243) 4.424 28.572 ( -2.615 -0.069 -1.624) 3.079 28.792 ( -1.196 3.033 3.005) 4.433 28.950 ( -4.434 5.496 6.761) 9.776 29.120 ( 7.107 -4.032 -1.601) 8.327 29.215 ( -1.291 0.426 -3.505) 3.760 29.284 ( -6.355 1.446 -3.450) 7.374 29.434 ( 3.901 1.667 3.170) 5.295 29.615 ( -4.007 -6.040 0.271) 7.253 29.896 ( -6.773 2.550 -3.619) 8.092 30.105 ( 6.543 -2.994 0.481) 7.212 30.221 ( 1.794 -0.862 -7.458) 7.719 30.478 ( -4.685 0.110 1.193) 4.835 30.600 ( 6.963 0.711 -1.713) 7.206 30.663 ( 12.541 2.470 -0.273) 12.785 30.925 ( 2.779 3.707 5.569) 7.244 31.076 ( 1.798 -5.286 0.606) 5.616 31.222 ( 14.198 -5.617 -5.774) 16.325 31.590 ( -1.871 -6.970 6.444) 9.675 31.642 ( 0.233 -9.080 1.864) 9.273 32.011 ( 2.171 0.511 -2.550) 3.388 32.195 ( -8.271 -5.621 5.822) 11.571 32.255 ( 5.418 -4.792 3.265) 7.936 32.726 ( 4.541 -4.908 -7.049) 9.716 33.927 ( -3.745 1.532 -4.383) 5.966 34.009 ( -0.945 1.122 4.501) 4.734 34.717 ( -2.521 -14.088 1.413) 14.381 34.814 ( -0.053 -10.781 2.201) 11.004 37.836 ( -4.629 32.486 -4.818) 33.165 38.001 ( 2.552 26.851 3.464) 27.194 39.135 ( -1.646 12.447 -0.330) 12.560 39.231 ( 1.264 11.923 0.892) 12.023 40.583 ( 0.930 -3.159 0.469) 3.326 40.643 ( 1.323 -2.447 -3.360) 4.362 40.742 ( -1.370 3.183 -0.123) 3.467 40.904 ( -2.058 1.857 -0.506) 2.818 41.947 ( -6.790 -4.949 0.271) 8.406 42.203 ( -0.358 -4.179 0.092) 4.196 42.327 ( -1.907 -1.322 0.973) 2.516 42.488 ( 2.009 -7.399 2.917) 8.203 43.841 ( 9.008 -2.951 0.151) 9.480 43.889 ( 11.237 -4.999 -1.940) 12.450 44.395 ( -4.965 -7.464 -0.908) 9.010 44.458 ( -3.207 -8.787 0.291) 9.358 44.697 ( -2.100 11.321 -1.592) 11.624 44.850 ( 0.524 12.007 -0.214) 12.021 44.868 ( -0.334 11.609 0.412) 11.621 44.936 ( -0.844 11.256 1.136) 11.344 45.119 ( -1.436 15.789 1.182) 15.899 45.239 ( 1.169 16.620 -2.947) 16.920 46.540 ( -12.865 -3.102 1.280) 13.295 46.627 ( -3.835 -1.383 0.228) 4.083 46.990 ( -1.258 0.082 4.360) 4.538 47.263 ( -2.070 -4.970 -2.941) 6.135 47.423 ( -8.963 -1.371 0.008) 9.068 47.817 ( 3.928 -3.900 1.134) 5.650 47.943 ( -3.594 -5.130 0.812) 6.316 47.995 ( -0.191 -2.139 0.009) 2.148 48.186 ( -2.986 -6.011 -3.198) 7.435 48.604 ( 1.706 -5.504 3.280) 6.631 49.605 ( 3.206 0.137 0.955) 3.348 49.873 ( 3.584 -1.154 -2.276) 4.399 49.903 ( 5.645 -1.473 -0.063) 5.834 50.315 ( 4.235 -8.092 -3.158) 9.664 52.274 ( 5.355 2.269 -0.502) 5.837 52.336 ( 4.655 1.962 0.224) 5.056 52.665 ( 0.805 -1.578 1.570) 2.367 52.724 ( 1.411 -1.556 -1.629) 2.658 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 8.771 34.320 -9.236) 36.607 2.342 ( 5.920 32.739 11.717) 35.273 2.648 ( -4.668 14.957 -8.395) 17.776 2.747 ( 7.308 3.056 -2.571) 8.328 2.885 ( -6.243 12.237 22.987) 26.780 3.069 ( -7.849 22.024 6.395) 24.240 3.320 ( -14.417 3.549 7.469) 16.620 3.365 ( 5.656 -0.404 -2.125) 6.056 3.796 ( -7.763 3.662 8.395) 12.006 4.002 ( -14.576 -1.119 2.034) 14.760 4.042 ( -10.516 -1.128 10.367) 14.810 4.193 ( -1.867 0.563 -4.318) 4.738 4.426 ( -9.811 0.715 -1.539) 9.957 4.452 ( -1.534 4.002 -6.253) 7.581 4.536 ( -3.909 2.493 8.676) 9.838 4.896 ( -2.938 1.515 -0.052) 3.306 4.983 ( 9.102 -3.433 -10.411) 14.248 5.137 ( 15.385 1.240 12.087) 19.604 5.205 ( 10.134 -3.541 -7.790) 13.263 5.294 ( 14.384 3.176 -19.478) 24.421 5.390 ( 6.741 1.522 2.464) 7.337 5.429 ( 6.381 2.656 -10.568) 12.627 5.564 ( 5.568 4.398 -0.203) 7.098 5.592 ( 5.852 -3.681 -7.726) 10.368 5.761 ( 3.695 -4.655 -5.299) 7.963 5.841 ( -2.169 -0.305 -6.071) 6.454 6.017 ( 8.133 -2.278 -7.764) 11.472 6.322 ( 2.542 -9.963 -4.711) 11.310 6.490 ( -9.846 1.040 -3.822) 10.613 6.769 ( -1.837 -2.306 -0.656) 3.020 7.160 ( -3.855 -5.050 4.116) 7.571 7.263 ( -0.999 -2.787 5.461) 6.212 7.382 ( 1.123 -1.683 6.675) 6.975 7.456 ( -4.333 -5.897 -1.707) 7.514 7.568 ( -5.478 -0.429 8.511) 10.131 7.800 ( -7.132 -6.108 7.014) 11.721 7.859 ( -5.412 -2.288 4.577) 7.449 7.913 ( 1.273 -0.230 -2.446) 2.767 7.972 ( -2.109 -1.525 0.314) 2.622 8.087 ( -5.940 -1.787 6.714) 9.141 8.428 ( 2.824 1.057 -0.558) 3.067 8.635 ( -2.939 -1.418 -0.430) 3.291 8.919 ( 4.277 -1.431 -3.493) 5.704 9.099 ( -0.828 -2.023 0.222) 2.197 9.328 ( 4.489 8.895 2.640) 10.307 9.579 ( -5.603 3.576 6.554) 9.335 9.799 ( 5.160 3.837 -1.109) 6.525 10.102 ( 5.292 0.678 -6.300) 8.255 12.289 ( 2.419 5.224 -1.747) 6.016 12.861 ( 11.667 5.513 1.997) 13.058 13.284 ( -12.253 -0.721 3.665) 12.809 13.560 ( 3.888 3.777 -5.777) 7.922 13.770 ( -2.690 3.237 -5.539) 6.957 14.282 ( -0.371 -5.090 -0.233) 5.109 14.517 ( 9.640 3.744 -12.452) 16.187 14.763 ( -3.347 2.670 2.119) 4.777 15.941 ( 0.329 -9.947 16.350) 19.141 16.186 ( -9.289 -2.969 4.691) 10.821 16.639 ( -0.327 6.624 0.799) 6.680 16.777 ( -2.711 4.366 1.515) 5.358 17.534 ( 1.359 -2.199 4.393) 5.097 18.069 ( 4.381 -2.902 -3.382) 6.249 18.227 ( 5.776 -1.216 -4.708) 7.550 18.438 ( 0.795 -5.473 -1.224) 5.664 18.734 ( -3.829 1.637 4.890) 6.423 18.757 ( -4.828 -0.469 -2.191) 5.323 18.959 ( -6.873 9.014 -3.633) 11.903 18.972 ( -1.225 -0.502 -1.332) 1.878 20.108 ( 5.633 -0.782 -7.459) 9.379 20.200 ( 3.861 -2.282 -9.231) 10.263 20.563 ( 4.041 -8.404 14.760) 17.459 20.939 ( 2.335 -4.827 0.753) 5.415 21.150 ( -0.504 -1.393 -7.841) 7.980 21.570 ( -9.627 -8.818 12.303) 17.939 21.909 ( 15.776 -2.347 4.566) 16.590 21.963 ( 3.348 -0.318 2.927) 4.459 22.051 ( 8.299 -6.343 -6.669) 12.393 22.394 ( -5.561 -5.587 -1.319) 7.993 22.597 ( -1.383 -0.325 0.778) 1.620 22.703 ( -0.417 10.660 5.105) 11.826 22.987 ( -0.344 2.450 -1.552) 2.920 23.063 ( 1.179 5.372 3.484) 6.511 23.181 ( 1.479 5.231 -1.335) 5.597 23.584 ( 4.823 15.742 -8.383) 18.476 23.957 ( -4.555 25.212 11.778) 28.198 24.194 ( 0.697 9.987 -0.687) 10.035 24.565 ( -0.975 -3.159 3.364) 4.717 24.706 ( 1.757 -0.678 0.291) 1.905 25.781 ( -1.442 2.381 -1.293) 3.070 26.062 ( 2.195 -0.754 -0.314) 2.342 26.223 ( -0.733 0.738 1.210) 1.595 26.375 ( -2.653 3.931 -1.974) 5.137 26.415 ( 1.207 -7.594 0.822) 7.733 26.606 ( 0.247 1.325 0.033) 1.348 27.077 ( -2.844 -5.525 -5.728) 8.451 27.284 ( -0.785 3.575 -9.433) 10.119 27.381 ( -3.146 0.557 -4.962) 5.902 27.630 ( -8.045 -5.817 3.044) 10.384 27.942 ( -2.349 -11.112 -1.448) 11.450 28.069 ( -1.048 0.919 -2.281) 2.673 28.418 ( -2.929 -0.174 -1.366) 3.237 28.527 ( 2.355 4.724 -3.115) 6.129 28.758 ( -0.459 9.987 -2.885) 10.405 28.990 ( -8.117 7.755 12.357) 16.695 29.129 ( -1.062 -0.300 -2.940) 3.141 29.208 ( 3.852 -2.591 0.294) 4.652 29.259 ( -1.589 -0.369 6.891) 7.082 29.545 ( -6.140 -4.612 1.564) 7.837 29.611 ( 5.527 -0.182 10.950) 12.267 29.796 ( -3.047 2.461 1.555) 4.214 30.154 ( 2.874 -0.546 -5.747) 6.449 30.200 ( 4.159 -4.174 -1.420) 6.061 30.431 ( -3.653 0.562 3.163) 4.865 30.667 ( 4.369 -0.431 -2.185) 4.904 30.819 ( 7.608 3.737 -0.506) 8.492 31.016 ( 2.798 3.475 -1.049) 4.584 31.086 ( 0.099 -6.573 -1.476) 6.737 31.325 ( 8.808 -5.142 -5.480) 11.578 31.617 ( -4.883 -4.585 7.279) 9.892 31.706 ( 3.864 -7.029 2.703) 8.464 32.003 ( 1.763 0.499 -2.901) 3.432 32.135 ( -8.293 -5.878 5.874) 11.740 32.337 ( 1.680 -9.175 -1.548) 9.455 32.738 ( 5.554 -7.080 -2.060) 9.231 33.849 ( -0.291 2.020 -2.228) 3.022 34.017 ( -3.101 1.354 1.861) 3.862 34.682 ( -1.520 -13.362 -1.494) 13.531 34.816 ( -0.762 -9.661 -1.382) 9.789 37.762 ( -1.218 30.353 -0.236) 30.379 38.056 ( -0.079 28.173 1.716) 28.226 39.110 ( -0.753 12.537 -0.493) 12.569 39.245 ( 0.480 11.625 -0.821) 11.664 40.592 ( 0.589 -2.916 0.147) 2.978 40.634 ( 1.683 -2.195 -1.476) 3.135 40.760 ( 1.410 4.041 2.195) 4.810 40.865 ( -3.163 2.077 0.601) 3.832 41.870 ( -3.697 -3.665 0.704) 5.253 42.200 ( -0.245 -3.776 -0.064) 3.784 42.304 ( -1.461 -0.742 -0.257) 1.659 42.508 ( -0.065 -7.072 -2.623) 7.543 43.988 ( 7.778 -5.264 1.602) 9.527 44.035 ( 10.303 -6.508 -1.467) 12.274 44.308 ( -5.299 -7.093 -0.064) 8.854 44.400 ( -4.043 -10.161 -0.127) 10.936 44.668 ( -0.948 7.855 0.558) 7.932 44.849 ( 0.002 13.265 -0.110) 13.266 44.862 ( -0.641 10.990 -0.134) 11.009 44.955 ( -1.000 13.472 2.954) 13.828 45.105 ( -1.146 15.904 0.205) 15.947 45.232 ( 1.845 17.395 -1.801) 17.585 46.370 ( -10.860 -2.254 1.911) 11.255 46.585 ( -0.303 -3.292 -2.646) 4.234 47.055 ( 2.986 0.212 3.579) 4.666 47.209 ( -1.221 -3.774 -1.566) 4.264 47.287 ( -8.201 -0.747 -0.089) 8.235 47.825 ( -1.833 -2.103 -8.002) 8.474 47.894 ( 3.547 -4.967 1.710) 6.338 48.040 ( -2.014 -5.666 1.520) 6.203 48.122 ( -0.711 -6.358 2.160) 6.753 48.624 ( -2.816 -5.641 1.653) 6.518 49.662 ( 2.290 0.086 0.951) 2.481 49.907 ( 3.767 -1.348 -3.044) 5.027 49.982 ( 4.029 -1.476 1.511) 4.549 50.326 ( 2.235 -6.630 -2.461) 7.416 52.338 ( 3.421 1.871 0.122) 3.901 52.408 ( 2.692 1.097 1.118) 3.115 52.691 ( 0.063 -1.539 1.428) 2.100 52.731 ( 1.549 -1.474 -0.776) 2.274 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -13.270 29.529 -3.805) 32.597 2.223 ( 8.825 30.961 -2.673) 32.305 2.624 ( -30.544 10.085 9.198) 33.455 2.788 ( 6.305 17.689 12.080) 22.329 3.057 ( 1.098 16.265 13.715) 21.304 3.155 ( 21.764 10.833 -1.319) 24.347 3.384 ( -4.542 -0.022 15.918) 16.553 3.531 ( 6.710 -0.840 9.901) 11.990 3.763 ( -8.443 4.004 6.679) 11.486 3.862 ( -5.754 1.173 6.409) 8.693 4.012 ( -3.822 1.477 0.758) 4.166 4.133 ( -3.452 3.192 -0.417) 4.720 4.258 ( -3.890 -0.812 -4.132) 5.733 4.359 ( 1.734 5.764 -9.392) 11.155 4.548 ( -9.882 2.696 1.137) 10.306 4.608 ( -13.180 2.399 -15.050) 20.149 4.879 ( -7.453 -5.062 -14.096) 16.730 5.136 ( 3.717 4.054 -13.355) 14.443 5.252 ( -8.517 -0.694 -4.983) 9.892 5.303 ( 12.483 1.641 -9.071) 15.518 5.397 ( 20.040 0.575 -15.051) 25.069 5.463 ( 6.890 2.904 -2.520) 7.890 5.591 ( 5.298 -3.702 -8.609) 10.765 5.643 ( -5.530 1.610 2.225) 6.175 5.727 ( 0.544 -4.456 -4.775) 6.554 5.851 ( 9.309 -4.640 0.414) 10.410 6.026 ( 7.788 -2.096 -10.657) 13.365 6.306 ( 3.106 -10.434 -6.412) 12.634 6.581 ( 11.797 0.678 13.309) 17.797 6.928 ( 7.966 -1.045 15.019) 17.033 7.169 ( 0.118 -4.669 1.511) 4.909 7.287 ( -1.404 -4.268 1.023) 4.608 7.387 ( -6.083 -1.327 5.976) 8.630 7.515 ( 4.232 -4.768 6.652) 9.214 7.595 ( -5.546 -0.475 6.740) 8.741 7.768 ( -8.076 -5.707 6.670) 11.928 7.824 ( -8.565 -0.879 8.356) 11.998 7.982 ( 6.451 -0.579 2.698) 7.016 8.004 ( 3.231 -1.079 4.336) 5.514 8.046 ( -7.000 -2.629 3.174) 8.123 8.398 ( -2.328 1.044 -4.893) 5.518 8.564 ( -3.124 -0.561 -3.468) 4.701 8.909 ( 3.425 -0.660 -7.917) 8.651 9.061 ( -2.782 -2.685 -1.514) 4.152 9.424 ( 1.234 6.663 4.582) 8.180 9.544 ( -8.935 5.402 6.091) 12.088 9.839 ( 1.404 2.846 -1.070) 3.349 10.087 ( 4.126 0.751 -7.637) 8.713 12.371 ( 5.092 4.764 5.536) 8.903 13.044 ( 9.316 5.458 1.571) 10.911 13.087 ( -16.442 1.306 -0.557) 16.504 13.593 ( 5.654 3.781 -3.412) 7.610 13.648 ( 1.342 2.364 -10.995) 11.327 13.905 ( -11.250 1.825 -22.579) 25.293 14.665 ( -5.117 1.072 -2.549) 5.816 14.765 ( 12.148 -1.718 1.638) 12.378 16.093 ( -9.291 -7.573 18.625) 22.148 16.360 ( 9.417 -4.455 21.492) 23.884 16.708 ( 2.465 3.806 2.995) 5.435 16.789 ( 0.886 4.002 6.009) 7.274 17.542 ( -4.070 -0.334 3.159) 5.163 18.155 ( 6.079 -5.245 1.067) 8.100 18.192 ( 1.486 -0.974 -8.309) 8.497 18.356 ( -4.687 -6.663 -8.185) 11.548 18.657 ( -8.770 3.376 0.411) 9.406 18.753 ( 6.194 -6.526 0.922) 9.045 18.879 ( 3.114 13.128 -5.233) 14.471 18.945 ( -0.655 -0.246 -3.515) 3.584 19.995 ( 1.249 -3.383 -11.884) 12.419 20.144 ( -2.750 5.703 -5.132) 8.150 20.765 ( -0.231 -10.722 11.176) 15.489 20.940 ( -2.406 -5.113 0.526) 5.675 21.201 ( 12.088 -2.139 2.712) 12.572 21.627 ( -6.650 -10.276 14.762) 19.176 21.924 ( -8.505 -0.635 -8.209) 11.838 22.027 ( -2.327 -1.666 4.623) 5.437 22.156 ( 10.916 -9.730 -1.911) 14.747 22.330 ( -1.070 -2.098 -0.996) 2.557 22.618 ( 0.957 -2.311 3.266) 4.114 22.782 ( -2.875 3.613 9.051) 10.161 22.956 ( 0.148 7.554 -3.043) 8.145 23.062 ( -1.515 -0.832 -0.701) 1.866 23.226 ( 1.191 8.447 3.214) 9.116 23.531 ( 4.217 18.103 -8.810) 20.569 23.987 ( -5.793 26.652 8.248) 28.494 24.243 ( -0.991 9.579 6.235) 11.473 24.594 ( -1.476 -2.906 4.313) 5.406 24.724 ( 0.167 -0.796 0.443) 0.926 25.761 ( 1.270 2.525 -1.334) 3.125 26.015 ( -2.505 -0.281 -5.856) 6.376 26.236 ( 0.067 0.284 1.388) 1.418 26.358 ( 1.431 0.142 -0.566) 1.546 26.458 ( 1.732 -3.064 2.775) 4.482 26.600 ( -0.540 1.128 -0.667) 1.417 26.954 ( 1.556 -0.768 -11.482) 11.612 27.059 ( 1.362 4.387 -21.856) 22.334 27.364 ( 1.581 -0.520 -0.162) 1.672 27.545 ( -5.952 -5.671 0.308) 8.227 27.915 ( 0.558 -13.996 -1.228) 14.061 28.006 ( 0.626 0.414 -5.261) 5.315 28.396 ( 1.102 1.063 0.001) 1.531 28.496 ( -0.110 4.490 -5.646) 7.215 28.786 ( -0.086 10.788 4.658) 11.751 28.965 ( -1.225 10.541 -1.146) 10.674 29.109 ( -3.402 0.614 4.426) 5.616 29.273 ( 3.355 -2.044 1.390) 4.167 29.371 ( 0.311 -5.390 11.159) 12.397 29.487 ( -6.735 -3.228 6.980) 10.223 29.814 ( 5.333 -1.117 6.199) 8.253 29.854 ( -2.656 1.777 13.700) 14.068 30.133 ( 3.311 -1.873 -4.796) 6.121 30.243 ( 2.485 -1.605 0.487) 2.998 30.452 ( 0.317 0.528 4.157) 4.202 30.669 ( 1.973 -0.447 -5.398) 5.765 30.861 ( -1.255 4.060 -2.144) 4.760 30.974 ( -3.377 2.989 -2.186) 5.011 31.049 ( -0.336 -7.871 -3.515) 8.626 31.363 ( 5.924 -3.780 -6.932) 9.871 31.608 ( -5.882 -0.668 3.285) 6.770 31.807 ( 2.431 -8.044 5.866) 10.248 32.008 ( 2.007 -1.993 -0.785) 2.935 32.100 ( -4.695 -8.794 3.567) 10.588 32.275 ( -4.587 -6.754 -1.807) 8.362 32.827 ( 4.784 -11.319 1.316) 12.359 33.868 ( 3.353 1.691 1.062) 3.903 33.969 ( -3.285 1.795 -1.093) 3.900 34.640 ( -0.283 -11.341 -3.001) 11.735 34.758 ( -1.105 -7.844 -5.127) 9.436 37.791 ( 2.523 31.156 3.469) 31.449 38.035 ( -2.659 27.808 -1.469) 27.973 39.104 ( 0.355 12.340 -0.059) 12.345 39.227 ( -0.254 11.965 -2.350) 12.196 40.616 ( 0.498 -3.241 1.805) 3.743 40.662 ( 2.517 -2.625 0.454) 3.665 40.800 ( -1.189 2.936 1.902) 3.694 40.839 ( -0.586 4.026 1.669) 4.398 41.862 ( 0.317 -3.258 2.496) 4.117 42.192 ( -0.167 -3.670 -0.704) 3.740 42.280 ( -0.380 -0.895 -1.181) 1.530 42.428 ( -1.264 -6.380 -7.734) 10.105 44.065 ( -1.868 -4.770 1.439) 5.321 44.141 ( 3.087 -7.811 -0.738) 8.431 44.264 ( 0.427 -8.457 1.666) 8.630 44.355 ( -0.111 -11.392 -0.612) 11.409 44.683 ( 0.828 8.085 2.125) 8.400 44.836 ( -1.607 9.315 -0.309) 9.457 44.866 ( 1.821 14.692 0.042) 14.805 44.962 ( -2.173 14.224 2.021) 14.530 45.096 ( -0.450 16.297 0.487) 16.311 45.253 ( 3.129 18.652 -0.758) 18.928 46.261 ( -5.369 -1.869 0.317) 5.694 46.555 ( 1.938 -3.895 -4.018) 5.922 47.126 ( -6.849 -0.817 2.490) 7.334 47.173 ( 3.643 -1.333 2.067) 4.396 47.237 ( 2.652 -1.337 -0.364) 2.992 47.709 ( 1.152 -2.301 -9.655) 9.992 47.966 ( 3.683 -4.685 0.590) 5.989 47.974 ( -3.909 -6.319 -1.130) 7.515 48.210 ( 2.009 -6.872 7.404) 10.300 48.577 ( -2.829 -5.138 -1.517) 6.059 49.691 ( -0.494 0.003 1.349) 1.436 49.893 ( 0.229 -0.833 -3.815) 3.911 50.059 ( 1.178 -2.408 3.532) 4.434 50.328 ( 1.888 -6.639 -2.316) 7.281 52.384 ( 1.464 1.143 1.421) 2.338 52.427 ( -1.343 1.142 0.237) 1.779 52.700 ( -1.257 -1.611 1.390) 2.471 52.751 ( 1.177 -1.610 0.326) 2.021 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -23.651 28.895 -2.553) 37.428 2.178 ( -39.700 16.613 13.195) 45.013 2.490 ( 16.631 28.827 -0.155) 33.281 2.978 ( -1.295 13.720 7.549) 15.713 3.175 ( -0.348 19.939 9.005) 21.881 3.386 ( -13.936 0.876 2.050) 14.113 3.496 ( -23.481 8.743 -14.235) 28.817 3.619 ( 14.947 -0.002 10.678) 18.369 3.722 ( 5.788 -0.437 6.543) 8.746 3.847 ( -9.703 -0.660 4.392) 10.672 4.029 ( 5.559 2.524 1.241) 6.230 4.087 ( 0.043 4.224 5.625) 7.035 4.107 ( -9.895 6.225 -0.176) 11.691 4.257 ( -16.075 -0.040 -3.862) 16.533 4.341 ( 6.459 8.894 -9.963) 14.835 4.396 ( 12.814 -0.021 0.691) 12.833 4.706 ( -3.252 0.021 0.030) 3.252 5.051 ( 2.158 -2.575 -6.915) 7.688 5.174 ( 7.645 4.416 -8.641) 12.354 5.363 ( 7.279 1.084 -7.993) 10.865 5.434 ( 1.075 0.802 -4.475) 4.672 5.487 ( -0.933 -1.646 -8.737) 8.940 5.595 ( 12.893 1.385 -8.265) 15.378 5.667 ( -1.357 -2.725 7.167) 7.787 5.770 ( 21.487 -3.353 -11.457) 24.580 5.972 ( 9.602 -4.474 -3.546) 11.171 6.014 ( 5.430 -4.386 -3.809) 7.952 6.262 ( 4.798 -8.489 -9.161) 13.379 6.936 ( 9.633 -3.752 12.157) 15.958 7.156 ( -0.190 -2.962 -3.562) 4.636 7.197 ( 1.183 -2.841 6.576) 7.261 7.324 ( 1.705 -3.014 6.074) 6.992 7.375 ( -2.496 -0.923 4.865) 5.545 7.488 ( -8.380 -0.398 -4.442) 9.492 7.688 ( 7.265 -5.885 5.294) 10.744 7.724 ( -7.458 -5.007 5.751) 10.666 7.830 ( -13.172 -0.859 15.597) 20.433 7.988 ( -2.724 -2.802 3.069) 4.969 8.143 ( 5.503 -1.125 5.289) 7.715 8.162 ( 9.329 -0.839 4.511) 10.396 8.260 ( -5.065 1.683 -5.637) 7.763 8.469 ( -4.644 0.126 -1.001) 4.753 8.836 ( 2.661 0.619 -10.626) 10.971 8.985 ( -4.711 -4.257 -1.032) 6.433 9.438 ( -10.086 7.334 7.046) 14.323 9.493 ( -4.730 5.292 4.622) 8.470 9.803 ( -3.071 2.565 -2.995) 4.998 10.053 ( 3.392 0.630 -6.634) 7.477 12.564 ( 4.838 3.494 12.036) 13.435 12.760 ( -17.975 5.563 -7.739) 20.346 13.190 ( 5.201 5.963 2.564) 8.317 13.446 ( -3.546 3.084 -13.883) 14.656 13.521 ( -5.789 3.306 -15.037) 16.449 13.715 ( 8.121 -0.098 -0.396) 8.131 14.589 ( -3.819 -1.200 2.140) 4.539 14.891 ( 9.070 -2.470 -5.211) 10.749 16.216 ( -5.356 -6.773 17.476) 19.493 16.721 ( 1.140 -4.062 5.329) 6.796 16.785 ( 8.699 4.331 10.553) 14.345 16.978 ( 8.260 3.867 10.527) 13.928 17.564 ( -2.618 4.143 11.507) 12.507 18.085 ( -3.232 -6.163 -7.765) 10.427 18.142 ( -1.722 -5.803 -12.697) 14.066 18.259 ( 4.279 -10.542 -0.269) 11.381 18.525 ( -5.920 2.487 -1.554) 6.606 18.771 ( -4.902 -4.112 -3.744) 7.413 18.899 ( 9.069 11.878 -7.206) 16.591 18.972 ( 10.453 -3.262 -1.924) 11.118 19.918 ( -1.640 3.647 -1.137) 4.157 19.986 ( -6.842 8.408 -6.285) 12.530 20.834 ( -2.916 -5.882 4.788) 8.125 20.981 ( 5.514 -11.748 2.993) 13.318 21.443 ( 5.507 -7.543 10.073) 13.737 21.556 ( -15.950 -1.168 -9.844) 18.780 21.736 ( -5.010 -4.868 8.528) 11.024 21.997 ( -8.612 0.551 4.256) 9.623 22.244 ( 7.854 -6.765 -7.126) 12.579 22.338 ( 1.261 -3.734 2.110) 4.471 22.693 ( 1.054 -5.368 4.853) 7.313 22.788 ( -8.766 -2.063 7.242) 11.556 22.923 ( -0.313 3.890 -1.956) 4.365 23.000 ( -1.069 -1.037 -5.730) 5.920 23.289 ( -0.276 12.937 5.685) 14.134 23.545 ( 7.039 18.171 -2.997) 19.716 24.020 ( -11.324 25.322 17.427) 32.759 24.292 ( 2.224 8.494 3.367) 9.404 24.625 ( -1.908 -0.925 4.667) 5.126 24.741 ( 0.654 -0.762 2.097) 2.325 25.789 ( 3.438 1.660 -0.860) 3.914 25.886 ( -2.575 -0.314 -7.219) 7.671 26.236 ( -1.396 -1.390 -1.906) 2.741 26.372 ( 3.085 0.018 -2.494) 3.967 26.530 ( 2.332 2.907 3.070) 4.829 26.570 ( -1.123 0.891 -2.051) 2.503 26.768 ( 3.117 5.593 -22.777) 23.660 26.940 ( 9.337 2.506 -10.631) 14.370 27.335 ( -7.282 -6.260 -0.330) 9.608 27.532 ( 6.293 1.807 0.991) 6.622 27.904 ( 1.345 -11.576 -2.766) 11.977 27.995 ( 3.644 -4.170 -2.667) 6.147 28.403 ( -0.890 2.945 -3.764) 4.861 28.451 ( 3.012 2.164 -0.306) 3.722 28.697 ( -10.169 6.189 -1.562) 12.006 29.047 ( 6.271 3.680 -2.041) 7.552 29.158 ( 3.661 8.670 8.474) 12.664 29.328 ( 3.048 -2.420 -0.589) 3.936 29.481 ( -3.969 -2.480 12.096) 12.970 29.554 ( -0.731 -5.528 10.500) 11.889 29.927 ( -5.858 -5.246 6.144) 9.979 29.940 ( 3.104 -1.046 2.411) 4.067 30.137 ( -1.441 2.516 2.947) 4.134 30.321 ( 4.955 -0.823 3.612) 6.187 30.514 ( 2.780 -0.311 -1.470) 3.160 30.605 ( 2.063 1.988 -7.433) 7.966 30.745 ( -10.042 -0.458 0.573) 10.069 30.903 ( -5.845 1.512 2.286) 6.455 31.006 ( -0.028 -4.342 -2.833) 5.185 31.330 ( 3.824 -2.276 -10.636) 11.529 31.537 ( -6.614 1.112 2.071) 7.019 31.890 ( -5.485 -15.362 8.003) 18.169 32.009 ( -1.073 -10.107 -3.869) 10.876 32.063 ( 4.765 1.860 -3.797) 6.370 32.222 ( -10.195 -12.366 10.726) 19.284 32.877 ( 1.444 -11.358 -1.505) 11.548 33.880 ( -3.190 1.200 -2.833) 4.432 33.977 ( 5.545 1.964 2.338) 6.331 34.602 ( 0.165 -8.354 -2.800) 8.812 34.675 ( -0.311 -6.492 -5.862) 8.753 37.927 ( 7.014 34.331 5.929) 35.538 37.958 ( -2.481 26.956 -2.680) 27.202 39.115 ( 0.626 12.097 0.292) 12.117 39.185 ( -0.733 12.503 -2.950) 12.867 40.620 ( -2.521 -3.623 0.705) 4.470 40.703 ( 1.374 -3.188 -0.129) 3.474 40.799 ( -1.323 1.855 2.742) 3.565 40.873 ( 2.059 5.651 1.052) 6.106 41.938 ( 2.979 -3.648 5.230) 7.038 42.175 ( 0.592 -4.078 -2.719) 4.937 42.268 ( 0.744 -1.496 -1.243) 2.082 42.312 ( -0.463 -5.368 -7.255) 9.037 43.984 ( -8.498 -2.881 0.475) 8.985 44.093 ( -7.447 -11.007 0.494) 13.299 44.345 ( 5.658 -9.311 1.041) 10.944 44.386 ( 3.858 -10.054 -0.707) 10.792 44.751 ( 3.583 10.196 3.534) 11.370 44.809 ( -0.319 8.429 -1.239) 8.526 44.899 ( 0.424 11.895 0.638) 11.919 44.957 ( 0.434 16.623 1.508) 16.697 45.106 ( 0.148 17.364 1.853) 17.463 45.311 ( 5.004 21.108 0.289) 21.695 46.194 ( -1.485 -1.310 -3.843) 4.323 46.551 ( 3.329 -3.347 -3.072) 5.632 47.030 ( -7.224 -0.630 1.900) 7.496 47.255 ( 3.419 -3.028 0.434) 4.587 47.338 ( 7.292 0.007 3.030) 7.897 47.632 ( 4.497 -2.243 -9.456) 10.709 47.905 ( -3.631 -7.116 -0.444) 8.001 48.030 ( 3.790 -3.212 0.432) 4.987 48.348 ( 2.733 -8.281 8.826) 12.408 48.512 ( -1.069 -4.757 -3.790) 6.175 49.679 ( -3.650 -0.075 2.037) 4.180 49.831 ( -1.863 -0.374 -3.774) 4.226 50.089 ( -3.340 -3.063 3.938) 6.004 50.314 ( 0.972 -8.103 -4.438) 9.290 52.384 ( -3.407 1.437 -0.187) 3.702 52.420 ( -0.562 -0.379 2.628) 2.714 52.687 ( -2.683 -1.884 1.383) 3.558 52.766 ( 0.112 -1.686 0.346) 1.725 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -25.111 31.373 1.523) 40.214 1.695 ( -45.941 12.686 12.508) 49.275 2.346 ( -45.175 28.600 -9.449) 54.296 2.792 ( 9.281 23.933 -0.616) 25.677 3.197 ( 0.487 16.822 1.802) 16.925 3.252 ( -3.873 6.630 1.377) 7.801 3.354 ( -10.043 8.332 -1.190) 13.103 3.465 ( -10.931 -2.714 2.423) 11.521 3.723 ( -4.561 0.464 -5.170) 6.910 4.006 ( -3.964 4.100 6.367) 8.547 4.059 ( 2.965 4.807 8.639) 10.321 4.170 ( -7.617 0.923 10.116) 12.696 4.195 ( 11.944 0.740 20.310) 23.574 4.361 ( 7.618 9.067 -4.917) 12.823 4.388 ( 22.020 2.835 -1.634) 22.262 4.618 ( 1.370 -1.386 4.406) 4.818 4.747 ( 11.407 3.193 3.476) 12.345 5.047 ( 5.518 -2.858 -5.749) 8.466 5.177 ( 4.838 2.032 -8.927) 10.355 5.271 ( 3.204 2.802 -13.417) 14.076 5.397 ( 0.729 -1.306 -5.311) 5.518 5.437 ( 0.358 -1.154 0.864) 1.485 5.557 ( 1.593 1.806 -13.125) 13.344 5.769 ( -0.839 -2.788 9.722) 10.149 5.976 ( 18.831 -0.214 -6.232) 19.836 6.055 ( 7.376 -11.694 -6.115) 15.118 6.129 ( 7.353 -8.157 -0.948) 11.023 6.323 ( 20.961 0.580 -8.266) 22.540 7.019 ( -0.762 -0.731 -15.001) 15.038 7.155 ( 4.315 -5.076 4.776) 8.197 7.180 ( -3.845 -2.186 -0.499) 4.451 7.238 ( -6.783 -1.280 -9.758) 11.953 7.371 ( -0.241 -3.735 3.136) 4.883 7.523 ( -1.435 -0.440 10.540) 10.647 7.661 ( -5.536 -6.078 -0.851) 8.265 7.756 ( -8.702 -2.776 5.718) 10.776 7.833 ( 2.547 -6.152 0.853) 6.713 8.034 ( -4.477 -3.751 5.649) 8.126 8.096 ( -6.404 1.765 2.783) 7.202 8.300 ( 5.053 0.381 2.271) 5.553 8.341 ( 3.867 -1.809 4.979) 6.559 8.437 ( -1.971 1.526 4.532) 5.172 8.765 ( 4.007 1.567 -7.070) 8.276 8.906 ( -6.199 -6.782 2.327) 9.479 9.354 ( -10.955 9.516 7.093) 16.152 9.468 ( -7.280 4.194 5.800) 10.210 9.685 ( -4.216 2.999 -5.810) 7.780 10.031 ( 2.447 0.281 -4.218) 4.884 12.395 ( -13.303 7.079 -8.720) 17.411 12.791 ( 1.284 1.512 13.570) 13.714 13.131 ( -10.928 8.964 -2.777) 14.404 13.313 ( 1.531 6.857 -8.431) 10.974 13.398 ( 4.934 -0.785 -0.312) 5.006 13.834 ( 7.056 -2.835 -0.005) 7.604 14.580 ( -2.443 -5.031 2.495) 6.124 14.974 ( 10.259 1.160 -3.663) 10.955 16.309 ( -3.719 1.391 8.211) 9.121 16.758 ( 3.219 -4.679 -1.251) 5.816 16.930 ( 0.123 3.224 -1.102) 3.409 17.205 ( 8.069 -1.910 1.377) 8.405 17.776 ( -0.186 2.086 18.664) 18.781 17.879 ( -5.544 -10.102 -5.347) 12.703 18.061 ( 3.243 -2.744 -4.281) 6.031 18.273 ( 3.628 -1.346 -6.968) 7.970 18.461 ( -2.039 -3.098 -0.755) 3.785 18.705 ( 2.437 -5.231 1.477) 5.957 18.958 ( 8.892 9.230 -5.046) 13.774 19.074 ( 5.566 -6.647 -3.576) 9.378 19.785 ( -5.981 11.101 -4.332) 13.333 19.936 ( -1.927 10.245 3.154) 10.891 20.835 ( -1.199 -6.027 1.027) 6.230 21.094 ( -9.690 -8.896 -3.888) 13.717 21.172 ( -1.326 -3.059 -3.271) 4.671 21.566 ( -6.990 -11.718 9.287) 16.505 21.790 ( -0.136 4.803 4.259) 6.421 21.892 ( -10.057 -0.419 2.541) 10.381 22.231 ( 1.175 -4.338 -6.464) 7.873 22.392 ( 4.095 -11.725 -0.522) 12.430 22.693 ( -8.417 -0.659 3.902) 9.301 22.739 ( -5.237 -8.094 1.907) 9.827 22.875 ( 0.654 -3.101 -1.747) 3.618 23.002 ( 1.211 2.859 3.190) 4.451 23.321 ( 1.868 15.374 -2.087) 15.627 23.633 ( 6.121 16.236 -1.057) 17.384 23.992 ( -13.768 8.052 8.724) 18.179 24.511 ( 2.503 3.909 14.900) 15.607 24.695 ( 5.124 6.027 9.751) 12.556 24.817 ( 2.641 4.924 13.526) 14.635 25.711 ( -0.952 -0.737 -16.313) 16.358 25.849 ( -0.095 -1.278 0.871) 1.550 26.092 ( -4.667 3.564 -10.572) 12.094 26.425 ( 5.701 2.650 1.006) 6.367 26.510 ( 3.826 6.936 -9.244) 12.174 26.591 ( 1.408 7.280 1.256) 7.521 26.620 ( 2.010 1.202 -5.870) 6.320 26.982 ( 5.820 -2.366 -4.594) 7.783 27.230 ( -1.986 1.461 -0.564) 2.529 27.698 ( 8.245 1.115 4.398) 9.411 27.905 ( 2.797 -8.670 -1.862) 9.299 28.022 ( 3.902 -7.375 -2.567) 8.729 28.323 ( -4.957 1.636 -1.522) 5.437 28.496 ( 0.575 3.219 -0.575) 3.320 28.584 ( 0.877 4.977 -0.444) 5.074 29.053 ( -2.393 -0.864 1.304) 2.859 29.318 ( 2.799 -0.867 0.953) 3.082 29.400 ( 5.465 4.176 2.800) 7.426 29.570 ( -2.648 -1.834 10.187) 10.684 29.666 ( 4.828 -1.315 3.191) 5.935 29.842 ( -7.294 -7.758 -1.151) 10.711 29.913 ( -3.321 -2.094 -6.557) 7.643 30.186 ( -1.891 2.537 9.447) 9.963 30.403 ( 0.414 -1.556 -2.519) 2.989 30.456 ( -3.145 -2.188 -8.431) 9.261 30.521 ( -6.433 -3.610 1.107) 7.459 30.702 ( 0.315 1.386 6.561) 6.713 30.865 ( -2.618 -0.153 0.434) 2.658 30.977 ( -1.381 -2.750 -0.154) 3.081 31.205 ( -2.265 -4.664 -13.269) 14.246 31.476 ( -6.119 1.808 4.146) 7.610 31.766 ( -17.791 -23.083 5.802) 29.716 32.009 ( 1.023 -6.308 0.182) 6.393 32.098 ( 1.264 -4.087 -1.639) 4.581 32.176 ( -10.361 -13.924 9.203) 19.645 32.845 ( 0.398 -8.390 -4.913) 9.731 33.792 ( -2.812 1.682 -2.905) 4.379 34.095 ( 5.317 1.387 2.110) 5.886 34.584 ( 0.109 -6.794 -0.526) 6.815 34.619 ( 0.313 -4.464 -2.248) 5.008 37.874 ( -1.840 24.361 -3.096) 24.626 38.206 ( 17.663 40.915 7.274) 45.155 39.123 ( -0.270 12.044 0.350) 12.052 39.139 ( -0.526 12.289 -2.427) 12.537 40.572 ( -3.156 -2.490 -0.439) 4.044 40.668 ( -2.614 -2.323 -3.640) 5.048 40.824 ( -0.409 1.153 2.401) 2.694 40.924 ( 3.708 5.719 -0.338) 6.824 42.051 ( 1.739 -6.848 4.970) 8.638 42.155 ( 3.214 -3.805 -3.028) 5.828 42.262 ( 0.485 -2.517 -0.474) 2.607 42.276 ( 1.633 -3.170 -1.162) 3.751 43.852 ( -8.462 -1.283 -0.051) 8.559 43.952 ( -10.975 -12.131 -0.198) 16.360 44.424 ( 3.501 -7.931 -1.087) 8.737 44.440 ( 3.735 -10.349 0.848) 11.035 44.794 ( 1.227 7.193 -1.678) 7.487 44.870 ( 2.320 9.849 2.015) 10.317 44.890 ( 1.843 10.870 0.877) 11.060 45.010 ( 1.990 13.970 0.896) 14.140 45.175 ( 4.948 20.354 3.724) 21.275 45.458 ( 16.875 32.847 1.708) 36.967 46.094 ( -3.537 -0.595 -6.376) 7.315 46.578 ( 3.437 -2.095 -1.176) 4.194 46.960 ( -5.333 -0.518 2.231) 5.804 47.301 ( 3.511 -3.766 -1.343) 5.321 47.496 ( 7.264 0.327 4.100) 8.347 47.616 ( 6.301 -1.951 -6.705) 9.405 47.852 ( -3.572 -7.717 0.727) 8.535 48.097 ( 4.244 -2.330 0.451) 4.863 48.426 ( 0.162 -5.870 -3.913) 7.057 48.534 ( 2.253 -9.996 9.460) 13.946 49.634 ( -5.853 -0.297 2.686) 6.446 49.755 ( -1.807 -0.255 -3.592) 4.029 50.057 ( -6.806 -3.382 3.771) 8.484 50.214 ( -3.809 -10.502 -10.229) 15.147 52.328 ( -3.282 1.628 -0.325) 3.678 52.421 ( -4.465 -4.414 2.414) 6.727 52.654 ( -3.406 -2.300 0.930) 4.214 52.764 ( -0.384 -1.609 -0.148) 1.661 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -33.290 18.134 6.938) 38.539 1.312 ( -27.171 30.263 25.927) 48.232 1.838 ( -36.968 42.903 31.201) 64.659 2.895 ( 4.890 20.145 -5.416) 21.426 3.009 ( -8.316 -2.177 -2.126) 8.855 3.163 ( 2.321 18.440 -8.187) 20.309 3.346 ( 0.712 17.994 1.412) 18.063 3.499 ( -9.077 -6.497 17.239) 20.538 3.714 ( 0.639 6.946 9.414) 11.717 4.019 ( -5.331 5.886 8.939) 11.957 4.129 ( -8.205 0.369 8.774) 12.018 4.185 ( 1.351 4.558 -3.171) 5.714 4.421 ( 6.788 6.097 -4.990) 10.399 4.532 ( 11.078 -0.345 -4.656) 12.022 4.597 ( -4.075 -1.283 7.927) 9.005 4.725 ( 10.710 3.126 0.038) 11.157 4.928 ( 6.991 3.235 0.555) 7.723 5.057 ( 2.635 -1.783 -3.104) 4.445 5.101 ( 7.314 -0.563 -6.008) 9.482 5.255 ( 2.073 2.261 -3.149) 4.396 5.329 ( 0.186 -1.143 -4.971) 5.104 5.407 ( 3.033 0.995 -9.802) 10.309 5.478 ( 3.788 0.741 -2.197) 4.441 5.859 ( -2.797 -2.436 9.060) 9.790 6.014 ( 5.689 -11.303 -11.652) 17.202 6.168 ( 11.853 -1.543 -11.077) 16.296 6.200 ( 5.183 -7.974 -3.693) 10.202 6.487 ( 16.669 2.477 -18.237) 24.831 6.878 ( 5.571 0.153 -8.883) 10.486 7.019 ( 2.340 0.149 -11.392) 11.631 7.153 ( -1.482 -3.283 0.081) 3.603 7.235 ( -0.966 -3.841 1.926) 4.404 7.408 ( 0.444 -3.739 3.237) 4.965 7.532 ( -6.347 -6.039 -2.514) 9.115 7.554 ( -6.278 -1.709 3.195) 7.248 7.750 ( -1.277 -5.124 1.809) 5.582 7.782 ( -3.937 -2.094 0.853) 4.540 7.973 ( -1.631 -1.293 0.099) 2.084 8.100 ( -10.952 0.325 12.352) 16.511 8.370 ( 1.040 -0.441 1.391) 1.792 8.440 ( -3.579 -1.854 12.458) 13.094 8.458 ( 2.330 1.700 -2.707) 3.956 8.798 ( 4.786 1.345 -1.032) 5.077 8.873 ( -6.063 -10.023 8.148) 14.269 9.290 ( -8.507 8.088 6.381) 13.361 9.434 ( -7.589 4.199 8.217) 11.947 9.569 ( -0.369 3.640 -5.868) 6.915 10.022 ( 2.229 0.272 -3.121) 3.845 12.182 ( -4.313 8.074 -2.943) 9.615 12.856 ( -3.696 2.491 -3.805) 5.860 12.978 ( -6.054 4.576 4.869) 9.016 13.361 ( 2.171 9.085 12.129) 15.309 13.493 ( 2.399 -1.137 4.555) 5.272 13.910 ( 3.459 -3.527 -1.313) 5.111 14.542 ( -2.271 -7.446 -3.661) 8.603 15.116 ( 12.769 3.512 -4.643) 14.034 16.330 ( 1.809 8.189 -1.149) 8.464 16.762 ( 1.844 -6.102 -6.219) 8.906 16.782 ( -7.965 2.289 -9.089) 12.300 17.269 ( 6.888 -2.065 -7.380) 10.304 17.664 ( -6.921 -6.284 -3.403) 9.949 17.917 ( -8.189 -4.101 -0.155) 9.160 18.123 ( 6.385 -1.676 -1.003) 6.677 18.341 ( 7.468 4.348 6.278) 10.682 18.418 ( -1.014 -3.077 -1.117) 3.427 18.864 ( 3.259 -9.139 8.996) 13.231 19.050 ( 6.126 4.885 -3.451) 8.561 19.088 ( 5.917 -2.933 3.248) 7.359 19.717 ( 3.465 12.175 -3.879) 13.239 19.907 ( -4.588 13.689 -2.011) 14.577 20.778 ( -8.415 2.481 -7.246) 11.378 20.821 ( -1.011 -4.675 -0.933) 4.873 21.252 ( -0.729 -9.170 -0.075) 9.199 21.464 ( -17.749 -15.863 3.314) 24.034 21.726 ( -11.354 -3.963 -1.962) 12.185 21.798 ( 1.166 8.931 -3.888) 9.810 22.154 ( -2.309 -0.543 -0.393) 2.404 22.435 ( 1.347 -15.199 -1.017) 15.292 22.620 ( -4.020 5.959 2.798) 7.713 22.679 ( -4.915 -9.005 2.834) 10.643 22.890 ( -0.543 -4.979 1.275) 5.169 23.038 ( -1.676 -0.448 2.133) 2.749 23.326 ( 5.590 19.663 -5.206) 21.095 23.664 ( 1.443 15.071 -7.877) 17.067 23.847 ( -12.865 5.391 3.413) 14.360 24.545 ( -3.261 -2.662 0.070) 4.210 24.756 ( 1.641 1.190 -6.475) 6.785 24.973 ( -5.508 13.527 -32.504) 35.635 25.731 ( 7.437 -2.759 17.689) 19.386 25.872 ( -2.749 -9.340 22.413) 24.436 26.000 ( 0.011 4.779 -0.304) 4.788 26.437 ( -0.004 -3.457 -3.529) 4.940 26.531 ( 4.429 3.503 -5.389) 7.806 26.617 ( 0.643 5.769 -0.624) 5.838 26.925 ( 33.848 10.756 32.773) 48.326 26.983 ( 0.161 -4.498 1.016) 4.614 27.293 ( 7.600 6.432 2.480) 10.260 27.820 ( 2.486 0.284 1.390) 2.862 27.915 ( -1.047 -6.374 -2.208) 6.826 28.073 ( 5.205 -6.462 0.705) 8.327 28.253 ( -4.824 2.631 4.264) 6.955 28.485 ( 0.097 4.600 -0.386) 4.617 28.648 ( 3.237 -0.130 1.327) 3.500 29.026 ( -3.106 -0.995 1.128) 3.451 29.327 ( -0.020 -3.709 -2.019) 4.223 29.417 ( -2.985 -0.690 -2.088) 3.707 29.575 ( -15.630 -11.484 -9.448) 21.574 29.633 ( -1.658 -2.924 2.126) 3.977 29.826 ( 4.135 -1.085 -0.705) 4.333 29.836 ( 1.718 -0.774 3.533) 4.004 30.101 ( -24.737 -10.621 -1.361) 26.955 30.274 ( 1.384 3.265 0.953) 3.672 30.398 ( -0.836 1.466 4.230) 4.555 30.493 ( -2.067 -2.591 -2.116) 3.932 30.692 ( -14.434 -10.730 -6.798) 19.227 30.798 ( 0.025 -0.578 5.377) 5.408 30.963 ( -1.865 -0.632 1.159) 2.285 30.994 ( -4.267 -0.361 -2.618) 5.019 31.458 ( -5.319 -0.029 7.046) 8.828 31.606 ( -13.656 -12.974 9.782) 21.225 31.936 ( -9.442 -13.350 2.589) 16.555 32.100 ( 4.414 2.851 -2.789) 5.949 32.195 ( -2.048 -6.689 6.175) 9.331 32.792 ( 1.985 -5.728 -6.036) 8.555 33.748 ( -0.394 1.932 0.698) 2.092 34.171 ( 2.392 1.095 -0.026) 2.631 34.593 ( 0.416 -7.198 2.182) 7.533 34.652 ( 0.334 -6.837 6.249) 9.268 37.832 ( 0.230 23.638 -1.486) 23.686 38.549 ( 21.276 35.295 -12.983) 43.208 39.111 ( 0.077 12.714 0.002) 12.714 39.142 ( 0.508 10.982 3.701) 11.600 40.532 ( -1.372 -1.613 0.085) 2.120 40.583 ( -1.955 0.049 -0.639) 2.057 40.835 ( -1.034 1.418 1.362) 2.222 40.965 ( 4.947 5.447 -4.075) 8.411 42.096 ( 1.376 -9.422 0.889) 9.563 42.207 ( 1.506 -5.582 1.698) 6.026 42.266 ( -0.706 -2.384 1.271) 2.792 42.318 ( 2.179 -2.962 2.467) 4.428 43.739 ( -5.883 -0.764 -0.402) 5.946 43.769 ( -10.001 -6.202 -1.320) 11.842 44.451 ( 1.899 -5.968 -0.600) 6.291 44.492 ( 1.761 -11.095 0.440) 11.242 44.798 ( 1.970 7.581 -1.745) 8.024 44.855 ( -0.807 8.675 -0.688) 8.739 44.972 ( 2.522 10.424 0.376) 10.732 45.025 ( -0.342 11.091 1.321) 11.175 45.268 ( 3.399 15.898 -0.478) 16.264 45.656 ( 16.818 32.437 -43.755) 57.004 46.294 ( 29.140 10.082 32.183) 44.570 46.617 ( 1.995 -0.933 0.280) 2.220 46.928 ( -3.090 -0.476 4.114) 5.167 47.334 ( 3.652 -4.975 -2.148) 6.535 47.639 ( 4.932 0.373 0.611) 4.984 47.651 ( 4.866 0.283 -1.012) 4.978 47.836 ( -0.115 -9.752 4.523) 10.751 48.158 ( 2.820 -1.556 -0.257) 3.231 48.385 ( 2.515 -4.995 -4.414) 7.125 48.614 ( -13.287 -19.175 5.875) 24.057 49.573 ( -5.990 -0.541 2.408) 6.479 49.702 ( 0.785 -0.558 -3.069) 3.216 49.914 ( -10.509 -5.706 -7.026) 13.869 50.009 ( -7.587 -2.399 1.957) 8.194 52.262 ( -8.246 -2.929 -0.599) 8.772 52.314 ( -6.572 0.066 -1.137) 6.670 52.618 ( -2.007 -1.816 0.686) 2.793 52.752 ( -0.227 -1.622 -1.041) 1.941 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 16.481 18.908 35.767) 43.685 1.974 ( -16.800 23.088 41.894) 50.699 2.707 ( 5.796 5.074 17.175) 18.823 3.109 ( -0.144 32.668 12.400) 34.943 3.335 ( -7.651 -11.360 22.821) 26.615 3.423 ( -0.777 28.996 -10.931) 30.998 3.677 ( -0.246 25.096 0.800) 25.110 3.789 ( -2.697 17.857 0.214) 18.060 4.036 ( -6.432 7.071 -17.700) 20.116 4.043 ( 0.621 10.282 3.715) 10.950 4.111 ( -8.689 2.940 -0.604) 9.193 4.271 ( -12.148 1.565 -7.226) 14.221 4.307 ( -4.366 8.658 -0.505) 9.710 4.470 ( -1.956 1.938 1.435) 3.105 4.672 ( -1.739 0.241 5.151) 5.442 4.868 ( 6.884 2.596 -5.160) 8.987 5.017 ( -3.917 0.745 1.139) 4.147 5.083 ( 8.698 -1.794 -4.577) 9.991 5.151 ( -1.198 -0.828 1.142) 1.850 5.313 ( 2.593 1.333 2.179) 3.640 5.340 ( 6.576 -2.130 -8.722) 11.129 5.388 ( 4.685 0.313 1.219) 4.851 5.500 ( 4.396 -0.153 -2.404) 5.012 5.711 ( 5.115 -12.858 -7.205) 15.601 5.758 ( -3.017 -8.759 2.096) 9.498 5.894 ( 1.212 -17.005 0.510) 17.056 6.125 ( 8.315 7.490 -32.268) 34.153 6.461 ( 8.167 1.266 -23.806) 25.200 6.924 ( 6.570 0.303 -3.315) 7.365 7.012 ( 6.367 -3.689 -0.676) 7.389 7.050 ( 2.164 -6.324 0.716) 6.722 7.131 ( 1.405 -3.207 -2.666) 4.401 7.219 ( -3.612 -10.195 -2.642) 11.134 7.332 ( 2.575 -9.395 0.596) 9.760 7.444 ( -7.185 -1.543 1.411) 7.483 7.602 ( -2.996 -7.400 0.534) 8.002 7.749 ( -1.566 -1.858 4.756) 5.341 7.959 ( -4.714 -3.998 7.646) 9.832 8.132 ( -3.631 4.774 6.274) 8.680 8.353 ( -1.972 -0.435 -1.029) 2.266 8.460 ( -2.354 -0.239 -0.515) 2.422 8.483 ( -0.726 -0.616 4.651) 4.748 8.769 ( -3.432 -2.480 8.753) 9.724 8.860 ( 0.819 -1.385 3.491) 3.844 9.433 ( -3.901 9.987 1.526) 10.829 9.561 ( -2.685 5.711 5.244) 8.205 9.659 ( 3.536 6.202 -0.399) 7.150 10.021 ( 2.775 -1.318 -2.168) 3.760 12.427 ( 4.925 13.113 2.559) 14.239 12.791 ( -5.273 6.441 -7.065) 10.918 13.171 ( 4.040 3.306 11.086) 12.253 13.509 ( -3.265 -1.534 5.301) 6.412 13.704 ( 1.317 -3.200 4.113) 5.375 13.951 ( -3.954 13.994 9.462) 17.350 14.231 ( 1.617 -11.454 -6.616) 13.326 15.064 ( 0.088 -8.781 -5.266) 10.240 16.347 ( -5.090 5.770 -15.062) 16.914 16.596 ( 3.892 1.100 -13.675) 14.260 16.949 ( 4.277 9.183 4.749) 11.188 17.203 ( 7.588 -8.250 -2.954) 11.592 17.544 ( -1.000 3.667 -3.168) 4.948 17.649 ( -10.166 -3.988 -4.918) 11.977 18.117 ( 3.018 -7.780 5.658) 10.082 18.248 ( 0.552 -10.497 0.530) 10.525 18.501 ( -0.679 3.116 4.854) 5.808 18.767 ( -6.042 2.971 1.584) 6.917 19.049 ( 6.285 -12.466 10.386) 17.400 19.288 ( -0.622 -4.428 5.841) 7.356 19.990 ( 8.988 11.231 -9.604) 17.296 20.055 ( -4.644 13.468 -6.002) 15.459 20.626 ( -0.283 -8.912 -5.802) 10.638 20.740 ( 2.178 -7.247 -4.955) 9.045 20.999 ( -3.576 -0.630 5.724) 6.778 21.218 ( -3.977 6.409 -1.674) 7.726 21.531 ( 1.129 -7.899 5.310) 9.585 21.861 ( -0.642 -0.826 -4.608) 4.726 22.109 ( -4.726 -1.394 5.416) 7.322 22.316 ( 4.174 -1.104 -1.222) 4.487 22.502 ( 0.909 -5.524 1.891) 5.909 22.630 ( 0.300 -11.331 -1.920) 11.496 23.069 ( -0.125 22.505 3.513) 22.778 23.208 ( -3.169 14.437 6.193) 16.025 23.716 ( 3.226 11.169 -4.635) 12.516 23.871 ( 0.243 17.565 -9.629) 20.033 24.087 ( -0.954 14.213 3.660) 14.707 24.435 ( -3.005 -3.609 2.325) 5.240 24.711 ( -0.420 1.644 -7.143) 7.342 24.780 ( -5.487 3.942 -13.545) 15.137 25.771 ( 0.584 -1.838 3.031) 3.593 25.951 ( 0.451 -6.556 13.389) 14.914 26.061 ( 1.040 2.379 -2.312) 3.477 26.286 ( -0.463 -5.711 -2.461) 6.236 26.572 ( 0.962 3.702 -0.524) 3.860 26.799 ( -0.295 10.528 -1.898) 10.702 26.946 ( 0.879 -2.961 7.690) 8.287 27.408 ( -1.599 3.240 -2.912) 4.640 27.649 ( 6.252 -7.815 15.173) 18.177 27.780 ( 4.069 -10.027 5.129) 11.974 27.871 ( 2.721 -0.235 2.021) 3.398 27.949 ( -0.735 -9.126 -0.718) 9.184 28.357 ( 0.635 1.800 9.655) 9.842 28.488 ( -1.778 -4.039 4.576) 6.357 28.701 ( -2.693 8.033 3.022) 8.995 29.000 ( 2.125 0.958 -4.566) 5.127 29.078 ( -6.416 -1.571 2.065) 6.921 29.228 ( -2.144 -3.392 -3.525) 5.341 29.351 ( -2.435 -1.541 -4.500) 5.343 29.446 ( -4.809 -6.553 -3.961) 9.042 29.833 ( 5.070 -0.817 3.463) 6.194 29.901 ( 2.074 -2.429 8.111) 8.718 30.005 ( -3.242 5.663 -4.673) 8.026 30.306 ( 4.981 0.970 -3.530) 6.182 30.423 ( -6.885 3.871 -2.984) 8.443 30.454 ( 1.858 1.803 -4.079) 4.831 30.609 ( 11.489 -2.203 6.848) 13.555 30.733 ( -5.530 -3.419 0.420) 6.515 30.976 ( -0.895 2.268 -0.482) 2.486 31.023 ( 0.702 4.719 -2.351) 5.318 31.364 ( -1.479 -3.986 1.160) 4.407 31.512 ( -4.242 -3.085 -2.599) 5.854 31.803 ( 1.127 -3.001 7.406) 8.069 32.057 ( -3.575 -7.447 6.223) 10.342 32.229 ( 3.146 4.190 -1.713) 5.513 32.633 ( 3.830 -7.053 -5.815) 9.911 33.866 ( 1.330 4.604 4.747) 6.745 34.193 ( -1.291 2.417 -2.727) 3.866 34.429 ( -0.427 -11.123 3.133) 11.563 34.528 ( 0.033 -7.814 0.887) 7.865 38.485 ( 1.380 33.584 2.350) 33.695 39.016 ( -2.512 25.765 -13.925) 29.395 39.460 ( 0.821 16.219 0.742) 16.257 39.464 ( 0.376 11.999 3.030) 12.382 40.487 ( 0.177 -1.401 0.575) 1.525 40.581 ( 0.912 -0.788 -0.370) 1.260 40.864 ( -1.871 1.939 0.508) 2.743 41.013 ( 0.578 0.342 -4.283) 4.336 41.873 ( -1.035 -11.288 3.909) 11.990 42.093 ( 0.753 -7.083 1.545) 7.288 42.155 ( 0.107 -7.175 -1.948) 7.436 42.266 ( -0.234 -5.520 1.115) 5.636 43.665 ( 0.070 1.932 0.335) 1.962 43.746 ( 0.520 3.303 -0.844) 3.449 44.251 ( -0.767 -12.737 0.657) 12.777 44.280 ( 0.525 -11.073 0.178) 11.087 45.026 ( 1.571 11.499 0.426) 11.614 45.112 ( 0.327 13.364 0.469) 13.376 45.199 ( -2.691 12.256 -3.208) 12.952 45.324 ( -0.112 12.532 1.160) 12.586 45.649 ( -0.308 19.469 -1.970) 19.571 45.720 ( -0.793 15.350 -15.665) 21.946 46.618 ( -0.605 -2.052 0.730) 2.260 46.746 ( 5.441 -8.281 -0.858) 9.946 46.927 ( -1.281 -2.792 4.228) 5.226 47.193 ( 0.875 -7.424 -2.081) 7.760 47.524 ( -2.427 -11.608 0.502) 11.869 47.607 ( 2.319 -6.578 -1.740) 7.188 47.882 ( -2.892 3.523 3.162) 5.547 48.115 ( -1.186 -1.798 -2.569) 3.352 48.194 ( -6.994 -2.134 1.983) 7.576 48.298 ( 5.557 -5.855 -0.221) 8.075 49.538 ( -1.797 0.558 2.101) 2.821 49.699 ( 4.407 -0.671 -1.602) 4.737 49.805 ( 1.726 -6.245 4.509) 7.893 49.900 ( 0.143 -4.140 0.850) 4.228 52.227 ( -0.791 5.488 1.500) 5.744 52.362 ( 0.338 5.047 -1.459) 5.265 52.558 ( -0.391 -3.433 1.336) 3.705 52.682 ( 0.287 -3.458 -1.412) 3.747 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -5.123 17.658 38.838) 42.970 2.452 ( 13.147 23.436 29.370) 39.809 3.139 ( 11.384 -4.133 19.650) 23.083 3.256 ( 1.418 33.282 -16.098) 36.998 3.310 ( 2.664 28.317 6.881) 29.263 3.497 ( -5.838 9.033 -19.044) 21.871 3.537 ( -4.426 -0.384 15.095) 15.735 3.666 ( -3.497 0.819 4.918) 6.090 3.831 ( -8.450 12.930 -9.101) 17.928 3.872 ( -0.739 22.851 8.370) 24.347 4.059 ( -6.960 6.402 7.964) 12.363 4.103 ( -6.910 1.025 1.211) 7.090 4.348 ( -0.697 8.195 7.937) 11.430 4.473 ( -0.910 0.677 2.123) 2.407 4.676 ( -3.781 2.770 2.740) 5.429 4.879 ( -10.295 0.886 -2.752) 10.693 4.912 ( 1.832 2.688 -0.388) 3.276 5.037 ( -5.265 -1.044 -2.528) 5.934 5.186 ( 2.711 -1.595 -1.136) 3.344 5.292 ( -2.856 1.714 0.173) 3.335 5.342 ( 5.351 -4.294 -4.079) 7.982 5.525 ( 2.764 -1.671 -2.698) 4.208 5.569 ( 14.054 -0.826 -4.465) 14.769 5.664 ( -0.772 -2.531 -8.580) 8.979 5.720 ( 10.047 -4.226 -15.518) 18.964 5.860 ( 6.456 -7.955 -15.353) 18.458 5.933 ( 1.997 -4.984 -6.716) 8.599 6.251 ( 3.678 -2.379 -21.406) 21.850 6.953 ( -6.392 -4.730 -5.472) 9.653 7.012 ( 4.954 -0.223 0.401) 4.975 7.058 ( -0.236 -6.796 1.335) 6.930 7.155 ( -1.256 -6.252 -3.717) 7.381 7.210 ( -4.761 -3.074 -6.629) 8.721 7.287 ( 9.069 -2.983 2.946) 9.991 7.487 ( 2.334 -10.019 5.526) 11.678 7.535 ( -3.790 -10.256 -2.034) 11.121 7.798 ( -5.003 -2.277 10.456) 11.813 7.947 ( -7.827 -2.452 7.872) 11.368 8.166 ( 1.048 2.369 -4.040) 4.799 8.267 ( -5.773 0.050 -1.683) 6.014 8.370 ( -5.269 2.155 -0.167) 5.695 8.555 ( 0.308 -2.621 5.874) 6.439 8.821 ( -1.992 -0.696 6.442) 6.779 8.942 ( 2.193 -2.329 5.194) 6.100 9.422 ( 0.295 10.405 1.179) 10.476 9.594 ( 0.064 4.752 3.252) 5.759 9.739 ( 5.418 6.378 1.274) 8.465 10.048 ( 4.375 -0.924 -2.420) 5.084 12.593 ( 9.269 10.849 4.238) 14.885 12.628 ( -3.616 8.662 -7.275) 11.876 13.420 ( 6.756 5.194 9.500) 12.762 13.499 ( -2.872 -5.072 6.945) 9.067 13.733 ( -0.151 -4.960 0.063) 4.963 13.946 ( -4.660 5.848 1.071) 7.554 14.333 ( 7.891 -1.549 10.969) 13.601 14.970 ( -1.429 -6.599 -7.731) 10.265 16.033 ( -11.705 4.928 -11.857) 17.375 16.482 ( 3.183 -0.876 -16.023) 16.360 17.002 ( -2.895 3.688 0.554) 4.721 17.168 ( -4.772 3.959 -7.555) 9.774 17.456 ( -3.717 1.033 -4.336) 5.804 17.649 ( 12.957 -2.595 4.631) 14.002 18.162 ( -5.625 -12.293 2.608) 13.768 18.261 ( 0.020 -6.724 1.697) 6.935 18.617 ( 4.515 6.443 8.328) 11.457 18.677 ( -2.393 3.845 -0.965) 4.631 19.195 ( -8.994 -10.162 6.557) 15.072 19.341 ( 0.555 -9.225 8.408) 12.494 19.914 ( -0.746 9.913 -7.589) 12.506 20.056 ( 9.595 11.491 -2.934) 15.255 20.519 ( -1.846 -7.246 -8.191) 11.091 20.700 ( 1.126 -11.968 -3.423) 12.499 21.089 ( 3.582 1.646 1.639) 4.269 21.243 ( 9.537 2.985 1.511) 10.107 21.633 ( 4.295 -4.788 2.696) 6.974 21.837 ( 3.742 -2.399 -2.368) 5.037 21.992 ( -14.312 -0.325 0.977) 14.349 22.360 ( -0.391 -4.177 1.040) 4.322 22.507 ( -1.113 -9.285 -0.665) 9.375 22.681 ( 7.396 -7.646 -0.251) 10.641 23.144 ( 0.636 24.254 7.667) 25.445 23.254 ( -0.258 15.344 5.811) 16.410 23.597 ( -3.250 19.096 -10.072) 21.833 23.856 ( 9.062 14.013 -7.598) 18.336 24.139 ( -0.362 14.976 6.764) 16.436 24.434 ( -1.812 -1.716 3.475) 4.278 24.567 ( -0.424 5.486 -9.229) 10.745 24.668 ( -0.092 -1.511 -4.037) 4.311 25.848 ( 2.753 -1.162 4.739) 5.603 25.953 ( -3.113 1.784 -1.611) 3.933 26.138 ( 2.524 -5.864 3.433) 7.249 26.241 ( -0.700 -6.166 -3.186) 6.976 26.604 ( 0.972 4.861 2.655) 5.623 26.748 ( -1.796 10.828 -3.504) 11.522 27.081 ( 2.208 -4.199 8.738) 9.943 27.279 ( -6.756 0.464 -4.752) 8.273 27.691 ( -8.725 -0.490 5.315) 10.228 27.820 ( -10.120 -5.787 1.307) 11.731 27.851 ( -8.691 -12.777 7.530) 17.190 28.008 ( 3.830 -1.933 3.268) 5.393 28.517 ( 3.450 1.895 8.207) 9.102 28.651 ( 0.310 1.264 5.992) 6.132 28.705 ( 7.384 2.762 2.833) 8.377 28.946 ( 4.302 -2.707 -10.077) 11.286 29.030 ( -2.678 -0.754 -0.960) 2.943 29.177 ( -1.120 -3.345 0.358) 3.545 29.262 ( 1.147 -3.933 -4.139) 5.824 29.431 ( -0.910 -8.859 3.583) 9.599 29.762 ( -7.733 8.138 -8.736) 14.225 29.965 ( 4.425 0.027 -0.428) 4.445 30.045 ( 2.527 -0.263 0.204) 2.549 30.271 ( -2.454 0.132 -5.196) 5.748 30.440 ( 9.285 1.138 2.886) 9.790 30.503 ( 7.535 3.853 -1.429) 8.583 30.632 ( -4.950 -1.759 -0.143) 5.255 30.867 ( 12.057 -6.707 3.074) 14.135 30.956 ( 0.053 3.806 0.636) 3.859 31.010 ( 0.540 1.930 -1.540) 2.527 31.386 ( 1.250 -6.460 2.446) 7.019 31.444 ( -1.461 -5.403 -0.941) 5.676 31.901 ( 0.953 -3.390 5.285) 6.350 32.066 ( -6.134 -7.130 7.226) 11.860 32.244 ( 2.250 3.618 -2.550) 4.966 32.616 ( 3.763 -7.123 -6.472) 10.334 33.957 ( 0.957 3.170 5.944) 6.804 34.112 ( -3.050 3.496 -4.147) 6.223 34.449 ( -1.882 -11.722 2.467) 12.125 34.543 ( 0.639 -9.643 1.063) 9.722 38.561 ( 2.704 33.130 4.510) 33.545 38.789 ( -5.139 32.718 -11.501) 35.059 39.460 ( -1.356 14.682 0.484) 14.752 39.502 ( 1.234 13.658 1.062) 13.755 40.508 ( 1.016 -1.374 1.058) 2.010 40.591 ( 1.583 -2.374 -1.693) 3.318 40.833 ( -2.392 2.261 0.169) 3.296 40.964 ( -0.657 -0.275 -3.023) 3.106 41.892 ( -2.454 -7.029 2.372) 7.814 42.084 ( 0.588 -6.049 -2.306) 6.500 42.193 ( 1.661 -10.137 4.321) 11.144 42.266 ( -0.504 -6.335 0.347) 6.365 43.703 ( 4.091 0.797 0.327) 4.181 43.765 ( 3.503 2.266 -1.125) 4.321 44.231 ( -2.735 -12.241 0.453) 12.551 44.276 ( -1.444 -11.163 0.331) 11.261 45.060 ( 0.632 12.073 1.307) 12.160 45.102 ( -3.079 13.223 -3.345) 13.982 45.149 ( 1.484 13.422 2.089) 13.665 45.281 ( -1.721 12.182 -4.718) 13.177 45.550 ( -2.547 21.885 -2.815) 22.212 45.643 ( 1.739 18.773 -4.582) 19.403 46.582 ( -5.073 -3.639 0.083) 6.243 46.688 ( -9.160 -6.457 0.461) 11.216 46.953 ( -1.525 -1.369 4.007) 4.501 47.173 ( 0.396 -6.982 -2.741) 7.511 47.477 ( -4.652 -6.890 -0.449) 8.325 47.617 ( 1.579 -9.277 -0.835) 9.447 47.822 ( -6.918 -0.748 5.482) 8.858 48.054 ( -2.158 -1.122 -3.518) 4.278 48.146 ( -3.721 -3.307 -0.333) 4.989 48.387 ( 4.702 -6.260 1.432) 7.959 49.563 ( 1.931 1.313 1.507) 2.779 49.773 ( 7.270 -1.188 -1.485) 7.515 49.828 ( -0.670 -3.291 0.517) 3.398 50.010 ( 7.863 -10.196 1.344) 12.946 52.272 ( 3.579 4.946 1.258) 6.233 52.364 ( 2.452 4.712 -1.599) 5.547 52.581 ( 0.845 -3.255 1.622) 3.733 52.673 ( 1.112 -3.351 -1.691) 3.915 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -4.155 15.253 32.570) 36.203 2.820 ( 1.641 26.929 2.754) 27.119 2.922 ( 3.027 8.061 -15.120) 17.401 3.089 ( -0.256 25.549 -11.937) 28.201 3.308 ( -4.315 13.253 -6.790) 15.503 3.442 ( -2.799 3.167 2.373) 4.847 3.620 ( -9.770 15.654 10.084) 21.028 3.668 ( -5.855 24.941 2.128) 25.707 3.859 ( -0.522 0.375 7.559) 7.587 4.015 ( -6.266 -0.441 1.084) 6.374 4.096 ( 4.632 6.807 6.013) 10.195 4.213 ( 3.972 7.148 21.664) 23.156 4.429 ( -1.903 1.020 8.395) 8.668 4.524 ( -3.698 3.880 5.205) 7.472 4.654 ( -1.535 5.259 12.374) 13.532 4.707 ( -3.098 3.178 -0.651) 4.486 4.869 ( -7.337 -0.333 2.413) 7.731 5.014 ( 8.743 -4.603 -5.285) 11.205 5.181 ( -4.440 0.431 0.044) 4.461 5.247 ( 1.984 -0.501 -1.854) 2.762 5.399 ( 4.894 -3.476 -0.755) 6.050 5.467 ( 10.030 1.613 -20.776) 23.127 5.563 ( 2.680 -0.424 -5.957) 6.546 5.642 ( 10.273 -2.916 -14.120) 17.704 5.706 ( 10.282 1.345 -11.817) 15.721 5.856 ( 3.337 -3.803 -3.912) 6.395 5.901 ( 7.038 -4.277 -6.101) 10.250 6.108 ( 2.799 -11.010 -10.148) 15.233 6.748 ( -10.628 -1.743 -6.507) 12.583 6.883 ( -7.734 -2.731 -10.779) 13.544 7.062 ( -2.104 -5.461 -0.284) 5.859 7.116 ( 1.264 -6.032 2.755) 6.751 7.222 ( 3.272 -3.252 2.412) 5.206 7.368 ( -0.808 -8.383 -2.286) 8.727 7.494 ( -1.984 -5.192 5.606) 7.895 7.576 ( -1.240 -11.567 5.847) 13.020 7.850 ( -7.929 -0.463 13.455) 15.624 7.939 ( -3.503 -1.988 4.196) 5.816 8.018 ( -5.487 0.338 -8.480) 10.106 8.116 ( -7.653 -1.508 -2.715) 8.260 8.406 ( 2.944 3.935 3.778) 6.199 8.610 ( -0.163 -2.088 2.496) 3.258 8.871 ( 0.682 0.493 3.081) 3.194 9.025 ( 0.768 -2.670 3.796) 4.704 9.464 ( 3.351 10.236 0.682) 10.792 9.638 ( 0.373 4.153 2.924) 5.092 9.835 ( 5.237 6.033 0.489) 8.004 10.087 ( 5.203 -0.503 -3.493) 6.287 12.493 ( -2.023 9.149 -5.617) 10.925 12.794 ( 9.217 6.421 2.911) 11.604 13.406 ( -5.030 3.013 1.133) 5.971 13.662 ( 3.374 0.557 -2.581) 4.284 13.842 ( 5.345 -1.862 7.365) 9.289 13.908 ( 3.112 -0.655 5.236) 6.127 14.635 ( 6.213 1.310 15.016) 16.303 14.823 ( 0.343 -0.948 -14.173) 14.209 15.757 ( -10.137 -0.238 -2.768) 10.511 16.284 ( -8.248 -4.776 -8.931) 13.061 16.907 ( -5.921 3.695 -2.829) 7.531 16.974 ( -6.338 8.906 -5.391) 12.188 17.455 ( 3.022 2.629 1.545) 4.294 17.924 ( 12.976 -4.286 4.340) 14.338 18.075 ( -4.122 -8.172 -1.618) 9.294 18.273 ( -0.765 -6.586 2.157) 6.972 18.667 ( 0.887 -1.862 -1.103) 2.339 18.798 ( 2.997 5.392 7.684) 9.854 19.054 ( -8.971 -5.203 -1.455) 10.472 19.347 ( -7.647 3.268 0.168) 8.318 19.913 ( 6.033 -4.212 -0.160) 7.360 20.175 ( 5.865 7.669 0.433) 9.664 20.401 ( -0.217 -5.140 -5.697) 7.677 20.715 ( 3.507 -9.916 -0.312) 10.522 21.133 ( 1.958 -0.930 0.122) 2.171 21.468 ( 13.400 -3.017 1.671) 13.836 21.671 ( -2.729 -4.222 -2.215) 5.494 21.776 ( -9.382 -3.594 1.458) 10.152 21.931 ( 8.291 -1.926 1.138) 8.588 22.325 ( -4.115 -3.031 -0.257) 5.118 22.473 ( -2.284 -9.824 -0.530) 10.100 22.784 ( 6.129 -4.395 -1.341) 7.660 23.261 ( 0.220 20.966 9.473) 23.008 23.333 ( 2.340 18.578 3.413) 19.033 23.448 ( -0.770 20.483 -8.466) 22.177 23.901 ( 8.716 12.318 -7.825) 16.998 24.249 ( 0.390 15.558 10.864) 18.980 24.456 ( -2.618 -4.943 2.287) 6.043 24.470 ( 1.404 9.225 -5.538) 10.851 24.657 ( 1.899 -1.371 -0.179) 2.349 25.887 ( -1.461 2.736 -2.719) 4.125 25.958 ( 3.385 -1.307 4.445) 5.737 26.182 ( -0.579 -8.476 1.115) 8.568 26.197 ( 0.235 -4.927 -2.083) 5.354 26.638 ( -1.577 7.588 -0.056) 7.750 26.678 ( -1.183 9.813 -0.644) 9.905 27.082 ( -6.471 -4.845 -3.201) 8.695 27.246 ( 1.847 -1.261 5.914) 6.323 27.560 ( -9.109 -2.614 -4.181) 10.358 27.669 ( -7.732 -8.492 -1.453) 11.576 27.785 ( -10.588 -5.448 6.187) 13.419 28.072 ( 0.059 -2.057 1.424) 2.503 28.554 ( -3.504 4.475 -3.090) 6.470 28.646 ( 3.299 6.471 -2.777) 7.776 28.875 ( 2.234 4.708 4.882) 7.141 28.987 ( 5.013 -7.306 0.472) 8.873 29.029 ( 3.664 0.919 5.744) 6.875 29.178 ( -2.919 -3.794 3.164) 5.738 29.258 ( 0.743 -1.832 -0.115) 1.981 29.445 ( 0.048 -8.826 -1.228) 8.911 29.592 ( -3.175 10.651 -2.228) 11.336 29.955 ( -6.081 2.495 -1.841) 6.826 30.024 ( 3.780 -3.113 -2.584) 5.537 30.204 ( 0.867 -1.632 -6.130) 6.403 30.485 ( -4.105 0.441 -0.316) 4.141 30.643 ( 9.584 1.837 1.972) 9.956 30.693 ( 10.381 0.717 -2.412) 10.682 30.963 ( 1.485 -4.953 0.590) 5.204 31.015 ( 1.950 3.422 3.171) 5.057 31.093 ( 11.392 -3.532 -1.340) 12.002 31.415 ( 0.335 -8.084 0.514) 8.107 31.472 ( 1.960 -6.966 3.763) 8.156 31.948 ( -0.608 -4.402 1.159) 4.592 32.051 ( -8.314 -7.351 8.976) 14.273 32.239 ( 2.799 2.568 -4.398) 5.811 32.589 ( 3.653 -7.491 -6.913) 10.828 33.979 ( -3.092 3.568 -1.668) 5.007 34.058 ( -0.662 3.692 2.257) 4.378 34.435 ( -2.248 -11.659 0.807) 11.901 34.570 ( 0.871 -11.330 0.850) 11.395 38.602 ( -3.517 36.592 -6.091) 37.262 38.668 ( 2.100 33.002 4.691) 33.400 39.436 ( -1.708 13.671 -0.274) 13.780 39.530 ( 1.194 13.825 0.194) 13.878 40.535 ( 0.816 -0.961 0.900) 1.549 40.586 ( 1.504 -2.579 -2.697) 4.023 40.812 ( -1.278 2.889 1.780) 3.626 40.923 ( -1.691 -0.318 -0.884) 1.934 41.854 ( -3.184 -2.626 -0.555) 4.165 42.084 ( 0.957 -6.722 -0.172) 6.792 42.254 ( -0.061 -5.932 0.407) 5.946 42.280 ( 1.682 -11.417 2.319) 11.771 43.788 ( 6.435 -1.554 0.011) 6.620 43.823 ( 5.658 -0.492 -1.051) 5.776 44.181 ( -4.303 -11.215 0.302) 12.015 44.242 ( -3.413 -10.730 0.221) 11.262 44.990 ( -3.285 14.416 -3.212) 15.131 45.106 ( -0.155 13.291 3.018) 13.630 45.200 ( 0.976 14.434 -2.315) 14.651 45.224 ( 0.607 13.435 2.245) 13.634 45.509 ( -1.894 20.302 0.230) 20.391 45.617 ( 1.478 18.214 -3.343) 18.578 46.454 ( -11.207 -5.118 0.504) 12.331 46.564 ( -7.180 -5.364 0.691) 8.989 46.994 ( 1.018 0.769 3.298) 3.536 47.143 ( 0.598 -4.925 -2.942) 5.768 47.375 ( -7.288 -3.522 -0.470) 8.108 47.642 ( 2.083 -11.994 0.065) 12.173 47.811 ( -4.460 -5.902 4.559) 8.689 47.972 ( -1.644 -3.179 -3.340) 4.895 48.061 ( -5.671 -2.039 -1.016) 6.112 48.457 ( 1.366 -7.853 1.761) 8.163 49.622 ( 3.280 1.743 0.999) 3.846 49.838 ( 3.619 -2.089 -1.996) 4.631 49.868 ( 5.911 -1.523 -0.258) 6.110 50.109 ( 4.727 -10.301 -0.717) 11.357 52.343 ( 3.888 4.125 0.448) 5.686 52.398 ( 3.768 3.812 -0.645) 5.399 52.616 ( 1.035 -2.993 1.573) 3.536 52.674 ( 1.596 -3.138 -1.557) 3.849 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 14.600 12.139 -15.508) 24.515 2.858 ( -1.715 11.272 11.618) 16.278 2.963 ( -7.182 12.662 2.108) 14.708 3.097 ( 0.351 23.699 10.903) 26.089 3.242 ( 0.414 23.447 3.168) 23.664 3.425 ( 1.557 8.541 1.047) 8.745 3.496 ( -9.844 20.128 1.470) 22.455 3.639 ( -5.138 26.938 5.591) 27.988 3.929 ( -7.217 5.402 3.653) 9.727 3.957 ( -0.243 1.142 7.864) 7.950 4.044 ( -14.583 2.162 4.702) 15.474 4.230 ( -6.660 2.117 -0.404) 7.000 4.456 ( -5.243 3.539 0.480) 6.344 4.480 ( -2.172 -1.243 -1.151) 2.754 4.618 ( -5.935 3.912 5.289) 8.861 4.864 ( 0.482 -6.352 -2.339) 6.786 4.979 ( -1.249 5.728 -2.524) 6.383 5.060 ( 5.983 -8.440 -3.345) 10.873 5.169 ( 8.673 -2.961 3.639) 9.860 5.327 ( 2.232 -1.885 5.996) 6.670 5.422 ( 13.554 1.391 -17.417) 22.113 5.463 ( 12.501 0.494 -9.310) 15.595 5.563 ( 2.168 -0.951 -1.036) 2.584 5.633 ( 6.202 -2.748 -6.931) 9.698 5.685 ( 6.939 5.674 -9.762) 13.253 5.837 ( -2.614 -0.193 -2.404) 3.557 5.946 ( 9.686 -4.079 -10.830) 15.091 6.050 ( 3.265 -13.799 -7.170) 15.890 6.524 ( -7.267 2.007 -1.664) 7.720 6.710 ( -0.626 -3.405 -1.269) 3.687 7.040 ( -0.922 -5.655 1.093) 5.833 7.173 ( 0.928 -6.297 3.488) 7.258 7.257 ( -0.949 -8.472 -1.563) 8.667 7.341 ( -0.433 -5.613 3.239) 6.494 7.539 ( -5.407 -2.153 10.041) 11.606 7.600 ( -6.330 -10.079 8.363) 14.546 7.850 ( -6.366 0.929 4.983) 8.138 7.902 ( -0.517 -0.831 -0.800) 1.264 7.930 ( -2.072 -1.996 2.657) 3.916 8.037 ( -6.866 -2.843 5.600) 9.306 8.473 ( 2.592 3.024 -1.058) 4.121 8.611 ( -0.361 -0.879 -1.737) 1.980 8.908 ( 1.747 0.498 -0.484) 1.880 9.049 ( -1.837 -2.617 1.303) 3.453 9.529 ( 3.462 9.129 0.984) 9.813 9.669 ( -1.506 4.218 3.235) 5.525 9.902 ( 3.483 5.451 -0.687) 6.505 10.111 ( 4.571 -0.145 -5.095) 6.846 12.444 ( 1.272 9.114 -0.925) 9.249 12.935 ( 5.153 -0.499 2.324) 5.675 13.351 ( -3.676 7.926 0.352) 8.744 13.667 ( 3.874 6.276 -3.887) 8.337 13.808 ( -0.620 -0.468 -5.648) 5.701 14.149 ( 2.444 -7.113 2.536) 7.938 14.630 ( 5.920 6.566 -12.425) 15.249 14.817 ( -2.419 1.957 1.380) 3.404 15.765 ( 2.267 -5.543 15.890) 16.981 16.065 ( -13.854 -8.060 4.756) 16.719 16.821 ( -1.525 9.783 0.206) 9.903 16.870 ( -2.661 5.179 -1.593) 6.037 17.515 ( 0.426 0.404 3.111) 3.166 18.027 ( -0.107 -6.075 -1.459) 6.249 18.106 ( 6.363 -5.183 -0.067) 8.207 18.305 ( 2.439 -6.664 -0.310) 7.103 18.612 ( -3.510 -5.046 -3.349) 7.000 18.821 ( -4.015 0.243 -0.098) 4.023 18.990 ( 0.943 3.412 -2.240) 4.189 19.212 ( -5.052 9.322 -3.081) 11.041 19.966 ( 3.553 -6.494 -5.476) 9.208 20.231 ( 1.454 1.091 1.536) 2.379 20.425 ( 3.418 -4.495 3.655) 6.727 20.770 ( 1.092 -10.272 1.941) 10.511 21.147 ( 1.200 2.301 -1.843) 3.183 21.499 ( -7.098 0.615 5.138) 8.784 21.732 ( 9.542 -8.634 1.926) 13.012 21.766 ( 0.758 -13.648 2.037) 13.820 22.067 ( 6.104 -2.271 1.399) 6.661 22.232 ( -5.207 1.065 -3.148) 6.177 22.443 ( -1.535 -10.526 1.449) 10.736 22.834 ( 3.448 -2.095 -1.644) 4.356 23.330 ( 1.426 20.067 -1.372) 20.164 23.348 ( -2.613 17.399 -5.192) 18.344 23.434 ( 2.285 20.643 8.179) 22.322 23.920 ( 7.158 13.602 -9.025) 17.824 24.374 ( -1.107 3.193 1.249) 3.603 24.408 ( -1.119 13.447 7.803) 15.587 24.494 ( -0.562 1.969 3.363) 3.937 24.697 ( 0.634 -0.167 2.471) 2.556 25.843 ( 0.104 3.028 -2.778) 4.111 26.026 ( 0.781 -2.471 -0.373) 2.618 26.174 ( 0.213 -10.744 1.065) 10.798 26.208 ( 0.064 -2.758 1.683) 3.232 26.572 ( -1.717 10.937 -2.033) 11.256 26.690 ( -0.845 7.425 1.636) 7.650 26.972 ( -2.590 -3.417 -2.152) 4.798 27.315 ( -1.446 -1.752 -6.184) 6.587 27.357 ( -0.628 -2.923 -3.938) 4.944 27.557 ( -4.959 -5.826 -2.791) 8.144 27.675 ( -8.093 -6.525 0.014) 10.396 28.044 ( -1.229 -3.974 -3.937) 5.728 28.461 ( -1.625 3.938 -2.545) 4.962 28.661 ( 3.651 6.219 -5.367) 8.990 28.943 ( 0.270 6.293 6.157) 8.808 29.068 ( 2.178 -5.633 0.832) 6.097 29.128 ( -2.510 3.500 7.243) 8.426 29.200 ( 1.681 3.490 2.523) 4.623 29.270 ( -2.030 1.298 3.238) 4.036 29.412 ( -3.759 -7.186 1.313) 8.215 29.629 ( 3.949 3.233 5.711) 7.659 29.863 ( -4.922 3.217 3.425) 6.805 30.072 ( 2.827 -4.887 0.199) 5.649 30.140 ( 2.881 -3.329 -6.775) 8.081 30.444 ( -2.865 0.807 2.724) 4.035 30.722 ( 4.819 5.179 -3.950) 8.102 30.831 ( 7.389 -6.635 -1.253) 10.009 30.950 ( 1.502 -1.541 -3.869) 4.427 31.108 ( 2.196 4.131 -0.936) 4.771 31.211 ( 6.251 -4.165 0.840) 7.558 31.450 ( 0.208 -10.172 4.665) 11.192 31.552 ( 2.650 -7.373 3.125) 8.435 31.901 ( -5.572 -5.233 -0.372) 7.653 32.050 ( -5.831 -6.842 8.034) 12.057 32.218 ( 3.293 0.964 -6.789) 7.607 32.567 ( 4.693 -8.397 -6.295) 11.496 33.920 ( -0.677 4.738 -1.526) 5.023 34.066 ( -2.243 3.449 1.588) 4.410 34.412 ( -1.335 -11.322 0.214) 11.403 34.579 ( 0.226 -11.684 -0.976) 11.727 38.522 ( -0.188 38.146 -1.650) 38.182 38.737 ( -0.707 32.973 3.466) 33.163 39.408 ( -0.971 13.027 -0.503) 13.073 39.540 ( 0.770 13.749 -0.973) 13.805 40.555 ( 0.307 -0.171 1.192) 1.242 40.581 ( 1.855 -2.614 -1.848) 3.700 40.845 ( 0.587 2.517 3.954) 4.723 40.886 ( -2.997 0.646 0.687) 3.142 41.805 ( -1.351 -1.071 -0.989) 1.987 42.094 ( 0.439 -6.006 -0.342) 6.031 42.244 ( -0.230 -5.329 -1.171) 5.461 42.306 ( 0.118 -11.381 -1.469) 11.476 43.890 ( 6.640 -3.615 -0.217) 7.563 43.908 ( 6.281 -4.332 -0.314) 7.636 44.113 ( -5.066 -9.965 0.542) 11.192 44.182 ( -4.435 -9.876 0.069) 10.827 44.932 ( -1.029 14.902 -0.620) 14.951 45.127 ( -1.605 14.712 2.075) 14.944 45.183 ( 1.225 14.187 -1.435) 14.312 45.279 ( -0.465 14.949 4.162) 15.525 45.487 ( -1.227 19.154 -0.009) 19.193 45.612 ( 2.484 17.329 -2.169) 17.640 46.299 ( -9.727 -4.384 1.428) 10.765 46.478 ( -3.005 -7.075 -1.979) 7.938 47.065 ( 2.905 0.993 3.156) 4.403 47.128 ( 1.171 -2.944 -1.629) 3.562 47.256 ( -7.073 -1.945 -0.294) 7.341 47.662 ( -0.402 -12.660 -0.640) 12.682 47.775 ( -1.088 -6.301 -1.226) 6.510 47.932 ( -4.045 -9.732 0.630) 10.558 47.994 ( 0.017 1.361 0.559) 1.471 48.466 ( -1.457 -8.807 0.015) 8.927 49.677 ( 2.104 1.689 0.955) 2.862 49.873 ( 3.484 -1.770 -2.179) 4.475 49.944 ( 4.044 -1.830 0.291) 4.448 50.148 ( 2.364 -9.298 -1.320) 9.684 52.396 ( 2.486 3.585 0.321) 4.374 52.449 ( 2.603 2.785 0.152) 3.815 52.645 ( 0.166 -2.817 1.345) 3.126 52.684 ( 1.645 -2.926 -0.830) 3.458 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -26.127 14.093 3.269) 29.865 2.854 ( 19.545 17.237 -4.296) 26.412 2.973 ( -7.878 19.854 5.312) 22.010 3.204 ( -2.253 11.944 9.130) 15.201 3.362 ( 4.928 18.609 5.871) 20.126 3.402 ( 0.475 11.202 3.441) 11.729 3.586 ( 6.513 10.187 6.224) 13.599 3.644 ( -2.286 26.251 6.073) 27.041 3.864 ( -7.422 0.922 3.852) 8.413 3.955 ( -3.008 9.740 8.641) 13.363 4.066 ( 2.782 5.893 4.029) 7.662 4.160 ( -3.643 -1.422 3.761) 5.425 4.310 ( -6.887 6.080 -4.372) 10.174 4.450 ( -1.978 3.034 -3.076) 4.752 4.594 ( -8.466 2.398 0.464) 8.812 4.717 ( -4.966 2.155 -9.194) 10.669 4.816 ( -5.821 4.236 -12.204) 14.169 5.121 ( 1.030 -7.169 -4.896) 8.742 5.144 ( -3.599 -8.757 -2.682) 9.841 5.343 ( -2.791 0.256 -0.840) 2.926 5.431 ( 7.129 -5.621 -5.705) 10.722 5.461 ( 11.594 6.177 -17.931) 22.228 5.560 ( 1.180 -8.803 -2.407) 9.202 5.650 ( 9.300 4.476 -7.844) 12.964 5.698 ( 1.235 1.153 -10.448) 10.584 5.759 ( 7.160 -0.383 -3.383) 7.928 5.952 ( 6.969 -4.951 -9.868) 13.056 6.030 ( 5.802 -13.225 -8.013) 16.516 6.601 ( 7.410 1.136 10.542) 12.936 6.878 ( 8.726 -4.514 12.104) 15.589 7.076 ( 2.177 -3.135 4.024) 5.547 7.178 ( -0.199 -5.562 -3.679) 6.672 7.255 ( -0.534 -10.105 4.205) 10.958 7.400 ( 2.578 -7.168 3.273) 8.291 7.577 ( -6.012 -1.435 9.103) 11.003 7.604 ( -9.260 -6.757 11.652) 16.345 7.826 ( -8.176 0.831 8.359) 11.723 7.962 ( 5.101 -1.173 3.699) 6.409 7.970 ( -0.604 -2.431 3.511) 4.313 7.986 ( -4.063 -2.273 5.073) 6.885 8.443 ( -1.667 2.967 -4.967) 6.021 8.557 ( -1.710 -0.104 -4.181) 4.518 8.905 ( 1.393 0.339 -4.179) 4.419 9.005 ( -4.079 -2.455 -0.798) 4.827 9.582 ( 0.413 7.474 2.396) 7.859 9.667 ( -4.118 5.398 3.374) 7.581 9.920 ( 0.606 4.544 -1.619) 4.862 10.099 ( 3.184 0.103 -6.335) 7.091 12.513 ( 3.806 8.290 5.376) 10.588 13.010 ( -1.284 -4.187 3.954) 5.900 13.282 ( -2.597 11.175 -4.120) 12.190 13.654 ( 1.994 0.411 -8.323) 8.568 13.738 ( 3.413 7.157 -6.662) 10.356 13.968 ( -10.059 3.715 -12.174) 16.223 14.669 ( 0.475 -1.193 -5.618) 5.763 14.725 ( 1.725 -1.711 -2.530) 3.508 15.961 ( -7.060 -3.981 17.918) 19.666 16.221 ( 10.571 -7.936 24.086) 27.475 16.801 ( 1.403 5.295 -4.300) 6.964 16.901 ( 2.805 6.341 6.132) 9.256 17.563 ( -0.928 1.813 6.378) 6.695 17.990 ( -0.926 -12.628 -4.265) 13.361 18.118 ( -1.256 -2.400 -3.599) 4.504 18.251 ( -3.778 -3.487 -6.871) 8.582 18.615 ( 6.320 -5.031 1.536) 8.223 18.736 ( -4.637 3.366 -2.871) 6.410 18.927 ( -2.105 0.066 -6.081) 6.435 19.122 ( 2.132 5.400 -9.081) 10.778 19.959 ( 2.365 1.639 0.015) 2.877 20.240 ( -1.086 2.596 -1.651) 3.262 20.538 ( 2.649 -9.813 6.358) 11.989 20.760 ( -3.752 -11.690 -0.312) 12.282 21.184 ( 3.792 2.420 3.457) 5.673 21.554 ( -0.324 2.317 10.733) 10.985 21.782 ( -3.769 -10.862 -2.817) 11.837 21.822 ( -0.042 -13.089 4.608) 13.876 22.112 ( -2.627 -11.211 -0.482) 11.524 22.151 ( 3.288 8.295 -3.439) 9.563 22.471 ( 0.368 -10.376 4.315) 11.243 22.855 ( 1.546 -4.379 -1.858) 5.001 23.220 ( -5.167 17.463 -4.990) 18.883 23.310 ( 0.707 20.248 -3.993) 20.650 23.564 ( 1.081 18.861 7.327) 20.263 23.906 ( 6.191 15.988 -8.489) 19.131 24.349 ( 0.097 -1.253 -0.766) 1.472 24.473 ( -7.219 15.103 9.189) 19.096 24.563 ( 0.738 2.790 7.665) 8.190 24.720 ( -1.931 0.992 3.006) 3.708 25.824 ( 1.816 2.787 -2.635) 4.244 25.969 ( -2.226 -4.077 -5.550) 7.237 26.202 ( -1.097 -6.904 2.775) 7.521 26.240 ( 1.501 -2.557 2.140) 3.656 26.572 ( 2.905 8.762 0.307) 9.236 26.681 ( -1.669 7.589 0.744) 7.806 26.952 ( 2.355 0.285 -1.939) 3.064 27.120 ( 0.720 0.490 -15.576) 15.600 27.380 ( -2.082 3.855 -6.242) 7.626 27.444 ( 0.798 -5.008 -0.390) 5.086 27.594 ( -1.323 -14.641 -0.502) 14.709 27.957 ( 0.488 -5.303 -8.297) 9.858 28.457 ( 2.302 4.523 -0.005) 5.075 28.607 ( 0.658 5.420 -7.992) 9.678 28.994 ( -6.852 5.627 4.197) 9.809 29.084 ( 0.912 0.030 -1.179) 1.491 29.173 ( 0.344 -0.970 7.124) 7.198 29.262 ( -4.945 2.948 6.875) 8.967 29.301 ( 6.429 5.013 1.323) 8.259 29.389 ( -6.016 -4.907 9.392) 12.185 29.790 ( 5.236 -1.352 6.222) 8.243 29.875 ( -4.690 0.389 6.388) 7.935 30.080 ( 2.246 -2.511 0.614) 3.425 30.191 ( 5.426 -3.472 1.033) 6.524 30.466 ( 0.070 0.651 4.079) 4.131 30.715 ( 2.765 4.266 -6.792) 8.484 30.825 ( -1.578 -10.627 -6.113) 12.361 30.933 ( -0.690 0.772 -2.729) 2.919 31.066 ( -2.513 5.857 -0.426) 6.387 31.291 ( 5.883 -2.560 -4.466) 7.817 31.515 ( -3.857 -10.660 9.152) 14.570 31.595 ( -3.415 -9.512 2.081) 10.318 31.814 ( -2.860 -5.296 -0.413) 6.033 32.055 ( -5.425 -7.341 6.083) 10.970 32.173 ( 3.761 2.439 -8.580) 9.680 32.584 ( 6.356 -10.508 -4.944) 13.239 33.931 ( 1.931 4.294 1.079) 4.830 34.031 ( -2.251 4.132 -0.929) 4.796 34.403 ( -0.339 -10.462 0.370) 10.474 34.552 ( -0.426 -10.675 -2.926) 11.077 38.559 ( 4.038 37.937 2.763) 38.251 38.719 ( -4.236 33.462 -0.077) 33.729 39.402 ( 0.514 13.423 0.086) 13.433 39.528 ( 0.126 13.945 -2.058) 14.097 40.574 ( -0.721 -0.658 1.866) 2.106 40.602 ( 2.476 -2.840 -0.224) 3.774 40.851 ( -3.527 1.249 2.356) 4.421 40.911 ( 1.101 2.975 3.780) 4.935 41.800 ( 1.378 -1.329 0.428) 1.962 42.085 ( -0.025 -6.197 -1.752) 6.440 42.221 ( 0.175 -4.995 -2.257) 5.484 42.248 ( -1.564 -10.104 -5.136) 11.442 43.961 ( 1.309 -4.490 0.046) 4.678 43.974 ( 0.092 -7.020 -0.176) 7.023 44.065 ( -0.265 -9.269 1.234) 9.355 44.130 ( -0.766 -9.344 -0.331) 9.381 44.946 ( 1.894 15.107 1.832) 15.335 45.105 ( -2.465 14.951 -0.228) 15.155 45.200 ( 1.055 14.736 0.703) 14.791 45.305 ( -2.014 15.661 3.211) 16.113 45.475 ( -0.244 18.529 0.411) 18.535 45.645 ( 4.635 17.124 -0.990) 17.767 46.202 ( -4.674 -3.725 0.459) 5.995 46.432 ( 1.436 -7.669 -3.178) 8.425 47.103 ( -5.163 -0.926 0.608) 5.280 47.145 ( 2.366 -0.812 1.552) 2.943 47.209 ( 3.054 -0.986 1.416) 3.507 47.606 ( -0.779 -8.049 -5.055) 9.536 47.765 ( -1.330 -10.178 0.096) 10.265 47.896 ( 2.261 -4.765 -1.756) 5.559 48.047 ( 0.612 -5.772 5.571) 8.045 48.425 ( -1.400 -8.783 -2.598) 9.265 49.703 ( -0.586 1.501 1.253) 2.041 49.873 ( 0.493 -0.977 -2.793) 3.000 49.998 ( 1.063 -3.043 1.653) 3.622 50.153 ( 0.678 -9.022 -1.719) 9.209 52.426 ( 0.296 2.836 0.893) 2.988 52.468 ( -0.161 2.775 -0.133) 2.783 52.652 ( -1.254 -2.850 1.125) 3.311 52.701 ( 1.137 -2.992 0.034) 3.201 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -30.752 18.152 8.599) 36.731 2.676 ( -24.619 22.784 -8.472) 34.598 3.122 ( 15.896 22.951 -0.925) 27.934 3.269 ( -10.167 -6.469 4.828) 12.982 3.367 ( 2.332 18.017 5.933) 19.112 3.648 ( -6.689 14.675 5.718) 17.111 3.698 ( 5.402 9.776 13.104) 17.218 3.726 ( -9.914 7.591 -10.492) 16.309 3.770 ( 7.290 8.708 7.523) 13.622 3.983 ( -8.370 21.077 -2.228) 22.787 4.104 ( -8.923 6.058 8.555) 13.766 4.184 ( 1.664 5.505 -2.226) 6.167 4.243 ( -9.346 -0.827 5.334) 10.793 4.313 ( 8.337 8.227 0.338) 11.718 4.392 ( -0.314 4.337 -3.809) 5.780 4.554 ( 0.908 8.324 -3.704) 9.156 4.731 ( 2.019 1.973 -0.865) 2.953 4.997 ( 1.981 -2.187 -5.813) 6.519 5.211 ( 6.833 -5.358 -3.745) 9.457 5.293 ( -4.078 -5.322 3.067) 7.373 5.419 ( 2.564 -4.009 -7.079) 8.530 5.432 ( 1.486 -1.073 -8.380) 8.578 5.568 ( 0.536 -6.736 2.986) 7.387 5.665 ( 11.005 -2.627 -12.341) 16.743 5.739 ( 16.844 3.962 -11.258) 20.644 5.831 ( 6.243 -7.808 -3.139) 10.478 5.912 ( 5.533 -3.918 -8.929) 11.211 6.070 ( 16.471 -6.547 -8.644) 19.720 6.841 ( 6.312 -4.533 8.355) 11.410 7.062 ( 3.624 -7.487 0.048) 8.318 7.103 ( -0.690 -4.528 -2.241) 5.099 7.253 ( 1.248 -5.941 3.237) 6.879 7.288 ( 1.127 -4.658 7.556) 8.948 7.475 ( -3.736 -3.138 1.583) 5.129 7.547 ( -0.249 -4.858 1.936) 5.235 7.602 ( -7.945 -4.174 9.207) 12.858 7.815 ( -13.113 -0.642 13.171) 18.596 7.908 ( -4.312 -4.178 4.750) 7.656 8.121 ( 5.605 -0.890 4.409) 7.187 8.140 ( 8.891 -1.103 4.999) 10.260 8.327 ( -4.091 4.178 -3.954) 7.058 8.475 ( -3.432 0.221 -1.368) 3.702 8.850 ( 0.405 0.580 -6.481) 6.520 8.915 ( -5.449 -2.362 -1.486) 6.122 9.593 ( -4.691 6.821 4.423) 9.386 9.632 ( -5.188 6.748 2.815) 8.965 9.874 ( -2.812 3.956 -3.259) 5.846 10.062 ( 2.138 -0.123 -5.803) 6.185 12.672 ( 3.119 6.544 10.094) 12.427 12.902 ( -13.153 6.787 -3.772) 15.274 13.243 ( 5.321 -0.972 -3.550) 6.471 13.540 ( -1.600 -3.264 -13.265) 13.754 13.634 ( -5.784 14.065 -6.161) 16.408 13.796 ( 1.513 8.989 -1.160) 9.189 14.536 ( -7.611 -3.949 -0.737) 8.606 14.791 ( 8.404 -7.147 -3.102) 11.460 16.148 ( 0.015 1.134 19.365) 19.398 16.646 ( 6.159 -3.882 13.514) 15.350 16.817 ( 8.753 -0.108 -0.444) 8.765 17.035 ( 6.361 1.031 2.370) 6.866 17.656 ( -1.917 3.478 12.308) 12.933 17.878 ( -6.437 -9.831 -5.801) 13.105 18.022 ( -2.627 -6.004 -4.699) 8.064 18.127 ( 1.291 -1.634 -6.224) 6.563 18.620 ( -4.958 4.895 -2.736) 7.486 18.702 ( -2.122 -1.371 -2.738) 3.726 18.845 ( 6.631 -6.661 -4.298) 10.335 19.064 ( 6.213 1.018 -10.203) 11.989 20.045 ( 1.997 8.195 6.840) 10.859 20.156 ( -3.440 6.501 -5.296) 9.063 20.662 ( 0.930 -9.864 5.696) 11.428 20.692 ( 0.347 -14.168 -1.003) 14.208 21.302 ( -1.405 -2.650 9.693) 10.147 21.539 ( -10.794 -1.568 -8.266) 13.685 21.742 ( 3.708 3.140 8.004) 9.363 21.875 ( -3.809 -9.592 6.665) 12.286 22.033 ( -5.721 -13.473 -1.270) 14.693 22.175 ( 5.378 2.023 -4.399) 7.236 22.544 ( 0.087 -9.674 5.747) 11.252 22.808 ( -2.112 -8.640 -5.315) 10.361 23.109 ( -3.397 20.019 -1.310) 20.347 23.255 ( -2.100 18.862 -2.763) 19.179 23.628 ( 0.594 15.298 1.415) 15.375 23.929 ( 6.940 16.831 -4.211) 18.687 24.328 ( -6.930 -1.615 2.685) 7.605 24.468 ( -4.761 11.361 7.503) 14.423 24.664 ( 0.879 3.363 6.426) 7.306 24.751 ( -0.255 3.466 7.314) 8.097 25.821 ( 1.305 0.451 -4.445) 4.655 25.857 ( -2.021 -1.939 -4.816) 5.571 26.199 ( -1.763 -2.572 0.134) 3.121 26.295 ( 0.917 -3.990 3.073) 5.119 26.612 ( 0.521 3.788 -0.068) 3.824 26.709 ( 3.319 11.013 3.231) 11.948 26.898 ( 4.663 3.948 -17.289) 18.337 27.018 ( 4.259 5.268 -7.276) 9.941 27.248 ( -3.567 0.738 -1.506) 3.942 27.524 ( 7.649 -3.047 0.424) 8.244 27.614 ( 3.269 -14.648 0.313) 15.011 27.875 ( 3.307 -7.606 -9.262) 12.433 28.493 ( 0.017 5.187 -4.389) 6.795 28.514 ( 1.444 3.750 -2.568) 4.769 28.856 ( -10.627 7.085 -0.580) 12.785 29.065 ( -1.276 0.002 -0.883) 1.552 29.240 ( -0.620 -4.527 0.645) 4.615 29.336 ( -1.398 0.197 14.161) 14.231 29.431 ( -1.323 -5.165 10.637) 11.899 29.492 ( 7.052 7.486 5.976) 11.895 29.786 ( -9.217 -6.887 1.423) 11.593 29.930 ( 4.212 0.645 -0.717) 4.321 30.173 ( -0.021 0.695 7.410) 7.442 30.285 ( 3.952 -2.707 2.706) 5.501 30.525 ( 2.410 0.393 -0.554) 2.504 30.640 ( 0.937 1.669 -10.174) 10.352 30.669 ( -9.942 -6.814 -0.890) 12.085 30.869 ( -2.789 -1.825 -0.567) 3.381 31.046 ( -1.638 6.311 0.331) 6.528 31.264 ( 1.239 -3.946 -9.906) 10.734 31.484 ( -13.262 -13.301 7.532) 20.237 31.560 ( -4.879 -1.787 6.867) 8.612 31.815 ( 2.541 -8.217 -2.031) 8.837 32.022 ( -6.586 -8.108 4.251) 11.277 32.148 ( 5.723 5.064 -7.045) 10.394 32.623 ( 5.867 -11.295 -4.563) 13.521 33.931 ( -3.018 3.770 -1.522) 5.063 34.043 ( 4.548 4.309 1.412) 6.423 34.405 ( -0.400 -9.742 0.461) 9.762 34.509 ( 0.246 -8.636 -2.917) 9.118 38.617 ( -4.819 33.653 -2.071) 34.059 38.720 ( 8.374 36.039 5.773) 37.447 39.417 ( 0.633 14.232 0.308) 14.249 39.495 ( -0.437 14.247 -2.807) 14.528 40.566 ( -2.502 -1.628 0.721) 3.071 40.638 ( 1.306 -2.856 0.418) 3.168 40.842 ( -2.372 2.381 3.359) 4.752 40.968 ( 1.435 2.920 2.587) 4.157 41.849 ( 1.654 -3.963 2.275) 4.860 42.051 ( 1.223 -6.716 -4.592) 8.227 42.163 ( -1.277 -8.506 -3.309) 9.216 42.205 ( 1.059 -4.739 -2.011) 5.256 43.905 ( -6.811 -6.417 -0.037) 9.358 43.920 ( -5.106 -2.600 -0.027) 5.730 44.127 ( 4.173 -10.462 1.056) 11.313 44.163 ( 4.347 -10.048 -0.566) 10.963 45.023 ( 3.086 14.659 2.146) 15.133 45.067 ( -0.231 14.580 -0.256) 14.584 45.204 ( -2.428 14.536 0.810) 14.760 45.313 ( -0.291 15.013 1.287) 15.071 45.506 ( 2.276 19.067 2.481) 19.362 45.741 ( 7.709 17.561 2.350) 19.322 46.153 ( 0.417 -2.643 -4.117) 4.910 46.447 ( 4.719 -6.440 -2.161) 8.272 47.020 ( -5.757 0.109 0.764) 5.809 47.188 ( 1.514 -2.635 0.700) 3.119 47.327 ( 6.312 -1.300 3.904) 7.534 47.549 ( 3.300 -5.694 -6.457) 9.220 47.725 ( -3.431 -8.718 0.221) 9.372 47.950 ( 6.845 -3.836 -2.054) 8.111 48.142 ( 0.864 -9.647 7.896) 12.496 48.368 ( -0.177 -8.355 -4.527) 9.504 49.689 ( -3.652 1.275 1.687) 4.220 49.825 ( -1.815 -0.097 -2.989) 3.498 50.008 ( -2.891 -4.308 2.121) 5.605 50.117 ( -1.903 -9.383 -3.151) 10.080 52.416 ( -3.166 2.005 0.647) 3.803 52.455 ( -1.310 3.356 0.268) 3.612 52.634 ( -2.689 -3.061 0.848) 4.161 52.713 ( 0.139 -3.195 0.188) 3.204 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -32.367 21.919 20.395) 44.091 2.032 ( -35.846 18.195 -18.244) 44.145 2.965 ( -20.657 3.832 -10.017) 23.276 3.235 ( -10.666 -11.151 8.359) 17.549 3.331 ( -16.548 33.943 0.044) 37.762 3.478 ( 3.385 26.304 -1.509) 26.564 3.650 ( 2.794 16.218 -0.196) 16.458 3.754 ( -1.814 21.021 -0.542) 21.106 3.847 ( 1.146 13.930 3.970) 14.530 4.093 ( 8.208 3.700 9.715) 13.245 4.163 ( -3.603 0.623 6.451) 7.415 4.228 ( 3.842 3.237 17.221) 17.939 4.280 ( -4.667 13.154 4.492) 14.663 4.433 ( 12.831 0.875 0.970) 12.897 4.524 ( 7.979 5.514 -3.672) 10.370 4.641 ( 6.741 3.575 3.247) 8.292 4.815 ( 10.507 2.717 2.742) 11.194 4.997 ( 4.772 -1.786 -5.033) 7.162 5.198 ( -0.289 -0.504 -7.995) 8.016 5.292 ( -0.268 -3.568 -2.901) 4.607 5.340 ( 5.343 -4.932 -4.663) 8.638 5.400 ( 3.107 0.803 -5.282) 6.181 5.571 ( -0.798 -2.245 -11.846) 12.083 5.648 ( 0.910 -8.366 5.820) 10.231 5.783 ( 3.108 -12.248 -6.354) 14.144 5.854 ( 2.186 -15.851 -2.118) 16.141 6.061 ( 23.502 6.781 -6.559) 25.325 6.323 ( 25.050 0.232 -7.033) 26.020 6.977 ( 4.265 -3.891 -6.738) 8.873 7.029 ( 2.865 -5.824 -1.293) 6.618 7.089 ( -2.505 -7.016 0.165) 7.452 7.198 ( -6.081 -2.834 -9.835) 11.905 7.253 ( -1.033 -6.530 -0.312) 6.618 7.489 ( -7.560 -8.424 -1.589) 11.430 7.517 ( -2.007 0.014 9.593) 9.801 7.651 ( -3.116 -5.271 5.671) 8.346 7.756 ( -5.666 -1.649 4.654) 7.516 7.935 ( -5.439 -5.225 6.826) 10.172 8.149 ( -3.595 2.944 2.067) 5.086 8.302 ( 2.862 -1.808 4.636) 5.741 8.330 ( 3.036 2.569 3.114) 5.051 8.463 ( -0.145 0.646 3.867) 3.923 8.778 ( -1.997 -0.459 -2.287) 3.070 8.822 ( -3.340 -1.490 -1.150) 3.834 9.557 ( -7.378 8.905 5.308) 12.724 9.581 ( -5.964 6.003 3.018) 8.984 9.766 ( -3.902 4.354 -4.967) 7.672 10.029 ( 1.557 -0.864 -3.841) 4.234 12.595 ( -10.716 11.176 -7.677) 17.282 12.864 ( 0.036 5.526 11.216) 12.503 13.235 ( -7.054 -3.440 -7.366) 10.764 13.356 ( 2.578 1.667 -1.236) 3.310 13.582 ( 1.735 12.357 -1.302) 12.546 13.835 ( 2.097 7.124 1.771) 7.634 14.430 ( -6.504 -8.694 0.475) 10.868 14.914 ( 10.151 -7.335 -0.300) 12.528 16.374 ( 2.410 4.790 11.757) 12.922 16.724 ( 5.113 2.635 -5.229) 7.774 16.969 ( 3.303 -2.319 -0.074) 4.037 17.115 ( 5.138 -5.549 -5.875) 9.576 17.706 ( -8.486 -1.480 0.312) 8.620 17.794 ( -1.893 -2.093 11.544) 11.884 17.956 ( 1.818 -8.292 -2.433) 8.830 18.153 ( 5.491 -6.208 -1.308) 8.390 18.526 ( -4.720 4.968 0.388) 6.864 18.621 ( 0.940 -1.314 -2.266) 2.783 18.918 ( 3.996 -6.539 -2.007) 7.922 19.076 ( 7.923 -0.028 -4.601) 9.162 20.028 ( -1.521 10.081 -6.250) 11.959 20.161 ( 1.163 10.423 5.010) 11.623 20.639 ( 1.037 -11.887 -2.351) 12.162 20.816 ( 2.540 -12.879 6.036) 14.448 21.216 ( -12.266 3.719 -5.971) 14.140 21.384 ( -7.095 -3.679 7.516) 10.971 21.752 ( -11.531 -10.643 -1.361) 15.751 21.930 ( 3.086 7.483 6.060) 10.111 21.981 ( -1.862 -13.236 2.233) 13.551 22.205 ( 6.226 -1.212 -4.343) 7.687 22.569 ( -3.817 -6.787 1.067) 7.859 22.710 ( -2.068 -9.597 -2.697) 10.181 23.070 ( -2.039 19.159 0.632) 19.277 23.202 ( -3.432 16.861 1.733) 17.294 23.646 ( 3.034 12.832 -2.063) 13.346 23.984 ( 6.603 14.674 -4.645) 16.748 24.202 ( -10.736 7.658 1.133) 13.236 24.486 ( -4.501 -1.336 5.089) 6.924 24.740 ( 1.810 0.840 1.819) 2.700 24.950 ( 4.241 3.444 18.876) 19.651 25.704 ( -2.681 -0.065 -8.581) 8.990 25.813 ( -1.273 -1.875 -2.897) 3.678 26.152 ( -3.042 2.066 -0.929) 3.793 26.329 ( -0.430 -5.393 1.245) 5.552 26.622 ( -0.285 1.233 0.752) 1.472 26.759 ( 2.653 8.822 -4.222) 10.134 26.842 ( 9.290 10.340 -5.098) 14.805 26.971 ( 3.013 5.818 -6.384) 9.148 27.281 ( 5.736 4.101 2.254) 7.402 27.673 ( 3.418 -12.680 0.315) 13.137 27.686 ( 9.316 -3.009 3.166) 10.289 27.838 ( 5.640 -9.853 -7.060) 13.369 28.382 ( -5.348 3.651 -2.295) 6.870 28.552 ( 2.173 1.599 -0.307) 2.716 28.726 ( -6.307 8.023 1.698) 10.346 29.031 ( -2.022 -0.605 -0.184) 2.119 29.235 ( -0.682 -5.726 0.458) 5.785 29.454 ( -2.563 -2.049 6.086) 6.914 29.491 ( -8.345 -5.416 8.502) 13.086 29.642 ( -6.555 -7.624 8.100) 12.911 29.719 ( 10.191 6.392 -1.858) 12.172 29.872 ( -3.195 -1.152 -9.165) 9.774 30.200 ( -8.997 -1.880 5.059) 10.492 30.349 ( 0.149 -3.318 -4.372) 5.490 30.394 ( -4.866 0.834 -1.717) 5.227 30.535 ( -1.598 2.312 -2.244) 3.597 30.665 ( 0.913 -4.391 2.295) 5.038 30.819 ( -3.180 -4.575 -2.920) 6.291 30.999 ( -3.740 5.580 -0.331) 6.725 31.124 ( -4.417 -0.302 -3.651) 5.738 31.416 ( -6.082 -5.685 4.672) 9.547 31.580 ( -4.472 2.387 8.333) 9.754 31.786 ( -1.765 -11.114 -3.897) 11.909 32.000 ( -2.887 -7.320 4.488) 9.059 32.163 ( 5.596 5.347 -4.895) 9.158 32.643 ( 4.489 -9.727 -4.966) 11.808 33.858 ( -2.793 4.722 -1.837) 5.786 34.141 ( 4.657 3.055 1.720) 5.829 34.398 ( -0.715 -10.037 0.254) 10.066 34.499 ( 1.084 -6.553 -0.624) 6.671 38.520 ( -3.577 33.748 -2.155) 34.005 38.961 ( 12.167 30.729 5.679) 33.534 39.410 ( -0.912 12.318 -1.676) 12.465 39.460 ( -0.165 16.234 -1.178) 16.277 40.526 ( -2.614 -1.898 -0.296) 3.244 40.633 ( -1.647 -0.976 -0.770) 2.064 40.857 ( -0.767 2.078 2.688) 3.483 41.019 ( 1.924 2.641 1.051) 3.432 41.863 ( -1.356 -9.564 -0.001) 9.660 42.041 ( 2.394 -6.084 -1.960) 6.825 42.153 ( 1.819 -7.091 1.259) 7.428 42.204 ( 1.461 -4.299 -1.437) 4.763 43.792 ( -7.097 -3.430 -0.272) 7.887 43.838 ( -4.887 0.011 -0.385) 4.902 44.195 ( 3.008 -11.888 0.971) 12.301 44.219 ( 3.657 -10.571 -0.584) 11.201 45.017 ( 0.029 12.736 -1.764) 12.858 45.155 ( 1.179 15.089 1.046) 15.171 45.164 ( 0.446 13.481 2.709) 13.758 45.311 ( -0.919 13.504 -0.473) 13.543 45.588 ( 3.953 19.416 1.448) 19.867 45.987 ( 10.026 12.008 14.967) 21.650 46.095 ( 9.776 2.868 -16.193) 19.131 46.513 ( 5.616 -4.274 -0.528) 7.078 46.955 ( -4.226 0.656 1.080) 4.411 47.205 ( 0.525 -4.280 -0.428) 4.334 47.470 ( 5.617 -5.928 2.704) 8.603 47.564 ( 6.321 -2.972 -2.451) 7.402 47.680 ( -1.955 -4.682 -0.055) 5.074 48.038 ( 6.964 -2.646 -1.090) 7.528 48.241 ( 0.522 -10.718 3.401) 11.257 48.325 ( 0.343 -8.788 -0.711) 8.824 49.637 ( -5.888 0.834 2.002) 6.275 49.754 ( -2.348 0.322 -2.935) 3.773 49.953 ( -6.991 -6.430 -0.282) 9.503 50.016 ( -5.032 -7.085 -2.791) 9.127 52.355 ( -5.434 1.921 0.441) 5.780 52.428 ( -2.568 3.683 0.069) 4.491 52.596 ( -3.126 -3.255 0.583) 4.551 52.710 ( -0.470 -3.360 -0.195) 3.398 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -24.558 23.369 5.003) 34.267 1.855 ( -27.441 24.608 32.863) 49.382 2.624 ( -11.451 0.591 1.464) 11.559 3.095 ( -12.861 33.718 5.890) 36.565 3.229 ( -9.340 -9.536 15.345) 20.338 3.515 ( -0.455 27.297 -0.645) 27.308 3.683 ( 3.501 24.957 -6.638) 26.061 3.766 ( 1.365 18.003 3.346) 18.362 3.941 ( 3.498 15.210 4.924) 16.366 4.137 ( -3.461 4.335 1.207) 5.677 4.235 ( -1.716 8.162 6.147) 10.361 4.298 ( -1.906 7.456 1.104) 7.774 4.479 ( 3.608 0.631 0.396) 3.684 4.526 ( 0.328 -0.569 -3.081) 3.150 4.598 ( 3.377 0.522 5.005) 6.060 4.802 ( 9.257 3.934 -0.832) 10.092 4.986 ( 6.305 0.954 -1.557) 6.565 5.028 ( 3.770 -0.552 -1.334) 4.037 5.074 ( 5.203 -1.851 -5.310) 7.661 5.289 ( -3.324 0.791 -1.877) 3.898 5.323 ( 6.730 0.919 -5.118) 8.505 5.403 ( -1.224 -6.198 -0.316) 6.326 5.466 ( 5.792 2.315 -6.995) 9.372 5.721 ( 2.881 -12.842 -1.675) 13.267 5.749 ( 0.193 -10.288 -0.298) 10.294 5.869 ( 1.158 -18.689 0.132) 18.725 6.275 ( 15.904 7.283 -15.034) 23.065 6.524 ( 17.202 1.219 -16.394) 23.795 6.882 ( 6.078 0.462 -9.766) 11.512 6.995 ( 0.778 -2.718 -10.493) 10.868 7.055 ( -1.482 -5.264 -0.677) 5.510 7.121 ( 2.627 -6.834 1.848) 7.551 7.267 ( 0.760 -10.221 1.534) 10.363 7.347 ( -6.261 -9.472 -3.046) 11.756 7.527 ( -6.656 -0.825 4.145) 7.885 7.630 ( -4.199 -5.010 2.642) 7.051 7.744 ( -2.482 -1.020 2.040) 3.371 7.924 ( -2.178 -3.646 3.759) 5.671 8.140 ( -7.824 3.612 8.831) 12.339 8.354 ( -1.379 -1.571 3.613) 4.174 8.417 ( 0.248 0.474 6.127) 6.150 8.492 ( 1.465 1.060 -2.190) 2.841 8.740 ( -5.113 -2.448 5.624) 7.985 8.816 ( 1.229 -0.801 1.474) 2.080 9.494 ( -6.470 9.560 2.104) 11.734 9.550 ( -5.835 6.369 6.832) 11.013 9.665 ( -0.765 5.212 -4.212) 6.745 10.016 ( 1.750 -1.357 -2.515) 3.351 12.413 ( -3.286 13.152 -2.975) 13.879 12.939 ( -3.750 5.518 -0.361) 6.681 13.057 ( -4.119 0.971 2.806) 5.078 13.447 ( 1.669 -0.638 6.150) 6.405 13.623 ( 2.330 7.472 2.665) 8.268 13.892 ( 0.149 8.046 4.391) 9.167 14.332 ( -4.346 -11.641 -3.391) 12.880 15.054 ( 7.595 -8.858 -1.713) 11.793 16.470 ( 4.369 4.275 -5.050) 7.929 16.722 ( 2.710 3.614 -7.731) 8.954 16.899 ( -4.416 7.852 -2.954) 9.481 17.123 ( 8.631 -10.290 -5.950) 14.689 17.622 ( -4.972 2.063 0.179) 5.386 17.808 ( -7.013 -5.359 2.402) 9.147 18.011 ( 4.492 -8.537 0.843) 9.683 18.216 ( 3.077 -9.700 0.286) 10.180 18.492 ( -3.613 3.403 3.476) 6.059 18.699 ( 4.155 -5.091 6.854) 9.495 18.943 ( 1.598 -4.227 0.088) 4.520 19.176 ( 6.450 -0.009 2.366) 6.870 19.976 ( 6.191 11.169 -7.915) 15.024 20.177 ( -3.105 11.262 -1.216) 11.745 20.647 ( 3.573 -10.380 -2.961) 11.370 20.808 ( -3.915 -3.002 -4.501) 6.678 21.054 ( -7.869 -4.891 4.080) 10.124 21.332 ( -9.273 2.763 3.697) 10.358 21.542 ( -9.342 -11.680 -0.642) 14.970 21.941 ( -2.898 -0.639 -2.242) 3.719 22.042 ( 2.695 -2.077 4.405) 5.566 22.269 ( 5.817 -1.411 -1.701) 6.222 22.499 ( -3.065 -3.095 -0.297) 4.366 22.667 ( -1.869 -11.220 -0.851) 11.406 23.054 ( -1.404 19.624 1.315) 19.718 23.192 ( -3.885 14.805 5.254) 16.183 23.680 ( 5.431 11.777 -3.016) 13.315 23.990 ( 2.513 12.278 -8.394) 15.083 24.083 ( -6.245 13.812 3.588) 15.577 24.462 ( -4.216 -4.071 2.593) 6.408 24.758 ( 0.861 0.115 -2.207) 2.371 25.079 ( -4.074 -1.904 -10.993) 11.877 25.690 ( 2.720 -0.677 15.411) 15.664 25.762 ( -2.067 -2.566 0.366) 3.315 26.103 ( -2.109 4.190 -0.951) 4.787 26.317 ( -0.668 -5.813 -1.208) 5.975 26.591 ( 0.696 1.993 -4.195) 4.696 26.798 ( 1.215 9.465 1.335) 9.635 26.882 ( -1.956 -1.931 4.121) 4.953 27.156 ( 23.142 10.114 6.020) 25.963 27.407 ( 6.400 4.823 0.705) 8.045 27.722 ( 1.417 -10.867 1.727) 11.094 27.805 ( 5.370 -3.116 -1.854) 6.480 27.907 ( 5.737 -9.226 1.705) 10.997 28.307 ( -4.913 2.676 3.993) 6.873 28.544 ( -4.460 -3.066 0.920) 5.490 28.697 ( -2.770 8.369 3.555) 9.506 29.008 ( -0.578 -0.018 -0.076) 0.583 29.201 ( -5.895 -6.466 -1.343) 8.852 29.325 ( -11.526 -7.484 1.282) 13.802 29.429 ( -5.695 1.008 -0.009) 5.783 29.637 ( -2.244 0.635 -10.551) 10.806 29.749 ( -1.247 -4.811 5.464) 7.386 29.811 ( 0.143 -1.959 1.843) 2.694 30.047 ( -6.954 3.041 2.994) 8.159 30.365 ( 0.553 -2.108 -5.103) 5.549 30.384 ( 5.626 3.624 4.629) 8.137 30.490 ( -0.780 1.554 -3.162) 3.609 30.585 ( -6.151 -1.898 -5.774) 8.647 30.771 ( -3.562 -2.806 4.076) 6.097 30.979 ( -0.278 3.671 0.856) 3.780 31.055 ( -0.867 4.536 -2.617) 5.308 31.387 ( -3.330 -3.263 1.851) 5.016 31.603 ( -4.712 3.448 2.586) 6.386 31.722 ( -1.227 -9.469 2.314) 9.825 32.027 ( -2.038 -7.926 5.246) 9.721 32.195 ( 4.677 5.130 -2.763) 7.471 32.643 ( 3.893 -7.855 -5.326) 10.258 33.822 ( -0.730 5.242 1.098) 5.406 34.206 ( 2.109 2.377 -0.188) 3.183 34.401 ( -0.222 -10.493 1.678) 10.628 34.514 ( 0.484 -6.465 0.726) 6.523 38.468 ( -1.006 33.763 -0.228) 33.778 39.137 ( 7.066 24.265 -6.771) 26.164 39.392 ( 0.502 10.658 2.885) 11.053 39.455 ( -0.172 17.136 0.326) 17.140 40.492 ( -1.245 -1.638 -0.113) 2.061 40.591 ( -1.461 0.673 -0.899) 1.843 40.873 ( -0.950 1.935 1.607) 2.689 41.039 ( 1.650 1.534 -2.423) 3.309 41.850 ( -1.075 -11.760 1.790) 11.944 42.058 ( 0.677 -8.127 1.319) 8.261 42.184 ( 1.089 -5.718 -2.434) 6.309 42.233 ( 1.793 -4.666 2.163) 5.446 43.698 ( -4.449 0.181 -0.117) 4.454 43.772 ( -2.642 2.382 -0.636) 3.614 44.239 ( 1.182 -12.684 0.813) 12.764 44.259 ( 2.209 -10.794 -0.262) 11.021 45.008 ( 1.168 11.812 -1.044) 11.916 45.120 ( -1.602 13.088 -0.111) 13.186 45.256 ( 1.796 14.869 -0.500) 14.986 45.282 ( -1.015 12.081 1.961) 12.281 45.643 ( 2.769 19.292 -0.909) 19.511 45.940 ( -1.194 4.717 -14.094) 14.911 46.462 ( 25.037 1.212 6.236) 25.831 46.587 ( 3.610 -2.430 0.392) 4.369 46.919 ( -2.673 0.611 1.811) 3.287 47.201 ( 0.823 -6.091 -1.533) 6.334 47.537 ( 2.075 -11.435 -0.695) 11.642 47.601 ( -0.361 -8.185 -0.512) 8.209 47.757 ( 8.634 7.182 4.095) 11.954 48.121 ( 4.016 -1.580 -0.752) 4.381 48.239 ( 2.993 -8.325 -3.445) 9.494 48.323 ( -8.113 -9.102 4.291) 12.926 49.570 ( -5.532 0.420 2.023) 5.905 49.694 ( -0.611 -0.162 -2.495) 2.574 49.804 ( -6.560 -4.622 -1.234) 8.119 49.937 ( -4.867 -4.252 1.176) 6.569 52.269 ( -5.914 3.428 0.716) 6.873 52.387 ( -1.730 4.782 -0.816) 5.150 52.563 ( -2.043 -3.383 0.810) 4.034 52.697 ( -0.368 -3.477 -0.827) 3.593 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 13.241 19.986 26.015) 35.377 2.422 ( -1.814 1.656 24.227) 24.352 2.511 ( -2.004 4.406 29.283) 29.680 2.941 ( -10.882 -20.630 28.584) 36.892 3.793 ( -2.825 13.633 5.258) 14.882 3.910 ( -4.480 1.505 -3.467) 5.862 4.050 ( -2.160 17.572 -2.893) 17.939 4.086 ( -7.850 6.526 -14.895) 18.057 4.135 ( -7.243 9.326 -13.424) 17.879 4.249 ( -0.699 11.396 -3.485) 11.938 4.333 ( -2.406 5.216 -1.904) 6.051 4.441 ( -2.214 16.060 1.382) 16.271 4.546 ( 4.430 2.877 -1.855) 5.598 4.568 ( -2.811 14.199 2.849) 14.752 4.633 ( -2.504 2.385 3.859) 5.182 4.848 ( 0.039 -6.295 -1.974) 6.597 4.973 ( 4.921 -6.216 0.256) 7.932 5.046 ( -1.359 -2.854 0.594) 3.216 5.131 ( 0.438 0.355 0.980) 1.131 5.221 ( 0.004 -4.689 -1.687) 4.984 5.295 ( 0.531 -4.386 0.803) 4.490 5.387 ( 3.941 -9.272 4.669) 11.105 5.426 ( 4.238 -5.010 -0.814) 6.612 5.506 ( 4.531 -8.993 -1.218) 10.144 5.549 ( 4.884 1.508 -5.455) 7.476 5.616 ( 1.224 -5.938 -0.231) 6.068 6.311 ( 8.022 9.220 -30.959) 33.284 6.454 ( 8.016 -3.146 -26.353) 27.725 6.904 ( 1.779 -1.881 -2.233) 3.419 6.920 ( -0.446 -4.287 -0.793) 4.383 6.987 ( 6.420 1.941 -1.493) 6.871 7.042 ( 2.138 -4.002 -0.487) 4.563 7.067 ( 5.501 -3.329 -2.361) 6.850 7.115 ( 3.806 -8.554 1.466) 9.476 7.433 ( -7.783 0.622 -1.182) 7.897 7.479 ( -6.093 -3.921 -0.747) 7.284 7.770 ( -3.802 3.277 6.672) 8.349 7.862 ( -4.704 -4.900 7.921) 10.435 8.240 ( -1.732 4.761 3.455) 6.132 8.319 ( -1.260 -2.704 1.255) 3.236 8.464 ( -2.628 0.806 1.504) 3.133 8.481 ( -1.293 -0.408 0.181) 1.367 8.762 ( -2.155 1.429 7.279) 7.725 8.812 ( -0.978 -2.805 5.463) 6.219 9.599 ( -1.546 5.079 0.507) 5.333 9.641 ( -0.662 1.103 0.978) 1.616 9.812 ( 1.820 7.815 1.352) 8.137 9.954 ( 2.079 -5.125 -0.550) 5.558 12.705 ( 3.491 12.056 0.853) 12.580 12.872 ( -1.165 -1.742 -3.693) 4.247 13.223 ( 0.283 4.968 10.345) 11.480 13.405 ( -2.724 -9.630 6.782) 12.090 13.727 ( 0.582 8.344 -2.310) 8.677 13.964 ( 0.639 -12.550 -5.474) 13.707 14.362 ( -1.984 21.252 8.073) 22.821 14.783 ( -1.526 -17.378 1.033) 17.475 16.494 ( 1.006 8.019 -15.413) 17.404 16.625 ( 3.098 -1.677 -17.385) 17.738 17.034 ( 1.683 -2.844 1.175) 3.507 17.064 ( 0.106 -0.829 1.229) 1.486 17.595 ( -3.190 3.738 -1.634) 5.179 17.674 ( -2.519 1.834 -0.319) 3.132 17.957 ( -0.974 -3.570 6.433) 7.422 18.047 ( 2.676 -8.343 2.201) 9.034 18.594 ( 3.154 5.706 6.019) 8.873 18.753 ( 4.813 -8.647 11.393) 15.091 18.928 ( -4.143 6.107 -1.254) 7.485 19.119 ( -3.415 -10.129 2.295) 10.933 20.188 ( 6.767 7.630 -7.264) 12.521 20.270 ( 0.795 4.192 -4.822) 6.439 20.454 ( -2.673 -3.147 -5.848) 7.159 20.557 ( -6.025 -8.341 -3.997) 11.038 21.095 ( 2.888 7.055 3.700) 8.474 21.252 ( -0.678 -6.429 0.780) 6.511 21.496 ( 0.735 8.143 2.749) 8.626 21.713 ( -1.432 -10.525 -1.562) 10.736 22.185 ( -2.454 7.077 1.715) 7.684 22.350 ( -0.188 2.068 -1.397) 2.503 22.364 ( -0.966 -7.417 -0.049) 7.480 22.445 ( 3.455 -5.457 -0.855) 6.515 23.482 ( 0.732 13.596 4.940) 14.484 23.507 ( -2.662 9.941 5.848) 11.837 23.866 ( 0.237 5.473 -0.074) 5.479 24.013 ( 1.981 -4.789 -4.210) 6.677 24.342 ( 2.161 8.297 -0.218) 8.576 24.408 ( -0.772 1.021 1.201) 1.755 24.725 ( -2.400 1.818 -5.599) 6.358 24.793 ( -4.916 -2.907 -10.219) 11.707 25.758 ( 1.209 1.167 4.559) 4.859 25.824 ( 2.416 -4.834 8.259) 9.870 26.122 ( 0.060 2.706 -4.376) 5.145 26.185 ( 0.168 -3.703 -3.597) 5.165 26.680 ( -1.224 6.181 5.638) 8.455 26.814 ( -1.592 -5.767 8.234) 10.177 27.103 ( 0.238 13.699 -1.692) 13.805 27.369 ( -0.561 -9.016 -5.239) 10.443 27.601 ( 7.891 1.627 5.338) 9.665 27.658 ( 0.339 1.246 3.917) 4.124 27.755 ( 0.765 -7.236 2.047) 7.559 27.805 ( 0.165 -5.637 4.183) 7.021 28.391 ( 0.856 1.471 7.598) 7.787 28.423 ( -0.539 -1.939 6.054) 6.380 28.918 ( -3.237 10.830 3.407) 11.805 29.031 ( 1.677 1.724 -3.733) 4.440 29.059 ( -1.047 -1.025 -1.458) 2.068 29.126 ( -4.634 -6.792 3.242) 8.839 29.313 ( -4.726 -1.423 -5.998) 7.767 29.330 ( -5.972 -3.365 -12.813) 14.531 29.827 ( 5.424 0.563 4.935) 7.354 29.856 ( 3.570 -1.914 6.427) 7.598 30.141 ( 0.012 6.831 -3.693) 7.765 30.268 ( 2.581 -4.470 -3.407) 6.185 30.474 ( 1.119 2.400 -2.207) 3.447 30.521 ( 2.012 -0.021 0.810) 2.169 30.568 ( 2.428 1.767 0.581) 3.058 30.655 ( -3.355 -4.282 -0.341) 5.450 31.078 ( -0.750 6.056 -1.248) 6.229 31.121 ( 0.147 3.064 -2.161) 3.752 31.304 ( -0.322 -0.943 -3.138) 3.293 31.388 ( -1.275 -7.380 -4.960) 8.983 31.806 ( -2.478 3.008 9.097) 9.896 31.907 ( -3.716 -6.224 7.555) 10.470 32.338 ( 3.610 5.982 -3.810) 7.958 32.479 ( 3.708 -7.205 -5.101) 9.575 33.999 ( 0.297 7.923 3.836) 8.808 34.192 ( -0.571 -9.649 2.494) 9.982 34.272 ( -0.497 3.710 -1.493) 4.030 34.382 ( -0.027 -6.155 -1.058) 6.246 39.135 ( 0.226 24.783 1.935) 24.859 39.397 ( -1.512 4.091 -4.488) 6.259 39.642 ( 1.977 7.661 0.925) 7.966 39.718 ( 0.550 4.746 -1.167) 4.919 40.496 ( 0.055 3.019 0.605) 3.080 40.572 ( -0.191 -1.585 -0.797) 1.784 40.887 ( -1.212 1.132 -0.348) 1.695 40.968 ( -1.443 -4.652 -2.508) 5.478 41.743 ( 0.125 1.324 4.319) 4.519 41.897 ( 0.468 -10.485 3.802) 11.163 42.069 ( 0.482 -0.115 -4.069) 4.099 42.139 ( 0.638 -5.743 -1.606) 5.998 43.763 ( -0.288 7.529 0.828) 7.580 43.851 ( 0.540 6.474 -0.720) 6.536 43.984 ( -0.884 -11.560 1.249) 11.661 44.046 ( 0.284 -10.395 0.061) 10.399 45.242 ( 1.079 7.545 0.717) 7.655 45.298 ( 0.622 3.026 0.765) 3.182 45.423 ( -2.331 7.896 -3.504) 8.947 45.494 ( -1.495 2.097 -2.213) 3.396 46.043 ( 0.849 16.924 -3.224) 17.250 46.074 ( 0.118 19.536 -1.367) 19.584 46.444 ( 1.696 -16.596 1.083) 16.717 46.472 ( -0.340 -13.791 0.041) 13.795 47.006 ( -0.187 8.300 1.080) 8.372 47.156 ( 0.214 3.757 -1.467) 4.039 47.260 ( -0.301 -10.166 0.553) 10.186 47.403 ( 0.581 -11.984 -2.209) 12.200 47.991 ( -3.024 5.450 0.553) 6.257 48.080 ( -1.637 -2.439 -1.070) 3.126 48.155 ( -1.017 -0.521 0.815) 1.404 48.193 ( 3.678 -3.686 0.488) 5.230 49.571 ( -0.536 2.729 2.032) 3.445 49.651 ( 1.956 -4.397 1.676) 5.096 49.745 ( 0.646 1.471 0.150) 1.614 49.811 ( -0.045 -4.081 -0.359) 4.097 52.349 ( -0.338 5.802 1.292) 5.954 52.455 ( 0.040 -1.654 -0.166) 1.663 52.490 ( -0.114 2.278 0.118) 2.284 52.593 ( 0.251 -4.859 -1.275) 5.029 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.908 16.102 28.695) 32.917 2.801 ( 7.055 5.653 28.701) 30.091 2.982 ( 11.750 -0.672 28.098) 30.464 3.264 ( 5.942 -16.678 31.968) 36.543 3.521 ( -11.333 4.254 -27.548) 30.090 3.600 ( -12.820 -2.661 -25.048) 28.264 3.819 ( -3.417 10.883 1.843) 11.555 3.956 ( -7.339 -2.848 3.127) 8.470 4.100 ( 4.642 26.282 -4.155) 27.010 4.222 ( -1.434 17.260 3.136) 17.601 4.352 ( 0.593 9.202 1.044) 9.280 4.426 ( -1.599 14.966 4.164) 15.617 4.532 ( -0.530 4.193 -3.887) 5.742 4.573 ( -3.253 14.975 5.722) 16.358 4.656 ( -1.807 -2.127 5.150) 5.857 4.825 ( -0.110 -6.667 -2.451) 7.104 4.912 ( -7.299 -1.682 -2.309) 7.838 5.017 ( -5.103 -2.410 -0.839) 5.706 5.157 ( -3.544 1.490 1.455) 4.111 5.172 ( -1.608 -7.361 5.231) 9.172 5.293 ( -0.565 -4.765 -0.310) 4.808 5.479 ( 2.903 -14.999 3.260) 15.621 5.492 ( -1.154 -2.163 -3.442) 4.226 5.515 ( 2.301 -2.979 -2.679) 4.620 5.616 ( 12.367 -0.717 -2.756) 12.690 5.666 ( 7.509 -4.785 -1.793) 9.083 6.031 ( 10.025 9.941 -34.221) 37.019 6.203 ( 6.107 -4.711 -29.263) 30.262 6.856 ( -4.159 -2.233 -1.762) 5.039 6.899 ( -1.226 -5.836 -0.779) 6.014 7.040 ( 2.610 1.146 -2.449) 3.758 7.078 ( 4.616 -1.631 0.025) 4.895 7.142 ( -1.429 -1.684 -7.497) 7.815 7.204 ( 7.145 -4.985 -0.281) 8.717 7.324 ( -2.491 -2.677 4.150) 5.531 7.359 ( -5.000 -5.419 -0.725) 7.409 7.806 ( -5.733 2.483 10.688) 12.380 7.878 ( -7.040 -3.798 9.709) 12.580 8.220 ( -2.482 2.198 -5.827) 6.704 8.254 ( -5.286 -1.120 -4.489) 7.025 8.434 ( -2.124 3.526 3.874) 5.653 8.502 ( 0.032 -2.748 4.740) 5.479 8.833 ( -0.145 1.746 6.413) 6.648 8.885 ( 1.114 -2.888 5.685) 6.473 9.603 ( 1.263 5.926 0.336) 6.068 9.659 ( 1.325 0.589 0.796) 1.655 9.879 ( 4.251 6.495 1.339) 7.877 9.995 ( 4.037 -4.159 -0.673) 5.835 12.782 ( 0.602 6.317 -1.177) 6.454 12.803 ( 1.253 5.174 -2.352) 5.821 13.397 ( 3.465 -1.471 11.514) 12.114 13.450 ( 0.204 -4.455 6.231) 7.663 13.735 ( 4.222 6.796 -1.904) 8.224 13.914 ( 2.803 -7.781 -7.230) 10.985 14.478 ( 0.726 13.404 13.038) 18.713 14.768 ( -1.973 -12.381 1.909) 12.682 16.211 ( -10.133 10.945 -15.771) 21.707 16.421 ( -3.235 -6.772 -17.560) 19.097 17.022 ( -1.492 1.532 -0.292) 2.158 17.123 ( 2.820 -6.208 -0.848) 6.871 17.542 ( -2.727 7.439 0.499) 7.939 17.679 ( 2.567 -1.051 1.760) 3.285 17.987 ( -1.533 -0.379 3.138) 3.512 18.114 ( 2.409 -7.714 1.741) 8.267 18.762 ( 2.669 7.143 7.843) 10.939 18.813 ( -3.582 8.729 -2.371) 9.729 18.960 ( -2.485 -9.922 9.881) 14.222 19.079 ( 0.618 -13.497 3.835) 14.045 20.135 ( -2.314 9.957 -8.427) 13.249 20.257 ( 5.366 6.417 -2.820) 8.827 20.353 ( -1.772 -6.531 -5.949) 9.011 20.467 ( 1.223 -9.749 -1.536) 9.945 21.172 ( 1.095 6.128 0.405) 6.239 21.294 ( 6.015 -2.284 0.293) 6.441 21.550 ( 0.518 1.640 1.514) 2.291 21.690 ( 1.600 -8.641 -0.759) 8.821 22.103 ( -8.661 7.939 -0.013) 11.749 22.281 ( -3.951 -8.095 -0.184) 9.009 22.402 ( 2.591 3.286 -0.088) 4.186 22.526 ( 6.852 -7.042 0.415) 9.834 23.546 ( -1.645 11.794 6.764) 13.695 23.577 ( 1.571 10.950 6.065) 12.616 23.856 ( 0.502 7.381 -2.609) 7.844 24.001 ( 4.472 -2.525 -5.504) 7.528 24.399 ( 2.065 8.178 3.736) 9.225 24.437 ( 1.111 4.040 2.612) 4.938 24.619 ( -1.305 -1.998 -6.242) 6.683 24.623 ( -0.574 -1.526 -8.621) 8.774 25.847 ( 1.811 1.755 5.478) 6.031 25.924 ( -0.349 -4.538 4.572) 6.451 26.075 ( 1.498 1.142 -4.853) 5.206 26.136 ( 0.476 -4.018 -4.826) 6.298 26.744 ( -0.888 7.646 6.713) 10.213 26.887 ( -0.979 -3.507 5.549) 6.637 27.079 ( -2.297 9.256 0.190) 9.538 27.273 ( -2.586 -4.105 -4.942) 6.926 27.569 ( -10.221 -4.144 0.763) 11.055 27.648 ( -9.609 -8.259 -1.759) 12.792 27.788 ( -1.607 4.169 9.648) 10.633 27.918 ( 2.743 -6.643 5.865) 9.276 28.571 ( 8.156 2.616 9.039) 12.453 28.613 ( 10.484 -1.695 9.569) 14.295 28.875 ( -2.111 8.487 -6.412) 10.845 28.929 ( -1.014 0.885 -9.333) 9.430 29.007 ( -0.803 -0.643 -3.964) 4.095 29.130 ( -1.639 -8.289 2.340) 8.767 29.167 ( -2.572 2.287 1.330) 3.690 29.263 ( -1.231 -6.422 2.472) 6.990 29.903 ( 0.144 4.273 -3.278) 5.388 29.956 ( 2.795 -1.300 -0.014) 3.083 30.094 ( 2.752 5.604 -5.251) 8.158 30.227 ( -0.087 -5.061 -6.659) 8.365 30.483 ( 1.908 3.255 2.030) 4.285 30.561 ( -4.280 -3.160 0.003) 5.320 30.602 ( 8.303 4.016 1.518) 9.347 30.715 ( 7.682 -6.452 2.094) 10.248 31.065 ( 0.906 5.475 -0.675) 5.591 31.094 ( 0.413 3.476 -2.415) 4.253 31.284 ( 1.157 -2.834 -0.617) 3.123 31.324 ( 0.433 -5.492 -3.577) 6.568 31.867 ( -3.212 0.633 7.499) 8.183 31.931 ( -5.647 -5.118 7.612) 10.772 32.336 ( 2.813 5.159 -4.445) 7.368 32.464 ( 3.093 -6.842 -5.731) 9.446 34.057 ( -0.120 6.275 4.544) 7.749 34.194 ( -1.411 -0.159 -0.830) 1.645 34.245 ( -1.545 -3.173 1.003) 3.669 34.362 ( -0.401 -7.676 -1.267) 7.790 39.182 ( 1.784 22.333 3.121) 22.620 39.322 ( -0.768 13.071 -4.618) 13.884 39.662 ( -0.617 4.209 0.151) 4.256 39.702 ( -0.175 3.562 -1.483) 3.862 40.512 ( 0.510 2.151 1.163) 2.498 40.563 ( 0.324 -1.212 -1.049) 1.635 40.863 ( -1.321 0.883 -0.252) 1.609 40.919 ( -0.521 -3.678 -2.401) 4.423 41.815 ( 1.432 1.537 4.664) 5.116 41.959 ( 0.970 -10.194 2.979) 10.665 42.021 ( 0.289 0.617 -2.778) 2.860 42.118 ( 0.127 -7.044 -2.195) 7.379 43.779 ( 0.775 6.468 0.941) 6.582 43.855 ( 1.331 6.011 -0.931) 6.227 43.979 ( -1.817 -10.667 1.181) 10.885 44.044 ( -0.634 -10.216 0.075) 10.236 45.282 ( 1.739 7.709 1.945) 8.138 45.328 ( -0.654 5.512 -0.308) 5.560 45.353 ( 1.069 6.275 -1.246) 6.486 45.428 ( -1.038 1.203 -4.330) 4.613 45.999 ( -3.102 20.032 -0.977) 20.294 46.042 ( -1.316 18.383 -2.119) 18.552 46.409 ( -5.611 -13.591 -0.302) 14.707 46.445 ( -4.521 -15.300 1.025) 15.987 47.027 ( 0.600 7.995 1.777) 8.212 47.141 ( 0.862 4.572 -2.176) 5.136 47.268 ( -0.408 -10.443 0.957) 10.494 47.377 ( 0.231 -12.481 -2.491) 12.729 47.878 ( -10.461 4.885 1.231) 11.611 47.988 ( -7.972 -4.925 -1.271) 9.457 48.153 ( -0.649 3.508 0.457) 3.596 48.257 ( 2.426 -5.833 1.361) 6.463 49.618 ( 3.092 4.001 1.568) 5.294 49.723 ( 4.410 -5.083 0.239) 6.734 49.782 ( 3.655 0.900 0.141) 3.767 49.844 ( 4.631 -5.170 -0.041) 6.941 52.383 ( 2.229 5.322 1.421) 5.943 52.463 ( 1.978 2.399 -1.200) 3.332 52.506 ( 1.165 -1.688 1.139) 2.346 52.587 ( 1.310 -4.676 -1.552) 5.097 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -4.594 11.190 24.181) 27.038 2.978 ( -1.566 2.285 -16.228) 16.463 3.153 ( -4.692 -0.369 10.455) 11.466 3.169 ( -6.553 -2.616 -14.384) 16.021 3.545 ( 8.717 10.901 20.947) 25.171 3.749 ( 4.354 -4.793 20.132) 21.147 3.770 ( 2.481 7.682 -1.359) 8.187 3.868 ( -3.031 -3.046 -1.553) 4.569 4.078 ( -0.445 20.418 -3.149) 20.664 4.246 ( -2.131 22.004 -1.473) 22.156 4.362 ( 0.946 0.106 -1.552) 1.821 4.372 ( -6.764 16.755 1.161) 18.106 4.476 ( -7.116 -0.117 2.658) 7.597 4.657 ( -1.653 -2.021 4.582) 5.274 4.723 ( -8.060 9.659 2.534) 12.833 4.760 ( 1.636 -0.114 9.311) 9.454 4.827 ( -1.596 -8.270 -2.596) 8.814 4.893 ( -4.601 -1.949 -0.476) 5.019 5.162 ( 1.836 1.343 6.051) 6.464 5.234 ( -1.718 -7.186 3.417) 8.140 5.284 ( -0.514 0.600 1.431) 1.634 5.438 ( 1.144 0.469 -1.659) 2.069 5.462 ( -0.940 -5.199 -3.736) 6.470 5.605 ( 3.769 -14.313 8.399) 17.018 5.734 ( 10.892 1.863 -8.204) 13.763 5.779 ( 12.850 1.721 -10.033) 16.393 5.832 ( 14.831 3.234 -25.165) 29.389 5.974 ( 8.687 -4.991 -24.700) 26.654 6.734 ( -7.505 1.300 -4.225) 8.710 6.812 ( -7.096 -4.699 -6.290) 10.583 6.980 ( -1.886 -0.480 -5.425) 5.764 7.013 ( -0.090 -3.036 -3.139) 4.368 7.149 ( 4.113 -3.113 -0.764) 5.215 7.184 ( -0.280 -6.673 -3.862) 7.716 7.402 ( -2.725 -3.216 10.583) 11.391 7.411 ( -1.043 -2.790 9.176) 9.648 7.860 ( -5.208 1.288 11.302) 12.511 7.897 ( -5.152 -2.047 8.031) 9.759 8.038 ( -7.347 1.554 -7.769) 10.805 8.077 ( -7.922 -1.995 -4.877) 9.514 8.494 ( 2.317 3.984 2.955) 5.475 8.564 ( 1.488 -2.598 2.265) 3.754 8.903 ( 0.707 2.370 3.756) 4.497 8.963 ( 0.645 -3.086 3.952) 5.056 9.640 ( 2.704 5.734 0.289) 6.347 9.694 ( 1.738 0.471 0.905) 2.015 9.959 ( 4.734 5.360 -0.038) 7.152 10.050 ( 4.798 -3.107 -1.839) 6.005 12.696 ( -2.498 9.188 -3.416) 10.115 12.837 ( 0.950 -2.941 -0.374) 3.113 13.514 ( 2.489 6.368 3.915) 7.878 13.628 ( 6.819 -3.745 6.426) 10.090 13.821 ( 6.764 0.742 -0.169) 6.807 13.871 ( 3.544 -2.941 -5.025) 6.816 14.692 ( 4.228 4.056 13.102) 14.352 14.779 ( 1.124 -3.426 0.592) 3.654 15.867 ( -12.399 9.851 -8.845) 18.139 16.109 ( -12.420 -11.289 -10.800) 19.958 16.998 ( -0.494 5.894 -1.100) 6.016 17.094 ( -3.046 -0.133 -2.229) 3.777 17.534 ( -0.182 6.512 1.219) 6.628 17.746 ( 0.044 -11.720 3.303) 12.177 18.033 ( 4.255 4.433 1.483) 6.321 18.157 ( 2.229 -5.611 -0.090) 6.039 18.685 ( -3.644 4.066 -3.588) 6.533 18.809 ( -4.982 -5.536 -1.149) 7.536 19.034 ( 3.140 5.478 6.974) 9.407 19.223 ( 1.571 -10.735 7.030) 12.927 20.007 ( -0.553 9.767 -6.353) 11.664 20.209 ( -1.086 -7.466 -6.476) 9.942 20.363 ( 2.615 5.103 2.543) 6.273 20.514 ( 1.952 -8.675 2.494) 9.235 21.195 ( 3.588 6.592 -0.537) 7.525 21.379 ( 5.246 -8.864 -1.197) 10.370 21.554 ( 1.301 1.975 -1.221) 2.662 21.683 ( -3.777 -7.465 -0.891) 8.414 22.010 ( -3.112 8.939 2.162) 9.709 22.229 ( -3.412 -10.734 0.976) 11.305 22.428 ( 1.415 8.354 -0.806) 8.511 22.630 ( 5.736 -9.300 -0.314) 10.931 23.620 ( 0.118 11.910 6.816) 13.723 23.668 ( 1.219 9.162 4.784) 10.407 23.820 ( 1.735 12.533 -5.757) 13.900 24.015 ( 5.850 -3.558 -5.216) 8.608 24.422 ( -3.659 5.181 0.405) 6.356 24.497 ( 2.716 6.231 -0.459) 6.812 24.574 ( 3.861 -0.592 -1.092) 4.056 24.603 ( 1.557 -2.791 3.805) 4.969 25.917 ( 0.010 0.621 0.105) 0.630 25.956 ( 0.863 -0.701 4.058) 4.208 26.032 ( -0.263 -1.644 -4.445) 4.746 26.101 ( 1.427 -4.913 -2.419) 5.659 26.799 ( -1.758 7.764 4.651) 9.220 26.906 ( -0.970 3.552 0.968) 3.808 27.017 ( -6.398 4.924 0.636) 8.099 27.225 ( 0.439 -4.099 0.382) 4.141 27.402 ( -9.621 -7.396 -1.425) 12.219 27.453 ( -8.713 -7.202 -5.683) 12.653 27.838 ( -4.391 6.040 5.218) 9.110 27.979 ( -1.730 -6.311 2.242) 6.918 28.659 ( -2.222 5.282 -6.697) 8.814 28.756 ( 3.144 -0.921 -11.368) 11.830 28.870 ( 6.245 1.474 10.405) 12.224 28.979 ( 3.653 -4.251 4.587) 7.242 28.998 ( 6.368 5.465 6.688) 10.731 29.124 ( 0.290 -3.508 1.247) 3.734 29.209 ( -2.495 -0.482 7.320) 7.749 29.281 ( 0.529 -5.770 0.434) 5.810 29.825 ( -0.995 10.050 -4.549) 11.076 29.959 ( 0.288 -2.747 -1.262) 3.036 30.022 ( -2.981 3.035 -5.625) 7.052 30.127 ( -1.627 -5.660 -7.361) 9.427 30.507 ( -1.593 2.115 -0.151) 2.652 30.585 ( 4.932 -4.919 0.855) 7.018 30.759 ( 9.887 3.899 -0.829) 10.661 30.842 ( 6.942 -4.601 0.730) 8.360 31.092 ( 1.454 3.234 2.403) 4.284 31.109 ( 5.216 2.065 -1.533) 5.816 31.296 ( 1.523 -2.368 -1.560) 3.219 31.339 ( 2.104 -5.294 2.278) 6.135 31.886 ( -4.555 -0.854 4.963) 6.790 31.922 ( -7.593 -4.245 7.922) 11.765 32.317 ( 2.828 4.571 -5.643) 7.793 32.435 ( 3.023 -6.640 -6.410) 9.711 34.078 ( -2.329 5.695 0.961) 6.228 34.164 ( -0.361 5.343 0.166) 5.358 34.233 ( -2.375 -6.601 1.131) 7.105 34.349 ( 0.083 -9.449 -0.334) 9.456 39.261 ( 2.167 21.611 2.241) 21.835 39.266 ( 0.507 20.536 -1.710) 20.613 39.620 ( -2.824 2.799 -1.912) 4.412 39.687 ( -0.247 -1.007 -0.707) 1.255 40.534 ( 0.632 0.525 0.567) 0.998 40.556 ( 0.395 -0.571 -0.585) 0.908 40.846 ( -1.070 1.543 0.905) 2.084 40.901 ( 0.061 -1.969 0.151) 1.976 41.875 ( 0.410 4.418 1.258) 4.611 41.964 ( 0.878 -3.317 -0.818) 3.527 42.052 ( 1.754 -7.535 1.968) 7.983 42.097 ( 0.788 -8.160 -2.190) 8.485 43.808 ( 1.545 3.849 0.864) 4.236 43.868 ( 1.987 4.366 -1.075) 4.916 43.958 ( -2.482 -8.766 0.940) 9.159 44.028 ( -1.526 -9.109 -0.065) 9.236 45.260 ( -1.169 10.008 -3.036) 10.524 45.350 ( 0.964 6.277 2.285) 6.749 45.376 ( 1.218 3.507 -2.112) 4.271 45.423 ( 2.470 3.569 3.538) 5.600 45.929 ( -4.023 18.016 -1.051) 18.490 45.988 ( -2.253 16.114 -1.912) 16.382 46.295 ( -8.235 -10.179 0.032) 13.093 46.367 ( -6.270 -12.996 0.418) 14.436 47.066 ( 1.251 6.673 2.219) 7.143 47.132 ( 1.684 4.566 -2.270) 5.370 47.256 ( -2.560 -7.316 0.400) 7.761 47.360 ( 1.137 -13.272 -1.609) 13.417 47.752 ( -8.733 0.999 2.705) 9.197 47.838 ( -8.872 -6.409 -0.764) 10.971 48.134 ( -1.823 6.231 -0.479) 6.510 48.288 ( -0.150 -7.954 0.676) 7.984 49.687 ( 3.591 4.362 0.816) 5.709 49.781 ( 3.983 -3.643 -0.727) 5.446 49.854 ( 5.552 0.566 -0.653) 5.619 49.921 ( 4.813 -6.492 -0.273) 8.087 52.439 ( 2.661 4.612 0.996) 5.417 52.486 ( 2.952 3.632 -1.154) 4.820 52.545 ( 1.439 -3.101 1.393) 3.692 52.594 ( 1.939 -4.246 -1.345) 4.858 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 11.425 5.929 -11.447) 17.225 2.956 ( 5.912 -3.383 -3.716) 7.759 3.111 ( -11.109 7.187 13.667) 19.023 3.224 ( -10.320 -2.260 14.316) 17.792 3.645 ( -3.449 9.324 3.776) 10.634 3.780 ( -1.348 0.836 1.080) 1.919 3.896 ( 4.941 15.579 -0.572) 16.354 3.992 ( 0.721 10.679 5.082) 11.849 4.090 ( -1.928 4.595 8.369) 9.740 4.147 ( -5.294 15.539 -2.955) 16.680 4.228 ( -5.266 8.833 1.678) 10.419 4.285 ( -11.310 10.113 1.425) 15.239 4.476 ( 0.631 3.763 1.038) 3.954 4.604 ( -5.661 7.301 -2.531) 9.579 4.640 ( -3.625 -2.092 2.007) 4.641 4.766 ( -2.600 -4.026 2.591) 5.448 4.822 ( 2.042 -10.182 -1.214) 10.455 4.927 ( -1.838 -13.521 4.099) 14.247 5.165 ( -3.114 8.258 -5.352) 10.321 5.248 ( 2.052 -6.659 -1.492) 7.126 5.319 ( 0.074 -8.610 1.250) 8.701 5.379 ( -1.574 -7.554 -5.203) 9.307 5.607 ( 10.065 8.228 6.418) 14.498 5.730 ( 14.826 5.448 -20.514) 25.891 5.775 ( -0.553 -4.408 5.883) 7.372 5.785 ( 12.449 4.263 -14.043) 19.244 5.853 ( 9.173 -4.151 -10.242) 14.363 5.887 ( 10.873 -3.449 -14.446) 18.407 6.569 ( -5.418 2.141 -1.043) 5.918 6.628 ( -2.970 -3.723 -2.494) 5.376 6.954 ( 0.735 -1.748 0.858) 2.082 7.003 ( 0.810 -6.800 0.942) 6.912 7.141 ( 1.200 -2.206 -4.156) 4.856 7.189 ( 2.603 -6.613 -1.808) 7.333 7.476 ( -7.896 -1.506 15.061) 17.072 7.491 ( -5.975 -2.017 12.710) 14.188 7.879 ( -3.443 0.602 -0.423) 3.521 7.885 ( -1.515 -0.578 -0.269) 1.644 7.912 ( -4.998 1.393 7.171) 8.851 7.971 ( -6.921 -3.254 5.630) 9.497 8.540 ( 1.896 2.946 -1.460) 3.795 8.588 ( 1.088 -1.554 -1.837) 2.640 8.938 ( 0.079 2.159 0.789) 2.300 8.991 ( -1.304 -2.733 1.362) 3.320 9.683 ( 2.029 4.918 0.575) 5.351 9.727 ( 0.660 0.679 1.249) 1.568 10.012 ( 3.342 4.601 -1.637) 5.917 10.086 ( 3.885 -2.327 -3.412) 5.670 12.653 ( -0.082 10.040 0.208) 10.043 12.843 ( -0.097 -7.333 1.501) 7.486 13.563 ( 2.273 10.242 -2.814) 10.862 13.739 ( 1.812 -5.995 -4.931) 7.971 13.819 ( 4.728 7.846 -0.947) 9.209 13.989 ( 4.835 -7.984 2.571) 9.682 14.764 ( 1.846 5.212 -7.804) 9.564 14.830 ( -0.477 -1.046 -1.338) 1.764 15.736 ( -3.058 3.023 11.389) 12.174 15.874 ( -10.765 -8.982 6.301) 15.371 16.986 ( -0.444 6.170 0.318) 6.194 17.018 ( -3.385 5.015 -1.032) 6.138 17.550 ( 0.112 4.089 1.748) 4.448 17.749 ( -2.013 -14.019 0.301) 14.166 18.116 ( 3.958 2.150 -0.236) 4.510 18.185 ( 2.606 -4.477 -1.719) 5.458 18.600 ( -1.647 4.413 -2.545) 5.354 18.744 ( -0.668 -6.948 -1.747) 7.195 19.093 ( -0.287 6.234 -2.939) 6.898 19.236 ( -2.632 -5.744 -3.348) 7.150 19.987 ( 2.445 7.737 0.550) 8.133 20.170 ( 1.629 -7.227 0.435) 7.421 20.403 ( -0.945 3.348 1.763) 3.900 20.548 ( -1.546 -9.616 1.752) 9.896 21.261 ( 3.456 7.915 0.978) 8.692 21.454 ( 4.688 -9.111 1.921) 10.424 21.561 ( -0.329 -0.168 0.381) 0.531 21.623 ( -1.515 -3.883 2.230) 4.727 22.020 ( -0.848 3.463 1.785) 3.987 22.200 ( -2.553 -11.483 1.757) 11.894 22.427 ( 1.126 12.301 -2.547) 12.613 22.681 ( 2.978 -10.767 -2.305) 11.407 23.678 ( -1.206 12.320 0.704) 12.398 23.701 ( -0.420 10.173 -1.874) 10.353 23.808 ( 3.328 13.156 0.423) 13.577 24.048 ( 6.486 -6.007 -4.875) 10.095 24.359 ( -2.596 6.330 -1.411) 6.985 24.508 ( 2.652 -2.970 -2.327) 4.612 24.655 ( -0.037 5.491 6.679) 8.647 24.702 ( -0.241 0.161 7.968) 7.973 25.887 ( 0.979 1.317 -4.449) 4.741 25.953 ( -0.576 -5.165 -5.316) 7.434 26.042 ( 0.865 0.948 5.156) 5.313 26.121 ( 1.109 -4.851 2.329) 5.494 26.794 ( -2.685 9.019 0.706) 9.436 26.912 ( -0.827 3.458 2.099) 4.129 26.940 ( -4.213 8.149 0.889) 9.217 27.249 ( -1.014 -7.368 -0.941) 7.497 27.268 ( -4.611 -10.504 -3.427) 11.972 27.280 ( -0.844 -3.686 -3.887) 5.423 27.765 ( -5.116 7.819 -5.206) 10.697 27.925 ( -2.441 -6.881 -5.235) 8.984 28.569 ( 0.567 6.232 -3.625) 7.232 28.700 ( 3.355 -4.048 -6.096) 8.050 28.986 ( -0.110 0.461 1.760) 1.823 29.012 ( -2.005 0.384 5.583) 5.945 29.168 ( -0.756 0.887 2.078) 2.383 29.227 ( -2.622 -4.621 8.130) 9.712 29.289 ( 7.141 3.194 6.979) 10.483 29.330 ( 2.010 -0.476 6.927) 7.229 29.776 ( 0.210 10.022 -2.884) 10.431 29.920 ( -3.845 1.695 1.424) 4.437 29.993 ( 2.157 -3.249 1.818) 4.303 30.015 ( 0.146 -7.521 -6.243) 9.775 30.486 ( -1.172 3.874 0.564) 4.087 30.627 ( 2.315 -9.393 -2.548) 10.004 30.849 ( 6.349 5.814 -5.106) 10.010 30.935 ( 5.864 -2.014 -3.067) 6.917 31.170 ( 3.773 0.698 0.950) 3.953 31.193 ( 4.237 0.888 3.860) 5.800 31.293 ( -0.327 -1.069 -0.685) 1.311 31.396 ( 1.044 -7.162 1.727) 7.440 31.850 ( -6.838 0.265 4.010) 7.931 31.908 ( -6.743 -5.160 7.503) 11.331 32.287 ( 3.696 4.485 -6.978) 9.081 32.405 ( 3.983 -6.705 -6.839) 10.372 34.045 ( -1.186 6.917 -0.279) 7.024 34.169 ( -0.898 6.228 0.804) 6.344 34.207 ( -1.745 -8.064 0.577) 8.271 34.347 ( -0.098 -9.985 -0.464) 9.996 39.242 ( 1.131 26.606 -1.451) 26.669 39.343 ( 0.968 22.368 3.209) 22.618 39.555 ( -1.794 -0.973 -1.438) 2.497 39.676 ( -0.047 -4.046 -0.609) 4.092 40.540 ( 0.785 -0.366 -0.700) 1.114 40.564 ( -0.042 -0.891 0.808) 1.203 40.856 ( -0.850 2.520 2.909) 3.941 40.918 ( -0.353 -0.488 2.558) 2.628 41.866 ( 0.385 6.619 -2.149) 6.969 41.982 ( 0.558 -3.375 0.324) 3.436 42.071 ( 1.057 -8.484 -2.480) 8.902 42.091 ( 0.639 -8.379 -1.167) 8.484 43.845 ( 1.824 0.463 0.791) 2.042 43.889 ( 2.276 1.588 -0.928) 2.926 43.929 ( -2.588 -6.081 0.806) 6.658 43.998 ( -1.894 -7.182 -0.291) 7.433 45.228 ( 0.446 11.572 -0.936) 11.619 45.354 ( 1.475 1.122 -0.893) 2.057 45.417 ( -0.418 10.213 3.200) 10.710 45.496 ( 0.362 3.803 4.036) 5.557 45.864 ( -2.180 15.060 -1.342) 15.276 45.936 ( -0.139 12.260 -2.873) 12.593 46.181 ( -7.193 -6.197 1.250) 9.576 46.280 ( -4.099 -11.217 -0.909) 11.977 47.113 ( 1.415 3.320 1.155) 3.789 47.140 ( 2.259 5.042 -0.834) 5.587 47.206 ( -3.531 -2.442 0.091) 4.295 47.370 ( 1.281 -13.454 -0.278) 13.518 47.673 ( -5.671 -2.018 1.785) 6.278 47.730 ( -5.409 -7.385 1.789) 9.327 48.094 ( -0.994 7.078 -1.957) 7.410 48.271 ( -1.172 -9.223 -1.328) 9.392 49.740 ( 2.066 4.209 0.646) 4.733 49.827 ( 2.862 -3.049 -0.673) 4.236 49.919 ( 3.903 -0.046 -0.808) 3.986 49.974 ( 2.957 -5.995 -0.783) 6.730 52.481 ( 1.574 4.202 0.604) 4.528 52.519 ( 2.397 3.268 -0.575) 4.093 52.577 ( 0.447 -3.218 1.232) 3.474 52.611 ( 1.787 -3.807 -0.709) 4.264 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -14.783 9.634 5.065) 18.358 3.067 ( 6.627 4.750 6.911) 10.689 3.083 ( 2.055 -2.062 3.156) 4.293 3.211 ( -1.943 -5.030 8.023) 9.666 3.609 ( -8.214 10.247 -2.829) 13.434 3.765 ( -6.012 -3.392 -1.121) 6.993 3.942 ( 10.260 15.409 -5.115) 19.206 3.983 ( -8.128 15.450 3.968) 17.903 4.052 ( 5.993 1.138 0.524) 6.123 4.115 ( -7.395 0.983 9.894) 12.391 4.225 ( -1.501 22.059 3.983) 22.466 4.311 ( 1.223 10.826 8.254) 13.668 4.430 ( -6.030 8.090 -3.178) 10.579 4.525 ( 1.612 -0.849 -3.209) 3.690 4.635 ( -1.776 4.450 1.589) 5.048 4.751 ( -2.231 -1.050 0.412) 2.500 4.854 ( 2.737 -11.688 1.155) 12.060 4.913 ( -5.651 -10.694 1.100) 12.145 5.030 ( -1.717 11.010 -9.198) 14.449 5.225 ( -3.240 -9.146 -3.974) 10.485 5.272 ( 1.683 -9.121 -2.830) 9.697 5.349 ( 2.018 -10.995 -2.956) 11.563 5.592 ( -9.337 5.260 -7.851) 13.285 5.660 ( -6.568 -1.232 -5.006) 8.349 5.737 ( 13.670 4.692 -15.162) 20.947 5.821 ( 19.899 0.777 -15.911) 25.490 5.865 ( 7.990 -1.468 -10.098) 12.960 5.874 ( 6.976 -2.754 -11.819) 13.997 6.636 ( 5.151 2.721 7.790) 9.728 6.741 ( 6.783 -7.014 7.768) 12.471 7.029 ( 3.642 -2.325 5.147) 6.720 7.050 ( 1.672 -5.946 1.771) 6.426 7.114 ( 1.958 0.581 -1.645) 2.622 7.213 ( 3.003 -8.125 1.112) 8.734 7.535 ( -9.135 -0.350 15.375) 17.887 7.550 ( -7.333 -1.357 12.874) 14.878 7.858 ( -6.808 2.159 5.284) 8.884 7.911 ( -6.503 -2.761 3.724) 7.986 7.943 ( 4.100 -0.370 4.739) 6.277 7.952 ( 1.771 -1.129 5.822) 6.189 8.507 ( -1.159 2.752 -4.663) 5.537 8.548 ( -1.101 -1.069 -4.447) 4.705 8.923 ( -0.994 1.350 -2.004) 2.613 8.958 ( -3.134 -1.935 -0.985) 3.813 9.710 ( -0.225 4.092 1.425) 4.339 9.742 ( -1.246 1.205 1.741) 2.457 10.016 ( 0.738 4.085 -2.932) 5.082 10.081 ( 1.920 -1.953 -4.633) 5.382 12.704 ( 2.160 9.303 5.153) 10.852 12.886 ( 0.462 -7.535 4.989) 9.048 13.489 ( -2.328 7.991 -10.309) 13.250 13.616 ( -1.311 -3.951 -12.087) 12.784 13.913 ( 4.216 7.988 1.726) 9.195 14.014 ( -3.160 -0.769 0.550) 3.298 14.644 ( -0.667 0.090 -10.504) 10.526 14.681 ( -6.063 -2.564 -8.969) 11.125 15.945 ( 0.921 2.515 20.240) 20.417 16.054 ( 8.216 -7.209 22.970) 25.438 16.940 ( -0.227 6.996 -5.395) 8.837 17.010 ( 0.489 1.979 0.579) 2.119 17.597 ( 0.193 1.789 5.899) 6.167 17.712 ( -1.753 -10.552 -0.506) 10.709 18.117 ( -0.922 1.634 -3.464) 3.940 18.177 ( -0.128 -3.608 -3.484) 5.018 18.600 ( 3.701 4.049 0.264) 5.491 18.723 ( -0.184 -5.052 -1.675) 5.326 18.970 ( -3.621 4.482 -10.170) 11.689 19.093 ( -2.206 -5.882 -11.481) 13.087 20.082 ( 3.966 8.650 6.110) 11.308 20.246 ( 3.413 -4.044 3.339) 6.257 20.391 ( -1.808 -1.061 0.951) 2.302 20.510 ( -3.313 -10.183 -1.203) 10.776 21.315 ( 0.347 8.895 3.567) 9.589 21.526 ( -0.475 -10.877 2.935) 11.276 21.621 ( 2.902 0.719 6.221) 6.902 21.653 ( -0.925 -3.352 2.858) 4.501 22.011 ( -2.008 3.602 0.899) 4.221 22.208 ( -0.119 -11.957 3.518) 12.465 22.398 ( 0.660 12.348 -4.417) 13.131 22.665 ( 0.512 -11.800 -4.612) 12.680 23.591 ( -3.894 13.965 -4.320) 15.128 23.656 ( -1.437 8.847 -3.833) 9.748 23.876 ( 2.003 10.580 1.222) 10.837 24.081 ( 5.644 -6.399 -5.387) 10.091 24.326 ( -1.871 9.260 2.013) 9.659 24.527 ( 2.633 -5.958 -1.711) 6.735 24.723 ( -3.924 6.252 9.238) 11.825 24.769 ( -3.234 1.505 7.808) 8.584 25.851 ( 1.251 0.029 -4.149) 4.334 25.880 ( -0.138 -3.208 -5.306) 6.202 26.115 ( 0.550 0.356 4.711) 4.757 26.177 ( 1.169 -3.932 3.180) 5.190 26.759 ( -1.909 8.598 -0.344) 8.814 26.909 ( -2.588 -2.576 1.290) 3.872 26.918 ( -0.768 11.180 1.534) 11.311 27.167 ( 2.489 5.063 -5.482) 7.866 27.228 ( 0.651 -14.721 -0.325) 14.739 27.315 ( 4.319 -7.310 -0.266) 8.495 27.586 ( -2.700 9.750 -12.179) 15.833 27.797 ( -0.217 -9.331 -11.088) 14.494 28.576 ( 3.149 6.329 -1.421) 7.211 28.673 ( 1.943 -0.859 -6.345) 6.692 28.991 ( -0.193 -1.198 -0.224) 1.233 29.034 ( -0.793 -3.947 -0.288) 4.036 29.168 ( -4.511 2.502 9.352) 10.681 29.255 ( -4.832 -5.204 8.884) 11.373 29.383 ( -8.048 7.237 6.657) 12.707 29.471 ( 2.151 1.754 7.227) 7.742 29.789 ( 1.934 3.961 0.953) 4.510 29.887 ( 2.159 -1.075 -1.759) 2.985 30.038 ( 2.618 -0.721 6.176) 6.747 30.094 ( 5.138 -4.985 3.429) 7.938 30.492 ( 0.174 2.639 1.496) 3.039 30.608 ( 0.215 -8.465 -3.691) 9.237 30.826 ( 2.206 5.496 -9.201) 10.942 30.920 ( -0.803 -2.647 -5.563) 6.213 31.215 ( 0.305 7.576 0.603) 7.606 31.259 ( 1.483 0.062 -1.722) 2.274 31.304 ( -2.268 -6.124 5.649) 8.635 31.403 ( -0.947 -9.116 0.862) 9.206 31.799 ( -5.481 2.470 3.471) 6.942 31.895 ( -5.993 -6.409 5.776) 10.505 32.264 ( 5.135 5.198 -7.428) 10.420 32.395 ( 5.758 -7.434 -6.560) 11.465 34.047 ( 0.199 6.535 1.172) 6.642 34.147 ( -0.945 6.539 -1.030) 6.687 34.207 ( -0.385 -7.731 1.446) 7.874 34.332 ( -0.024 -9.790 -1.492) 9.903 39.267 ( 2.603 25.726 0.881) 25.872 39.331 ( -4.265 22.078 -0.405) 22.490 39.568 ( 2.546 0.436 1.616) 3.046 39.670 ( 0.414 -3.478 -0.924) 3.623 40.551 ( 1.019 -1.047 0.243) 1.482 40.566 ( -0.991 -1.389 0.634) 1.820 40.885 ( -1.389 3.434 4.248) 5.637 40.948 ( -0.758 -0.544 3.575) 3.694 41.850 ( 0.844 6.024 -2.091) 6.432 41.975 ( -0.236 -2.890 -1.327) 3.189 42.035 ( -0.727 -8.350 -4.107) 9.334 42.076 ( 1.225 -7.798 -2.706) 8.344 43.870 ( -0.719 -1.854 0.502) 2.050 43.904 ( -0.087 -4.138 0.834) 4.222 43.914 ( 0.732 -0.874 -0.438) 1.221 43.972 ( -0.294 -5.387 -0.544) 5.422 45.253 ( 2.187 12.264 1.697) 12.572 45.381 ( 0.372 3.233 1.760) 3.700 45.415 ( -2.175 9.759 0.659) 10.020 45.519 ( -3.156 2.740 2.922) 5.099 45.833 ( 0.343 14.028 -1.128) 14.078 45.940 ( 6.102 9.040 -3.325) 11.402 46.112 ( -4.573 -3.365 1.870) 5.978 46.239 ( 1.102 -10.133 -1.438) 10.294 47.112 ( -2.268 2.050 -0.393) 3.082 47.152 ( 0.988 0.065 -1.127) 1.500 47.212 ( 1.616 3.020 3.149) 4.653 47.382 ( 0.657 -11.364 -0.422) 11.391 47.629 ( -2.339 -1.325 1.533) 3.095 47.721 ( 0.255 -8.821 3.007) 9.323 48.065 ( 0.817 5.669 -2.397) 6.209 48.229 ( -0.166 -9.172 -3.442) 9.797 49.762 ( -0.508 3.974 0.755) 4.077 49.844 ( 0.295 -2.583 -0.770) 2.711 49.948 ( 0.723 -0.970 -0.462) 1.295 49.989 ( 0.435 -5.356 -1.076) 5.480 52.498 ( -0.515 3.751 0.611) 3.835 52.538 ( 0.865 3.289 -0.425) 3.427 52.585 ( -1.278 -3.068 1.033) 3.480 52.628 ( 0.936 -3.839 -0.067) 3.952 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -24.112 16.115 8.549) 30.235 2.927 ( -19.283 -4.169 1.329) 19.773 3.165 ( -18.551 4.119 -8.349) 20.756 3.300 ( -5.370 -2.833 -7.780) 9.869 3.552 ( 11.276 1.211 10.535) 15.479 3.586 ( 0.117 -3.029 3.397) 4.553 3.961 ( -4.638 10.703 8.689) 14.545 4.084 ( 1.769 2.071 3.884) 4.744 4.170 ( 3.452 6.745 0.957) 7.637 4.226 ( 5.485 10.087 0.184) 11.483 4.262 ( 1.721 14.659 6.575) 16.158 4.318 ( 0.584 11.589 0.263) 11.607 4.428 ( 4.394 10.756 6.391) 13.260 4.532 ( -9.035 12.997 -4.811) 16.544 4.544 ( 0.174 5.201 -1.397) 5.388 4.681 ( -2.623 2.828 -2.202) 4.441 4.796 ( 2.502 4.846 -4.160) 6.859 4.908 ( -0.221 -12.819 2.038) 12.982 5.001 ( 4.419 -0.178 -0.799) 4.494 5.154 ( -1.391 -11.330 0.662) 11.434 5.276 ( 0.953 -8.075 -1.857) 8.340 5.329 ( 2.261 -9.767 -5.150) 11.271 5.452 ( -0.688 -0.861 -1.763) 2.080 5.520 ( -1.144 -7.738 -4.097) 8.831 5.706 ( 3.450 1.622 -12.636) 13.198 5.773 ( 1.329 -3.198 -13.728) 14.158 5.959 ( 22.424 5.272 -10.270) 25.221 6.024 ( 25.514 -0.584 -9.585) 27.262 6.783 ( 3.344 0.119 4.744) 5.805 6.875 ( 2.710 -8.159 2.596) 8.980 7.025 ( 1.200 -2.254 -6.158) 6.666 7.065 ( 1.779 -6.933 -4.474) 8.441 7.273 ( 1.911 1.315 12.635) 12.846 7.343 ( 1.538 -5.563 10.335) 11.838 7.538 ( -6.289 1.002 1.680) 6.586 7.558 ( -7.026 -0.928 7.102) 10.033 7.806 ( -11.602 0.113 9.432) 14.952 7.833 ( -7.948 -2.557 6.832) 10.789 8.110 ( 7.305 -0.022 4.308) 8.481 8.119 ( 8.460 -0.790 5.117) 9.919 8.414 ( -3.403 3.589 -2.715) 5.642 8.466 ( -3.068 -1.295 -1.944) 3.856 8.862 ( -2.288 0.627 -3.621) 4.329 8.879 ( -4.302 -1.132 -2.082) 4.912 9.709 ( -2.977 3.726 2.431) 5.353 9.731 ( -3.171 1.946 2.010) 4.229 9.962 ( -2.020 4.202 -3.897) 6.077 10.036 ( 0.110 -2.439 -4.742) 5.333 12.827 ( 1.738 7.670 8.558) 11.623 12.958 ( -2.233 -3.103 6.747) 7.755 13.267 ( -3.443 5.266 -14.100) 15.440 13.417 ( -3.725 -7.424 -13.271) 15.656 13.926 ( -5.354 11.330 0.251) 12.533 14.003 ( 1.940 6.279 2.269) 6.953 14.460 ( -7.653 -0.463 -5.139) 9.230 14.597 ( 3.784 -10.418 -3.728) 11.694 16.263 ( 5.705 9.116 19.959) 22.672 16.488 ( 10.209 -10.703 20.517) 25.293 16.876 ( 4.271 5.825 -9.387) 11.844 17.001 ( 4.059 -4.457 -7.041) 9.269 17.673 ( -3.281 -0.386 8.260) 8.896 17.722 ( -0.929 -4.894 6.057) 7.842 18.012 ( -5.145 4.369 -5.936) 8.989 18.097 ( -1.368 -2.379 -6.226) 6.804 18.678 ( -2.199 0.681 -2.738) 3.577 18.705 ( 6.798 -2.014 1.696) 7.290 18.779 ( -3.007 5.141 -10.072) 11.701 18.958 ( 2.373 -9.183 -8.521) 12.750 20.234 ( 4.022 8.826 7.243) 12.105 20.265 ( -0.860 4.737 -3.655) 6.045 20.432 ( -0.835 -9.295 -1.404) 9.438 20.450 ( 1.632 -9.551 5.149) 10.973 21.358 ( -3.059 6.787 5.941) 9.525 21.503 ( -4.994 -3.456 -1.367) 6.225 21.645 ( -2.860 -4.381 3.123) 6.093 21.722 ( -0.274 -7.986 2.498) 8.372 22.019 ( 0.004 10.552 4.965) 11.661 22.267 ( 0.477 -7.573 2.947) 8.140 22.356 ( 1.668 5.298 -2.927) 6.278 22.588 ( -1.104 -11.683 -6.497) 13.413 23.494 ( -3.254 14.023 -2.058) 14.542 23.578 ( -2.645 7.489 -3.040) 8.504 23.883 ( -0.252 9.708 -1.411) 9.813 24.081 ( 3.325 -7.145 -5.562) 9.646 24.345 ( -1.361 9.943 3.972) 10.793 24.529 ( -0.135 -5.035 -1.705) 5.317 24.768 ( -4.808 5.744 9.328) 11.963 24.827 ( -1.751 0.844 8.850) 9.061 25.800 ( -1.243 -0.317 -4.569) 4.745 25.827 ( 0.353 -1.881 -4.034) 4.465 26.168 ( 0.383 0.899 2.460) 2.647 26.224 ( 0.659 -3.409 1.880) 3.948 26.719 ( -3.111 6.050 0.035) 6.803 26.847 ( -4.153 -5.393 -1.955) 7.082 26.976 ( 4.127 13.382 3.178) 14.360 27.197 ( 5.933 9.907 -2.209) 11.757 27.273 ( 4.425 -12.356 0.946) 13.159 27.382 ( 5.596 -3.888 -3.565) 7.690 27.444 ( 4.127 4.455 -7.623) 9.747 27.671 ( 3.714 -11.344 -12.688) 17.420 28.590 ( -2.048 2.866 -6.346) 7.258 28.593 ( 1.374 2.913 -2.923) 4.350 28.942 ( -3.582 2.429 -1.165) 4.482 29.028 ( 1.809 -4.742 -1.372) 5.257 29.223 ( -7.287 3.889 5.452) 9.897 29.307 ( -4.029 -2.601 10.780) 11.799 29.356 ( -5.606 1.350 13.207) 14.411 29.494 ( -8.286 -8.198 5.881) 13.055 29.832 ( 4.839 9.625 -0.718) 10.796 29.952 ( 3.644 -0.304 -1.380) 3.909 30.165 ( 2.035 -0.831 5.443) 5.870 30.203 ( 3.752 -4.435 2.444) 6.302 30.513 ( 0.029 -0.519 -1.384) 1.478 30.543 ( -3.411 -3.774 0.350) 5.099 30.705 ( -1.431 4.356 -9.479) 10.529 30.808 ( -2.625 -4.679 -6.641) 8.537 31.199 ( -2.565 6.038 0.883) 6.619 31.221 ( -4.017 1.924 -1.770) 4.793 31.316 ( -2.190 -3.134 4.637) 6.010 31.435 ( 0.372 -9.329 3.681) 10.036 31.764 ( -3.464 2.838 1.416) 4.697 31.868 ( -4.970 -6.397 3.915) 8.997 32.266 ( 6.219 6.206 -6.353) 10.843 32.417 ( 6.650 -8.283 -5.589) 12.002 34.040 ( -2.495 6.489 -0.262) 6.957 34.154 ( 2.612 4.688 0.367) 5.380 34.212 ( -0.885 -6.681 0.755) 6.781 34.326 ( 1.814 -8.375 -0.927) 8.619 39.244 ( -4.716 22.533 -1.239) 23.055 39.341 ( 3.408 18.423 3.097) 18.990 39.612 ( 0.847 3.194 -0.518) 3.345 39.676 ( 2.170 1.115 -0.544) 2.500 40.544 ( -2.064 -0.210 0.096) 2.077 40.577 ( 0.838 -2.901 1.024) 3.188 40.910 ( -2.152 4.073 3.985) 6.091 40.982 ( -0.489 -1.749 3.537) 3.976 41.820 ( -1.982 2.494 -2.098) 3.814 41.960 ( -1.924 -7.841 -3.907) 8.969 41.974 ( 3.035 -0.959 -1.048) 3.351 42.073 ( 2.482 -7.032 -2.290) 7.801 43.839 ( -2.976 0.597 0.233) 3.044 43.900 ( -1.257 0.709 -0.386) 1.494 43.931 ( 1.207 -6.859 0.825) 7.013 43.985 ( 2.264 -6.409 -0.486) 6.814 45.311 ( -0.346 10.828 1.050) 10.885 45.363 ( -0.986 11.321 2.522) 11.640 45.413 ( -2.106 3.825 0.473) 4.392 45.504 ( -1.318 1.217 2.510) 3.085 45.861 ( 4.542 13.493 -0.010) 14.237 46.027 ( 9.846 7.254 -3.117) 12.621 46.081 ( -1.201 -1.257 0.162) 1.746 46.279 ( 5.110 -9.594 -0.398) 10.877 47.065 ( -2.930 4.590 -0.095) 5.446 47.162 ( 1.160 -1.352 -0.356) 1.816 47.269 ( 0.367 -1.643 2.423) 2.951 47.385 ( 1.367 -9.359 -1.010) 9.512 47.649 ( 2.150 3.393 2.453) 4.707 47.808 ( 5.997 -9.535 2.912) 11.635 48.062 ( 1.931 2.769 -1.419) 3.662 48.188 ( 1.357 -8.007 -4.661) 9.363 49.741 ( -3.471 3.685 0.800) 5.125 49.817 ( -2.238 -1.849 -1.115) 3.109 49.926 ( -3.018 -2.162 -0.403) 3.735 49.960 ( -2.296 -4.782 -1.256) 5.451 52.477 ( -2.961 3.600 0.371) 4.676 52.536 ( -0.511 3.015 -0.379) 3.082 52.564 ( -2.875 -2.413 0.924) 3.865 52.634 ( -0.176 -4.176 0.120) 4.181 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -31.488 17.344 -15.024) 38.962 2.444 ( -23.733 19.322 15.436) 34.277 2.778 ( -25.102 -12.664 -13.762) 31.304 2.899 ( -18.663 -18.227 8.956) 27.582 3.817 ( 4.603 7.156 5.628) 10.202 3.893 ( 13.566 3.197 7.102) 15.643 3.999 ( -6.687 9.206 6.349) 13.029 4.053 ( -1.309 2.730 5.103) 5.934 4.200 ( 1.498 19.043 0.275) 19.104 4.280 ( -0.721 13.942 1.418) 14.033 4.334 ( 0.814 11.166 5.330) 12.399 4.385 ( 0.455 14.535 3.955) 15.070 4.420 ( 7.976 1.563 -1.328) 8.235 4.564 ( 0.930 13.260 3.676) 13.791 4.661 ( 2.626 6.986 -1.598) 7.632 4.705 ( 10.871 1.924 3.263) 11.512 4.846 ( 8.258 -1.276 -0.630) 8.380 4.898 ( 0.658 -11.026 -1.332) 11.126 5.062 ( 1.706 -5.601 -0.583) 5.884 5.195 ( 1.732 -8.312 4.182) 9.465 5.249 ( 0.787 -5.918 -3.596) 6.970 5.315 ( 3.966 -10.524 -4.373) 12.067 5.459 ( 2.718 -2.533 -3.806) 5.319 5.502 ( 0.912 -4.036 -1.654) 4.456 5.578 ( 1.148 -4.068 -10.119) 10.967 5.608 ( -0.099 -4.748 -11.399) 12.349 6.234 ( 24.095 7.664 -5.930) 25.971 6.328 ( 25.415 -0.967 -6.994) 26.378 6.877 ( 3.615 -3.028 2.599) 5.384 6.912 ( 1.112 -5.803 -1.415) 6.076 6.965 ( 0.745 -1.910 -5.340) 5.720 7.026 ( 1.759 -7.863 -5.407) 9.703 7.247 ( -8.600 3.012 -6.125) 10.980 7.342 ( -8.105 -5.730 -3.317) 10.465 7.531 ( -2.110 1.343 7.248) 7.667 7.572 ( -2.143 -2.549 6.062) 6.916 7.754 ( -6.886 1.771 6.406) 9.570 7.827 ( -6.529 -4.682 7.624) 11.076 8.210 ( 0.660 2.683 1.986) 3.403 8.261 ( 2.492 -2.145 3.125) 4.536 8.399 ( 0.677 3.421 3.565) 4.987 8.455 ( 0.065 -1.543 3.744) 4.050 8.777 ( -4.423 0.611 -0.825) 4.541 8.798 ( -3.061 -1.179 -0.935) 3.411 9.682 ( -4.608 3.428 2.558) 6.287 9.695 ( -4.312 2.699 1.801) 5.396 9.871 ( -3.032 5.704 -3.714) 7.451 9.980 ( -0.453 -3.939 -3.351) 5.191 12.836 ( -7.101 10.925 -3.799) 13.573 12.991 ( -2.364 1.817 8.543) 9.048 13.124 ( -2.012 -1.223 -7.008) 7.393 13.272 ( 1.795 -8.587 -1.730) 8.941 13.840 ( -5.046 12.911 -0.522) 13.872 14.051 ( 0.360 -0.483 1.172) 1.318 14.328 ( -4.938 8.481 0.247) 9.817 14.663 ( 5.549 -15.921 1.428) 16.921 16.521 ( 4.899 9.486 5.618) 12.064 16.769 ( 6.031 -13.005 -1.067) 14.375 16.863 ( 7.761 9.059 -2.318) 12.152 17.029 ( 5.980 -5.258 -0.528) 7.980 17.714 ( -4.432 0.146 7.294) 8.536 17.762 ( -4.446 -3.888 5.371) 7.983 17.854 ( -3.006 4.788 -5.405) 7.822 18.009 ( -0.520 -7.625 -5.026) 9.147 18.605 ( -2.460 2.645 -2.865) 4.610 18.636 ( -1.197 0.535 -5.451) 5.607 18.845 ( 5.139 1.415 3.462) 6.355 18.972 ( 6.086 -8.048 -0.352) 10.097 20.195 ( 0.806 6.703 -5.538) 8.732 20.325 ( 1.545 -0.542 -2.045) 2.620 20.434 ( 2.546 -0.596 4.383) 5.104 20.582 ( 2.686 -9.461 6.574) 11.830 21.308 ( -9.989 5.171 -1.316) 11.325 21.389 ( -5.991 0.273 0.272) 6.003 21.586 ( -7.320 -1.465 -0.343) 7.473 21.724 ( -0.533 -10.975 1.835) 11.140 22.124 ( 2.494 10.288 6.055) 12.196 22.260 ( 2.089 3.434 -3.957) 5.641 22.398 ( 0.664 -6.835 3.408) 7.666 22.496 ( -0.986 -9.884 -4.952) 11.099 23.442 ( -2.162 13.687 0.307) 13.860 23.514 ( -3.117 7.919 0.157) 8.512 23.860 ( -0.285 8.827 -0.830) 8.870 24.057 ( 1.716 -7.964 -4.078) 9.111 24.355 ( -1.674 9.140 1.166) 9.365 24.484 ( -2.648 -2.134 -1.417) 3.684 24.807 ( -2.304 5.642 5.124) 7.962 24.930 ( -0.760 -4.620 9.304) 10.416 25.719 ( -1.946 1.728 -3.703) 4.526 25.768 ( -1.444 -2.435 -3.745) 4.694 26.186 ( -0.331 1.681 0.400) 1.760 26.238 ( -0.105 -3.259 -0.245) 3.270 26.674 ( -3.380 3.861 1.121) 5.252 26.770 ( -4.296 -4.411 1.162) 6.266 27.073 ( 3.221 13.766 1.317) 14.199 27.249 ( 11.152 14.251 -8.319) 19.916 27.382 ( 3.268 -13.742 3.256) 14.495 27.416 ( 8.348 7.367 -1.744) 11.269 27.546 ( 8.615 -10.161 1.531) 13.410 27.622 ( 7.487 -9.753 -7.726) 14.522 28.465 ( -5.805 4.013 -2.944) 7.646 28.541 ( -4.159 -2.631 -1.797) 5.239 28.903 ( -2.256 8.223 2.370) 8.850 29.038 ( 1.259 -2.019 -1.312) 2.717 29.139 ( -5.609 0.574 1.361) 5.801 29.280 ( -9.922 -9.387 1.409) 13.731 29.472 ( -3.401 1.258 13.414) 13.895 29.530 ( -2.938 -3.992 14.462) 15.288 29.851 ( 1.721 4.072 -7.737) 8.911 29.875 ( -3.976 0.824 -10.401) 11.165 30.174 ( -3.743 1.133 0.308) 3.923 30.256 ( 1.717 -5.244 -1.219) 5.651 30.464 ( -1.604 4.456 1.925) 5.112 30.552 ( -0.657 -3.184 -0.900) 3.373 30.614 ( 0.163 2.434 -1.727) 2.989 30.704 ( -1.337 -5.430 -4.152) 6.965 31.147 ( -4.215 6.083 0.990) 7.467 31.171 ( -1.829 3.166 -0.001) 3.656 31.343 ( -0.248 -0.309 1.950) 1.990 31.479 ( -0.123 -10.670 2.312) 10.919 31.727 ( -3.614 4.778 2.210) 6.386 31.852 ( -3.323 -6.604 4.101) 8.454 32.292 ( 5.973 6.816 -4.896) 10.301 32.452 ( 5.962 -8.326 -4.800) 11.310 33.991 ( -2.334 7.781 -0.647) 8.149 34.177 ( -0.997 -8.683 0.511) 8.755 34.234 ( 2.919 3.936 0.628) 4.940 34.357 ( 2.211 -6.612 0.084) 6.972 39.169 ( -3.406 24.657 -0.639) 24.899 39.435 ( 2.090 5.390 4.218) 7.156 39.590 ( 1.080 9.466 -4.016) 10.339 39.706 ( 1.838 4.082 -0.466) 4.501 40.512 ( -1.680 1.618 -0.189) 2.340 40.594 ( -0.175 -3.917 0.668) 3.977 40.916 ( -2.098 4.013 2.283) 5.072 41.013 ( -0.743 -3.438 2.439) 4.280 41.753 ( -3.021 1.446 -1.290) 3.589 41.893 ( -2.087 -8.754 -1.561) 9.134 42.035 ( 4.668 -1.320 0.216) 4.856 42.094 ( 3.230 -5.342 -1.523) 6.426 43.797 ( -2.598 3.977 0.159) 4.752 43.875 ( -1.057 3.437 -0.544) 3.637 43.958 ( 0.737 -9.503 0.929) 9.577 44.014 ( 1.934 -8.350 -0.284) 8.575 45.267 ( -2.112 9.370 -1.315) 9.694 45.349 ( -3.710 2.718 -0.343) 4.612 45.448 ( 1.899 10.218 4.422) 11.295 45.519 ( -1.024 4.275 1.257) 4.573 45.961 ( 6.528 12.993 0.888) 14.568 46.075 ( 1.827 3.294 -2.190) 4.357 46.160 ( 11.830 1.370 -1.718) 12.032 46.367 ( 5.875 -10.435 0.254) 11.978 47.026 ( -2.159 6.697 0.231) 7.040 47.171 ( 0.234 -0.738 -0.083) 0.779 47.280 ( -0.711 -6.231 0.410) 6.284 47.398 ( 1.478 -10.161 -0.737) 10.294 47.762 ( 7.598 8.450 3.259) 11.822 47.954 ( 8.530 -8.060 1.539) 11.836 48.085 ( 1.915 -0.505 -0.100) 1.983 48.162 ( 2.188 -6.302 -3.334) 7.458 49.678 ( -5.879 3.068 0.753) 6.674 49.750 ( -4.327 -2.287 -1.431) 5.099 49.847 ( -5.407 -1.066 -1.117) 5.623 49.900 ( -3.832 -4.429 -0.460) 5.875 52.424 ( -4.299 4.134 0.290) 5.972 52.509 ( -2.322 -1.569 -0.390) 2.829 52.530 ( -2.492 2.255 0.627) 3.419 52.626 ( -0.815 -4.517 -0.165) 4.593 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -17.152 23.400 2.307) 29.104 2.340 ( -12.350 -18.455 1.661) 22.268 2.370 ( -20.997 22.938 24.520) 39.601 2.839 ( -15.246 -20.450 20.824) 32.928 3.805 ( -6.773 13.725 4.086) 15.842 3.946 ( -5.733 -0.245 5.495) 7.944 4.049 ( 1.729 21.948 -0.168) 22.017 4.168 ( 6.492 13.476 -2.141) 15.110 4.252 ( 5.019 12.821 -2.654) 14.021 4.325 ( 2.757 7.381 -3.728) 8.717 4.423 ( 1.186 16.690 4.054) 17.216 4.462 ( 1.735 -1.334 2.855) 3.598 4.486 ( 0.371 -1.887 -2.762) 3.365 4.588 ( 0.648 15.397 -0.908) 15.437 4.631 ( -3.368 4.076 2.353) 5.788 4.859 ( 1.646 -2.526 -0.076) 3.016 4.887 ( 4.936 -8.120 -1.649) 9.645 5.011 ( 5.170 -4.345 0.398) 6.765 5.058 ( 5.403 2.497 -0.336) 5.961 5.230 ( 0.504 -7.276 -1.413) 7.429 5.267 ( 1.326 -4.200 0.166) 4.407 5.324 ( 0.465 -10.355 1.237) 10.439 5.407 ( 1.959 -4.537 -1.695) 5.225 5.468 ( 1.794 -7.982 -4.914) 9.544 5.544 ( 5.372 -1.858 -6.472) 8.614 5.587 ( 3.589 -4.940 -0.709) 6.148 6.445 ( 15.448 7.417 -14.518) 22.459 6.536 ( 16.594 -0.918 -15.016) 22.398 6.887 ( 5.869 0.013 -6.548) 8.793 6.915 ( 1.879 -3.007 -5.295) 6.372 6.977 ( 4.265 -5.160 2.121) 7.022 6.984 ( -1.176 -3.203 -3.322) 4.762 7.072 ( -1.789 -2.496 -3.535) 4.683 7.164 ( -5.152 -7.691 -5.747) 10.896 7.525 ( -6.788 0.658 3.799) 7.807 7.555 ( -6.123 -2.281 2.663) 7.056 7.757 ( -2.558 2.351 4.193) 5.446 7.833 ( -2.858 -4.420 5.504) 7.616 8.230 ( -3.934 4.219 5.772) 8.161 8.306 ( -2.256 -2.929 4.823) 6.077 8.451 ( 0.936 2.264 1.742) 3.006 8.492 ( 0.827 -1.144 -0.288) 1.441 8.733 ( -4.027 1.395 4.649) 6.307 8.778 ( -1.891 -2.394 3.527) 4.663 9.634 ( -3.986 3.795 1.027) 5.599 9.657 ( -3.374 2.029 1.681) 4.282 9.804 ( -1.270 7.849 -1.085) 8.024 9.949 ( 0.342 -5.169 -1.519) 5.398 12.704 ( -2.313 13.489 -2.950) 14.000 12.947 ( -3.117 -8.468 -4.090) 9.907 13.123 ( -1.218 9.445 7.963) 12.413 13.342 ( 0.596 -9.667 5.989) 11.388 13.768 ( -2.642 10.637 -1.525) 11.066 14.027 ( -1.845 -11.633 -2.479) 12.036 14.315 ( -1.965 20.894 4.795) 21.527 14.758 ( 2.871 -18.577 1.958) 18.899 16.569 ( 7.172 6.709 -10.052) 14.053 16.744 ( 7.330 -7.129 -13.925) 17.276 17.001 ( 2.862 4.296 3.211) 6.080 17.057 ( -2.324 2.741 1.336) 3.834 17.674 ( -3.262 1.253 -2.486) 4.288 17.726 ( -4.699 -1.918 1.716) 5.357 17.866 ( 0.854 -1.647 6.355) 6.620 17.989 ( 1.892 -10.356 0.524) 10.541 18.548 ( -1.870 2.529 0.488) 3.183 18.613 ( 1.521 -3.602 2.343) 4.559 18.941 ( 1.461 4.074 2.572) 5.034 19.079 ( 3.369 -7.500 3.472) 8.925 20.173 ( 5.796 7.756 -6.588) 11.711 20.304 ( 2.145 -2.466 -4.765) 5.778 20.515 ( 0.570 2.074 1.368) 2.549 20.650 ( -2.484 -8.356 2.284) 9.012 21.116 ( -8.138 6.956 -2.010) 10.893 21.291 ( -5.810 -9.413 -0.091) 11.062 21.497 ( -3.681 9.689 0.800) 10.395 21.736 ( -0.545 -12.032 0.640) 12.062 22.179 ( -0.175 9.096 1.155) 9.171 22.295 ( 5.250 2.029 -0.718) 5.674 22.421 ( -2.272 -5.604 1.773) 6.302 22.438 ( -0.280 -7.970 -2.767) 8.441 23.436 ( -0.892 13.869 2.570) 14.134 23.491 ( -3.115 8.702 3.820) 10.001 23.858 ( 0.418 7.118 0.132) 7.132 24.036 ( 1.084 -7.332 -3.043) 8.012 24.337 ( -0.236 8.781 -0.900) 8.830 24.430 ( -2.312 -0.530 -0.606) 2.448 24.804 ( -2.039 5.069 -0.845) 5.529 24.957 ( -3.747 -8.083 -2.019) 9.135 25.699 ( 0.385 1.066 4.155) 4.307 25.724 ( -0.411 -1.341 0.480) 1.482 26.168 ( -0.745 2.228 -1.890) 3.015 26.220 ( -0.085 -3.228 -2.214) 3.915 26.653 ( -2.215 4.184 2.802) 5.502 26.758 ( -3.356 -5.214 6.290) 8.832 27.107 ( 1.700 14.609 -1.098) 14.748 27.379 ( 14.306 9.858 -2.576) 17.563 27.410 ( 2.784 -10.313 -3.364) 11.199 27.566 ( 6.193 1.684 3.020) 7.093 27.655 ( 7.694 -8.640 -0.554) 11.583 27.734 ( 4.531 -6.928 4.741) 9.540 28.369 ( -5.525 3.234 2.576) 6.901 28.449 ( -7.190 -4.458 2.207) 8.743 28.913 ( -2.239 10.365 3.903) 11.299 29.032 ( 0.841 1.449 -1.358) 2.157 29.099 ( -2.287 -3.441 -0.092) 4.133 29.162 ( -7.628 -7.793 4.005) 11.617 29.489 ( -5.828 4.297 -3.123) 7.886 29.594 ( -6.695 -4.992 -8.525) 11.934 29.707 ( 0.924 1.508 3.580) 3.993 29.759 ( -1.119 -2.822 1.366) 3.329 30.146 ( -0.513 5.568 0.973) 5.675 30.265 ( 1.559 -5.494 -0.951) 5.790 30.474 ( 2.234 2.864 -1.771) 4.041 30.507 ( 0.377 -0.445 -4.333) 4.373 30.593 ( -1.846 2.996 -0.604) 3.570 30.684 ( -1.584 -4.810 1.968) 5.433 31.110 ( -2.226 6.629 0.208) 6.995 31.144 ( -0.496 2.978 -1.369) 3.315 31.343 ( -0.207 0.005 -1.578) 1.591 31.464 ( -0.992 -10.434 -3.470) 11.040 31.737 ( -3.024 5.680 7.876) 10.170 31.869 ( -2.831 -6.869 6.157) 9.649 32.321 ( 4.837 6.711 -3.965) 9.174 32.475 ( 4.711 -7.772 -4.692) 10.228 33.969 ( -0.853 8.516 1.396) 8.671 34.174 ( -0.693 -10.591 1.573) 10.729 34.275 ( 1.658 4.213 -0.327) 4.539 34.383 ( 1.100 -5.825 -0.294) 5.935 39.130 ( -1.571 25.795 0.571) 25.849 39.464 ( -1.881 -4.525 -0.801) 4.965 39.591 ( 3.913 15.240 -1.126) 15.774 39.718 ( 1.073 4.689 -0.958) 4.905 40.495 ( -0.503 2.897 0.116) 2.943 40.588 ( -0.779 -2.768 -0.287) 2.890 40.906 ( -1.495 2.603 0.634) 3.068 41.010 ( -1.462 -4.673 -0.277) 4.904 41.717 ( -1.808 1.471 1.807) 2.949 41.867 ( -1.078 -9.768 1.488) 9.939 42.086 ( 2.660 -1.677 -2.091) 3.776 42.128 ( 2.605 -4.627 -0.739) 5.361 43.769 ( -1.510 6.615 0.474) 6.802 43.857 ( -0.312 5.561 -0.612) 5.603 43.976 ( 0.007 -11.161 1.104) 11.215 44.035 ( 1.130 -9.737 -0.098) 9.803 45.235 ( -0.355 8.209 -0.649) 8.243 45.302 ( -1.589 2.766 -0.292) 3.203 45.488 ( -2.280 6.766 -0.406) 7.151 45.511 ( 0.074 6.046 1.054) 6.138 46.041 ( 4.501 13.754 -2.313) 14.655 46.077 ( 1.847 13.519 -2.168) 13.816 46.334 ( 10.070 -10.481 0.940) 14.566 46.446 ( 3.638 -12.196 0.179) 12.729 47.006 ( -1.132 7.834 0.568) 7.936 47.168 ( -0.076 1.523 -0.586) 1.634 47.268 ( -0.942 -8.713 0.009) 8.764 47.409 ( 1.444 -10.994 -1.365) 11.172 47.926 ( 7.620 7.856 2.343) 11.193 48.075 ( 4.996 -6.768 -0.795) 8.450 48.109 ( 3.589 0.919 -0.903) 3.813 48.176 ( -0.043 -5.329 1.312) 5.488 49.598 ( -5.273 2.301 1.199) 5.877 49.662 ( -4.343 -3.312 -0.394) 5.476 49.766 ( -3.063 1.845 -0.604) 3.627 49.841 ( -3.183 -4.509 -0.035) 5.519 52.367 ( -3.398 5.205 0.674) 6.253 52.471 ( -2.017 -3.371 0.064) 3.929 52.503 ( -1.438 4.019 -0.059) 4.269 52.609 ( -0.624 -4.784 -0.717) 4.878 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.385 0.000 31.082) 31.084 1.846 ( -0.115 0.000 -30.214) 30.214 2.213 ( 11.716 0.000 47.631) 49.051 3.002 ( -5.957 0.000 -15.023) 16.161 3.002 ( 2.887 0.000 8.351) 8.836 3.277 ( -10.615 0.000 -29.864) 31.694 3.300 ( -11.323 0.000 58.526) 59.611 3.430 ( 4.298 0.000 26.216) 26.566 3.774 ( -11.385 0.000 -19.510) 22.589 3.996 ( -13.437 0.000 15.970) 20.870 4.237 ( -1.640 0.000 17.560) 17.636 4.271 ( 13.058 0.000 -13.179) 18.553 4.479 ( -13.192 0.000 23.938) 27.332 4.518 ( 5.291 0.000 -15.209) 16.103 4.565 ( -13.915 0.000 22.427) 26.393 4.788 ( 14.587 0.000 -52.118) 54.121 4.815 ( -10.214 0.000 15.084) 18.217 4.818 ( 10.029 0.000 -12.475) 16.006 4.977 ( 19.523 0.000 -11.086) 22.451 5.145 ( -0.256 0.000 -15.214) 15.216 5.172 ( 5.373 0.000 0.947) 5.455 5.283 ( -5.722 0.000 2.504) 6.246 5.388 ( 3.699 0.000 -9.231) 9.945 5.400 ( 8.083 0.000 -4.954) 9.480 5.763 ( -1.993 0.000 -13.701) 13.845 5.826 ( 4.980 0.000 -11.131) 12.194 6.145 ( -7.563 0.000 10.065) 12.590 6.321 ( 6.355 0.000 -6.132) 8.831 6.920 ( 6.919 0.000 5.236) 8.677 7.078 ( -5.808 0.000 -7.836) 9.753 7.202 ( 16.330 0.000 7.946) 18.160 7.303 ( 0.070 0.000 5.209) 5.210 7.363 ( -13.544 0.000 -6.598) 15.066 7.414 ( -2.251 0.000 -4.917) 5.407 7.632 ( 4.043 0.000 6.080) 7.301 7.750 ( -1.434 0.000 -4.675) 4.890 8.013 ( 4.130 0.000 4.529) 6.130 8.141 ( -2.770 0.000 -7.830) 8.306 8.199 ( 0.520 0.000 8.564) 8.580 8.366 ( -1.298 0.000 -6.785) 6.909 8.395 ( -11.321 0.000 15.394) 19.108 8.662 ( 7.393 0.000 -9.697) 12.194 8.912 ( -8.607 0.000 14.072) 16.496 9.171 ( 5.905 0.000 -10.250) 11.829 9.212 ( -11.227 0.000 9.780) 14.889 9.383 ( 8.500 0.000 -6.460) 10.676 9.644 ( -7.598 0.000 13.012) 15.068 9.887 ( 6.416 0.000 -9.139) 11.166 12.212 ( 6.141 0.000 7.305) 9.543 12.399 ( -5.730 0.000 -10.178) 11.680 13.362 ( 2.191 0.000 19.490) 19.612 13.739 ( -1.577 0.000 -14.449) 14.535 13.783 ( -0.993 0.000 10.216) 10.264 13.934 ( -3.423 0.000 2.791) 4.417 14.446 ( 4.074 0.000 13.689) 14.282 14.900 ( 2.318 0.000 -18.592) 18.736 16.114 ( -0.738 0.000 8.078) 8.112 16.401 ( -1.242 0.000 -15.468) 15.518 16.706 ( 2.779 0.000 -0.792) 2.889 16.777 ( -1.196 0.000 -8.593) 8.675 17.533 ( -12.643 0.000 0.103) 12.644 17.598 ( 10.278 0.000 -6.457) 12.138 18.413 ( 7.719 0.000 9.895) 12.549 18.578 ( 6.855 0.000 7.432) 10.111 18.599 ( -6.080 0.000 -5.261) 8.040 18.714 ( -6.040 0.000 -4.894) 7.774 19.382 ( 14.610 0.000 3.698) 15.071 19.435 ( -15.901 0.000 -0.891) 15.926 19.663 ( -15.506 0.000 8.363) 17.617 19.720 ( 19.131 0.000 5.372) 19.871 20.693 ( -12.368 0.000 -1.838) 12.504 20.708 ( 14.832 0.000 -1.521) 14.910 21.138 ( 0.276 0.000 5.061) 5.068 21.313 ( -7.411 0.000 -11.167) 13.403 21.584 ( 5.698 0.000 -0.790) 5.752 21.587 ( -3.320 0.000 -0.810) 3.418 22.365 ( -2.322 0.000 12.700) 12.911 22.561 ( 0.835 0.000 -0.361) 0.910 22.685 ( 15.330 0.000 -0.670) 15.344 22.694 ( -22.950 0.000 -6.331) 23.807 22.960 ( 10.689 0.000 -0.241) 10.692 22.974 ( -4.082 0.000 -0.063) 4.083 23.033 ( -7.325 0.000 0.717) 7.360 23.087 ( 4.241 0.000 -2.854) 5.112 23.821 ( -9.779 0.000 10.874) 14.624 24.035 ( 8.008 0.000 -8.652) 11.789 24.576 ( -1.623 0.000 1.225) 2.033 24.643 ( 0.521 0.000 -4.903) 4.930 25.874 ( 2.878 0.000 2.441) 3.774 25.912 ( -3.392 0.000 -0.929) 3.517 26.293 ( -1.820 0.000 1.662) 2.465 26.348 ( 3.292 0.000 -3.303) 4.664 26.562 ( -1.385 0.000 0.364) 1.432 26.563 ( 0.821 0.000 0.235) 0.854 27.210 ( 3.185 0.000 5.284) 6.169 27.285 ( -1.062 0.000 -1.241) 1.633 27.783 ( -2.159 0.000 1.213) 2.476 27.803 ( -3.188 0.000 -0.393) 3.212 28.193 ( -5.618 0.000 0.056) 5.618 28.217 ( 10.365 0.000 -1.720) 10.506 28.557 ( 2.856 0.000 10.231) 10.622 28.667 ( -2.617 0.000 -1.537) 3.035 28.772 ( 13.831 0.000 9.707) 16.897 28.938 ( -7.039 0.000 -4.008) 8.100 29.121 ( -2.836 0.000 -5.147) 5.877 29.186 ( 1.862 0.000 -8.987) 9.178 29.370 ( -1.619 0.000 1.650) 2.312 29.502 ( -4.117 0.000 -11.633) 12.340 29.887 ( 6.170 0.000 2.186) 6.546 29.888 ( -8.534 0.000 2.619) 8.927 30.189 ( 11.536 0.000 1.292) 11.608 30.196 ( 8.670 0.000 5.338) 10.182 30.241 ( -13.527 0.000 -2.380) 13.734 30.327 ( -3.529 0.000 -6.206) 7.139 30.779 ( -9.473 0.000 -0.799) 9.507 30.787 ( 8.433 0.000 -1.549) 8.574 30.982 ( -2.884 0.000 3.433) 4.484 31.038 ( 3.361 0.000 -1.356) 3.624 31.719 ( -3.883 0.000 8.644) 9.476 31.832 ( 5.167 0.000 -1.901) 5.505 32.035 ( -12.934 0.000 -2.043) 13.095 32.043 ( 7.811 0.000 -2.441) 8.183 32.480 ( -7.051 0.000 6.697) 9.724 32.638 ( 6.031 0.000 -8.193) 10.173 33.931 ( 3.881 0.000 7.116) 8.105 34.065 ( -3.345 0.000 -5.299) 6.267 34.914 ( 0.595 0.000 8.232) 8.253 35.071 ( -2.247 0.000 -6.302) 6.690 37.560 ( -4.314 0.000 0.123) 4.316 37.567 ( 4.239 0.000 -0.554) 4.275 39.032 ( 2.101 0.000 1.786) 2.758 39.058 ( -2.017 0.000 -0.631) 2.113 40.585 ( -0.066 0.000 2.905) 2.906 40.673 ( 0.436 0.000 -5.181) 5.200 40.814 ( -3.777 0.000 0.060) 3.778 40.829 ( 6.747 0.000 -1.222) 6.856 42.254 ( 3.025 0.000 1.084) 3.214 42.272 ( -2.587 0.000 -0.558) 2.647 42.443 ( -6.356 0.000 1.785) 6.602 42.446 ( 4.277 0.000 1.655) 4.586 43.670 ( -0.936 0.000 -0.010) 0.936 43.676 ( 0.634 0.000 -0.609) 0.880 44.472 ( -1.641 0.000 2.385) 2.895 44.516 ( 1.604 0.000 -1.329) 2.083 44.666 ( 0.724 0.000 0.454) 0.855 44.693 ( -0.453 0.000 -1.591) 1.654 44.824 ( -1.026 0.000 2.561) 2.759 44.881 ( 0.887 0.000 -2.403) 2.561 44.950 ( -1.492 0.000 2.148) 2.615 45.007 ( 1.198 0.000 -2.742) 2.992 46.680 ( -1.099 0.000 2.244) 2.499 46.742 ( 3.528 0.000 -3.589) 5.033 47.254 ( -3.177 0.000 5.147) 6.048 47.353 ( 4.043 0.000 -3.971) 5.667 47.666 ( -5.194 0.000 1.112) 5.312 47.691 ( 6.076 0.000 -1.120) 6.178 48.126 ( 2.149 0.000 0.462) 2.199 48.146 ( -1.922 0.000 -1.379) 2.365 48.326 ( -18.917 0.000 3.473) 19.233 48.400 ( 11.414 0.000 -3.375) 11.903 49.602 ( -4.630 0.000 3.246) 5.655 49.670 ( 6.125 0.000 -3.105) 6.867 50.037 ( -10.208 0.000 4.128) 11.011 50.118 ( 14.919 0.000 -3.410) 15.304 52.144 ( -2.977 0.000 2.492) 3.883 52.198 ( 1.441 0.000 -2.408) 2.806 52.668 ( -0.550 0.000 2.018) 2.092 52.712 ( 0.560 0.000 -1.995) 2.072 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 4.095 0.000 -28.897) 29.186 1.611 ( 4.569 0.000 28.875) 29.234 2.467 ( -4.632 0.000 -42.384) 42.636 2.839 ( -1.485 0.000 36.858) 36.888 2.927 ( -12.178 0.000 -6.255) 13.690 3.112 ( -5.790 0.000 16.487) 17.475 3.399 ( -7.148 0.000 -15.608) 17.167 3.757 ( 3.797 0.000 17.031) 17.449 3.895 ( -10.018 0.000 24.040) 26.044 4.152 ( 4.511 0.000 41.982) 42.224 4.282 ( 6.609 0.000 -12.920) 14.512 4.313 ( 24.511 0.000 -50.295) 55.950 4.358 ( -7.834 0.000 12.211) 14.508 4.490 ( -16.325 0.000 20.217) 25.985 4.499 ( 14.132 0.000 -27.782) 31.170 4.565 ( -7.906 0.000 17.841) 19.514 4.744 ( -9.024 0.000 -7.956) 12.030 4.929 ( 8.818 0.000 -19.383) 21.295 5.063 ( 4.790 0.000 20.704) 21.251 5.079 ( -0.992 0.000 -11.417) 11.460 5.202 ( -4.674 0.000 4.376) 6.403 5.242 ( 13.469 0.000 -13.753) 19.250 5.307 ( 6.479 0.000 -6.878) 9.449 5.451 ( 5.091 0.000 -5.036) 7.161 5.676 ( -3.020 0.000 4.734) 5.615 5.800 ( 4.157 0.000 -4.687) 6.264 6.143 ( -7.787 0.000 8.621) 11.617 6.330 ( 5.835 0.000 -7.677) 9.643 6.882 ( -6.677 0.000 -7.864) 10.316 7.046 ( -13.380 0.000 -9.585) 16.460 7.123 ( 8.187 0.000 7.071) 10.818 7.326 ( -1.745 0.000 -3.528) 3.936 7.379 ( -0.076 0.000 6.368) 6.368 7.509 ( 9.995 0.000 6.731) 12.050 7.649 ( -1.274 0.000 -7.519) 7.626 7.783 ( 7.007 0.000 4.262) 8.201 7.989 ( -4.805 0.000 -6.756) 8.291 8.102 ( -0.625 0.000 5.034) 5.072 8.193 ( -8.183 0.000 -7.604) 11.170 8.258 ( -6.623 0.000 11.221) 13.030 8.434 ( -7.892 0.000 12.491) 14.775 8.678 ( 10.736 0.000 -9.967) 14.650 8.914 ( -11.425 0.000 10.328) 15.401 9.117 ( 2.984 0.000 -8.410) 8.924 9.196 ( -6.199 0.000 9.409) 11.268 9.462 ( 11.612 0.000 -6.079) 13.107 9.700 ( -5.605 0.000 11.713) 12.985 9.883 ( 8.929 0.000 -10.670) 13.913 12.222 ( -1.902 0.000 -8.230) 8.447 12.432 ( 9.423 0.000 7.940) 12.322 13.496 ( -1.481 0.000 -16.349) 16.416 13.591 ( -4.004 0.000 13.626) 14.202 13.856 ( -2.081 0.000 -7.428) 7.714 13.957 ( 7.018 0.000 14.799) 16.378 14.603 ( -0.821 0.000 -28.625) 28.637 14.722 ( 1.102 0.000 18.141) 18.174 16.200 ( -0.988 0.000 -11.917) 11.958 16.273 ( -1.033 0.000 17.947) 17.977 16.651 ( -5.472 0.000 -4.302) 6.960 16.729 ( -0.383 0.000 3.479) 3.500 17.440 ( -2.566 0.000 6.332) 6.832 17.771 ( 16.127 0.000 -2.631) 16.340 18.397 ( -7.067 0.000 -12.230) 14.125 18.541 ( -5.209 0.000 -4.224) 6.707 18.626 ( 5.572 0.000 8.447) 10.119 18.752 ( 3.547 0.000 3.241) 4.804 19.185 ( -13.735 0.000 -1.075) 13.777 19.437 ( -18.519 0.000 -0.859) 18.539 19.674 ( 15.786 0.000 2.862) 16.043 19.994 ( 16.926 0.000 -8.372) 18.883 20.534 ( -5.381 0.000 2.708) 6.024 20.905 ( 9.795 0.000 -4.960) 10.979 21.251 ( 13.154 0.000 1.089) 13.199 21.291 ( 1.694 0.000 8.025) 8.202 21.599 ( 9.193 0.000 -0.473) 9.205 21.679 ( 7.816 0.000 -0.085) 7.817 22.298 ( -22.054 0.000 1.629) 22.114 22.420 ( -6.459 0.000 8.012) 10.291 22.564 ( 2.744 0.000 -5.507) 6.153 22.831 ( -8.448 0.000 -3.044) 8.980 22.957 ( 10.598 0.000 3.894) 11.290 23.011 ( -1.667 0.000 3.652) 4.015 23.110 ( 11.024 0.000 -0.684) 11.045 23.152 ( 9.421 0.000 -1.761) 9.584 23.788 ( -11.999 0.000 11.131) 16.367 24.025 ( 4.828 0.000 -8.687) 9.938 24.595 ( -0.393 0.000 3.925) 3.944 24.624 ( 2.735 0.000 -1.752) 3.248 25.845 ( -3.146 0.000 -1.435) 3.458 25.954 ( 3.708 0.000 1.827) 4.134 26.275 ( -3.076 0.000 1.782) 3.555 26.342 ( 1.217 0.000 -3.549) 3.752 26.546 ( -1.096 0.000 0.565) 1.233 26.579 ( 0.787 0.000 0.126) 0.797 27.214 ( -2.047 0.000 -4.093) 4.576 27.288 ( 0.587 0.000 -0.067) 0.590 27.737 ( -8.574 0.000 2.097) 8.827 27.801 ( -0.667 0.000 4.153) 4.206 28.040 ( -9.642 0.000 -4.997) 10.860 28.238 ( -1.215 0.000 -1.284) 1.768 28.560 ( -5.414 0.000 -3.746) 6.584 28.660 ( -2.273 0.000 1.105) 2.527 28.728 ( -5.768 0.000 -13.383) 14.573 29.035 ( 8.620 0.000 4.212) 9.594 29.081 ( -2.641 0.000 8.685) 9.078 29.141 ( 1.550 0.000 -2.993) 3.371 29.358 ( -4.534 0.000 0.790) 4.603 29.441 ( 1.980 0.000 9.021) 9.236 29.799 ( -6.552 0.000 1.366) 6.693 29.990 ( -13.662 0.000 -1.220) 13.716 30.021 ( 7.979 0.000 0.533) 7.997 30.155 ( -1.717 0.000 -7.270) 7.470 30.413 ( 11.857 0.000 1.996) 12.024 30.445 ( 12.435 0.000 1.278) 12.501 30.632 ( -8.929 0.000 1.864) 9.122 30.878 ( 2.710 0.000 1.843) 3.278 31.052 ( 9.022 0.000 -1.073) 9.086 31.084 ( 4.862 0.000 -1.803) 5.185 31.753 ( -1.844 0.000 4.233) 4.617 31.858 ( 4.810 0.000 -6.728) 8.270 31.884 ( -8.555 0.000 3.571) 9.270 32.209 ( 12.072 0.000 3.306) 12.516 32.462 ( -7.562 0.000 8.123) 11.098 32.637 ( 6.138 0.000 -6.127) 8.673 33.925 ( -4.470 0.000 -6.372) 7.784 34.051 ( 0.820 0.000 5.385) 5.447 34.953 ( -2.643 0.000 -5.891) 6.457 35.009 ( -1.661 0.000 7.083) 7.275 37.496 ( -4.174 0.000 0.535) 4.209 37.628 ( 4.122 0.000 -0.362) 4.138 39.013 ( -2.067 0.000 -1.210) 2.395 39.081 ( 1.746 0.000 0.844) 1.940 40.625 ( 0.860 0.000 -3.917) 4.011 40.633 ( 0.746 0.000 3.809) 3.881 40.734 ( -5.138 0.000 -1.605) 5.383 40.870 ( 1.898 0.000 -1.498) 2.418 42.164 ( -9.341 0.000 -0.108) 9.342 42.270 ( -1.051 0.000 0.340) 1.105 42.389 ( -3.363 0.000 0.712) 3.438 42.535 ( 4.341 0.000 0.234) 4.347 43.740 ( 9.304 0.000 -1.089) 9.368 43.754 ( 8.998 0.000 1.645) 9.147 44.466 ( -2.802 0.000 1.943) 3.410 44.515 ( 1.176 0.000 -2.195) 2.491 44.666 ( -0.531 0.000 -1.459) 1.552 44.684 ( 0.033 0.000 1.270) 1.271 44.834 ( -2.113 0.000 2.873) 3.566 44.845 ( -1.266 0.000 -2.285) 2.612 44.958 ( -1.756 0.000 2.424) 2.993 44.987 ( 0.529 0.000 -2.366) 2.424 46.665 ( -3.246 0.000 0.399) 3.270 46.702 ( -2.836 0.000 -3.439) 4.457 47.178 ( -12.241 0.000 6.311) 13.772 47.310 ( -1.192 0.000 -5.786) 5.908 47.578 ( -7.693 0.000 0.809) 7.736 47.757 ( 4.850 0.000 -2.266) 5.353 48.059 ( -5.902 0.000 -2.163) 6.286 48.105 ( -3.701 0.000 5.223) 6.401 48.256 ( -2.184 0.000 0.976) 2.392 48.604 ( 13.002 0.000 3.376) 13.433 49.595 ( -0.570 0.000 2.266) 2.337 49.738 ( 7.990 0.000 -4.454) 9.147 49.939 ( -5.495 0.000 1.287) 5.644 50.248 ( 10.115 0.000 -6.035) 11.778 52.183 ( 2.777 0.000 2.209) 3.549 52.233 ( 5.920 0.000 -0.362) 5.931 52.691 ( 0.177 0.000 2.045) 2.052 52.702 ( 1.346 0.000 -2.036) 2.441 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 14.409 0.000 -19.121) 23.943 1.964 ( 14.629 0.000 3.417) 15.022 2.166 ( 12.203 0.000 -10.120) 15.853 2.668 ( -13.367 0.000 -1.894) 13.501 3.013 ( -7.003 0.000 10.032) 12.235 3.237 ( 5.068 0.000 -6.095) 7.926 3.362 ( -13.023 0.000 39.736) 41.816 3.742 ( -26.735 0.000 14.264) 30.302 3.951 ( -4.728 0.000 11.517) 12.450 4.069 ( 20.781 0.000 -42.418) 47.235 4.179 ( 13.126 0.000 -28.594) 31.463 4.232 ( -11.491 0.000 1.181) 11.551 4.400 ( -14.934 0.000 19.417) 24.495 4.437 ( 9.852 0.000 -21.069) 23.258 4.475 ( -7.583 0.000 -6.495) 9.984 4.693 ( -3.732 0.000 14.114) 14.599 4.827 ( 1.108 0.000 -14.484) 14.526 4.898 ( 10.181 0.000 -12.471) 16.099 5.005 ( -8.199 0.000 -8.433) 11.761 5.077 ( 12.839 0.000 37.851) 39.969 5.311 ( 8.420 0.000 -9.810) 12.928 5.410 ( 1.615 0.000 -5.966) 6.181 5.411 ( 18.844 0.000 -9.295) 21.012 5.465 ( 7.354 0.000 16.781) 18.321 5.719 ( -3.683 0.000 9.307) 10.009 5.791 ( -3.109 0.000 -1.187) 3.328 6.116 ( -8.412 0.000 6.678) 10.740 6.316 ( 5.607 0.000 -8.046) 9.807 6.646 ( -14.873 0.000 -4.472) 15.531 6.817 ( -2.223 0.000 -2.625) 3.440 7.253 ( 0.769 0.000 -1.994) 2.137 7.327 ( 3.937 0.000 4.530) 6.001 7.435 ( -2.239 0.000 4.086) 4.659 7.564 ( -0.791 0.000 -1.926) 2.082 7.673 ( 1.814 0.000 6.069) 6.335 7.859 ( -1.525 0.000 -4.144) 4.416 7.899 ( 3.548 0.000 0.000) 3.548 8.017 ( -3.932 0.000 -2.799) 4.827 8.123 ( -6.260 0.000 7.460) 9.739 8.309 ( -5.436 0.000 11.135) 12.391 8.433 ( -7.214 0.000 5.950) 9.351 8.722 ( 11.100 0.000 -11.210) 15.776 8.822 ( -13.115 0.000 6.534) 14.653 9.060 ( 3.731 0.000 -9.214) 9.940 9.261 ( -0.844 0.000 10.012) 10.048 9.578 ( 12.452 0.000 -5.301) 13.533 9.744 ( -6.673 0.000 9.978) 12.004 9.889 ( 9.711 0.000 -11.869) 15.336 12.157 ( 3.314 0.000 -3.263) 4.651 12.668 ( 9.108 0.000 6.701) 11.307 13.348 ( 5.661 0.000 -12.128) 13.385 13.566 ( -12.596 0.000 4.826) 13.489 13.708 ( -3.356 0.000 -9.275) 9.864 14.154 ( 4.500 0.000 -28.224) 28.580 14.381 ( 5.472 0.000 14.089) 15.115 14.832 ( -5.473 0.000 4.545) 7.114 16.164 ( 4.370 0.000 3.435) 5.558 16.430 ( -10.843 0.000 16.824) 20.016 16.597 ( 2.046 0.000 6.494) 6.808 16.790 ( -1.967 0.000 8.746) 8.965 17.590 ( 3.465 0.000 12.476) 12.948 17.951 ( 11.686 0.000 -4.248) 12.434 18.139 ( -4.674 0.000 -10.332) 11.340 18.475 ( 1.557 0.000 -2.953) 3.338 18.677 ( -5.447 0.000 -10.613) 11.929 18.776 ( 1.603 0.000 5.710) 5.931 19.065 ( -5.444 0.000 4.052) 6.787 19.099 ( -17.847 0.000 -6.600) 19.028 19.913 ( 12.710 0.000 -1.216) 12.768 19.988 ( 7.326 0.000 -18.520) 19.916 20.679 ( 11.497 0.000 10.589) 15.631 20.929 ( 2.575 0.000 -1.977) 3.246 21.264 ( -11.532 0.000 3.153) 11.955 21.610 ( 21.038 0.000 3.415) 21.313 21.835 ( 10.123 0.000 4.128) 10.932 21.863 ( 18.521 0.000 0.417) 18.526 22.111 ( -10.915 0.000 12.845) 16.856 22.383 ( -7.407 0.000 3.846) 8.346 22.515 ( -1.203 0.000 -5.039) 5.181 22.707 ( -2.583 0.000 -1.210) 2.853 23.045 ( 0.228 0.000 3.661) 3.669 23.047 ( 3.147 0.000 -0.774) 3.241 23.164 ( 1.553 0.000 -3.984) 4.276 23.375 ( 9.517 0.000 1.763) 9.679 23.747 ( -12.190 0.000 13.086) 17.883 24.023 ( 5.643 0.000 -0.833) 5.704 24.646 ( -0.843 0.000 5.306) 5.372 24.668 ( 3.669 0.000 -0.193) 3.674 25.782 ( -2.862 0.000 -1.396) 3.185 26.010 ( 2.698 0.000 -1.840) 3.266 26.255 ( -2.723 0.000 2.429) 3.649 26.307 ( -0.281 0.000 -2.211) 2.229 26.545 ( -0.284 0.000 0.753) 0.805 26.584 ( 0.326 0.000 -0.809) 0.872 27.147 ( -1.565 0.000 -4.674) 4.929 27.188 ( -6.033 0.000 -9.161) 10.969 27.448 ( -17.744 0.000 -13.480) 22.284 27.827 ( -2.248 0.000 1.722) 2.832 27.927 ( 1.288 0.000 -1.251) 1.796 28.185 ( -3.619 0.000 -1.053) 3.770 28.431 ( -3.064 0.000 -4.775) 5.674 28.515 ( -0.598 0.000 -10.855) 10.872 28.563 ( -6.454 0.000 -2.235) 6.830 29.148 ( 1.240 0.000 0.647) 1.398 29.158 ( -0.962 0.000 4.647) 4.746 29.169 ( -3.321 0.000 10.081) 10.614 29.384 ( -1.085 0.000 9.856) 9.916 29.628 ( 3.939 0.000 10.672) 11.376 29.726 ( -4.849 0.000 1.435) 5.057 29.856 ( -6.331 0.000 7.951) 10.164 30.047 ( 1.774 0.000 -6.607) 6.841 30.158 ( 7.026 0.000 -0.542) 7.047 30.486 ( -2.206 0.000 -2.674) 3.467 30.584 ( 8.023 0.000 -0.101) 8.023 30.689 ( 5.002 0.000 7.192) 8.760 30.911 ( 1.786 0.000 -2.220) 2.849 31.125 ( 2.933 0.000 -2.021) 3.562 31.176 ( 10.303 0.000 -4.398) 11.203 31.791 ( 1.547 0.000 3.151) 3.510 31.827 ( 4.937 0.000 -9.611) 10.805 31.831 ( -7.455 0.000 6.516) 9.902 32.369 ( 4.417 0.000 -2.941) 5.307 32.461 ( -7.810 0.000 11.714) 14.079 32.743 ( 10.088 0.000 5.361) 11.424 33.808 ( -1.236 0.000 -4.275) 4.450 34.079 ( -3.316 0.000 2.453) 4.125 34.849 ( -1.454 0.000 -6.123) 6.294 34.994 ( -6.544 0.000 -0.457) 6.560 37.456 ( -2.856 0.000 2.063) 3.523 37.673 ( 2.850 0.000 -1.530) 3.235 38.974 ( -1.136 0.000 -0.862) 1.426 39.097 ( 0.609 0.000 -1.357) 1.487 40.605 ( 1.359 0.000 -2.128) 2.524 40.654 ( -0.790 0.000 -1.650) 1.830 40.696 ( 1.008 0.000 3.956) 4.083 40.867 ( -0.694 0.000 -0.373) 0.787 42.031 ( -8.182 0.000 1.445) 8.309 42.256 ( -0.880 0.000 0.096) 0.885 42.341 ( -3.016 0.000 -0.462) 3.051 42.545 ( 0.466 0.000 -5.167) 5.188 43.895 ( 12.728 0.000 -1.999) 12.884 43.978 ( 11.417 0.000 7.485) 13.652 44.431 ( -4.287 0.000 1.346) 4.493 44.501 ( 1.028 0.000 -2.586) 2.783 44.642 ( -0.321 0.000 -1.282) 1.322 44.695 ( -0.968 0.000 1.740) 1.992 44.803 ( -1.449 0.000 -0.528) 1.542 44.832 ( -2.205 0.000 2.236) 3.140 44.943 ( -2.875 0.000 0.667) 2.951 44.967 ( 0.169 0.000 -1.846) 1.854 46.579 ( -9.171 0.000 -0.517) 9.186 46.587 ( -2.338 0.000 -5.555) 6.027 47.117 ( -5.882 0.000 6.998) 9.141 47.218 ( 0.854 0.000 -6.763) 6.817 47.457 ( -9.854 0.000 1.598) 9.982 47.746 ( 0.465 0.000 -7.580) 7.594 47.972 ( -1.781 0.000 0.081) 1.783 48.135 ( -0.891 0.000 1.726) 1.942 48.234 ( -2.223 0.000 3.813) 4.414 48.768 ( -1.085 0.000 5.061) 5.176 49.636 ( 2.166 0.000 1.925) 2.897 49.800 ( 7.394 0.000 -4.162) 8.485 49.945 ( 4.370 0.000 1.547) 4.636 50.300 ( 6.267 0.000 -5.069) 8.061 52.259 ( 4.000 0.000 1.311) 4.210 52.357 ( 6.104 0.000 3.536) 7.054 52.706 ( 2.241 0.000 -1.399) 2.642 52.721 ( 0.324 0.000 1.959) 1.986 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 23.081 0.000 -6.362) 23.942 2.135 ( -17.191 0.000 0.419) 17.196 2.411 ( 41.753 0.000 2.199) 41.810 2.661 ( 5.120 0.000 12.287) 13.311 3.014 ( -6.860 0.000 8.735) 11.106 3.332 ( -39.814 0.000 23.160) 46.060 3.406 ( 16.095 0.000 5.458) 16.995 3.700 ( -10.796 0.000 21.784) 24.313 3.894 ( 15.514 0.000 -30.165) 33.921 3.964 ( -6.922 0.000 3.581) 7.793 4.018 ( 7.597 0.000 -21.438) 22.745 4.048 ( -15.097 0.000 3.444) 15.484 4.272 ( 2.109 0.000 -16.568) 16.702 4.378 ( -15.672 0.000 15.639) 22.140 4.405 ( 15.324 0.000 -12.548) 19.806 4.684 ( -14.456 0.000 -11.496) 18.469 4.753 ( -8.030 0.000 8.142) 11.436 4.821 ( 13.791 0.000 -9.380) 16.679 4.956 ( 17.204 0.000 -11.868) 20.900 5.084 ( -15.121 0.000 -7.748) 16.990 5.265 ( 7.299 0.000 -16.610) 18.143 5.496 ( -16.392 0.000 -2.666) 16.608 5.577 ( 16.660 0.000 -8.754) 18.820 5.711 ( 6.820 0.000 7.679) 10.270 5.739 ( -0.546 0.000 2.292) 2.356 5.786 ( -4.980 0.000 12.709) 13.650 6.039 ( -9.963 0.000 3.356) 10.513 6.289 ( 4.501 0.000 -10.094) 11.052 6.549 ( 4.583 0.000 13.408) 14.170 6.948 ( 8.811 0.000 13.911) 16.467 7.240 ( 0.297 0.000 -0.547) 0.623 7.392 ( 0.989 0.000 -1.493) 1.790 7.397 ( -3.721 0.000 -1.134) 3.890 7.601 ( 0.745 0.000 7.030) 7.069 7.713 ( -3.259 0.000 1.012) 3.412 7.884 ( 6.926 0.000 0.762) 6.968 7.915 ( -0.842 0.000 0.628) 1.050 8.013 ( 1.881 0.000 3.470) 3.947 8.116 ( -7.214 0.000 9.032) 11.560 8.295 ( -13.885 0.000 9.161) 16.634 8.379 ( -2.060 0.000 -2.658) 3.363 8.712 ( -11.922 0.000 7.728) 14.208 8.714 ( 8.069 0.000 -14.359) 16.471 9.005 ( 5.110 0.000 -10.561) 11.732 9.403 ( 1.395 0.000 11.090) 11.177 9.696 ( 10.193 0.000 -4.431) 11.114 9.732 ( -9.967 0.000 8.805) 13.299 9.879 ( 8.650 0.000 -12.674) 15.344 12.256 ( 8.418 0.000 4.882) 9.731 12.875 ( 7.916 0.000 5.923) 9.886 13.322 ( -16.628 0.000 -8.274) 18.573 13.365 ( 11.118 0.000 -7.361) 13.334 13.536 ( -2.839 0.000 -10.405) 10.785 13.812 ( -5.870 0.000 -18.104) 19.032 14.652 ( 7.861 0.000 5.448) 9.564 14.739 ( -7.284 0.000 0.185) 7.286 16.369 ( 9.647 0.000 8.977) 13.178 16.503 ( -5.629 0.000 19.000) 19.816 16.735 ( -0.838 0.000 9.760) 9.796 16.869 ( -4.949 0.000 12.034) 13.012 17.690 ( -7.430 0.000 7.368) 10.463 18.004 ( 4.551 0.000 -6.954) 8.311 18.144 ( 10.221 0.000 3.896) 10.938 18.458 ( 1.114 0.000 -16.542) 16.579 18.471 ( 0.474 0.000 -4.199) 4.225 18.780 ( -5.917 0.000 -0.311) 5.926 18.812 ( -6.092 0.000 -4.589) 7.627 19.027 ( -5.301 0.000 1.137) 5.422 19.875 ( 4.565 0.000 -11.954) 12.796 20.003 ( 4.261 0.000 -5.376) 6.860 20.960 ( 3.075 0.000 0.040) 3.076 21.040 ( 14.220 0.000 6.665) 15.705 21.119 ( -9.322 0.000 8.847) 12.852 21.836 ( 8.720 0.000 -2.769) 9.149 22.015 ( 7.844 0.000 -1.994) 8.093 22.018 ( 1.659 0.000 3.938) 4.274 22.295 ( -7.664 0.000 20.781) 22.149 22.305 ( -5.822 0.000 0.824) 5.880 22.434 ( 8.174 0.000 -6.800) 10.633 22.744 ( 3.864 0.000 4.706) 6.090 23.070 ( -2.407 0.000 -7.907) 8.265 23.098 ( 4.416 0.000 -1.796) 4.768 23.112 ( 2.384 0.000 4.089) 4.733 23.393 ( -2.439 0.000 -4.543) 5.156 23.761 ( -10.043 0.000 17.939) 20.559 24.181 ( 1.521 0.000 12.062) 12.157 24.691 ( -1.716 0.000 4.857) 5.151 24.708 ( 2.257 0.000 -1.068) 2.496 25.719 ( -1.629 0.000 -3.009) 3.422 25.968 ( -1.079 0.000 -6.919) 7.002 26.249 ( -0.758 0.000 0.660) 1.005 26.295 ( 0.663 0.000 -1.001) 1.201 26.552 ( -0.011 0.000 0.653) 0.653 26.573 ( 1.051 0.000 -2.145) 2.389 26.843 ( -6.024 0.000 -22.805) 23.587 26.916 ( -9.853 0.000 -13.171) 16.448 27.287 ( 5.334 0.000 -1.236) 5.476 27.733 ( -7.874 0.000 -4.483) 9.061 27.951 ( 0.618 0.000 1.526) 1.647 28.122 ( -2.102 0.000 -1.763) 2.744 28.416 ( -1.196 0.000 -3.824) 4.007 28.447 ( -5.318 0.000 -1.550) 5.539 28.450 ( 10.516 0.000 -0.259) 10.519 29.049 ( -13.171 0.000 0.272) 13.174 29.198 ( -3.175 0.000 6.179) 6.947 29.238 ( 2.929 0.000 0.682) 3.007 29.550 ( 1.901 0.000 14.054) 14.182 29.677 ( -5.018 0.000 5.857) 7.712 29.805 ( 5.217 0.000 5.525) 7.598 29.995 ( -1.301 0.000 18.851) 18.896 30.020 ( 5.078 0.000 -5.870) 7.761 30.238 ( 2.731 0.000 0.778) 2.840 30.447 ( 0.674 0.000 -1.227) 1.400 30.616 ( -0.062 0.000 -5.823) 5.823 30.820 ( 1.635 0.000 5.111) 5.366 30.903 ( 3.312 0.000 -3.694) 4.961 31.117 ( -0.008 0.000 -2.484) 2.484 31.237 ( 7.213 0.000 -7.715) 10.562 31.752 ( -8.770 0.000 2.982) 9.263 31.789 ( 6.579 0.000 -10.185) 12.125 31.915 ( 4.109 0.000 6.427) 7.628 32.307 ( -2.017 0.000 -7.087) 7.369 32.542 ( -5.033 0.000 18.090) 18.777 32.970 ( 5.266 0.000 7.142) 8.874 33.796 ( 3.410 0.000 -0.521) 3.450 34.021 ( -5.628 0.000 -0.091) 5.629 34.757 ( -0.417 0.000 -6.370) 6.383 34.826 ( -5.762 0.000 -8.427) 10.209 37.464 ( -1.098 0.000 4.003) 4.151 37.671 ( 1.029 0.000 -3.468) 3.617 38.962 ( -0.023 0.000 0.273) 0.274 39.071 ( -0.059 0.000 -3.044) 3.044 40.632 ( 3.876 0.000 0.674) 3.934 40.679 ( 2.984 0.000 1.414) 3.302 40.751 ( 0.347 0.000 2.811) 2.832 40.837 ( -2.901 0.000 -0.177) 2.906 41.968 ( -4.136 0.000 4.188) 5.885 42.241 ( -1.063 0.000 -0.584) 1.213 42.294 ( -1.818 0.000 -0.831) 1.999 42.435 ( -1.517 0.000 -10.008) 10.122 44.066 ( 12.536 0.000 -1.963) 12.689 44.204 ( 1.753 0.000 7.935) 8.126 44.387 ( -2.656 0.000 2.219) 3.461 44.485 ( 1.008 0.000 -2.526) 2.719 44.636 ( 1.587 0.000 -0.238) 1.605 44.699 ( -1.881 0.000 2.625) 3.229 44.790 ( -0.459 0.000 0.331) 0.565 44.818 ( -2.093 0.000 0.523) 2.157 44.897 ( -2.545 0.000 -0.397) 2.576 44.947 ( 0.412 0.000 -2.077) 2.117 46.437 ( -10.424 0.000 2.518) 10.723 46.493 ( 3.242 0.000 -9.374) 9.919 47.161 ( 0.598 0.000 6.040) 6.070 47.191 ( 4.113 0.000 -3.874) 5.650 47.325 ( -10.797 0.000 2.941) 11.191 47.618 ( -1.106 0.000 -10.322) 10.381 47.989 ( 1.983 0.000 0.646) 2.085 48.092 ( -3.274 0.000 -1.145) 3.468 48.312 ( 1.908 0.000 7.198) 7.447 48.711 ( -7.306 0.000 -0.910) 7.363 49.695 ( 1.842 0.000 2.193) 2.864 49.836 ( 3.773 0.000 -4.426) 5.816 50.082 ( 5.032 0.000 6.023) 7.849 50.323 ( 4.237 0.000 -4.179) 5.951 52.334 ( 3.970 0.000 1.161) 4.136 52.446 ( -0.287 0.000 2.413) 2.430 52.740 ( 2.791 0.000 0.245) 2.802 52.745 ( -0.280 0.000 1.879) 1.899 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -25.220 0.000 -0.345) 25.222 1.803 ( 24.728 0.000 -0.881) 24.744 2.907 ( 4.490 0.000 12.548) 13.327 2.975 ( -44.273 0.000 24.429) 50.566 3.023 ( -5.351 0.000 6.873) 8.710 3.169 ( 43.155 0.000 8.328) 43.951 3.657 ( -23.799 0.000 -1.967) 23.880 3.725 ( -17.413 0.000 -2.174) 17.549 3.750 ( 15.121 0.000 0.847) 15.144 3.844 ( 15.249 0.000 -11.915) 19.352 3.859 ( -10.770 0.000 2.783) 11.124 3.941 ( 10.286 0.000 -10.323) 14.573 4.203 ( 9.636 0.000 -4.652) 10.700 4.259 ( -20.936 0.000 -7.076) 22.099 4.442 ( -9.658 0.000 15.778) 18.499 4.549 ( -24.632 0.000 6.645) 25.512 4.594 ( 26.570 0.000 -11.857) 29.096 4.849 ( -8.707 0.000 2.676) 9.109 4.930 ( 16.561 0.000 -13.608) 21.435 5.090 ( 18.412 0.000 -20.163) 27.305 5.163 ( -14.658 0.000 -3.704) 15.119 5.196 ( 14.120 0.000 -8.494) 16.478 5.604 ( -11.253 0.000 0.792) 11.281 5.697 ( 12.788 0.000 -7.514) 14.832 5.875 ( -7.552 0.000 8.768) 11.572 5.913 ( 12.095 0.000 -0.403) 12.102 5.914 ( -7.433 0.000 6.951) 10.177 6.205 ( 3.786 0.000 -13.149) 13.683 6.939 ( 11.700 0.000 17.217) 20.817 7.207 ( -3.377 0.000 -6.071) 6.947 7.292 ( 2.089 0.000 12.606) 12.778 7.348 ( 5.009 0.000 3.294) 5.996 7.350 ( 0.897 0.000 -3.527) 3.639 7.575 ( -8.684 0.000 -8.021) 11.822 7.726 ( 2.731 0.000 7.877) 8.337 7.876 ( -2.748 0.000 -3.615) 4.541 8.047 ( 9.972 0.000 3.143) 10.456 8.094 ( -7.983 0.000 -0.074) 7.983 8.128 ( 4.517 0.000 6.088) 7.580 8.208 ( -9.775 0.000 11.797) 15.321 8.290 ( -5.993 0.000 0.826) 6.050 8.624 ( 6.142 0.000 -16.795) 17.883 8.664 ( -11.323 0.000 13.416) 17.555 8.959 ( 6.477 0.000 -10.950) 12.723 9.543 ( -1.672 0.000 11.027) 11.153 9.661 ( -13.359 0.000 8.835) 16.016 9.742 ( 2.420 0.000 -6.142) 6.602 9.862 ( 9.780 0.000 -10.834) 14.596 12.524 ( 10.551 0.000 14.058) 17.577 12.874 ( -15.574 0.000 -15.834) 22.209 13.085 ( 4.299 0.000 7.189) 8.376 13.314 ( -2.136 0.000 -13.194) 13.366 13.529 ( 12.401 0.000 -2.341) 12.620 13.539 ( -11.197 0.000 -5.706) 12.567 14.671 ( -3.995 0.000 3.186) 5.110 14.752 ( 5.661 0.000 -3.768) 6.801 16.596 ( -9.996 0.000 8.901) 13.385 16.615 ( 10.248 0.000 4.751) 11.296 16.887 ( 7.646 0.000 10.201) 12.748 16.918 ( -5.700 0.000 8.040) 9.856 17.688 ( -6.276 0.000 12.788) 14.245 17.958 ( 4.492 0.000 -9.781) 10.763 18.231 ( -5.152 0.000 -5.256) 7.360 18.323 ( 6.262 0.000 -14.345) 15.652 18.490 ( 8.861 0.000 6.075) 10.743 18.620 ( -8.764 0.000 -5.356) 10.271 18.857 ( 9.746 0.000 1.780) 9.908 18.906 ( -8.800 0.000 -2.657) 9.193 19.855 ( 2.678 0.000 -1.159) 2.918 19.926 ( -3.928 0.000 -6.231) 7.366 20.996 ( -6.173 0.000 2.459) 6.645 21.026 ( 5.810 0.000 -0.155) 5.812 21.460 ( 12.599 0.000 14.003) 18.836 21.737 ( -10.540 0.000 -11.611) 15.681 22.030 ( -4.948 0.000 4.826) 6.912 22.130 ( 10.310 0.000 -2.413) 10.588 22.208 ( -13.057 0.000 4.754) 13.896 22.251 ( -1.161 0.000 0.531) 1.276 22.659 ( 10.119 0.000 7.129) 12.379 22.889 ( -3.119 0.000 -12.698) 13.076 22.901 ( 2.884 0.000 9.635) 10.057 23.115 ( 2.291 0.000 -7.962) 8.285 23.219 ( 5.444 0.000 3.280) 6.356 23.269 ( -5.305 0.000 -3.246) 6.220 23.928 ( -2.204 0.000 26.496) 26.587 24.229 ( -6.194 0.000 0.359) 6.205 24.709 ( -2.360 0.000 2.883) 3.726 24.730 ( 2.482 0.000 -0.271) 2.497 25.708 ( 4.306 0.000 -0.094) 4.307 25.824 ( -3.474 0.000 -10.217) 10.791 26.254 ( 2.225 0.000 -1.201) 2.528 26.258 ( -2.993 0.000 -4.130) 5.101 26.561 ( -0.542 0.000 0.996) 1.134 26.577 ( 0.678 0.000 -0.733) 0.998 26.629 ( -7.521 0.000 -7.956) 10.948 26.650 ( 8.058 0.000 -10.677) 13.377 27.409 ( 7.701 0.000 3.774) 8.576 27.520 ( -9.513 0.000 -6.425) 11.479 28.001 ( 2.866 0.000 2.488) 3.795 28.059 ( -2.727 0.000 -2.859) 3.951 28.375 ( -2.118 0.000 -0.547) 2.188 28.383 ( 1.089 0.000 -1.096) 1.545 28.697 ( 16.764 0.000 3.972) 17.228 28.796 ( -15.270 0.000 -4.500) 15.919 29.211 ( -3.888 0.000 4.927) 6.276 29.281 ( 3.670 0.000 -1.772) 4.075 29.690 ( -4.624 0.000 7.700) 8.982 29.710 ( 0.051 0.000 7.364) 7.364 29.944 ( 3.426 0.000 4.426) 5.597 30.034 ( 3.070 0.000 -5.210) 6.047 30.188 ( -3.638 0.000 16.487) 16.884 30.299 ( 3.718 0.000 4.883) 6.137 30.450 ( 3.459 0.000 -5.642) 6.618 30.477 ( -2.109 0.000 -10.433) 10.644 30.861 ( -3.497 0.000 3.928) 5.259 30.916 ( 1.265 0.000 -1.174) 1.726 31.085 ( -1.818 0.000 0.643) 1.928 31.210 ( 3.805 0.000 -9.674) 10.395 31.653 ( -8.669 0.000 3.797) 9.465 31.788 ( 8.380 0.000 -8.397) 11.863 32.056 ( 4.321 0.000 5.511) 7.003 32.171 ( -4.549 0.000 -6.004) 7.533 32.743 ( -1.511 0.000 21.183) 21.237 33.024 ( -0.552 0.000 -4.062) 4.100 33.882 ( 6.158 0.000 1.673) 6.382 33.919 ( -5.905 0.000 -1.741) 6.156 34.679 ( -1.487 0.000 -5.076) 5.289 34.682 ( 0.049 0.000 -4.979) 4.980 37.515 ( 0.042 0.000 5.172) 5.172 37.625 ( -0.078 0.000 -4.859) 4.860 38.977 ( 0.448 0.000 1.507) 1.572 39.028 ( -0.512 0.000 -3.079) 3.121 40.722 ( 4.747 0.000 2.178) 5.223 40.751 ( 2.795 0.000 2.213) 3.565 40.755 ( -2.970 0.000 -0.669) 3.044 40.779 ( -3.152 0.000 -0.368) 3.173 42.014 ( 0.339 0.000 7.855) 7.862 42.191 ( -1.191 0.000 -5.668) 5.792 42.272 ( -0.130 0.000 -0.326) 0.351 42.305 ( -0.327 0.000 -6.085) 6.093 44.181 ( -9.321 0.000 2.200) 9.577 44.219 ( 10.140 0.000 -1.571) 10.261 44.417 ( -0.355 0.000 3.012) 3.033 44.471 ( 1.051 0.000 -2.265) 2.497 44.701 ( -2.956 0.000 3.196) 4.353 44.702 ( 3.941 0.000 2.980) 4.940 44.779 ( 0.134 0.000 -1.973) 1.977 44.780 ( -1.561 0.000 -1.526) 2.183 44.879 ( -0.548 0.000 1.599) 1.690 44.932 ( 1.752 0.000 -2.964) 3.443 46.329 ( -9.681 0.000 4.760) 10.788 46.467 ( 6.692 0.000 -7.297) 9.901 47.195 ( -8.016 0.000 2.046) 8.273 47.231 ( 4.466 0.000 -1.366) 4.670 47.284 ( 2.275 0.000 7.565) 7.900 47.488 ( 2.346 0.000 -11.243) 11.485 48.031 ( 2.682 0.000 0.216) 2.691 48.033 ( -3.117 0.000 -0.343) 3.136 48.449 ( 4.264 0.000 7.376) 8.520 48.577 ( -5.096 0.000 -4.396) 6.730 49.737 ( -0.625 0.000 2.930) 2.996 49.813 ( 0.473 0.000 -4.136) 4.163 50.196 ( -0.157 0.000 5.939) 5.941 50.320 ( 2.611 0.000 -5.268) 5.880 52.409 ( 3.848 0.000 1.303) 4.063 52.423 ( -3.638 0.000 -0.008) 3.638 52.756 ( -1.317 0.000 1.708) 2.157 52.775 ( 1.288 0.000 -0.085) 1.291 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -28.006 0.000 1.481) 28.045 2.141 ( 17.757 0.000 -0.995) 17.785 2.497 ( -46.075 0.000 4.076) 46.255 2.976 ( -1.769 0.000 -9.890) 10.047 3.037 ( -49.504 0.000 23.958) 54.996 3.066 ( 3.124 0.000 4.236) 5.264 3.583 ( -17.523 0.000 -4.199) 18.019 3.677 ( -11.541 0.000 7.679) 13.862 3.788 ( 34.632 0.000 -14.091) 37.389 3.899 ( 11.928 0.000 1.368) 12.006 3.931 ( -13.530 0.000 8.140) 15.790 3.982 ( 14.590 0.000 -5.072) 15.447 4.101 ( 15.207 0.000 4.937) 15.988 4.287 ( -14.764 0.000 7.953) 16.770 4.487 ( 18.051 0.000 7.887) 19.699 4.545 ( -16.544 0.000 20.999) 26.733 4.780 ( 15.195 0.000 -18.362) 23.834 4.781 ( -5.883 0.000 3.626) 6.911 4.928 ( 13.299 0.000 -15.110) 20.129 5.039 ( 0.347 0.000 1.550) 1.589 5.143 ( 18.394 0.000 -12.525) 22.253 5.457 ( 19.145 0.000 -2.804) 19.349 5.463 ( -8.820 0.000 0.850) 8.861 5.728 ( -6.076 0.000 0.660) 6.111 5.845 ( 14.457 0.000 -4.495) 15.140 6.026 ( -2.612 0.000 13.594) 13.843 6.079 ( 9.679 0.000 -4.876) 10.838 6.100 ( 5.447 0.000 -9.956) 11.349 6.941 ( -8.247 0.000 -19.102) 20.806 7.207 ( 2.876 0.000 5.195) 5.938 7.263 ( -10.773 0.000 -12.740) 16.684 7.290 ( -1.727 0.000 5.038) 5.326 7.390 ( 3.203 0.000 -1.264) 3.443 7.608 ( 4.471 0.000 9.913) 10.875 7.759 ( -3.006 0.000 -6.778) 7.414 7.851 ( 2.093 0.000 4.848) 5.281 7.927 ( -9.098 0.000 -2.404) 9.410 8.115 ( -4.261 0.000 -5.624) 7.056 8.219 ( 8.031 0.000 0.550) 8.050 8.280 ( 5.514 0.000 4.748) 7.277 8.348 ( -8.592 0.000 19.699) 21.492 8.531 ( 8.388 0.000 -13.648) 16.020 8.690 ( -10.584 0.000 17.585) 20.524 8.945 ( 8.970 0.000 -9.775) 13.267 9.549 ( -15.989 0.000 9.672) 18.687 9.614 ( -6.597 0.000 10.856) 12.703 9.633 ( -2.131 0.000 -9.801) 10.030 9.898 ( 8.075 0.000 -6.986) 10.677 12.448 ( -14.524 0.000 -12.561) 19.202 12.872 ( 4.828 0.000 16.824) 17.503 13.133 ( 0.814 0.000 -8.237) 8.277 13.202 ( -7.386 0.000 7.582) 10.585 13.381 ( -0.925 0.000 2.265) 2.447 13.701 ( 11.440 0.000 -0.921) 11.477 14.673 ( -1.758 0.000 2.400) 2.974 14.786 ( 6.634 0.000 -4.419) 7.971 16.470 ( -11.170 0.000 -0.334) 11.175 16.769 ( 5.798 0.000 -2.507) 6.317 16.872 ( -1.967 0.000 -3.706) 4.196 17.091 ( 9.210 0.000 -3.210) 9.753 17.841 ( 2.753 0.000 14.525) 14.784 17.928 ( 9.553 0.000 -12.176) 15.477 18.095 ( -9.227 0.000 6.447) 11.256 18.253 ( -4.758 0.000 -6.483) 8.042 18.452 ( -0.284 0.000 -5.012) 5.020 18.713 ( 8.773 0.000 5.301) 10.250 18.763 ( -3.260 0.000 -0.431) 3.289 19.033 ( 9.090 0.000 0.536) 9.106 19.777 ( -7.564 0.000 -1.420) 7.696 19.888 ( -2.390 0.000 4.405) 5.012 20.952 ( -3.180 0.000 1.197) 3.398 21.128 ( 7.285 0.000 -2.694) 7.767 21.352 ( -15.630 0.000 -11.385) 19.337 21.715 ( -0.629 0.000 8.647) 8.670 21.968 ( -7.758 0.000 2.111) 8.040 22.073 ( -6.960 0.000 1.058) 7.040 22.271 ( -4.232 0.000 6.131) 7.449 22.284 ( 9.239 0.000 0.776) 9.272 22.701 ( 2.095 0.000 -14.105) 14.259 22.877 ( 6.678 0.000 7.743) 10.225 22.946 ( -4.226 0.000 -14.295) 14.907 23.013 ( -1.879 0.000 6.716) 6.974 23.180 ( -2.867 0.000 -2.337) 3.698 23.341 ( 6.194 0.000 1.464) 6.364 24.095 ( 0.485 0.000 -10.815) 10.825 24.328 ( 12.368 0.000 17.170) 21.161 24.682 ( -3.202 0.000 -0.552) 3.249 24.761 ( 2.015 0.000 -1.195) 2.343 25.645 ( -4.666 0.000 -3.355) 5.747 25.824 ( 4.692 0.000 5.262) 7.050 26.129 ( -9.320 0.000 4.664) 10.422 26.276 ( 0.876 0.000 0.234) 0.906 26.498 ( -2.414 0.000 -0.319) 2.435 26.560 ( -0.668 0.000 -0.365) 0.762 26.593 ( 0.978 0.000 2.107) 2.323 26.776 ( 14.222 0.000 -0.415) 14.228 27.314 ( -8.877 0.000 -3.612) 9.584 27.604 ( 8.918 0.000 6.492) 11.031 27.990 ( -1.179 0.000 -2.118) 2.424 28.079 ( 2.827 0.000 2.279) 3.631 28.357 ( -1.726 0.000 0.676) 1.854 28.430 ( 5.433 0.000 0.434) 5.450 28.517 ( -11.266 0.000 -5.048) 12.345 28.999 ( 14.142 0.000 3.249) 14.511 29.217 ( -0.604 0.000 3.340) 3.394 29.305 ( 3.606 0.000 -3.365) 4.932 29.709 ( -3.106 0.000 3.566) 4.730 29.742 ( -1.463 0.000 0.964) 1.752 29.943 ( -3.728 0.000 -7.279) 8.178 29.959 ( -3.864 0.000 -2.074) 4.386 30.251 ( -3.931 0.000 4.325) 5.845 30.367 ( 1.660 0.000 -12.689) 12.797 30.397 ( 0.819 0.000 -0.437) 0.928 30.488 ( 8.725 0.000 4.933) 10.023 30.825 ( -6.903 0.000 4.227) 8.095 30.899 ( -1.589 0.000 -1.340) 2.078 31.085 ( -3.565 0.000 5.231) 6.330 31.143 ( 1.560 0.000 -6.671) 6.851 31.593 ( -7.582 0.000 6.673) 10.100 31.835 ( 8.739 0.000 -5.649) 10.406 32.032 ( -4.745 0.000 -4.657) 6.649 32.180 ( 3.185 0.000 5.232) 6.125 32.894 ( -0.916 0.000 -12.732) 12.765 32.963 ( 0.507 0.000 12.467) 12.478 33.810 ( -4.888 0.000 -1.842) 5.223 34.004 ( 6.541 0.000 1.502) 6.711 34.655 ( 0.310 0.000 1.808) 1.835 34.662 ( 0.858 0.000 2.864) 2.990 37.562 ( 0.179 0.000 -4.917) 4.920 37.580 ( -0.023 0.000 4.892) 4.892 38.986 ( -0.607 0.000 -2.060) 2.148 39.007 ( 0.072 0.000 2.486) 2.487 40.666 ( -4.818 0.000 -2.172) 5.285 40.717 ( -3.774 0.000 -2.119) 4.328 40.791 ( 1.628 0.000 -0.375) 1.671 40.817 ( 2.893 0.000 1.821) 3.419 42.098 ( 1.845 0.000 -7.770) 7.986 42.156 ( 3.115 0.000 9.397) 9.899 42.280 ( 1.130 0.000 -0.218) 1.151 42.280 ( 0.530 0.000 1.430) 1.525 44.036 ( -11.454 0.000 0.993) 11.497 44.325 ( 5.950 0.000 -2.569) 6.481 44.436 ( -0.887 0.000 2.096) 2.276 44.455 ( 0.878 0.000 -3.208) 3.326 44.661 ( -2.926 0.000 -1.745) 3.407 44.749 ( -0.688 0.000 -0.748) 1.016 44.769 ( 0.122 0.000 1.749) 1.753 44.796 ( 3.676 0.000 0.897) 3.784 44.908 ( 1.212 0.000 1.679) 2.071 44.926 ( 2.805 0.000 -3.451) 4.447 46.266 ( -9.082 0.000 9.344) 13.030 46.506 ( 7.091 0.000 -3.852) 8.069 47.106 ( -7.914 0.000 3.895) 8.820 47.262 ( 2.356 0.000 -2.817) 3.673 47.436 ( 5.274 0.000 6.637) 8.477 47.445 ( 8.749 0.000 -8.696) 12.335 47.989 ( -2.665 0.000 0.350) 2.688 48.079 ( 3.204 0.000 0.379) 3.226 48.456 ( -2.278 0.000 -6.065) 6.478 48.627 ( 7.436 0.000 6.987) 10.204 49.746 ( -3.732 0.000 3.853) 5.364 49.755 ( -1.674 0.000 -3.474) 3.856 50.226 ( -4.345 0.000 4.876) 6.531 50.252 ( -0.837 0.000 -9.164) 9.202 52.356 ( -3.997 0.000 -0.791) 4.075 52.477 ( 3.317 0.000 0.006) 3.317 52.744 ( -2.423 0.000 0.615) 2.500 52.778 ( 0.060 0.000 -0.984) 0.986 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -25.895 0.000 9.185) 27.476 1.655 ( -48.766 0.000 4.892) 49.011 2.414 ( 9.863 0.000 -4.487) 10.836 2.743 ( -16.767 0.000 10.462) 19.763 2.863 ( -30.234 0.000 32.002) 44.025 3.126 ( 2.547 0.000 -0.923) 2.709 3.214 ( -13.969 0.000 -3.880) 14.498 3.773 ( -3.690 0.000 19.416) 19.764 3.950 ( -10.919 0.000 21.331) 23.963 3.955 ( 9.573 0.000 -12.183) 15.494 4.039 ( 17.885 0.000 -11.334) 21.174 4.172 ( 19.519 0.000 -11.183) 22.495 4.238 ( -10.406 0.000 14.019) 17.459 4.411 ( 17.862 0.000 -9.620) 20.287 4.500 ( -16.399 0.000 15.570) 22.613 4.738 ( 13.977 0.000 -4.879) 14.804 4.782 ( -1.337 0.000 6.010) 6.157 4.829 ( 14.513 0.000 -2.842) 14.789 4.951 ( 7.159 0.000 -9.279) 11.719 5.119 ( 2.105 0.000 2.989) 3.656 5.269 ( 9.718 0.000 -3.476) 10.321 5.350 ( -4.193 0.000 -1.856) 4.586 5.476 ( -10.351 0.000 2.886) 10.746 5.787 ( 9.675 0.000 -12.464) 15.779 5.962 ( 9.451 0.000 -11.518) 14.899 5.994 ( 5.424 0.000 -14.065) 15.075 6.132 ( -1.527 0.000 6.642) 6.815 6.220 ( 8.827 0.000 -2.366) 9.138 6.680 ( 7.154 0.000 -10.224) 12.479 6.939 ( -6.649 0.000 -13.134) 14.721 7.218 ( -1.478 0.000 0.966) 1.766 7.342 ( -2.363 0.000 2.978) 3.801 7.443 ( 2.538 0.000 1.137) 2.781 7.636 ( -2.948 0.000 -5.889) 6.586 7.692 ( -4.235 0.000 3.928) 5.777 7.817 ( -1.623 0.000 0.403) 1.673 7.874 ( -3.773 0.000 1.196) 3.958 8.011 ( -1.815 0.000 -2.117) 2.788 8.296 ( 7.267 0.000 -7.141) 10.189 8.365 ( 1.638 0.000 1.509) 2.228 8.424 ( -11.644 0.000 16.799) 20.440 8.582 ( 11.443 0.000 -5.791) 12.825 8.764 ( -9.029 0.000 18.184) 20.303 9.009 ( 14.248 0.000 -8.338) 16.508 9.418 ( -16.763 0.000 9.947) 19.492 9.474 ( -1.734 0.000 -9.750) 9.903 9.622 ( -10.114 0.000 11.929) 15.639 9.921 ( 5.640 0.000 -6.564) 8.654 12.164 ( -8.291 0.000 -4.217) 9.302 12.834 ( -5.800 0.000 -8.187) 10.034 13.120 ( -10.613 0.000 8.716) 13.733 13.370 ( 7.682 0.000 21.555) 22.883 13.510 ( 4.171 0.000 8.097) 9.109 13.835 ( 6.949 0.000 -0.641) 6.978 14.621 ( -3.593 0.000 -5.854) 6.868 14.864 ( 7.774 0.000 -1.068) 7.847 16.283 ( -8.521 0.000 -4.549) 9.659 16.684 ( 1.260 0.000 -11.497) 11.566 16.834 ( 0.457 0.000 -8.004) 8.017 17.074 ( 5.139 0.000 -15.287) 16.128 17.893 ( -6.605 0.000 -0.065) 6.605 17.920 ( 5.354 0.000 -17.433) 18.236 18.032 ( -4.799 0.000 -1.418) 5.004 18.293 ( 4.781 0.000 25.182) 25.632 18.425 ( -1.671 0.000 -0.203) 1.683 18.844 ( 2.713 0.000 -0.283) 2.728 18.913 ( 13.830 0.000 9.783) 16.940 19.128 ( 5.364 0.000 -1.733) 5.637 19.704 ( -6.434 0.000 7.226) 9.676 19.853 ( -9.583 0.000 3.617) 10.243 20.878 ( -15.764 0.000 -10.058) 18.699 20.915 ( -2.976 0.000 0.145) 2.979 21.342 ( 12.291 0.000 -2.039) 12.459 21.649 ( -12.602 0.000 -0.246) 12.605 21.861 ( -8.961 0.000 -0.072) 8.962 21.942 ( -12.319 0.000 -3.590) 12.832 22.220 ( -9.508 0.000 4.663) 10.590 22.422 ( 8.449 0.000 -0.766) 8.484 22.650 ( 12.326 0.000 -15.945) 20.154 22.720 ( -4.706 0.000 -4.675) 6.633 23.000 ( -3.701 0.000 4.494) 5.822 23.067 ( 3.414 0.000 4.253) 5.454 23.115 ( -1.169 0.000 -2.820) 3.053 23.420 ( 2.245 0.000 -1.863) 2.917 24.016 ( 6.662 0.000 -11.066) 12.917 24.261 ( -11.461 0.000 -27.685) 29.963 24.656 ( -2.696 0.000 1.671) 3.172 24.755 ( 1.308 0.000 -3.981) 4.190 25.733 ( 5.022 0.000 5.179) 7.214 25.934 ( 1.025 0.000 4.451) 4.568 26.246 ( 4.972 0.000 12.062) 13.047 26.283 ( -0.215 0.000 0.429) 0.479 26.532 ( 0.979 0.000 5.709) 5.792 26.552 ( -0.139 0.000 0.011) 0.139 26.773 ( 13.881 0.000 28.241) 31.468 27.021 ( 12.691 0.000 4.814) 13.574 27.182 ( -5.648 0.000 2.640) 6.235 27.793 ( 4.989 0.000 4.341) 6.613 27.968 ( -0.042 0.000 -2.862) 2.862 28.151 ( 3.807 0.000 1.895) 4.253 28.276 ( -6.839 0.000 4.035) 7.940 28.433 ( 0.918 0.000 0.653) 1.127 28.539 ( 7.270 0.000 0.512) 7.288 29.108 ( -2.513 0.000 2.452) 3.511 29.299 ( 2.625 0.000 -6.001) 6.550 29.320 ( 8.863 0.000 -2.728) 9.273 29.617 ( -3.607 0.000 -9.975) 10.607 29.728 ( 0.435 0.000 0.389) 0.584 29.792 ( -3.582 0.000 -6.052) 7.033 29.907 ( -2.546 0.000 5.731) 6.271 30.188 ( 1.559 0.000 -18.488) 18.554 30.199 ( -4.388 0.000 -3.875) 5.854 30.420 ( -0.447 0.000 3.022) 3.055 30.596 ( -1.726 0.000 -0.144) 1.732 30.817 ( -0.364 0.000 6.111) 6.121 30.829 ( -2.625 0.000 -4.905) 5.563 31.080 ( -5.573 0.000 4.565) 7.204 31.097 ( -2.080 0.000 -1.203) 2.403 31.593 ( -6.230 0.000 10.710) 12.390 31.861 ( -0.971 0.000 -3.678) 3.804 31.954 ( 4.846 0.000 -4.649) 6.715 32.275 ( 0.687 0.000 4.791) 4.840 32.738 ( 2.523 0.000 -13.127) 13.367 32.948 ( -7.317 0.000 -10.289) 12.625 33.748 ( -1.802 0.000 1.043) 2.082 34.103 ( 4.759 0.000 0.061) 4.759 34.713 ( 0.707 0.000 5.648) 5.692 34.847 ( 9.624 0.000 13.877) 16.888 37.520 ( 1.506 0.000 -3.715) 4.009 37.622 ( -1.395 0.000 3.193) 3.485 38.966 ( 0.145 0.000 -0.321) 0.352 39.042 ( -0.057 0.000 3.387) 3.387 40.580 ( -3.116 0.000 -0.229) 3.125 40.636 ( -3.344 0.000 -0.216) 3.351 40.780 ( 0.243 0.000 -3.198) 3.208 40.859 ( 0.662 0.000 0.463) 0.808 42.083 ( 5.507 0.000 -3.793) 6.687 42.256 ( 1.340 0.000 0.349) 1.385 42.318 ( 2.420 0.000 1.396) 2.793 42.374 ( 2.161 0.000 9.980) 10.212 43.871 ( -10.808 0.000 0.421) 10.816 44.214 ( -9.061 0.000 -14.196) 16.841 44.449 ( -0.889 0.000 2.211) 2.383 44.459 ( 3.639 0.000 -1.236) 3.844 44.630 ( 1.106 0.000 -0.383) 1.171 44.731 ( -0.025 0.000 -1.242) 1.242 44.794 ( 0.148 0.000 0.947) 0.958 44.846 ( 1.844 0.000 0.656) 1.957 44.943 ( 1.351 0.000 0.382) 1.404 44.951 ( 4.267 0.000 -0.720) 4.328 46.344 ( -0.149 0.000 17.757) 17.757 46.578 ( 5.505 0.000 -0.574) 5.535 47.061 ( -5.840 0.000 6.653) 8.853 47.261 ( 5.684 0.000 -5.875) 8.175 47.514 ( 9.292 0.000 -4.121) 10.165 47.594 ( 4.576 0.000 6.114) 7.636 47.965 ( -0.943 0.000 0.903) 1.306 48.135 ( 3.149 0.000 0.448) 3.180 48.362 ( 0.654 0.000 -6.615) 6.647 48.827 ( 9.042 0.000 1.729) 9.206 49.687 ( -1.674 0.000 -2.930) 3.374 49.717 ( -6.564 0.000 3.949) 7.660 50.050 ( -8.338 0.000 -10.703) 13.567 50.195 ( -7.246 0.000 4.871) 8.731 52.288 ( -3.193 0.000 -1.254) 3.430 52.468 ( -2.139 0.000 -6.025) 6.393 52.692 ( -3.706 0.000 -0.376) 3.725 52.758 ( -0.432 0.000 -1.474) 1.536 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -12.882 0.000 24.390) 27.583 1.490 ( -6.870 0.000 43.086) 43.631 2.244 ( -2.684 0.000 -24.751) 24.896 2.815 ( -0.556 0.000 16.990) 16.999 2.932 ( -29.929 0.000 53.235) 61.072 3.124 ( 0.206 0.000 -3.398) 3.404 3.150 ( 0.856 0.000 9.820) 9.857 3.762 ( -0.076 0.000 -29.228) 29.228 3.967 ( -3.646 0.000 16.306) 16.709 4.058 ( -11.688 0.000 24.053) 26.742 4.111 ( 1.798 0.000 -14.073) 14.188 4.223 ( 14.429 0.000 -15.367) 21.079 4.315 ( -9.043 0.000 23.753) 25.416 4.484 ( -11.825 0.000 17.842) 21.405 4.514 ( 13.832 0.000 -9.785) 16.943 4.814 ( 15.198 0.000 -16.573) 22.487 4.850 ( -9.616 0.000 14.415) 17.329 4.892 ( 8.126 0.000 -12.435) 14.855 5.062 ( 7.152 0.000 -0.949) 7.215 5.111 ( 3.139 0.000 -5.802) 6.596 5.293 ( -6.195 0.000 -7.969) 10.093 5.342 ( 5.889 0.000 -3.161) 6.684 5.362 ( 4.938 0.000 -8.432) 9.772 5.487 ( -1.839 0.000 -23.022) 23.095 5.906 ( 5.217 0.000 -13.596) 14.563 5.956 ( 6.652 0.000 -17.296) 18.531 6.136 ( -7.151 0.000 8.334) 10.981 6.291 ( 6.684 0.000 -4.915) 8.296 6.819 ( 4.821 0.000 -3.469) 5.939 6.868 ( 13.848 0.000 5.863) 15.038 7.212 ( -2.494 0.000 0.338) 2.517 7.282 ( -4.240 0.000 -0.495) 4.269 7.498 ( 1.976 0.000 -1.179) 2.300 7.533 ( -2.312 0.000 0.234) 2.323 7.597 ( -10.036 0.000 -1.192) 10.106 7.814 ( -4.875 0.000 1.218) 5.025 7.887 ( 5.287 0.000 3.400) 6.286 8.047 ( 4.255 0.000 5.507) 6.959 8.258 ( 1.249 0.000 -8.791) 8.879 8.402 ( 3.778 0.000 -3.241) 4.978 8.414 ( -14.168 0.000 14.745) 20.449 8.657 ( 8.332 0.000 -7.508) 11.216 8.849 ( -8.215 0.000 16.536) 18.464 9.141 ( 15.505 0.000 -10.493) 18.722 9.294 ( -15.109 0.000 9.903) 18.065 9.375 ( 3.316 0.000 -7.556) 8.252 9.619 ( -10.107 0.000 13.127) 16.567 9.909 ( 4.623 0.000 -7.683) 8.966 12.095 ( -0.412 0.000 3.342) 3.367 12.626 ( -6.558 0.000 -10.216) 12.140 13.152 ( -3.730 0.000 14.874) 15.334 13.663 ( 1.490 0.000 9.306) 9.425 13.718 ( 6.523 0.000 13.458) 14.955 13.900 ( -2.595 0.000 6.672) 7.159 14.437 ( -2.410 0.000 -12.032) 12.271 14.961 ( 6.252 0.000 -3.342) 7.090 16.126 ( -4.095 0.000 -3.547) 5.418 16.604 ( -3.893 0.000 -5.838) 7.017 16.674 ( 4.202 0.000 -11.661) 12.395 16.924 ( 1.480 0.000 -15.272) 15.343 17.676 ( -2.417 0.000 -14.281) 14.484 17.740 ( -12.891 0.000 0.207) 12.892 18.161 ( 9.385 0.000 7.340) 11.915 18.438 ( 1.388 0.000 4.101) 4.329 18.632 ( 2.185 0.000 13.856) 14.027 18.798 ( -1.275 0.000 -5.502) 5.648 19.192 ( 7.100 0.000 -1.147) 7.192 19.314 ( 18.806 0.000 11.617) 22.105 19.681 ( -15.280 0.000 0.550) 15.289 19.720 ( -9.258 0.000 12.129) 15.259 20.632 ( -2.018 0.000 -4.843) 5.247 20.854 ( -6.031 0.000 0.124) 6.032 21.316 ( -21.948 0.000 -5.483) 22.623 21.479 ( 9.943 0.000 -5.277) 11.256 21.639 ( -14.116 0.000 -5.948) 15.318 21.697 ( -10.036 0.000 -1.662) 10.173 22.219 ( 0.969 0.000 7.744) 7.805 22.518 ( 5.713 0.000 -1.321) 5.864 22.583 ( 4.370 0.000 -6.209) 7.592 22.796 ( 10.685 0.000 -0.728) 10.709 22.975 ( -4.303 0.000 2.029) 4.757 23.081 ( 1.185 0.000 -2.691) 2.941 23.108 ( -4.496 0.000 0.443) 4.518 23.210 ( -18.786 0.000 -10.277) 21.413 23.858 ( -12.651 0.000 4.798) 13.530 24.012 ( 8.802 0.000 -9.393) 12.873 24.611 ( -3.342 0.000 -0.063) 3.343 24.706 ( 0.444 0.000 -5.699) 5.716 25.810 ( 2.316 0.000 1.587) 2.808 25.958 ( -2.330 0.000 1.309) 2.672 26.289 ( -0.387 0.000 1.314) 1.370 26.332 ( 4.013 0.000 -3.071) 5.054 26.553 ( 0.290 0.000 -0.044) 0.293 26.569 ( -0.525 0.000 1.164) 1.277 27.119 ( 0.263 0.000 4.170) 4.179 27.231 ( 6.154 0.000 4.080) 7.384 27.718 ( 34.042 0.000 14.042) 36.825 27.843 ( -0.904 0.000 -0.001) 0.904 27.893 ( -0.165 0.000 2.364) 2.370 28.220 ( 1.419 0.000 0.780) 1.619 28.391 ( 3.020 0.000 15.461) 15.753 28.483 ( 4.418 0.000 3.171) 5.439 28.647 ( 5.163 0.000 0.575) 5.195 29.058 ( -5.828 0.000 0.251) 5.833 29.228 ( 0.277 0.000 -8.469) 8.474 29.297 ( -0.636 0.000 -8.497) 8.520 29.448 ( -3.145 0.000 -7.046) 7.716 29.686 ( -0.810 0.000 -8.819) 8.856 29.797 ( 5.195 0.000 0.109) 5.197 29.987 ( -1.115 0.000 5.235) 5.352 30.046 ( 7.037 0.000 -8.709) 11.196 30.049 ( -4.940 0.000 -0.335) 4.951 30.423 ( -6.693 0.000 2.437) 7.123 30.486 ( -7.172 0.000 -3.703) 8.072 30.732 ( 2.073 0.000 -6.051) 6.396 30.879 ( -1.777 0.000 1.757) 2.499 31.032 ( -6.865 0.000 2.378) 7.265 31.033 ( -3.526 0.000 1.161) 3.712 31.656 ( -4.356 0.000 11.506) 12.303 31.801 ( 0.372 0.000 -1.936) 1.971 31.993 ( 6.306 0.000 -4.845) 7.953 32.270 ( -7.909 0.000 -1.455) 8.041 32.594 ( -15.889 0.000 -4.457) 16.502 32.659 ( 5.461 0.000 -10.082) 11.466 33.795 ( 2.544 0.000 5.394) 5.964 34.134 ( 0.899 0.000 -2.525) 2.681 34.806 ( 0.785 0.000 7.373) 7.415 35.107 ( 7.409 0.000 -0.976) 7.473 37.522 ( 3.287 0.000 -1.830) 3.762 37.613 ( -3.226 0.000 1.145) 3.423 38.984 ( 1.364 0.000 1.294) 1.881 39.076 ( -0.361 0.000 1.394) 1.440 40.568 ( -1.213 0.000 1.516) 1.941 40.686 ( 7.588 0.000 3.648) 8.420 40.732 ( 0.229 0.000 -4.946) 4.951 40.853 ( -1.683 0.000 0.142) 1.689 42.160 ( 6.964 0.000 -0.105) 6.965 42.272 ( 1.128 0.000 0.087) 1.131 42.377 ( 2.628 0.000 1.665) 3.111 42.485 ( -1.686 0.000 4.727) 5.018 43.733 ( -6.823 0.000 -0.214) 6.826 43.837 ( -15.796 0.000 -7.411) 17.448 44.462 ( -1.093 0.000 2.404) 2.640 44.497 ( 2.550 0.000 -0.692) 2.642 44.651 ( 1.415 0.000 -0.342) 1.455 44.715 ( -0.075 0.000 -1.339) 1.341 44.806 ( -0.068 0.000 1.447) 1.449 44.874 ( 1.637 0.000 -0.291) 1.663 44.954 ( -0.222 0.000 0.048) 0.227 45.004 ( 3.371 0.000 -1.767) 3.806 46.635 ( 11.823 0.000 5.204) 12.917 46.647 ( 2.142 0.000 1.711) 2.741 47.131 ( 1.346 0.000 11.214) 11.295 47.303 ( 8.458 0.000 -5.295) 9.979 47.606 ( 7.435 0.000 -1.941) 7.684 47.692 ( -0.764 0.000 3.497) 3.579 48.015 ( 5.598 0.000 2.307) 6.054 48.165 ( 1.043 0.000 -1.162) 1.561 48.332 ( 5.313 0.000 -5.196) 7.432 48.739 ( -17.796 0.000 -10.435) 20.630 49.646 ( -7.128 0.000 3.943) 8.146 49.647 ( 1.414 0.000 -2.672) 3.023 49.929 ( 4.917 0.000 2.165) 5.373 50.130 ( -9.377 0.000 5.182) 10.714 52.230 ( -1.626 0.000 -2.027) 2.598 52.262 ( -11.258 0.000 -4.171) 12.006 52.661 ( -1.639 0.000 1.667) 2.337 52.733 ( -0.183 0.000 -1.773) 1.783 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.032 44.482 20.607) 49.023 2.264 ( 8.994 28.159 -5.045) 29.988 2.289 ( 4.118 13.066 27.516) 30.738 3.101 ( -8.784 7.599 -16.771) 20.400 3.217 ( -0.016 17.494 8.728) 19.551 3.294 ( -4.241 4.378 24.519) 25.265 3.366 ( 0.352 1.919 -4.827) 5.206 3.548 ( -7.226 14.926 33.096) 37.018 3.768 ( -12.052 -0.406 -19.170) 22.648 4.028 ( -12.107 1.426 17.089) 20.992 4.212 ( -0.474 -1.762 11.726) 11.867 4.269 ( 2.622 -0.997 -6.789) 7.346 4.393 ( -1.165 -3.459 10.255) 10.885 4.528 ( -5.194 2.121 4.011) 6.897 4.696 ( -1.354 6.297 10.187) 12.052 4.764 ( -6.699 -0.357 0.284) 6.714 4.866 ( 7.125 4.598 -33.847) 34.893 4.894 ( 8.150 5.402 -11.034) 14.743 5.012 ( 16.026 2.709 -9.371) 18.762 5.156 ( 1.948 0.839 -15.291) 15.437 5.195 ( 4.928 1.583 -1.255) 5.326 5.279 ( -2.473 -0.742 -2.518) 3.606 5.305 ( 5.283 -2.261 -2.089) 6.115 5.453 ( 3.548 1.525 -7.352) 8.305 5.734 ( -0.828 -3.406 -8.480) 9.176 5.813 ( 3.360 -1.062 -12.443) 12.933 6.099 ( -5.910 -4.563 8.555) 11.355 6.253 ( 5.106 -6.429 -5.936) 10.131 6.922 ( 7.236 0.011 4.604) 8.576 7.058 ( -4.721 -2.018 -6.216) 8.062 7.183 ( 13.808 -1.658 6.608) 15.398 7.237 ( 0.932 -5.881 4.337) 7.366 7.329 ( -6.982 -5.152 -5.791) 10.432 7.341 ( -7.772 -4.401 -5.573) 10.527 7.617 ( 3.323 -2.202 5.549) 6.833 7.712 ( -2.339 -4.195 -3.244) 5.796 7.953 ( 2.908 -4.463 5.715) 7.812 8.099 ( -0.806 -2.065 -6.637) 6.997 8.195 ( -2.113 -1.037 7.572) 7.930 8.341 ( -2.846 -1.037 -2.633) 4.013 8.434 ( -7.609 2.016 7.973) 11.204 8.618 ( 5.011 -3.307 -5.132) 7.898 8.930 ( -4.997 0.898 8.268) 9.703 9.045 ( 1.305 -6.966 0.052) 7.088 9.319 ( -6.971 6.875 4.314) 10.698 9.432 ( 7.245 4.641 -5.412) 10.164 9.688 ( -6.513 3.578 11.411) 13.617 9.905 ( 6.108 1.541 -8.303) 10.422 12.296 ( 6.459 7.689 6.727) 12.086 12.467 ( -5.994 6.263 -9.198) 12.639 13.386 ( 2.826 1.942 16.820) 17.166 13.666 ( -1.150 -4.674 -4.294) 6.450 13.815 ( -1.651 0.310 2.482) 2.997 13.949 ( -4.392 1.431 -1.046) 4.737 14.408 ( 4.595 -2.615 17.316) 18.105 14.893 ( 1.120 -0.677 -19.627) 19.671 16.100 ( -2.437 -0.651 3.075) 3.977 16.329 ( 0.784 -4.215 -15.115) 15.711 16.822 ( 4.573 10.147 3.580) 11.691 16.957 ( -2.414 11.336 -9.601) 15.051 17.538 ( 2.024 -0.944 -0.071) 2.235 17.588 ( -4.841 -0.865 -4.777) 6.856 18.353 ( 10.110 -5.481 7.970) 13.992 18.474 ( -0.951 -7.781 0.160) 7.840 18.615 ( -5.446 -4.614 0.577) 7.161 18.644 ( -3.706 2.705 -2.988) 5.476 19.479 ( 10.916 4.726 7.099) 13.852 19.551 ( -4.155 -1.505 4.841) 6.555 19.647 ( -10.676 5.727 1.740) 12.239 19.701 ( 8.352 2.155 -0.659) 8.651 20.657 ( -6.681 -3.287 -1.380) 7.572 20.709 ( 10.165 -2.028 -4.658) 11.364 21.111 ( -4.143 -0.808 1.636) 4.527 21.172 ( -1.503 -7.483 -4.469) 8.845 21.651 ( -3.079 4.232 1.728) 5.512 21.694 ( 3.032 6.416 -2.514) 7.528 22.330 ( -7.891 -4.707 7.076) 11.597 22.432 ( 9.514 -10.165 -2.690) 14.180 22.724 ( -2.913 3.174 3.968) 5.857 22.743 ( -0.337 -3.224 2.453) 4.065 22.871 ( -0.131 -4.533 2.307) 5.088 23.008 ( -1.845 8.730 -5.480) 10.471 23.197 ( -7.867 17.483 -1.533) 19.232 23.267 ( 8.372 17.444 -5.350) 20.074 23.993 ( -6.123 12.219 10.203) 17.055 24.206 ( 4.111 12.605 -9.591) 16.364 24.567 ( -1.736 -0.956 1.670) 2.592 24.640 ( 0.441 -0.339 -5.043) 5.074 25.868 ( 2.277 -0.540 3.230) 3.989 25.930 ( -2.867 1.435 -2.398) 4.004 26.277 ( -1.565 -2.728 3.390) 4.624 26.338 ( 2.023 -2.686 -2.690) 4.307 26.536 ( 2.107 -0.276 1.142) 2.412 26.571 ( -1.601 3.165 -1.913) 4.030 27.177 ( 2.889 -2.430 7.132) 8.070 27.298 ( -1.848 0.663 -3.662) 4.155 27.833 ( -5.759 2.865 1.748) 6.666 27.849 ( 2.713 3.669 0.406) 4.581 28.118 ( -2.721 -6.355 1.173) 7.011 28.148 ( 8.154 -7.074 -0.834) 10.827 28.550 ( 4.504 -0.843 8.361) 9.534 28.659 ( -4.244 0.119 -0.686) 4.300 28.722 ( 8.955 -4.090 9.525) 13.698 28.907 ( -4.999 -2.640 -5.743) 8.059 29.108 ( -4.594 -1.432 -3.298) 5.834 29.189 ( 3.229 -0.476 -8.976) 9.551 29.323 ( -1.599 -2.212 6.676) 7.212 29.526 ( -2.306 0.979 -11.192) 11.469 29.836 ( -5.962 -2.850 2.637) 7.115 29.880 ( 2.696 -1.534 -0.067) 3.102 30.164 ( -0.688 -3.084 7.545) 8.180 30.232 ( 12.779 2.474 0.219) 13.018 30.276 ( -8.254 3.526 -2.581) 9.339 30.323 ( -1.631 0.331 -6.180) 6.400 30.757 ( -1.994 -1.142 1.950) 3.013 30.799 ( 2.159 -0.191 -1.995) 2.946 30.950 ( -2.983 -1.831 3.495) 4.946 31.008 ( 2.829 -2.358 -1.487) 3.972 31.615 ( -0.829 -8.811 4.091) 9.749 31.658 ( -3.275 -12.529 0.417) 12.957 31.985 ( -0.839 -1.174 5.216) 5.412 32.090 ( 3.002 1.936 -3.804) 5.218 32.401 ( -6.651 -6.164 8.975) 12.758 32.590 ( 6.083 -4.428 -8.903) 11.656 33.940 ( 3.405 1.089 6.908) 7.778 34.072 ( -3.020 0.875 -5.310) 6.171 34.758 ( 0.492 -12.138 4.897) 13.098 34.819 ( -0.970 -16.112 -0.191) 16.143 37.887 ( 3.665 27.437 3.552) 27.908 38.021 ( -4.201 33.891 -10.020) 35.590 39.169 ( 1.096 12.166 1.929) 12.366 39.201 ( -0.972 12.190 -0.871) 12.260 40.558 ( -0.150 -2.161 2.404) 3.236 40.617 ( 1.192 -3.559 -2.585) 4.557 40.836 ( -3.546 1.882 0.754) 4.085 40.874 ( 4.510 2.972 -3.138) 6.247 42.161 ( -0.482 -8.461 1.430) 8.595 42.186 ( -0.108 -6.409 -1.059) 6.497 42.377 ( -0.768 -5.726 3.007) 6.513 42.399 ( -0.165 -4.332 0.848) 4.417 43.662 ( -0.031 -0.265 0.431) 0.507 43.679 ( 0.525 0.649 -1.124) 1.400 44.485 ( 1.334 -6.369 0.836) 6.561 44.500 ( -1.060 -8.948 -0.495) 9.025 44.779 ( 2.848 11.551 -0.955) 11.935 44.790 ( -2.362 16.224 -2.220) 16.545 44.919 ( -2.157 9.598 -0.083) 9.838 44.954 ( 0.016 11.532 -3.553) 12.067 45.143 ( -0.216 15.397 3.435) 15.777 45.219 ( 0.848 15.154 -3.481) 15.572 46.670 ( -1.258 -0.751 2.155) 2.606 46.730 ( 3.505 -0.914 -3.479) 5.022 47.193 ( -2.592 -5.923 5.146) 8.263 47.290 ( 3.210 -5.918 -3.918) 7.790 47.651 ( -5.690 -1.774 0.645) 5.995 47.670 ( 6.008 -2.375 -1.078) 6.550 48.042 ( -0.286 -6.304 3.194) 7.073 48.107 ( -1.058 -3.457 -2.921) 4.648 48.297 ( -14.150 -2.230 3.283) 14.696 48.364 ( 10.237 -3.187 -2.886) 11.104 49.597 ( -4.406 -0.363 3.186) 5.449 49.664 ( 5.767 -0.562 -2.962) 6.507 49.995 ( -8.667 -3.837 3.088) 9.969 50.044 ( 11.768 -6.085 -1.123) 13.295 52.178 ( -2.024 3.139 2.524) 4.508 52.231 ( 1.111 3.106 -2.409) 4.085 52.650 ( -0.569 -1.737 2.087) 2.774 52.696 ( 0.548 -1.617 -2.123) 2.724 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 1.615 39.608 -18.544) 43.764 2.089 ( 3.266 37.790 17.337) 41.706 2.518 ( -4.524 4.868 -39.637) 40.190 2.921 ( -0.754 6.700 39.281) 39.856 3.136 ( -10.661 17.775 -2.862) 20.924 3.289 ( -4.442 13.846 6.848) 16.073 3.384 ( -7.086 1.468 -14.288) 16.016 3.758 ( 5.127 -0.334 18.197) 18.909 3.956 ( -8.109 5.406 20.482) 22.682 4.081 ( -2.175 -4.262 14.895) 15.644 4.238 ( 0.611 -3.686 -1.644) 4.082 4.355 ( 6.376 5.456 18.149) 19.995 4.417 ( 9.874 1.953 -18.923) 21.434 4.519 ( 12.181 2.020 -14.827) 19.294 4.577 ( -5.604 2.785 -1.729) 6.493 4.598 ( -8.995 7.550 3.398) 12.225 4.769 ( -6.821 1.567 -6.239) 9.376 4.950 ( 4.902 1.126 -8.212) 9.630 5.027 ( 0.833 -2.301 13.001) 13.229 5.135 ( 2.642 4.992 -11.773) 13.057 5.199 ( -2.252 0.321 -1.288) 2.614 5.254 ( 13.447 -2.517 -15.248) 20.485 5.293 ( 6.002 2.358 -0.217) 6.453 5.468 ( 5.706 1.086 -3.562) 6.814 5.650 ( -4.216 -2.402 3.777) 6.149 5.796 ( 4.501 -0.836 -3.274) 5.628 6.096 ( -7.061 -4.657 7.376) 11.222 6.248 ( 4.208 -7.609 -6.783) 11.028 6.868 ( -7.020 -1.250 -6.721) 9.799 7.008 ( -11.691 -3.088 -8.366) 14.704 7.134 ( 6.028 0.557 4.752) 7.696 7.251 ( -1.850 -6.674 -3.132) 7.601 7.316 ( 1.465 -5.961 5.634) 8.332 7.460 ( 8.196 -4.045 4.553) 10.211 7.630 ( -0.669 -2.786 -3.459) 4.492 7.749 ( 5.627 -4.125 3.366) 7.747 7.960 ( -3.395 -1.827 -7.522) 8.453 8.046 ( -1.063 -3.101 4.547) 5.606 8.207 ( -5.902 0.147 -4.803) 7.611 8.235 ( -8.602 -2.103 11.193) 14.273 8.428 ( -6.499 0.162 8.828) 10.964 8.650 ( 6.497 -2.320 -5.249) 8.669 8.923 ( -6.398 0.035 4.769) 7.980 9.055 ( 2.240 -3.148 -2.415) 4.556 9.293 ( -3.665 7.157 4.938) 9.436 9.502 ( 9.463 3.822 -4.293) 11.072 9.739 ( -4.198 3.372 9.648) 11.049 9.905 ( 8.329 1.790 -9.793) 12.980 12.294 ( -2.494 6.567 -7.539) 10.305 12.511 ( 9.437 7.080 7.174) 13.808 13.479 ( -2.972 -1.414 -9.787) 10.326 13.596 ( -1.603 0.399 4.873) 5.145 13.867 ( -0.978 0.139 -5.207) 5.300 13.949 ( 6.668 -0.973 15.245) 16.668 14.583 ( -0.883 -0.746 -27.642) 27.666 14.726 ( 2.588 0.152 18.289) 18.472 16.040 ( -8.899 -7.748 2.171) 11.997 16.301 ( 4.962 -0.223 3.393) 6.015 16.783 ( -6.381 10.354 -7.006) 14.036 16.888 ( -3.051 10.158 4.696) 11.599 17.428 ( -2.174 -0.711 3.785) 4.423 17.779 ( 15.386 -0.084 0.912) 15.413 18.284 ( -8.551 -7.920 -9.638) 15.124 18.471 ( -2.099 -6.198 -0.780) 6.590 18.671 ( 6.269 3.618 7.422) 10.366 18.692 ( 4.673 -4.202 1.965) 6.584 19.301 ( -15.161 8.288 -5.329) 18.082 19.397 ( -17.611 -3.788 -1.257) 18.058 19.793 ( 14.128 9.111 2.140) 16.947 19.929 ( 15.479 -5.073 -4.647) 16.939 20.517 ( -6.641 -1.958 2.683) 7.426 20.805 ( 5.926 -8.306 -4.339) 11.087 21.157 ( 6.256 -3.004 3.417) 7.736 21.301 ( 14.786 -2.946 3.591) 15.499 21.642 ( 2.565 5.451 0.295) 6.031 21.769 ( 7.238 4.378 -0.149) 8.460 22.140 ( -18.055 -7.714 2.384) 19.778 22.523 ( 4.058 -5.476 -4.155) 7.982 22.677 ( -6.248 -3.489 1.113) 7.242 22.742 ( -2.382 4.532 0.238) 5.125 22.945 ( 3.423 5.318 -1.241) 6.445 22.984 ( 2.807 1.788 5.581) 6.498 23.153 ( -1.431 11.088 2.402) 11.435 23.362 ( 11.057 16.877 -3.186) 20.426 24.036 ( -5.052 16.832 11.649) 21.084 24.157 ( 3.627 10.080 -8.619) 13.749 24.580 ( -0.953 -1.581 3.204) 3.697 24.624 ( 2.628 -0.032 -0.782) 2.742 25.856 ( -2.544 0.870 -2.349) 3.570 25.954 ( 3.370 -0.076 2.916) 4.457 26.270 ( -2.560 -1.362 1.450) 3.242 26.348 ( 2.669 -2.832 -2.041) 4.394 26.504 ( -3.459 0.840 -1.653) 3.925 26.582 ( 1.372 1.389 1.056) 2.219 27.192 ( -3.052 -2.241 -5.864) 6.980 27.285 ( 1.111 -0.179 3.515) 3.691 27.735 ( -10.641 0.508 1.284) 10.730 27.871 ( -5.422 2.499 -0.013) 5.970 27.996 ( -3.928 -3.481 -4.264) 6.763 28.158 ( -2.774 -6.721 -1.163) 7.363 28.535 ( -4.385 -1.105 -4.015) 6.047 28.638 ( -6.304 -1.372 -1.057) 6.537 28.746 ( 1.923 1.929 -6.063) 6.647 28.994 ( 9.356 -3.877 2.785) 10.504 29.079 ( -1.037 -0.292 8.231) 8.301 29.183 ( 4.119 2.227 -2.492) 5.305 29.337 ( -5.080 -1.805 -2.589) 5.981 29.447 ( 0.816 1.283 9.547) 9.667 29.751 ( -7.610 -4.097 3.270) 9.241 29.989 ( 6.342 -2.248 -1.033) 6.808 30.024 ( -10.651 1.956 1.123) 10.888 30.166 ( -2.860 0.592 -5.787) 6.482 30.406 ( 10.212 0.374 0.423) 10.227 30.454 ( 12.492 0.692 0.682) 12.530 30.647 ( -6.834 0.841 1.638) 7.077 30.910 ( 4.892 2.591 0.987) 5.623 30.996 ( 6.872 -3.757 0.053) 7.832 31.040 ( 4.130 -4.408 -2.338) 6.477 31.628 ( 0.032 -9.041 0.958) 9.092 31.688 ( 1.180 -11.268 4.738) 12.280 31.980 ( -2.071 3.189 -1.559) 4.109 32.139 ( 7.086 -3.805 -2.427) 8.401 32.404 ( -7.512 -5.261 9.591) 13.270 32.576 ( 6.055 -5.284 -8.321) 11.569 33.940 ( -4.017 1.556 -6.104) 7.471 34.056 ( 0.874 0.678 5.354) 5.467 34.761 ( -2.782 -14.373 -1.475) 14.714 34.824 ( 0.649 -13.232 1.233) 13.305 37.863 ( -4.251 30.307 -4.547) 30.940 38.001 ( 2.795 29.914 6.049) 30.647 39.157 ( -1.874 12.510 -0.981) 12.688 39.215 ( 1.494 11.780 0.565) 11.888 40.584 ( -0.096 -2.857 0.572) 2.916 40.596 ( 1.073 -2.532 -1.949) 3.370 40.786 ( -3.793 3.643 1.278) 5.413 40.894 ( 1.909 1.745 -1.716) 3.103 42.073 ( -8.151 -7.279 0.592) 10.944 42.206 ( 0.340 -5.571 0.083) 5.582 42.363 ( -1.936 -3.053 0.179) 3.620 42.457 ( 3.791 -6.967 0.158) 7.934 43.718 ( 6.453 -1.757 0.293) 6.694 43.729 ( 7.296 -0.743 -0.771) 7.374 44.454 ( -3.526 -6.833 -0.804) 7.731 44.496 ( -1.185 -8.207 0.413) 8.302 44.728 ( -2.887 11.515 -0.005) 11.871 44.817 ( 2.073 15.326 -0.162) 15.466 44.908 ( -1.664 9.394 2.202) 9.791 44.945 ( 0.903 10.798 0.956) 10.878 45.155 ( -1.884 15.226 0.233) 15.343 45.199 ( 1.029 15.453 -1.138) 15.529 46.640 ( -4.729 -1.993 -0.038) 5.132 46.697 ( -2.516 -0.589 -2.717) 3.750 47.144 ( -9.636 -3.313 5.840) 11.744 47.247 ( -0.769 -5.802 -5.414) 7.972 47.556 ( -7.677 -2.105 0.720) 7.993 47.742 ( 5.001 -2.368 -1.198) 5.662 48.010 ( -5.800 -3.791 -3.551) 7.786 48.047 ( -3.020 -4.668 5.693) 7.957 48.223 ( -4.109 -2.950 1.186) 5.196 48.535 ( 11.529 -5.669 1.749) 12.966 49.593 ( -0.348 -0.031 2.235) 2.262 49.729 ( 7.811 -0.772 -4.271) 8.936 49.909 ( -4.108 -2.644 0.777) 4.947 50.174 ( 9.216 -6.446 -4.136) 11.983 52.217 ( 2.507 3.104 1.891) 4.415 52.257 ( 5.160 2.341 -0.741) 5.714 52.674 ( 0.210 -1.637 2.124) 2.690 52.684 ( 1.412 -1.645 -2.070) 2.998 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.084 35.251 -18.788) 40.966 2.154 ( 21.267 14.858 -19.961) 32.734 2.447 ( 3.652 27.975 13.997) 31.493 2.900 ( -14.078 19.660 -0.554) 24.186 3.187 ( 4.229 2.070 -0.160) 4.711 3.237 ( -3.157 12.762 5.144) 14.117 3.424 ( -11.655 6.547 33.279) 35.864 3.743 ( -24.717 0.375 11.653) 27.329 3.996 ( -2.771 2.619 7.021) 7.990 4.082 ( 5.346 -2.863 -14.469) 15.689 4.152 ( 7.184 6.418 -22.003) 24.019 4.286 ( -6.270 1.467 -4.161) 7.667 4.381 ( 7.655 -0.573 -17.565) 19.170 4.494 ( -5.270 4.477 -1.798) 7.145 4.551 ( -4.576 2.580 -1.668) 5.511 4.649 ( 1.888 1.495 2.639) 3.573 4.864 ( -4.434 -0.144 -3.031) 5.373 4.944 ( 7.298 4.698 -6.345) 10.751 5.029 ( -5.428 3.054 -7.264) 9.568 5.137 ( 12.866 4.760 25.867) 29.279 5.213 ( 6.040 -7.363 -1.125) 9.590 5.378 ( 13.428 0.005 -9.479) 16.436 5.440 ( 10.062 0.371 -2.181) 10.302 5.503 ( 3.805 1.771 5.127) 6.625 5.663 ( -3.655 -4.572 6.401) 8.674 5.814 ( -2.042 1.452 1.019) 2.705 6.066 ( -7.973 -4.868 5.923) 11.061 6.217 ( 4.117 -9.006 -7.628) 12.500 6.649 ( -14.254 0.197 -3.772) 14.746 6.786 ( -2.082 -2.615 -1.859) 3.825 7.197 ( -0.390 -5.382 -1.730) 5.667 7.275 ( 2.491 -3.886 2.876) 5.438 7.412 ( 1.503 -3.257 5.539) 6.599 7.486 ( -1.229 -6.341 -1.525) 6.636 7.678 ( 1.482 -0.712 4.583) 4.869 7.836 ( 2.195 -3.995 -1.115) 4.692 7.848 ( 0.114 -2.411 -2.606) 3.552 7.988 ( -3.564 -1.736 -1.355) 4.190 8.147 ( -7.343 1.103 7.287) 10.403 8.270 ( -5.628 -3.277 11.891) 13.558 8.425 ( -4.595 0.071 3.657) 5.873 8.654 ( 2.188 -3.687 -5.250) 6.778 8.867 ( -3.780 1.564 -0.369) 4.107 9.047 ( 3.590 -0.720 -6.521) 7.479 9.339 ( 0.224 6.795 7.105) 9.834 9.605 ( 9.270 2.639 -2.681) 10.004 9.783 ( -4.073 3.338 7.136) 8.869 9.911 ( 9.044 1.866 -11.019) 14.377 12.226 ( 2.624 6.366 -2.740) 7.411 12.738 ( 9.158 6.108 6.113) 12.591 13.354 ( 3.422 0.025 -9.422) 10.024 13.546 ( -8.100 0.199 1.192) 8.190 13.753 ( -3.367 2.157 -8.330) 9.240 14.195 ( 0.940 3.724 -29.525) 29.773 14.325 ( 9.425 -4.433 15.969) 19.066 14.860 ( -5.124 2.019 4.932) 7.393 16.064 ( 1.285 -7.676 14.537) 16.489 16.404 ( -7.277 -1.698 10.455) 12.851 16.655 ( -0.780 6.500 1.015) 6.625 16.876 ( -6.278 3.899 6.123) 9.597 17.559 ( 3.777 -1.839 9.528) 10.413 17.961 ( 6.011 0.821 -2.000) 6.388 18.103 ( 2.563 -2.870 -6.468) 7.526 18.416 ( -0.773 -4.606 -3.596) 5.894 18.716 ( 0.663 -2.291 -5.520) 6.013 18.841 ( 2.296 4.909 6.045) 8.118 19.036 ( -10.642 -2.551 -3.074) 11.367 19.086 ( -14.665 3.920 -6.779) 16.625 19.913 ( 7.211 -2.406 -11.900) 14.121 20.046 ( 9.501 6.650 -2.895) 11.953 20.609 ( 5.179 -6.456 11.907) 14.501 20.847 ( 5.781 -5.932 -1.258) 8.378 21.202 ( -5.647 -4.231 0.799) 7.101 21.641 ( 16.802 -2.973 6.146) 18.137 21.752 ( 9.309 -2.313 1.649) 9.732 21.902 ( 8.142 0.439 2.613) 8.563 21.965 ( -7.858 -4.665 4.601) 10.231 22.463 ( -4.205 -6.316 -4.373) 8.758 22.610 ( -2.045 -3.816 0.320) 4.341 22.734 ( 0.857 12.969 1.522) 13.086 22.968 ( 1.503 -6.322 -1.647) 6.703 23.098 ( 1.448 10.570 6.944) 12.729 23.146 ( -0.545 7.178 -1.953) 7.459 23.473 ( 4.354 13.094 -1.060) 13.840 24.060 ( -1.062 16.105 -2.655) 16.356 24.210 ( 2.299 16.108 13.345) 21.044 24.612 ( -0.200 -2.982 3.050) 4.270 24.681 ( 2.259 0.978 2.669) 3.631 25.795 ( -2.125 0.993 -2.039) 3.108 26.024 ( 2.360 0.711 0.103) 2.467 26.245 ( -1.285 -1.625 -0.591) 2.154 26.362 ( 1.452 3.577 -1.284) 4.069 26.440 ( -2.996 -6.381 0.619) 7.076 26.602 ( 0.277 2.384 0.215) 2.410 27.073 ( -3.602 -4.215 -6.524) 8.562 27.262 ( -4.814 3.899 -6.281) 8.822 27.422 ( -14.199 -2.474 -13.112) 19.485 27.750 ( -5.600 -4.310 0.388) 7.077 27.952 ( -0.588 -4.126 -2.894) 5.074 28.084 ( -4.220 -4.398 -2.757) 6.690 28.453 ( -2.946 -0.644 -2.338) 3.816 28.506 ( -1.729 3.958 -2.833) 5.166 28.689 ( 0.978 8.597 -6.706) 10.947 29.111 ( 3.975 -3.167 -0.182) 5.086 29.171 ( -0.635 0.803 5.521) 5.615 29.230 ( -4.374 4.550 8.964) 10.964 29.330 ( 0.885 -4.214 6.769) 8.023 29.604 ( 2.222 -2.451 8.765) 9.368 29.695 ( -4.960 -2.593 3.994) 6.876 29.901 ( -5.937 3.891 7.544) 10.359 30.059 ( 1.637 0.527 -6.710) 6.927 30.127 ( 5.183 -2.735 1.687) 6.099 30.484 ( -1.411 -0.351 -1.439) 2.046 30.561 ( 6.440 -0.514 -0.783) 6.508 30.715 ( 7.248 1.277 4.213) 8.480 30.959 ( 2.444 3.822 -1.947) 4.937 31.051 ( 2.160 -6.259 -2.578) 7.106 31.125 ( 10.314 -4.089 -4.068) 11.818 31.669 ( 3.512 -7.671 1.167) 8.517 31.765 ( -2.249 -6.385 7.853) 10.368 31.926 ( 1.094 4.126 -4.945) 6.533 32.184 ( 3.104 -12.529 -4.036) 13.524 32.419 ( -6.760 -4.920 10.053) 13.075 32.594 ( 8.699 -10.141 -5.363) 14.397 33.830 ( -1.110 2.244 -4.098) 4.802 34.088 ( -3.027 0.961 2.610) 4.111 34.690 ( -2.104 -12.499 -3.418) 13.128 34.814 ( -1.185 -12.087 -2.691) 12.439 37.785 ( -2.026 28.354 -0.312) 28.429 38.093 ( -1.107 32.259 5.380) 32.723 39.120 ( -1.252 12.700 -0.942) 12.796 39.226 ( 0.578 11.384 -1.452) 11.491 40.577 ( 1.174 -2.092 -1.224) 2.693 40.601 ( 0.841 -2.602 -0.283) 2.750 40.781 ( -0.783 5.251 3.694) 6.468 40.892 ( -0.232 1.818 -0.666) 1.950 41.965 ( -7.053 -5.687 1.495) 9.183 42.204 ( -0.408 -4.432 0.010) 4.451 42.327 ( -1.956 -2.132 -1.066) 3.083 42.471 ( 0.832 -6.684 -4.514) 8.108 43.855 ( 10.063 -3.638 -0.333) 10.705 43.868 ( 10.297 -5.446 1.588) 11.757 44.385 ( -4.576 -6.233 0.061) 7.733 44.461 ( -3.530 -9.079 -0.045) 9.741 44.702 ( -2.081 7.516 1.635) 7.969 44.832 ( 0.614 15.453 0.026) 15.466 44.905 ( -2.454 9.727 1.702) 10.175 44.994 ( -0.065 15.033 4.458) 15.681 45.121 ( -0.739 15.626 -1.447) 15.710 45.201 ( -0.167 16.281 -0.103) 16.282 46.530 ( -6.942 -3.338 -2.279) 8.033 46.592 ( -5.771 -0.751 -3.328) 6.704 47.108 ( -4.473 -0.931 6.347) 7.820 47.171 ( 1.214 -4.221 -5.845) 7.312 47.438 ( -9.419 -1.828 1.437) 9.702 47.761 ( 0.679 1.139 -6.483) 6.617 47.892 ( -2.116 -7.514 -1.105) 7.884 48.085 ( -1.615 -4.010 2.522) 5.005 48.176 ( -3.262 -5.298 3.707) 7.242 48.672 ( 0.545 -8.131 2.875) 8.642 49.636 ( 2.206 0.153 1.925) 2.932 49.789 ( 7.113 -0.947 -4.177) 8.303 49.924 ( 4.422 -1.904 1.116) 4.942 50.235 ( 5.855 -5.841 -4.079) 9.221 52.285 ( 3.702 2.390 1.143) 4.553 52.358 ( 5.814 0.582 1.912) 6.148 52.689 ( 2.181 -1.574 -1.394) 3.029 52.705 ( 0.384 -1.540 1.949) 2.514 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 20.078 31.985 -7.810) 38.563 2.441 ( -2.004 22.682 -2.332) 22.889 2.539 ( 24.882 15.750 2.840) 29.584 2.866 ( 1.085 17.800 13.569) 22.409 3.243 ( -4.691 19.281 6.477) 20.874 3.372 ( -4.135 -0.191 10.165) 10.975 3.383 ( -15.633 2.754 14.619) 21.580 3.687 ( -9.972 -0.919 18.258) 20.823 3.909 ( 2.815 2.187 -18.094) 18.441 3.997 ( 2.887 1.909 -10.756) 11.299 4.018 ( -7.252 1.315 3.615) 8.209 4.157 ( -1.154 8.441 -5.757) 10.282 4.283 ( 3.470 1.456 -16.237) 16.667 4.413 ( -10.680 2.716 10.665) 15.336 4.489 ( 8.666 7.192 -8.627) 14.186 4.685 ( -11.469 0.746 -10.832) 15.793 4.720 ( -0.053 0.132 2.822) 2.826 4.858 ( 4.925 -2.622 -5.945) 8.153 5.000 ( 9.910 6.849 -13.918) 18.408 5.117 ( -4.045 1.386 -6.045) 7.404 5.295 ( 4.714 3.237 -12.726) 13.952 5.489 ( -17.774 -0.439 -2.072) 17.900 5.544 ( 12.118 -2.674 -6.109) 13.831 5.621 ( -0.275 -7.826 5.109) 9.350 5.689 ( 11.536 -2.511 0.852) 11.837 5.814 ( -8.158 -0.019 9.450) 12.485 5.989 ( -8.659 -4.750 2.341) 10.150 6.185 ( 3.884 -9.601 -9.044) 13.750 6.565 ( 4.044 1.577 12.547) 13.277 6.925 ( 8.931 -2.088 13.816) 16.583 7.186 ( -0.424 -4.723 0.424) 4.761 7.285 ( -0.636 -5.775 -1.820) 6.088 7.430 ( -0.618 -1.960 -2.218) 3.023 7.534 ( 1.566 -6.010 7.277) 9.567 7.705 ( -3.196 -0.752 0.454) 3.315 7.861 ( -1.093 -4.517 2.004) 5.061 7.882 ( 7.064 -0.472 0.479) 7.095 7.989 ( 1.416 -2.028 3.428) 4.227 8.128 ( -7.584 0.494 9.137) 11.884 8.269 ( -12.938 -2.370 9.542) 16.250 8.383 ( -1.934 1.004 -2.250) 3.132 8.606 ( -1.081 -4.055 -2.715) 4.999 8.801 ( -1.155 2.837 -4.656) 5.573 9.003 ( 3.796 -0.311 -9.491) 10.226 9.463 ( 1.762 5.335 9.199) 10.779 9.700 ( 3.243 1.286 1.248) 3.705 9.788 ( -2.752 4.041 2.715) 5.592 9.902 ( 8.090 1.992 -11.792) 14.438 12.319 ( 7.619 5.776 5.131) 10.851 12.941 ( 8.110 5.473 5.525) 11.236 13.281 ( -7.899 -2.025 -6.413) 10.374 13.449 ( 3.853 6.257 -4.758) 8.754 13.556 ( -3.164 1.341 -13.581) 14.009 13.852 ( -5.833 4.131 -17.415) 18.825 14.610 ( 8.540 -3.657 4.222) 10.205 14.768 ( -7.439 1.973 0.403) 7.706 16.377 ( 5.488 0.337 11.459) 12.710 16.398 ( -4.262 -8.537 20.025) 22.182 16.735 ( -0.826 0.569 6.236) 6.317 16.870 ( -3.856 0.362 8.325) 9.182 17.660 ( -4.641 -1.755 8.682) 10.000 18.014 ( 7.868 0.016 -3.798) 8.737 18.123 ( 2.507 -1.548 -3.204) 4.353 18.335 ( -1.621 -5.057 -8.061) 9.653 18.661 ( 4.523 0.435 -4.952) 6.721 18.802 ( -4.956 1.638 -7.436) 9.085 18.810 ( -9.214 7.401 -2.887) 12.166 18.959 ( -2.756 -4.167 -0.143) 4.997 19.863 ( 4.903 -0.021 -7.125) 8.649 20.101 ( 2.527 7.196 -4.434) 8.822 20.806 ( 2.989 -12.164 5.905) 13.848 21.027 ( 8.290 -5.659 8.370) 13.069 21.074 ( -3.784 0.361 -0.050) 3.802 21.819 ( -0.767 -7.237 8.242) 10.995 21.907 ( 4.770 -5.668 -6.544) 9.884 21.977 ( 2.502 -3.209 2.334) 4.691 22.073 ( 6.495 -4.168 5.787) 9.646 22.348 ( -3.543 -5.446 -2.523) 6.970 22.625 ( 0.946 -0.541 3.172) 3.354 22.816 ( 4.911 8.972 3.581) 10.837 22.940 ( -1.298 -4.529 -3.074) 5.626 23.082 ( -2.910 2.410 -3.007) 4.829 23.223 ( 4.493 12.905 5.385) 14.687 23.461 ( -2.385 13.195 -1.314) 13.473 24.044 ( 1.756 16.324 1.650) 16.501 24.415 ( -4.490 16.415 17.257) 24.236 24.643 ( 0.202 -3.634 2.447) 4.385 24.733 ( -0.719 2.074 3.017) 3.731 25.737 ( -0.827 1.642 -3.184) 3.677 25.994 ( -2.085 0.966 -5.850) 6.285 26.222 ( 1.755 -1.582 -3.075) 3.878 26.349 ( -1.165 3.851 -0.777) 4.098 26.453 ( 1.627 -6.582 2.219) 7.134 26.600 ( -0.169 2.623 -0.478) 2.672 26.860 ( -4.250 1.458 -15.907) 16.529 26.940 ( -7.765 2.533 -14.727) 16.840 27.309 ( 3.655 1.506 -1.783) 4.337 27.665 ( -8.111 -5.739 0.197) 9.938 27.905 ( -0.544 -9.867 -1.829) 10.050 27.969 ( -2.704 -4.474 -5.177) 7.357 28.395 ( -0.808 0.348 -1.010) 1.339 28.482 ( -1.562 3.127 -1.628) 3.855 28.682 ( 8.036 14.547 -3.050) 16.897 29.082 ( -7.309 1.127 -1.187) 7.490 29.213 ( -2.451 0.945 5.172) 5.801 29.260 ( -2.256 3.366 4.024) 5.711 29.468 ( 0.998 -6.001 12.795) 14.167 29.652 ( -4.589 -2.923 6.590) 8.546 29.772 ( 5.759 -2.822 4.485) 7.826 29.988 ( 0.486 -0.971 1.197) 1.616 30.054 ( 2.235 2.612 9.220) 9.840 30.225 ( 2.462 -1.388 3.746) 4.693 30.452 ( 0.546 0.522 -1.551) 1.725 30.592 ( 0.884 -1.087 -4.557) 4.767 30.852 ( 4.467 1.874 2.542) 5.471 30.947 ( 1.146 2.551 -3.416) 4.415 31.036 ( -0.182 -5.890 -1.930) 6.201 31.190 ( 7.299 -3.753 -7.583) 11.174 31.729 ( -0.607 -4.204 1.505) 4.506 31.794 ( -0.919 0.435 2.405) 2.611 31.915 ( 4.246 1.239 -2.528) 5.095 32.145 ( -1.544 -15.263 -3.729) 15.787 32.444 ( -7.011 -7.274 12.521) 16.089 32.703 ( 10.209 -18.675 -2.989) 21.492 33.819 ( 3.168 2.231 -0.496) 3.907 34.037 ( -5.412 1.467 0.022) 5.607 34.623 ( -0.979 -9.774 -3.332) 10.373 34.731 ( -1.739 -8.027 -6.151) 10.261 37.794 ( 0.972 28.510 3.020) 28.686 38.082 ( -4.748 32.383 0.342) 32.731 39.103 ( -0.131 12.374 0.110) 12.375 39.203 ( 0.216 11.677 -2.928) 12.040 40.605 ( 2.812 -1.995 0.791) 3.538 40.631 ( 2.015 -2.675 1.392) 3.627 40.826 ( -0.081 5.154 3.377) 6.162 40.872 ( -1.466 2.516 -0.130) 2.914 41.913 ( -3.390 -4.843 3.798) 7.027 42.191 ( -0.799 -4.338 -1.000) 4.523 42.283 ( -1.437 -1.748 -1.622) 2.785 42.378 ( -1.477 -5.161 -8.480) 10.036 44.004 ( 9.939 -5.076 -0.721) 11.183 44.043 ( 7.574 -8.934 2.437) 11.963 44.320 ( -4.569 -7.243 1.168) 8.643 44.395 ( -4.373 -9.547 -0.398) 10.508 44.704 ( -0.859 6.759 2.569) 7.282 44.851 ( 0.688 15.918 1.357) 15.990 44.868 ( -2.823 9.258 -0.513) 9.693 45.012 ( -2.603 15.160 1.150) 15.425 45.116 ( -0.564 17.669 2.265) 17.822 45.198 ( 1.390 17.207 -1.413) 17.321 46.404 ( -7.894 -3.021 0.866) 8.497 46.473 ( 0.038 -1.980 -7.274) 7.538 47.150 ( 2.037 -1.865 1.200) 3.011 47.163 ( 2.866 -1.621 0.991) 3.438 47.311 ( -10.084 -1.240 2.807) 10.540 47.624 ( -2.240 0.486 -9.869) 10.132 47.915 ( 3.170 -6.959 0.175) 7.649 48.031 ( -4.480 -5.141 -0.581) 6.844 48.248 ( 1.403 -5.858 7.362) 9.512 48.630 ( -5.318 -7.283 -1.734) 9.183 49.695 ( 1.763 0.114 2.199) 2.821 49.826 ( 3.974 -0.786 -4.180) 5.821 50.044 ( 5.035 -3.170 4.602) 7.522 50.260 ( 3.713 -5.609 -3.619) 7.638 52.353 ( 3.443 1.789 1.070) 4.025 52.437 ( 1.041 -0.255 1.399) 1.763 52.718 ( 2.335 -1.825 0.108) 2.966 52.730 ( 0.049 -1.605 1.543) 2.227 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -20.831 29.561 -0.165) 36.164 2.175 ( 20.761 30.206 -1.662) 36.691 2.993 ( -28.409 4.923 15.760) 32.859 3.089 ( -7.093 13.185 19.896) 24.900 3.152 ( 17.429 8.538 -0.106) 19.408 3.322 ( 15.298 15.360 8.766) 23.384 3.650 ( -7.546 -2.474 10.054) 12.812 3.714 ( -3.548 -0.058 0.689) 3.615 3.788 ( -7.059 5.658 -5.528) 10.601 3.796 ( 1.259 2.807 -12.878) 13.240 3.965 ( 4.071 3.020 -0.118) 5.070 4.094 ( 1.740 9.766 -8.552) 13.097 4.177 ( 3.165 0.065 -3.096) 4.428 4.296 ( -12.665 3.982 -7.449) 15.223 4.472 ( -9.353 2.606 13.550) 16.670 4.595 ( -22.354 4.134 8.836) 24.390 4.634 ( 16.135 3.024 -7.821) 18.184 4.856 ( 6.068 1.846 -4.552) 7.807 4.967 ( 11.521 1.709 -10.210) 15.488 5.105 ( 6.231 1.924 -19.894) 20.935 5.167 ( 0.568 0.025 -1.599) 1.697 5.254 ( 8.222 5.690 -9.874) 14.052 5.551 ( -9.386 -4.751 1.629) 10.645 5.645 ( 9.911 -4.949 -6.834) 13.016 5.818 ( -5.687 -5.248 7.683) 10.905 5.855 ( 4.619 -4.715 4.142) 7.793 5.885 ( -0.791 -3.384 -0.417) 3.500 6.109 ( 3.575 -8.781 -11.608) 14.988 6.906 ( 9.648 -2.716 14.844) 17.910 7.129 ( -2.579 -5.774 -5.556) 8.418 7.256 ( 1.474 -3.792 8.768) 9.666 7.313 ( 6.944 -1.673 6.814) 9.871 7.376 ( 1.001 -1.094 -2.609) 3.001 7.562 ( -8.897 -0.595 -8.032) 12.001 7.668 ( 2.953 -5.277 8.224) 10.208 7.825 ( -3.156 -4.642 -3.528) 6.630 8.039 ( 8.381 -1.060 3.283) 9.063 8.076 ( -3.260 -1.680 1.935) 4.146 8.114 ( -0.371 -0.943 4.860) 4.964 8.193 ( -8.020 -1.729 6.749) 10.623 8.315 ( -6.160 2.752 4.877) 8.325 8.566 ( -0.323 -2.705 -2.769) 3.884 8.727 ( -3.166 3.359 -0.457) 4.639 8.940 ( 4.188 -1.502 -10.127) 11.061 9.588 ( -1.470 3.909 9.795) 10.648 9.696 ( -10.224 2.983 7.583) 13.074 9.775 ( 1.266 2.923 -5.527) 6.379 9.885 ( 8.645 2.040 -10.064) 13.423 12.573 ( 9.395 4.490 13.811) 17.296 12.917 ( -14.063 3.890 -15.804) 21.510 13.145 ( 4.966 4.184 7.841) 10.181 13.360 ( -2.121 3.417 -11.707) 12.379 13.546 ( 7.811 2.076 -2.074) 8.344 13.579 ( -7.692 4.899 -7.053) 11.529 14.669 ( -3.870 -0.571 2.469) 4.626 14.736 ( 5.229 -1.768 -3.128) 6.345 16.450 ( -5.911 -7.543 13.363) 16.444 16.645 ( 5.548 -1.094 -4.706) 7.357 16.841 ( 2.972 -3.328 15.950) 16.563 16.959 ( 1.541 2.132 4.958) 5.613 17.721 ( -3.458 2.762 13.381) 14.093 17.983 ( 1.970 1.436 -9.943) 10.237 18.134 ( -2.297 -8.925 -4.030) 10.058 18.183 ( 1.041 -7.333 -6.850) 10.089 18.633 ( -8.981 3.576 -1.456) 9.776 18.685 ( 7.433 8.730 -7.466) 13.682 18.802 ( 7.421 -3.835 1.911) 8.569 18.863 ( -5.384 -3.165 -3.501) 7.160 19.907 ( 3.695 4.904 2.464) 6.616 20.017 ( -4.083 7.244 -6.469) 10.536 20.905 ( 2.659 -9.910 3.356) 10.795 20.942 ( -3.940 -6.817 -0.502) 7.890 21.398 ( 12.785 -3.655 13.347) 18.840 21.689 ( -12.298 -3.123 -12.920) 18.108 21.891 ( -5.217 -9.451 9.228) 14.202 22.040 ( 6.740 -6.122 -4.937) 10.357 22.197 ( -3.733 -3.886 6.360) 8.336 22.298 ( 2.586 -1.086 -2.777) 3.947 22.711 ( 2.101 -0.984 6.298) 6.712 22.864 ( -0.958 -2.368 -5.736) 6.279 22.915 ( 2.489 4.814 2.281) 5.879 22.978 ( -3.911 -2.204 -4.750) 6.536 23.353 ( 0.079 13.385 5.444) 14.450 23.419 ( 3.026 14.831 -2.604) 15.359 24.203 ( 7.068 16.845 14.090) 23.070 24.392 ( -12.599 11.350 1.103) 16.993 24.696 ( -1.066 0.066 4.955) 5.068 24.739 ( 0.424 1.019 0.732) 1.324 25.733 ( 3.678 2.039 0.137) 4.208 25.848 ( -3.322 1.118 -9.312) 9.950 26.236 ( 1.374 -0.042 -0.322) 1.412 26.301 ( -0.045 1.762 -5.281) 5.568 26.521 ( 2.661 -1.425 2.702) 4.051 26.575 ( -2.008 0.628 -2.295) 3.113 26.681 ( -5.057 4.941 -6.823) 9.825 26.726 ( 5.016 5.916 -8.342) 11.390 27.401 ( 4.909 -1.183 3.713) 6.267 27.500 ( -7.326 -2.237 -4.496) 8.881 27.890 ( -1.229 -12.326 -0.355) 12.393 27.915 ( 2.725 -6.805 -2.638) 7.791 28.399 ( 0.996 1.988 0.383) 2.256 28.421 ( -1.598 2.548 -1.928) 3.572 28.837 ( 7.382 10.515 1.665) 12.955 28.892 ( -7.383 7.363 -3.601) 11.031 29.230 ( -2.694 2.091 4.390) 5.559 29.279 ( 2.199 -0.128 -0.689) 2.308 29.621 ( -1.397 -5.537 10.452) 11.910 29.680 ( -2.932 -2.739 6.426) 7.576 29.901 ( 3.884 -3.465 2.363) 5.716 29.968 ( 0.847 -4.765 -4.486) 6.599 30.236 ( -1.388 2.645 13.753) 14.074 30.308 ( 2.186 0.473 5.850) 6.263 30.438 ( 1.842 0.084 -6.028) 6.304 30.500 ( 0.652 1.046 -9.048) 9.131 30.887 ( -5.089 1.639 3.394) 6.333 30.943 ( 2.960 1.087 -1.958) 3.712 31.013 ( -2.900 -4.841 2.567) 6.200 31.168 ( 4.822 -3.162 -10.232) 11.745 31.682 ( -8.291 2.072 4.792) 9.798 31.821 ( 7.760 2.120 -6.800) 10.534 31.988 ( 4.122 -5.611 2.351) 7.349 32.051 ( -4.558 -12.028 -3.168) 13.247 32.513 ( -8.596 -16.380 16.163) 24.565 32.776 ( 6.747 -18.644 -7.296) 21.127 33.899 ( 5.221 1.757 1.781) 5.790 33.938 ( -5.175 1.897 -1.783) 5.793 34.587 ( -0.113 -6.624 -0.837) 6.677 34.636 ( -0.853 -5.452 -5.180) 7.568 37.886 ( 4.512 30.979 5.014) 31.705 37.982 ( -4.618 29.832 -3.674) 30.410 39.116 ( 0.330 12.199 1.451) 12.289 39.166 ( -0.232 12.210 -3.008) 12.577 40.658 ( -0.363 -3.210 1.606) 3.608 40.671 ( 2.203 -3.459 0.204) 4.106 40.843 ( -1.460 3.913 1.785) 4.542 40.863 ( 0.407 5.114 0.153) 5.132 41.963 ( 0.823 -4.569 7.214) 8.579 42.134 ( -0.982 -5.238 -6.656) 8.527 42.252 ( -0.020 -2.181 -1.019) 2.407 42.272 ( -0.752 -3.071 -4.004) 5.102 44.096 ( -3.542 -6.317 1.321) 7.362 44.121 ( 4.202 -7.164 -1.077) 8.375 44.305 ( 0.544 -9.619 1.885) 9.817 44.337 ( -0.389 -10.496 -1.151) 10.566 44.743 ( 1.331 8.101 3.293) 8.845 44.807 ( -1.705 8.593 -2.404) 9.084 44.902 ( 1.422 15.298 3.038) 15.661 44.965 ( -1.842 15.123 -2.005) 15.366 45.137 ( -1.553 17.621 3.397) 18.012 45.213 ( 4.101 18.637 -3.133) 19.338 46.307 ( -9.127 -2.087 4.469) 10.374 46.436 ( 6.155 -3.006 -6.753) 9.619 47.172 ( -7.015 -2.077 1.749) 7.522 47.201 ( 4.185 -2.411 -0.855) 4.905 47.292 ( 2.192 0.517 7.049) 7.400 47.486 ( 1.321 -0.314 -10.605) 10.692 47.960 ( -2.949 -6.516 0.159) 7.154 47.970 ( 2.868 -5.370 -0.448) 6.105 48.376 ( 3.102 -6.632 7.668) 10.602 48.512 ( -3.893 -6.046 -4.868) 8.683 49.735 ( -0.733 -0.048 2.881) 2.973 49.809 ( 0.610 -0.306 -3.953) 4.011 50.148 ( 0.336 -4.172 4.919) 6.459 50.254 ( 1.643 -5.853 -4.606) 7.627 52.414 ( 2.561 0.676 1.161) 2.891 52.429 ( -2.424 0.735 -0.204) 2.541 52.734 ( -1.545 -1.931 1.539) 2.913 52.754 ( 1.514 -1.947 -0.245) 2.479 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -23.682 31.955 0.930) 39.785 2.445 ( -0.309 22.202 -1.018) 22.228 2.567 ( -27.041 10.716 6.557) 29.816 3.151 ( -3.839 14.513 -9.670) 17.857 3.174 ( -33.769 13.844 22.924) 43.099 3.281 ( -3.141 16.184 1.224) 16.531 3.560 ( -18.130 -0.695 -7.126) 19.493 3.696 ( -3.306 2.903 7.272) 8.499 3.747 ( 9.530 -3.770 -3.801) 10.930 3.920 ( 11.673 1.922 4.725) 12.739 3.959 ( 12.407 2.638 -4.141) 13.343 4.092 ( 2.881 9.072 -1.750) 9.678 4.159 ( 7.432 5.862 5.123) 10.763 4.367 ( -3.212 4.383 7.164) 8.992 4.500 ( 12.387 2.725 7.928) 14.957 4.547 ( -16.257 -0.324 19.336) 25.265 4.704 ( 4.338 -1.197 -3.710) 5.832 4.887 ( 4.267 3.661 -9.324) 10.887 4.937 ( 9.586 1.388 -15.276) 18.089 5.070 ( 3.887 3.324 0.874) 5.189 5.223 ( 16.819 6.271 -11.642) 21.395 5.418 ( 3.649 -1.581 -1.060) 4.115 5.464 ( 7.355 -1.602 -0.199) 7.530 5.670 ( -1.998 -5.720 -0.195) 6.062 5.802 ( 9.655 -3.389 -5.442) 11.590 5.949 ( -2.710 -6.833 10.714) 12.993 6.008 ( 9.328 -6.971 -2.339) 11.878 6.044 ( 7.879 -4.829 -8.292) 12.416 6.920 ( -5.920 -1.739 -16.624) 17.732 7.132 ( 2.986 -6.112 3.692) 7.740 7.246 ( -6.101 -1.943 -2.422) 6.846 7.270 ( -7.377 -1.919 -8.950) 11.756 7.364 ( 2.673 -3.210 2.130) 4.689 7.600 ( 4.551 -0.633 9.308) 10.381 7.698 ( -3.425 -5.723 -7.014) 9.679 7.799 ( 1.423 -4.390 5.729) 7.356 7.921 ( -9.029 -0.881 -1.912) 9.271 8.088 ( -4.163 -2.185 -5.377) 7.143 8.203 ( 6.154 -1.590 2.633) 6.880 8.273 ( 6.803 -0.393 4.939) 8.417 8.368 ( -7.329 1.781 16.066) 17.748 8.515 ( 3.960 -0.768 -8.447) 9.361 8.729 ( -5.796 2.861 11.636) 13.311 8.896 ( 4.879 -3.453 -7.501) 9.591 9.608 ( -12.275 4.748 6.743) 14.788 9.651 ( -6.643 3.264 10.539) 12.878 9.670 ( -2.447 3.353 -8.485) 9.446 9.911 ( 7.131 1.196 -6.552) 9.758 12.511 ( -13.465 5.847 -12.346) 19.181 12.893 ( 3.479 2.178 16.313) 16.821 13.194 ( -0.363 5.117 -8.571) 9.989 13.322 ( -0.348 9.310 7.410) 11.904 13.361 ( -5.547 -0.808 1.686) 5.854 13.706 ( 9.482 1.151 0.452) 9.562 14.638 ( -3.547 -3.332 1.052) 4.979 14.800 ( 8.225 0.430 -2.759) 8.686 16.460 ( -7.722 -0.048 4.179) 8.781 16.662 ( 5.553 -7.848 -5.140) 10.902 16.902 ( -0.797 1.621 -5.682) 5.962 17.060 ( 7.317 -2.776 -5.174) 9.382 17.876 ( 2.891 -0.177 2.647) 3.924 17.905 ( 0.719 -0.696 -3.189) 3.343 18.022 ( -3.990 -4.361 6.602) 8.861 18.199 ( 2.071 -5.902 -0.968) 6.329 18.530 ( -5.457 6.466 3.416) 9.125 18.697 ( -1.600 -3.940 -0.548) 4.288 18.800 ( 8.002 5.450 -1.150) 9.750 18.959 ( 7.428 -5.668 -0.048) 9.344 19.852 ( -7.081 6.874 -4.305) 10.766 19.994 ( -0.073 8.256 5.259) 9.789 20.863 ( -2.834 -8.443 -0.746) 8.937 21.047 ( 8.597 -9.331 2.154) 12.869 21.287 ( -17.092 -1.587 -13.585) 21.890 21.694 ( 2.678 -4.100 11.788) 12.764 21.875 ( -6.557 -4.683 3.386) 8.740 22.079 ( 4.612 -9.451 -3.560) 11.103 22.112 ( -8.489 0.561 0.119) 8.508 22.337 ( 3.067 -5.686 -1.371) 6.604 22.740 ( -2.109 -3.611 -5.503) 6.911 22.842 ( 0.716 -2.591 2.197) 3.472 22.854 ( -4.043 2.781 0.798) 4.972 23.003 ( 2.926 2.081 3.626) 5.103 23.307 ( -3.675 13.414 -2.566) 14.143 23.506 ( 7.623 14.143 -2.523) 16.263 24.160 ( -9.500 9.467 -6.340) 14.835 24.550 ( 10.329 6.863 10.260) 16.095 24.687 ( -1.786 1.634 -0.835) 2.561 24.811 ( 6.779 6.388 1.454) 9.427 25.674 ( -4.831 2.197 -3.106) 6.149 25.848 ( 3.994 0.448 5.079) 6.477 26.139 ( -7.887 2.383 -0.555) 8.258 26.325 ( 4.428 3.881 0.134) 5.890 26.493 ( -2.950 -2.237 -1.870) 4.147 26.585 ( 1.248 3.106 1.476) 3.658 26.615 ( -0.690 4.145 2.942) 5.130 26.810 ( 11.047 3.357 -0.743) 11.570 27.310 ( -7.781 -0.643 -1.433) 7.938 27.602 ( 9.707 -0.769 5.028) 10.959 27.875 ( -0.033 -9.024 0.324) 9.030 27.941 ( 3.571 -10.286 -1.982) 11.067 28.373 ( -2.020 1.702 0.520) 2.692 28.458 ( 3.654 1.904 0.666) 4.174 28.660 ( -10.511 10.517 -0.906) 14.897 29.045 ( 7.189 2.223 1.438) 7.661 29.262 ( 3.022 3.511 0.979) 4.734 29.314 ( 4.689 2.060 -1.096) 5.238 29.678 ( -2.379 -2.815 -0.334) 3.701 29.689 ( -1.611 -4.045 3.802) 5.780 29.875 ( -4.112 -6.089 -5.783) 9.350 29.924 ( -1.959 -2.760 -1.361) 3.648 30.291 ( -3.922 3.361 3.165) 6.058 30.358 ( -0.144 -1.353 -9.471) 9.568 30.389 ( 1.562 -0.189 -0.703) 1.724 30.501 ( 6.596 0.703 2.053) 6.944 30.830 ( -7.358 -0.834 3.982) 8.408 30.934 ( -2.552 3.549 -0.438) 4.393 31.018 ( -2.987 -5.818 4.701) 8.054 31.107 ( 1.919 -2.567 -7.325) 7.996 31.630 ( -7.687 2.861 6.970) 10.764 31.855 ( 5.016 -0.554 -6.218) 8.008 31.950 ( -2.300 -6.340 -1.267) 6.862 32.078 ( 2.585 -10.091 2.586) 10.733 32.527 ( -13.921 -26.731 12.355) 32.573 32.739 ( 4.273 -12.663 -10.842) 17.209 33.831 ( -4.771 2.004 -1.582) 5.411 34.020 ( 6.397 1.600 1.527) 6.768 34.584 ( -0.293 -5.957 -0.252) 5.969 34.612 ( 0.980 -4.901 2.927) 5.792 37.874 ( -2.560 27.073 -4.161) 27.510 38.049 ( 9.121 35.653 3.843) 37.001 39.126 ( -0.527 12.419 -2.122) 12.611 39.142 ( -0.175 11.875 2.313) 12.099 40.621 ( -3.638 -2.847 -0.584) 4.656 40.676 ( -1.284 -2.490 -2.172) 3.544 40.850 ( -0.285 2.606 1.783) 3.170 40.879 ( 1.772 5.670 -0.956) 6.017 42.032 ( 1.195 -6.169 -6.055) 8.726 42.104 ( 3.522 -4.537 6.693) 8.819 42.251 ( 0.717 -2.724 0.443) 2.851 42.260 ( 0.649 -2.284 1.206) 2.663 43.992 ( -9.355 -3.594 0.404) 10.030 44.085 ( -6.665 -11.538 -1.295) 13.387 44.347 ( 4.516 -8.557 -1.004) 9.728 44.383 ( 4.431 -9.718 0.578) 10.696 44.763 ( 0.298 7.004 -2.602) 7.478 44.827 ( 4.186 10.063 2.904) 11.279 44.897 ( -1.857 13.562 -1.703) 13.794 44.985 ( 2.980 15.738 2.083) 16.153 45.158 ( 0.281 18.945 2.213) 19.076 45.235 ( 6.261 21.123 -6.757) 23.044 46.247 ( -8.387 -1.771 8.873) 12.337 46.479 ( 7.223 -2.572 -3.375) 8.377 47.086 ( -7.287 -1.748 3.194) 8.146 47.240 ( 2.101 -2.064 -2.024) 3.573 47.432 ( 7.854 -1.223 -8.399) 11.564 47.442 ( 5.392 0.675 6.767) 8.679 47.909 ( -3.417 -7.065 0.502) 7.864 48.028 ( 4.522 -4.525 -0.224) 6.400 48.395 ( -1.971 -5.656 -6.004) 8.480 48.537 ( 5.476 -8.026 6.794) 11.856 49.740 ( -3.890 -0.356 3.629) 5.332 49.754 ( -1.643 -0.002 -3.322) 3.706 50.168 ( -3.818 -5.440 -0.821) 6.696 50.186 ( -2.345 -5.132 -2.440) 6.148 52.374 ( -3.445 1.636 -0.766) 3.889 52.453 ( 0.621 -1.348 0.278) 1.510 52.714 ( -3.029 -2.380 0.722) 3.920 52.760 ( 0.337 -1.737 -0.937) 2.003 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -25.738 25.477 9.439) 37.425 1.882 ( -36.115 25.298 5.519) 44.438 2.702 ( 7.190 23.777 -1.442) 24.882 2.927 ( -33.617 14.788 34.025) 50.065 3.029 ( -3.540 16.771 -3.023) 17.405 3.177 ( -16.283 -1.204 -1.380) 16.386 3.349 ( 0.785 18.697 2.919) 18.940 3.810 ( 1.941 0.788 8.322) 8.582 3.833 ( -7.263 -4.913 20.660) 22.444 4.006 ( 4.019 3.205 -9.369) 10.686 4.124 ( 12.550 0.156 -5.592) 13.741 4.156 ( 13.495 7.676 -5.026) 16.319 4.360 ( 1.559 6.575 1.714) 6.971 4.478 ( 1.180 2.541 4.710) 5.480 4.510 ( -4.757 4.027 7.992) 10.135 4.692 ( 6.349 -4.511 -0.915) 7.842 4.791 ( 11.872 4.114 -0.732) 12.586 4.891 ( 8.866 2.551 -2.915) 9.675 4.954 ( 3.836 0.589 -2.479) 4.605 5.131 ( 4.289 0.265 -0.146) 4.300 5.270 ( 1.333 0.650 -5.640) 5.832 5.363 ( -1.198 0.566 -0.586) 1.449 5.504 ( -6.731 1.733 3.988) 8.013 5.758 ( 7.992 -2.874 -16.140) 18.238 5.828 ( 13.048 -7.291 -8.700) 17.294 6.006 ( -0.133 -3.370 -0.687) 3.442 6.072 ( 3.986 -6.673 -3.275) 8.435 6.166 ( 10.729 -3.191 -4.145) 11.937 6.689 ( 6.202 0.656 -10.313) 12.052 6.926 ( -5.332 -1.145 -13.369) 14.439 7.177 ( -1.452 -3.806 0.020) 4.073 7.272 ( -0.361 -5.589 2.707) 6.221 7.420 ( 0.969 -3.246 2.290) 4.089 7.564 ( -3.035 -6.628 -6.082) 9.494 7.685 ( -4.250 -0.929 3.814) 5.786 7.788 ( -3.631 -2.432 0.866) 4.456 7.841 ( -2.975 -2.892 0.834) 4.232 7.990 ( -1.445 -1.554 -1.905) 2.852 8.293 ( 5.011 -0.897 -2.552) 5.694 8.360 ( 1.050 0.008 -0.285) 1.088 8.432 ( -7.580 0.931 11.737) 14.003 8.537 ( 6.763 -2.940 -1.543) 7.534 8.806 ( -4.383 2.716 12.295) 13.333 8.917 ( 5.364 -5.841 -1.790) 8.130 9.493 ( -9.770 5.748 2.529) 11.614 9.525 ( -4.519 4.700 -5.106) 8.282 9.660 ( -9.464 3.201 11.524) 15.252 9.928 ( 4.990 0.785 -5.893) 7.762 12.242 ( -7.475 7.108 -4.456) 11.237 12.886 ( -6.318 4.594 -6.553) 10.197 13.153 ( -8.406 2.054 8.041) 11.812 13.437 ( 6.309 6.754 15.809) 18.312 13.503 ( 3.543 -0.610 9.171) 9.850 13.838 ( 5.010 0.997 2.869) 5.859 14.554 ( -4.935 -5.947 -5.552) 9.515 14.914 ( 9.984 2.743 -2.175) 10.580 16.341 ( -6.175 4.184 -5.980) 9.560 16.624 ( 5.366 -6.254 -11.337) 14.016 16.792 ( -3.309 1.096 -8.916) 9.573 17.059 ( 8.748 -3.404 -10.490) 14.077 17.756 ( -6.614 -5.813 -6.112) 10.719 17.954 ( 6.115 -0.680 -1.685) 6.380 18.044 ( -6.708 -0.334 -2.293) 7.097 18.291 ( 4.035 -2.215 8.937) 10.053 18.527 ( -3.779 5.858 9.342) 11.656 18.839 ( 10.313 -4.072 11.107) 15.695 18.933 ( 6.541 5.437 -1.126) 8.579 19.020 ( 4.631 -6.387 -0.178) 7.891 19.738 ( -5.140 4.511 2.037) 7.136 20.003 ( -5.795 10.619 2.493) 12.351 20.812 ( -2.084 -8.854 -4.504) 10.150 20.889 ( -13.505 -0.112 -7.872) 15.632 21.207 ( 7.732 -8.101 1.152) 11.258 21.705 ( -12.387 -7.864 3.471) 15.077 21.783 ( -6.631 3.867 -4.025) 8.668 21.943 ( -12.277 -1.256 0.105) 12.341 22.103 ( 5.231 -7.161 -6.085) 10.755 22.378 ( 3.125 -7.437 1.521) 8.210 22.653 ( -0.592 -7.293 -3.621) 8.164 22.754 ( -4.399 8.277 -0.351) 9.380 22.920 ( -0.210 -6.253 3.275) 7.062 23.079 ( 0.143 3.168 3.541) 4.753 23.228 ( 0.684 15.449 -5.127) 16.291 23.549 ( 4.153 12.968 -6.543) 15.107 23.999 ( -5.726 8.114 -0.374) 9.938 24.583 ( -3.841 5.991 -10.491) 12.677 24.650 ( 1.836 3.085 -5.977) 6.973 24.816 ( 0.708 8.420 -12.367) 14.978 25.733 ( 3.692 0.226 5.771) 6.855 25.985 ( 2.801 0.879 5.043) 5.836 26.107 ( -3.968 -5.022 12.987) 14.479 26.382 ( 2.415 5.878 -2.261) 6.745 26.460 ( 1.390 -6.479 -0.533) 6.647 26.603 ( 0.691 5.170 0.095) 5.217 26.823 ( 13.890 4.032 22.801) 27.002 26.980 ( 6.080 -1.905 5.347) 8.318 27.251 ( 0.311 4.280 3.090) 5.288 27.771 ( 5.404 -2.728 0.491) 6.073 27.902 ( 1.305 -6.417 1.287) 6.674 28.002 ( 5.630 -7.891 2.745) 10.075 28.363 ( -3.017 1.935 4.498) 5.751 28.486 ( -0.661 5.419 -0.191) 5.462 28.602 ( 2.065 6.329 1.923) 6.929 29.086 ( -2.431 -2.030 1.735) 3.611 29.286 ( 2.013 -0.649 -3.921) 4.455 29.387 ( 4.385 4.061 -4.632) 7.561 29.554 ( -2.589 -4.178 -12.640) 13.562 29.700 ( -1.283 -4.003 0.161) 4.207 29.740 ( -1.071 -2.959 -2.707) 4.151 29.909 ( -2.258 -0.512 6.018) 6.448 30.183 ( -1.169 -0.629 -13.616) 13.680 30.230 ( -1.961 2.949 -6.947) 7.797 30.429 ( 0.527 0.586 3.234) 3.328 30.565 ( -2.285 -2.492 0.350) 3.399 30.771 ( -5.310 -5.220 -0.254) 7.451 30.887 ( -3.780 4.056 3.794) 6.718 31.013 ( -2.109 -5.115 0.962) 5.616 31.047 ( -5.018 -3.104 0.860) 5.963 31.614 ( -6.531 0.290 7.411) 9.882 31.788 ( -5.264 -6.460 0.188) 8.335 31.974 ( 6.408 1.751 -5.356) 8.533 32.107 ( -3.667 -18.486 2.727) 19.043 32.420 ( -14.554 -21.311 9.959) 27.661 32.668 ( 4.136 -8.030 -10.516) 13.863 33.772 ( -1.777 2.298 1.082) 3.100 34.116 ( 4.543 1.223 -0.100) 4.706 34.608 ( 0.878 -8.189 3.297) 8.871 34.699 ( 1.537 -8.640 7.093) 11.284 37.811 ( -0.016 25.740 -2.504) 25.862 38.217 ( 11.189 38.746 -5.051) 40.644 39.108 ( 0.277 12.529 -0.132) 12.532 39.171 ( -0.236 11.333 3.306) 11.807 40.563 ( -2.632 -1.695 -0.068) 3.131 40.610 ( -2.542 -1.209 -1.371) 3.131 40.857 ( -0.201 4.256 -0.605) 4.304 40.885 ( 1.461 3.285 -1.884) 4.059 42.018 ( 5.204 -6.283 -3.685) 8.952 42.199 ( 1.343 -5.049 1.241) 5.370 42.290 ( 1.107 -3.232 2.030) 3.974 42.327 ( 1.444 -3.799 7.368) 8.415 43.849 ( -9.079 -1.704 -0.050) 9.237 43.921 ( -10.861 -10.881 -2.517) 15.579 44.399 ( 3.894 -6.636 -1.128) 7.776 44.455 ( 3.621 -10.022 0.522) 10.668 44.749 ( 1.856 6.610 -2.468) 7.296 44.856 ( -0.692 12.856 -1.656) 12.981 44.921 ( 4.301 10.624 0.418) 11.469 45.041 ( 0.857 12.688 2.013) 12.875 45.204 ( 5.881 27.110 -6.210) 28.427 45.215 ( 3.850 18.741 -7.713) 20.628 46.336 ( 1.803 -0.665 16.412) 16.524 46.561 ( 5.938 -1.646 -0.253) 6.167 47.040 ( -5.263 -1.930 5.513) 7.862 47.235 ( 4.194 -2.444 -4.986) 6.959 47.494 ( 9.142 -1.841 -4.231) 10.240 47.612 ( 5.126 1.828 6.635) 8.581 47.873 ( -1.855 -8.396 1.011) 8.658 48.099 ( 4.435 -3.171 -0.100) 5.453 48.304 ( 0.892 -5.383 -6.648) 8.600 48.687 ( 3.688 -11.505 2.931) 12.432 49.686 ( -1.866 0.016 -2.770) 3.340 49.706 ( -6.753 -0.783 3.700) 7.740 49.994 ( -8.112 -4.443 -6.915) 11.548 50.149 ( -6.423 -4.259 3.947) 8.658 52.311 ( -3.143 1.972 -1.164) 3.889 52.411 ( -5.179 -2.858 -2.541) 6.438 52.667 ( -3.345 -1.953 0.598) 3.919 52.744 ( -0.239 -1.551 -1.582) 2.229 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.697 24.176 33.957) 41.689 1.678 ( -12.984 32.937 22.200) 41.788 2.574 ( -2.179 27.742 -19.465) 33.959 2.980 ( -29.402 8.564 51.107) 59.579 3.073 ( 4.805 13.411 4.585) 14.966 3.108 ( -0.591 5.310 10.328) 11.629 3.376 ( -2.698 19.360 4.460) 20.049 3.791 ( -0.571 2.748 -26.277) 26.426 3.931 ( -4.807 -4.138 13.607) 15.013 4.044 ( -4.655 -0.145 22.026) 22.513 4.148 ( 0.381 0.993 -13.485) 13.527 4.258 ( 8.952 4.358 -6.946) 12.140 4.342 ( -11.073 1.911 11.401) 16.007 4.488 ( -5.027 2.094 11.016) 12.289 4.590 ( 10.174 4.813 -5.415) 12.489 4.779 ( 5.045 -1.921 1.206) 5.531 4.886 ( 4.592 2.213 -8.718) 10.099 4.935 ( 3.377 3.565 0.196) 4.914 5.072 ( 5.092 0.627 0.941) 5.217 5.161 ( 3.666 3.618 -5.459) 7.505 5.232 ( 5.379 -4.328 -3.972) 7.965 5.312 ( -3.941 1.098 -7.568) 8.603 5.444 ( 5.479 3.611 -20.382) 21.412 5.499 ( -1.538 0.549 -12.206) 12.315 5.819 ( 4.603 -6.426 -12.749) 15.000 5.966 ( 5.534 -0.726 -15.557) 16.528 6.070 ( -5.035 -6.462 7.877) 11.365 6.238 ( 6.956 -4.603 -5.843) 10.184 6.818 ( 3.694 -0.555 -2.482) 4.485 6.853 ( 15.373 -1.004 3.281) 15.751 7.170 ( -1.157 -4.115 1.538) 4.543 7.240 ( -4.213 -3.445 -1.510) 5.648 7.439 ( -2.154 -6.330 -5.151) 8.441 7.473 ( -0.196 -4.815 2.030) 5.229 7.600 ( -8.627 -0.291 0.792) 8.668 7.774 ( -3.992 -4.063 0.822) 5.755 7.841 ( 3.049 -3.599 3.590) 5.928 8.029 ( 4.353 -1.075 4.485) 6.341 8.253 ( -1.969 -0.600 -5.854) 6.205 8.377 ( 0.686 -1.265 -0.538) 1.537 8.438 ( -5.719 1.243 7.099) 9.200 8.606 ( 3.702 -3.358 -1.806) 5.315 8.882 ( -3.852 1.716 10.015) 10.867 8.996 ( 4.264 -8.188 1.072) 9.294 9.393 ( -8.910 6.812 3.965) 11.896 9.427 ( 1.638 4.881 -5.848) 7.791 9.662 ( -9.015 3.474 12.108) 15.490 9.920 ( 4.417 1.061 -6.804) 8.181 12.179 ( 0.186 7.653 2.862) 8.173 12.683 ( -6.983 5.319 -8.975) 12.555 13.190 ( -2.908 2.967 13.259) 13.894 13.625 ( 2.530 -2.405 5.661) 6.650 13.742 ( 4.702 0.768 11.347) 12.307 13.938 ( -3.942 4.488 12.968) 14.278 14.362 ( -2.802 -6.795 -11.661) 13.785 15.000 ( 6.212 1.836 -6.743) 9.350 16.165 ( -0.273 1.454 -11.359) 11.455 16.536 ( -3.170 -5.076 -13.057) 14.363 16.695 ( 5.068 7.158 1.005) 8.828 17.056 ( 6.130 4.960 -10.596) 13.208 17.567 ( -4.772 -4.317 -7.162) 9.628 17.838 ( -12.108 2.682 -5.052) 13.391 18.103 ( 9.848 -3.445 5.212) 11.662 18.401 ( 1.970 -3.672 4.260) 5.959 18.632 ( -2.279 -2.043 8.787) 9.305 18.827 ( -6.174 0.780 -7.263) 9.565 19.186 ( 13.115 -0.634 6.459) 14.633 19.247 ( 15.286 -1.600 11.850) 19.407 19.723 ( -5.427 2.047 5.963) 8.318 19.865 ( -12.494 12.038 -1.648) 17.428 20.638 ( -0.082 0.477 -6.225) 6.244 20.786 ( -2.952 -6.870 -1.663) 7.660 21.224 ( -6.096 -4.055 -2.428) 7.713 21.414 ( -18.037 -10.525 -6.164) 21.774 21.655 ( -1.766 6.731 -1.399) 7.098 21.778 ( -8.419 3.390 -0.708) 9.104 22.176 ( 10.639 -5.279 -0.054) 11.877 22.424 ( -1.769 -5.429 2.906) 6.407 22.669 ( 3.584 -9.129 2.263) 10.065 22.720 ( -1.085 6.840 0.780) 6.969 22.911 ( -3.870 -7.061 0.727) 8.085 23.073 ( -3.260 5.260 0.653) 6.223 23.223 ( 5.562 16.490 -4.519) 17.980 23.422 ( -7.591 17.100 -9.737) 21.091 23.965 ( -5.595 10.098 7.953) 14.018 24.322 ( -1.404 18.136 -15.410) 23.841 24.597 ( -2.735 -1.045 -0.614) 2.992 24.711 ( -0.240 0.483 -6.116) 6.140 25.806 ( 1.666 -0.434 2.141) 2.747 25.993 ( -2.250 2.689 -0.745) 3.585 26.225 ( 0.175 -6.100 6.674) 9.043 26.357 ( 0.294 0.442 -2.927) 2.974 26.491 ( 2.829 -2.987 -0.392) 4.133 26.603 ( -0.254 4.336 -0.864) 4.428 27.060 ( 1.621 -3.645 5.738) 6.989 27.299 ( 4.131 4.280 2.141) 6.322 27.636 ( 32.177 -7.097 17.512) 37.315 27.817 ( 3.278 -1.319 0.425) 3.559 27.912 ( -2.396 -1.118 2.214) 3.449 28.126 ( 3.094 -6.969 2.253) 7.951 28.425 ( -0.616 0.901 9.945) 10.005 28.501 ( 2.580 3.995 3.357) 5.821 28.675 ( 2.791 2.243 1.327) 3.819 29.035 ( -5.394 -2.208 -0.687) 5.868 29.224 ( -1.108 -0.496 -6.690) 6.799 29.314 ( -1.904 1.290 -8.109) 8.429 29.349 ( -4.804 -7.690 -6.264) 11.020 29.645 ( -1.553 -3.846 -3.628) 5.511 29.789 ( 5.160 -0.664 -1.651) 5.458 29.977 ( -2.170 -0.710 4.066) 4.663 30.068 ( -4.433 0.969 0.232) 4.544 30.094 ( 6.963 3.684 -8.096) 11.296 30.433 ( -6.117 0.142 0.497) 6.139 30.478 ( -6.546 -0.014 -3.376) 7.366 30.678 ( -0.622 -5.792 0.418) 5.840 30.891 ( -5.001 0.608 2.627) 5.681 30.972 ( -4.793 -2.765 2.038) 5.897 30.999 ( -1.525 -2.896 0.950) 3.409 31.600 ( -4.138 -6.293 4.278) 8.662 31.728 ( -6.484 -8.091 2.474) 10.660 31.950 ( -0.575 -6.483 -0.903) 6.571 32.095 ( -1.113 -4.967 1.764) 5.387 32.386 ( -7.281 -8.893 9.931) 15.189 32.615 ( 5.518 -4.889 -9.885) 12.332 33.815 ( 2.139 2.003 5.138) 5.915 34.142 ( 0.754 0.808 -2.709) 2.925 34.680 ( 1.305 -10.453 5.010) 11.664 34.798 ( 0.665 -15.557 4.663) 16.254 37.816 ( 2.327 25.910 0.338) 26.017 38.200 ( 2.234 37.134 -13.719) 39.650 39.129 ( 1.141 12.769 1.378) 12.894 39.208 ( 0.099 11.350 1.565) 11.458 40.544 ( -1.154 -1.990 1.293) 2.639 40.603 ( 1.568 -2.969 0.709) 3.432 40.847 ( 2.463 5.348 -2.691) 6.473 40.873 ( -0.625 1.981 -1.087) 2.345 42.086 ( 6.378 -7.108 -0.759) 9.581 42.210 ( -0.054 -5.166 -0.298) 5.175 42.334 ( 0.667 -4.847 2.794) 5.635 42.405 ( -2.047 -5.640 4.556) 7.534 43.727 ( -6.826 -1.272 -0.502) 6.961 43.736 ( -7.379 -2.913 -1.348) 8.047 44.443 ( 2.939 -5.552 0.019) 6.282 44.499 ( 1.463 -10.083 0.150) 10.189 44.755 ( 2.598 7.822 -2.044) 8.492 44.831 ( -0.456 13.851 -1.300) 13.919 44.951 ( 0.807 9.420 -1.740) 9.613 45.049 ( -0.235 16.534 -7.252) 18.056 45.111 ( 0.254 20.936 -1.980) 21.031 45.236 ( 1.997 15.875 -2.329) 16.168 46.617 ( 9.767 -1.361 2.856) 10.266 46.646 ( 4.736 -0.399 3.018) 5.630 47.090 ( 0.580 -3.854 9.195) 9.987 47.260 ( 6.572 -4.161 -4.757) 9.117 47.584 ( 7.539 -2.101 -2.109) 8.105 47.702 ( -2.069 0.471 2.414) 3.214 47.930 ( 5.742 -7.190 4.058) 10.056 48.132 ( 1.523 -2.754 -2.346) 3.925 48.286 ( 6.087 -4.211 -4.440) 8.632 48.594 ( -16.423 -10.664 -3.737) 19.935 49.639 ( -6.054 -0.556 3.278) 6.907 49.644 ( 0.335 -0.153 -1.881) 1.917 49.895 ( 2.404 -3.000 1.911) 4.294 50.085 ( -8.383 -4.088 4.122) 10.196 52.239 ( -6.003 0.695 -0.737) 6.087 52.275 ( -4.395 2.594 -2.001) 5.482 52.643 ( -1.738 -1.681 1.683) 2.946 52.718 ( -0.150 -1.517 -1.961) 2.484 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 14.099 10.645 39.364) 43.146 2.677 ( -3.493 32.591 23.215) 40.166 3.074 ( 2.222 35.507 -15.060) 38.633 3.155 ( 1.673 -2.988 3.255) 4.725 3.358 ( -6.033 6.173 -16.385) 18.519 3.593 ( -8.829 19.585 22.707) 31.259 3.621 ( -6.988 6.108 -12.464) 15.540 3.814 ( 1.078 12.611 0.417) 12.664 3.943 ( -11.166 3.378 11.372) 16.291 4.060 ( -8.182 19.941 19.754) 29.237 4.196 ( 1.228 0.919 7.185) 7.347 4.234 ( -6.480 -1.046 4.706) 8.076 4.394 ( 1.393 2.239 -0.454) 2.676 4.583 ( -7.481 2.377 6.002) 9.881 4.719 ( 6.970 -0.376 -3.486) 7.802 4.831 ( -8.325 2.009 8.651) 12.173 4.929 ( 6.877 1.386 -11.147) 13.170 5.030 ( 3.963 4.810 -14.366) 15.660 5.073 ( 10.423 2.355 -8.521) 13.667 5.170 ( 7.950 0.347 -11.352) 13.863 5.235 ( 3.751 6.080 -14.805) 16.439 5.282 ( 0.697 2.607 -6.509) 7.046 5.353 ( 2.906 3.994 -0.842) 5.011 5.468 ( 2.133 0.183 -4.677) 5.143 5.620 ( -0.101 -7.026 -0.778) 7.070 5.737 ( 1.267 -7.717 -8.346) 11.437 5.945 ( -1.298 -11.103 3.496) 11.712 6.065 ( 2.711 -9.693 -10.116) 14.270 6.916 ( 8.148 -0.628 2.820) 8.645 6.995 ( -3.325 -3.524 -2.995) 5.696 7.073 ( 0.625 -8.047 2.280) 8.387 7.144 ( 5.646 -5.128 1.235) 7.727 7.147 ( 3.039 -6.607 -0.488) 7.288 7.267 ( -8.278 -4.568 -5.530) 10.953 7.503 ( 0.535 -7.708 3.130) 8.336 7.568 ( -3.774 -8.383 -2.873) 9.632 7.903 ( 0.596 0.616 9.210) 9.250 8.099 ( 1.123 1.580 -6.604) 6.882 8.151 ( -4.288 -2.749 7.381) 8.968 8.311 ( -0.960 -2.256 -5.169) 5.721 8.475 ( -5.208 2.115 5.520) 7.879 8.561 ( 1.713 -1.498 -0.715) 2.386 8.927 ( -3.700 -1.767 4.238) 5.897 8.938 ( 2.475 -2.278 2.932) 4.462 9.485 ( -5.276 8.072 3.092) 10.127 9.554 ( 4.482 5.980 -3.162) 8.115 9.775 ( -4.104 4.314 8.322) 10.232 9.935 ( 4.893 0.766 -6.104) 7.860 12.511 ( 6.586 11.751 5.304) 14.478 12.642 ( -6.141 9.435 -6.858) 13.182 13.426 ( 4.606 1.269 11.616) 12.561 13.576 ( -3.090 -2.923 -1.215) 4.424 13.763 ( -1.643 -4.928 4.578) 6.925 13.948 ( -2.392 -3.453 -10.989) 11.764 14.414 ( 2.107 5.101 23.274) 23.920 14.867 ( -0.059 -2.059 -15.853) 15.986 16.116 ( -2.422 2.629 -2.111) 4.151 16.278 ( 1.671 -0.525 -14.393) 14.499 17.029 ( 1.724 7.076 3.427) 8.049 17.116 ( 3.454 1.280 -4.773) 6.029 17.508 ( 7.292 0.784 1.010) 7.403 17.565 ( -12.562 0.087 -3.591) 13.066 18.216 ( 6.307 -7.012 3.533) 10.071 18.261 ( -3.869 -10.649 -0.402) 11.337 18.619 ( 2.767 3.732 5.975) 7.568 18.731 ( -6.446 5.622 -4.076) 9.475 19.312 ( 9.789 -14.602 11.086) 20.783 19.405 ( -7.024 -10.289 2.742) 12.756 19.863 ( 9.847 11.919 -1.447) 15.528 19.922 ( -8.574 12.931 -6.020) 16.643 20.528 ( -3.072 -8.809 -1.801) 9.501 20.592 ( 4.498 -7.770 -7.001) 11.385 21.103 ( -0.147 2.164 4.147) 4.680 21.174 ( -2.807 4.651 -2.624) 6.033 21.656 ( 0.302 -4.278 5.879) 7.277 21.767 ( -0.326 -1.292 -4.636) 4.823 22.214 ( -7.364 -3.206 4.160) 9.045 22.281 ( 7.423 -2.392 -2.279) 8.125 22.542 ( -0.712 -8.299 2.001) 8.567 22.587 ( 1.136 -9.959 -2.137) 10.249 23.204 ( 0.546 22.325 8.604) 23.931 23.320 ( -2.274 17.867 1.598) 18.082 23.593 ( -5.125 16.831 -4.361) 18.127 23.658 ( 6.850 16.906 -8.346) 20.060 24.235 ( -2.568 9.880 9.197) 13.741 24.434 ( 0.645 6.659 -7.227) 9.848 24.543 ( -2.228 -0.376 -0.150) 2.265 24.623 ( 0.018 -1.359 -5.480) 5.646 25.854 ( 1.831 -0.508 4.709) 5.078 25.960 ( -2.256 1.286 -4.962) 5.600 26.151 ( 1.241 -8.007 4.907) 9.472 26.227 ( -0.787 -6.617 -2.985) 7.302 26.626 ( 0.580 8.288 4.637) 9.514 26.728 ( -0.312 10.408 -4.463) 11.329 27.127 ( 2.558 -2.081 8.964) 9.551 27.300 ( -3.060 -0.696 -6.935) 7.612 27.826 ( -2.997 -4.460 3.628) 6.483 27.882 ( 3.881 -4.584 -1.588) 6.212 27.936 ( 13.304 -9.390 6.140) 17.403 27.971 ( -7.485 -5.492 1.973) 9.491 28.538 ( 4.331 0.297 6.767) 8.040 28.616 ( -0.091 -3.596 3.668) 5.137 28.737 ( -3.428 6.055 1.958) 7.228 28.864 ( -2.087 -0.709 -7.280) 7.606 29.062 ( -4.166 -2.503 -0.403) 4.877 29.161 ( 1.820 -1.482 -7.488) 7.847 29.303 ( -1.804 -0.861 9.150) 9.366 29.486 ( -1.841 -5.334 -2.528) 6.183 29.830 ( -8.936 2.997 -4.581) 10.480 29.850 ( 6.858 -0.396 -2.049) 7.168 30.077 ( -1.631 -4.485 7.665) 9.029 30.222 ( 6.300 -3.213 -6.121) 9.353 30.373 ( 0.149 5.326 -0.153) 5.330 30.396 ( -0.615 5.752 -1.986) 6.116 30.721 ( 7.915 -3.514 3.018) 9.171 30.743 ( -7.045 -4.170 0.284) 8.191 30.966 ( 0.194 2.966 0.408) 3.000 30.990 ( -0.217 2.295 -1.354) 2.673 31.404 ( -0.222 -8.458 2.427) 8.802 31.457 ( -2.326 -7.940 -2.551) 8.658 31.976 ( -2.723 0.395 8.530) 8.963 32.132 ( 4.330 1.953 -4.975) 6.878 32.257 ( -5.976 -6.751 9.177) 12.865 32.466 ( 6.249 -6.782 -9.505) 13.243 33.989 ( 2.135 3.714 6.294) 7.613 34.111 ( -2.084 2.929 -4.994) 6.153 34.497 ( -0.432 -11.664 2.807) 12.005 34.535 ( 0.182 -10.776 -0.602) 10.794 38.570 ( 2.279 34.038 5.998) 34.637 38.747 ( -2.618 32.414 -10.777) 34.259 39.478 ( 0.501 14.787 0.947) 14.826 39.492 ( -0.118 13.071 -0.040) 13.071 40.514 ( -0.056 -1.510 1.968) 2.481 40.558 ( 0.658 -1.702 -1.832) 2.586 40.879 ( -2.545 1.644 1.145) 3.240 40.925 ( 1.792 1.371 -3.387) 4.069 41.958 ( -0.509 -9.264 3.943) 10.081 42.040 ( 0.239 -6.494 -3.895) 7.577 42.211 ( 0.536 -9.717 3.895) 10.483 42.267 ( -0.463 -7.998 -1.201) 8.101 43.683 ( -0.420 2.760 1.387) 3.117 43.718 ( 0.780 3.313 -1.718) 3.812 44.268 ( -1.116 -12.080 0.797) 12.158 44.280 ( 0.995 -11.407 -0.263) 11.453 45.051 ( 2.862 12.502 2.070) 12.992 45.106 ( -1.964 13.644 -2.393) 13.991 45.166 ( -0.437 12.010 1.909) 12.168 45.261 ( -1.868 12.459 -6.126) 14.008 45.552 ( 0.497 21.690 -0.118) 21.696 45.596 ( 0.147 20.088 -2.882) 20.294 46.645 ( -1.772 -2.641 1.835) 3.672 46.696 ( 3.555 -3.911 -2.856) 6.008 47.032 ( -1.871 -6.824 4.997) 8.663 47.128 ( 1.733 -7.500 -3.961) 8.657 47.539 ( -2.435 -9.674 1.015) 10.027 47.568 ( 2.559 -7.723 -1.728) 8.317 47.960 ( -2.665 0.054 4.034) 4.835 48.045 ( 1.008 -1.376 -3.817) 4.181 48.241 ( -9.171 -3.017 2.240) 9.911 48.281 ( 8.302 -4.333 -1.403) 9.469 49.594 ( -3.470 0.362 2.978) 4.587 49.655 ( 4.553 -0.047 -2.567) 5.226 49.881 ( -0.364 -6.533 2.465) 6.992 49.909 ( 1.451 -5.970 -0.294) 6.150 52.269 ( -0.893 5.246 2.373) 5.827 52.321 ( 0.646 5.071 -2.343) 5.623 52.596 ( -0.568 -3.358 2.150) 4.028 52.643 ( 0.517 -3.363 -2.169) 4.035 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -7.423 8.409 -37.546) 39.186 2.833 ( -2.659 29.971 -4.825) 30.473 2.939 ( 4.207 34.431 13.101) 37.078 3.110 ( 3.885 14.175 25.701) 29.607 3.282 ( -7.999 -0.971 -11.965) 14.425 3.555 ( -2.056 9.575 9.000) 13.301 3.737 ( 0.863 18.222 6.549) 19.382 3.826 ( 3.343 14.370 7.342) 16.480 3.964 ( -9.433 -2.628 4.269) 10.682 4.147 ( -1.838 6.367 10.071) 12.056 4.198 ( -9.164 1.879 10.286) 13.904 4.338 ( 3.403 -4.125 -2.775) 6.025 4.545 ( -4.326 2.187 4.557) 6.654 4.576 ( 7.123 11.526 25.908) 29.237 4.732 ( 9.724 5.926 -23.473) 26.090 4.742 ( 2.606 5.551 -11.968) 13.448 4.784 ( -4.443 2.950 -4.016) 6.676 4.950 ( -0.904 -0.373 -2.838) 3.002 5.022 ( -3.022 2.184 0.875) 3.830 5.178 ( 5.932 -2.527 -6.669) 9.276 5.226 ( -1.847 2.158 -4.087) 4.977 5.262 ( 5.615 5.635 -3.091) 8.534 5.367 ( 11.259 3.165 -7.805) 14.061 5.488 ( 4.212 0.652 -1.540) 4.531 5.579 ( -4.086 -4.219 1.261) 6.007 5.733 ( 4.990 -5.852 -1.350) 7.808 5.937 ( -4.283 -10.351 2.937) 11.581 6.019 ( 1.617 -13.598 -3.674) 14.178 6.833 ( -7.454 -1.875 -4.884) 9.107 6.944 ( -10.424 -2.433 -7.460) 13.047 7.078 ( -1.078 -8.263 -1.563) 8.479 7.119 ( 2.266 -4.099 2.908) 5.513 7.155 ( 4.630 -6.796 1.430) 8.346 7.342 ( 3.798 -7.683 0.543) 8.588 7.524 ( 2.312 -5.803 2.402) 6.692 7.598 ( 3.743 -8.737 4.420) 10.482 7.955 ( -2.610 1.562 -6.158) 6.868 8.022 ( -1.451 0.716 4.008) 4.323 8.175 ( -9.323 -3.238 10.802) 14.632 8.188 ( -4.794 -1.904 -4.175) 6.636 8.459 ( -3.991 2.700 4.935) 6.897 8.601 ( 3.062 -1.934 -1.217) 3.821 8.911 ( -2.183 -0.564 0.883) 2.422 9.003 ( 3.481 -2.176 -0.363) 4.121 9.470 ( -1.736 8.708 3.198) 9.438 9.604 ( 5.734 4.946 -1.722) 7.765 9.822 ( -1.357 4.074 5.730) 7.161 9.941 ( 6.880 1.208 -7.592) 10.317 12.484 ( -3.614 10.804 -5.803) 12.785 12.697 ( 8.110 9.143 5.394) 13.359 13.456 ( -3.207 -0.202 -5.765) 6.600 13.599 ( 2.605 -0.188 0.546) 2.668 13.831 ( 0.895 -3.677 -2.706) 4.653 13.893 ( 5.206 -4.685 10.553) 12.666 14.619 ( 0.606 4.209 -22.013) 22.420 14.732 ( 3.237 0.722 17.544) 17.855 15.954 ( -13.513 -0.072 2.970) 13.835 16.284 ( 4.092 -1.590 1.553) 4.656 17.003 ( -7.975 0.388 -0.291) 7.990 17.014 ( -5.243 9.493 -5.699) 12.251 17.445 ( 0.248 3.043 2.671) 4.056 17.747 ( 14.634 -2.038 4.107) 15.335 18.135 ( -6.983 -6.232 -3.611) 10.032 18.295 ( 0.204 -9.268 0.277) 9.274 18.638 ( 0.289 0.335 -2.613) 2.651 18.786 ( 6.431 6.065 6.658) 11.067 19.196 ( -13.287 -10.474 -6.471) 18.114 19.454 ( -4.423 -3.720 -0.396) 5.793 19.810 ( 3.460 3.108 -2.124) 5.112 20.052 ( 11.103 10.742 2.170) 15.600 20.428 ( -5.883 -6.507 1.468) 8.894 20.632 ( 5.634 -7.614 -1.267) 9.556 21.117 ( 1.053 -0.488 0.750) 1.382 21.287 ( 12.169 2.463 2.559) 12.676 21.657 ( -1.232 -6.573 -1.442) 6.841 21.820 ( 7.556 -0.594 1.177) 7.670 22.024 ( -16.750 -0.689 2.141) 16.901 22.353 ( 0.947 -5.152 -1.909) 5.576 22.503 ( -2.358 -8.468 0.262) 8.794 22.663 ( 7.260 -7.382 -1.168) 10.419 23.278 ( 1.037 21.091 -6.072) 21.972 23.332 ( 2.533 20.404 6.094) 21.444 23.480 ( -6.528 17.750 3.802) 19.291 23.715 ( 8.281 14.214 -3.999) 16.929 24.334 ( 0.648 9.502 6.218) 11.375 24.372 ( 2.817 9.375 -3.647) 10.447 24.529 ( -2.581 -2.724 2.956) 4.777 24.620 ( 3.171 -0.452 1.065) 3.375 25.873 ( -1.199 0.656 -4.540) 4.741 25.952 ( 2.653 0.149 4.895) 5.570 26.174 ( -0.656 -8.198 -3.522) 8.947 26.208 ( 0.190 -6.633 3.020) 7.290 26.653 ( -1.618 10.485 -3.881) 11.297 26.691 ( 0.170 8.975 3.491) 9.631 27.138 ( -5.293 -2.317 -6.137) 8.429 27.272 ( 1.733 -1.305 6.433) 6.789 27.705 ( -13.947 -4.839 -3.327) 15.133 27.781 ( -10.645 -9.912 -4.008) 15.087 27.909 ( -1.599 -4.160 -1.793) 4.804 28.056 ( 1.999 -2.653 -1.032) 3.478 28.549 ( -1.025 2.243 -4.164) 4.839 28.636 ( -2.795 0.855 -3.046) 4.221 28.806 ( 7.601 3.379 2.438) 8.668 28.899 ( 7.297 -3.254 3.575) 8.754 29.060 ( 0.247 -1.556 8.249) 8.399 29.158 ( 4.590 -3.141 -2.766) 6.211 29.339 ( -4.881 0.764 -0.445) 4.960 29.452 ( 0.489 -2.962 4.332) 5.271 29.693 ( -7.991 1.218 4.145) 9.084 29.941 ( 6.000 -1.196 0.223) 6.122 30.051 ( -7.359 -0.243 1.783) 7.576 30.158 ( -1.755 -1.912 -6.336) 6.847 30.428 ( 8.242 1.347 -2.297) 8.661 30.501 ( 9.895 4.266 0.748) 10.801 30.633 ( -4.378 -2.443 -0.807) 5.078 30.881 ( 8.602 -6.589 -0.988) 10.881 30.976 ( 1.908 1.467 -0.682) 2.502 31.001 ( 2.315 4.063 1.328) 4.861 31.421 ( 0.362 -10.003 0.155) 10.010 31.468 ( 2.548 -7.975 3.595) 9.111 32.008 ( -3.894 0.293 4.536) 5.985 32.119 ( 4.571 1.528 -8.036) 9.371 32.266 ( -8.052 -7.006 10.058) 14.666 32.439 ( 5.745 -7.130 -9.754) 13.378 33.999 ( -3.132 4.147 -4.979) 7.197 34.090 ( 0.770 2.710 4.726) 5.502 34.481 ( -2.840 -11.292 0.103) 11.644 34.554 ( 1.656 -11.685 -0.135) 11.802 38.591 ( -2.695 35.341 -6.897) 36.108 38.695 ( 1.836 32.676 8.095) 33.714 39.461 ( -1.833 13.754 -0.444) 13.883 39.509 ( 1.298 13.789 -0.265) 13.852 40.538 ( 0.274 -1.031 0.805) 1.336 40.543 ( 0.924 -2.093 -1.658) 2.826 40.861 ( -2.365 2.811 2.697) 4.557 40.922 ( 1.012 0.408 -1.027) 1.498 41.917 ( -5.296 -5.969 -0.234) 7.984 42.058 ( 2.608 -7.708 0.305) 8.143 42.244 ( 0.592 -8.462 -2.415) 8.820 42.267 ( 1.571 -10.003 1.886) 10.299 43.719 ( 2.983 2.069 0.945) 3.752 43.734 ( 4.034 1.872 -1.390) 4.659 44.243 ( -3.101 -11.487 0.539) 11.910 44.276 ( -1.031 -11.500 -0.428) 11.554 45.018 ( -3.660 13.534 -2.541) 14.249 45.120 ( 1.773 13.171 2.221) 13.474 45.181 ( -0.694 12.755 -2.057) 12.938 45.237 ( 1.807 13.364 5.231) 14.464 45.538 ( -1.966 20.305 -0.926) 20.421 45.585 ( 0.627 20.230 0.127) 20.240 46.584 ( -7.358 -4.021 0.044) 8.385 46.661 ( -3.808 -4.082 -1.985) 5.925 47.050 ( -2.817 -4.072 4.612) 6.766 47.096 ( 1.112 -6.526 -4.311) 7.900 47.478 ( -5.977 -5.873 0.530) 8.396 47.601 ( 2.954 -11.003 -0.500) 11.404 47.936 ( -6.374 -3.025 3.252) 7.769 47.986 ( -2.479 0.372 -1.369) 2.856 48.149 ( -6.696 -3.265 0.522) 7.468 48.401 ( 7.669 -6.563 -0.024) 10.094 49.603 ( 0.471 1.207 2.070) 2.442 49.711 ( 7.080 -0.806 -3.717) 8.037 49.840 ( -1.073 -3.577 -0.095) 3.736 50.007 ( 7.038 -8.608 -1.269) 11.191 52.305 ( 1.924 5.033 1.204) 5.521 52.331 ( 3.709 4.441 -0.863) 5.850 52.622 ( 0.382 -3.240 2.172) 3.919 52.632 ( 1.570 -3.282 -2.081) 4.192 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 14.616 12.046 -26.444) 32.527 2.745 ( 8.070 22.711 -9.087) 25.758 3.074 ( 5.024 18.593 -6.199) 20.233 3.196 ( 1.484 20.498 11.028) 23.324 3.387 ( -11.918 16.497 12.607) 23.940 3.539 ( -7.712 12.855 19.211) 24.368 3.743 ( -4.453 17.331 1.548) 17.960 3.822 ( -15.842 13.761 6.083) 21.848 3.951 ( 1.765 -3.137 -0.394) 3.621 4.163 ( -8.841 5.338 9.236) 13.855 4.253 ( -3.044 -1.556 -5.101) 6.141 4.270 ( 0.037 2.128 2.579) 3.344 4.473 ( 2.497 8.596 -16.167) 18.480 4.566 ( 4.077 1.346 -10.959) 11.770 4.583 ( 4.317 4.617 -12.118) 13.667 4.740 ( 0.472 3.182 -0.327) 3.233 4.884 ( -7.909 1.764 0.939) 8.158 5.017 ( -0.583 -0.136 -0.581) 0.834 5.062 ( -1.784 -0.697 -5.399) 5.728 5.119 ( 9.123 3.028 2.958) 10.058 5.212 ( 9.374 -0.912 7.238) 11.879 5.383 ( 3.652 0.521 1.191) 3.876 5.472 ( 12.333 2.269 -9.816) 15.925 5.521 ( 2.439 0.835 0.392) 2.608 5.573 ( -0.181 -2.124 7.897) 8.179 5.779 ( 0.650 -7.763 -0.856) 7.837 5.918 ( -2.091 -10.407 2.567) 10.921 5.985 ( -2.840 -8.546 -1.763) 9.176 6.656 ( -11.757 0.643 -2.611) 12.060 6.725 ( -2.791 -2.850 -0.566) 4.029 7.055 ( -0.134 -6.933 -0.069) 6.935 7.173 ( 0.987 -6.108 0.575) 6.214 7.250 ( 1.838 -10.707 2.007) 11.048 7.330 ( 0.747 -9.047 -1.175) 9.153 7.637 ( 2.577 -2.435 4.958) 6.095 7.705 ( 1.923 -6.075 5.256) 8.260 7.842 ( 0.089 0.982 -5.697) 5.782 7.956 ( -4.603 -1.389 -1.377) 5.001 8.146 ( -9.246 -1.031 9.398) 13.224 8.198 ( -4.465 -3.025 10.436) 11.748 8.459 ( -1.930 2.940 1.532) 3.836 8.598 ( 0.275 -1.755 -3.137) 3.605 8.887 ( -0.011 0.988 -2.246) 2.454 9.025 ( 2.983 -1.659 -4.405) 5.573 9.512 ( 1.375 8.527 4.025) 9.529 9.678 ( 4.839 3.554 0.255) 6.009 9.865 ( -0.115 3.994 2.657) 4.799 9.952 ( 7.582 1.576 -8.890) 11.790 12.414 ( 0.992 10.879 -1.499) 11.027 12.874 ( 6.641 4.665 4.931) 9.496 13.358 ( 0.771 1.695 -6.743) 6.995 13.602 ( 0.314 4.829 -0.804) 4.906 13.752 ( -1.041 -2.580 -9.230) 9.640 14.139 ( 2.387 -8.494 4.258) 9.797 14.392 ( 8.047 10.379 -15.257) 20.131 14.883 ( -3.252 -0.494 3.868) 5.077 15.934 ( -3.677 -3.179 18.588) 19.213 16.328 ( -9.440 -6.456 10.314) 15.400 16.856 ( -3.557 10.948 -0.899) 11.546 16.917 ( -5.049 2.258 -0.447) 5.548 17.540 ( 1.977 0.030 6.099) 6.411 17.978 ( 10.360 -4.135 0.471) 11.165 18.015 ( -1.903 -1.215 -3.157) 3.882 18.274 ( -0.051 -8.608 -2.270) 8.902 18.618 ( -0.560 -4.384 -3.228) 5.473 18.893 ( -5.762 -4.513 -1.392) 7.450 18.943 ( 0.397 1.887 -5.201) 5.547 19.283 ( -9.022 6.449 -6.774) 12.995 19.853 ( 4.571 -0.333 -3.384) 5.697 20.198 ( 4.797 5.609 1.518) 7.535 20.443 ( -0.158 -7.069 7.159) 10.062 20.732 ( 6.114 -5.721 2.789) 8.826 21.139 ( -0.609 -0.698 -0.181) 0.944 21.520 ( 11.735 -4.588 3.281) 13.020 21.649 ( 2.681 -10.352 -0.088) 10.694 21.846 ( -9.677 -3.830 4.917) 11.511 21.967 ( 8.033 2.542 2.058) 8.673 22.281 ( -4.743 -3.886 -3.971) 7.305 22.485 ( -1.526 -8.460 1.644) 8.752 22.743 ( 5.746 -5.074 -2.147) 7.960 23.228 ( 3.493 21.129 -6.862) 22.489 23.378 ( -1.107 15.458 -2.236) 15.658 23.499 ( -0.980 20.255 8.802) 22.106 23.776 ( 3.749 12.840 -2.106) 13.541 24.309 ( 2.929 7.541 -6.343) 10.280 24.496 ( 1.903 1.148 6.270) 6.652 24.563 ( -1.298 5.467 8.665) 10.327 24.719 ( 2.396 2.989 7.507) 8.428 25.814 ( -0.158 0.628 -3.495) 3.554 26.014 ( -0.111 -2.128 -0.831) 2.287 26.146 ( 2.738 -7.463 -1.407) 8.073 26.240 ( -0.721 -6.275 2.999) 6.992 26.577 ( -1.695 11.655 -3.239) 12.215 26.726 ( -1.179 9.431 2.921) 9.943 26.999 ( -4.089 -2.118 -4.104) 6.169 27.319 ( -7.421 0.655 -7.642) 10.673 27.349 ( -5.728 -3.980 -6.702) 9.673 27.634 ( -7.153 -9.377 -0.983) 11.835 27.786 ( -7.709 -5.096 -4.125) 10.120 28.019 ( -1.382 -4.175 -5.855) 7.322 28.467 ( -2.034 1.945 -3.595) 4.565 28.600 ( 0.699 3.599 -1.760) 4.067 28.902 ( 6.392 10.902 -1.678) 12.748 29.023 ( 3.866 -4.423 0.944) 5.950 29.190 ( -0.488 1.099 5.713) 5.838 29.205 ( 1.721 -4.938 2.394) 5.751 29.339 ( 3.398 2.638 7.351) 8.517 29.513 ( -2.643 -6.032 6.956) 9.579 29.670 ( -3.381 1.202 4.548) 5.793 29.979 ( -4.328 2.205 4.563) 6.665 30.038 ( 1.448 -1.654 -0.085) 2.200 30.071 ( 0.290 -2.712 0.781) 2.837 30.476 ( 0.085 -0.110 -0.960) 0.970 30.589 ( 6.144 2.423 -4.354) 7.910 30.678 ( 9.784 -5.114 -2.336) 11.284 30.920 ( 0.837 -4.484 -0.979) 4.665 31.051 ( 5.257 0.992 -1.034) 5.449 31.066 ( 6.942 3.340 -2.284) 8.035 31.465 ( 3.267 -11.192 2.191) 11.863 31.569 ( 2.362 -9.209 6.449) 11.488 31.976 ( -4.624 0.775 1.360) 4.882 32.067 ( 3.436 1.351 -10.442) 11.075 32.268 ( -8.109 -8.240 10.347) 15.515 32.404 ( 5.972 -7.839 -10.047) 14.073 33.909 ( -0.907 5.254 -3.558) 6.409 34.124 ( -2.398 2.607 2.671) 4.436 34.438 ( -1.996 -10.551 -0.502) 10.750 34.561 ( 0.587 -11.419 -1.611) 11.547 38.507 ( -0.380 36.701 -2.583) 36.793 38.802 ( -1.428 32.125 7.493) 33.018 39.423 ( -1.750 13.191 -0.878) 13.335 39.514 ( 0.960 13.763 -1.636) 13.893 40.534 ( 1.715 -1.870 -1.683) 3.044 40.564 ( 0.526 -0.375 1.607) 1.732 40.883 ( -0.640 3.015 4.328) 5.313 40.923 ( -0.590 1.385 0.605) 1.622 41.838 ( -3.906 -4.660 -0.541) 6.105 42.085 ( 0.439 -6.382 0.017) 6.397 42.224 ( 0.928 -8.075 -2.803) 8.598 42.285 ( 0.213 -9.964 -1.913) 10.148 43.791 ( 5.990 -0.431 -0.209) 6.009 43.807 ( 5.948 -1.284 0.214) 6.088 44.192 ( -4.371 -10.550 0.651) 11.438 44.238 ( -2.947 -11.076 -0.615) 11.477 44.953 ( -2.268 13.918 -0.132) 14.102 45.149 ( 1.375 14.072 -0.420) 14.145 45.179 ( -1.195 13.874 2.391) 14.129 45.322 ( 0.317 13.607 4.536) 14.347 45.504 ( -1.388 19.239 0.483) 19.295 45.593 ( -0.984 19.189 1.289) 19.258 46.444 ( -8.502 -5.066 -1.777) 10.055 46.541 ( -7.533 -4.758 -2.519) 9.259 47.069 ( 2.704 -3.687 -3.308) 5.643 47.082 ( -0.553 -1.114 4.105) 4.290 47.380 ( -7.887 -3.805 1.090) 8.824 47.643 ( 2.457 -13.341 -0.023) 13.566 47.807 ( -6.301 0.719 -4.654) 7.867 48.008 ( -0.273 -4.733 5.675) 7.394 48.035 ( -7.643 -4.317 -0.755) 8.811 48.473 ( 1.258 -9.898 -0.463) 9.988 49.652 ( 2.431 1.578 1.775) 3.398 49.767 ( 6.551 -0.926 -3.686) 7.573 49.874 ( 4.851 -2.560 0.166) 5.487 50.077 ( 4.936 -8.464 -2.086) 10.018 52.355 ( 3.322 4.105 0.375) 5.294 52.397 ( 4.250 3.144 0.661) 5.328 52.640 ( 2.419 -3.037 -1.497) 4.161 52.655 ( 0.454 -3.099 1.940) 3.685 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 29.046 15.578 -7.078) 33.711 2.902 ( 16.579 17.848 0.592) 24.367 3.062 ( -6.239 21.902 -0.177) 22.774 3.272 ( -1.846 14.215 8.517) 16.674 3.389 ( 3.305 12.117 2.819) 12.872 3.570 ( -19.908 15.709 7.493) 26.443 3.672 ( -10.984 0.686 17.383) 20.574 3.749 ( -1.734 25.129 4.438) 25.577 3.957 ( 2.117 -0.820 -4.139) 4.720 4.020 ( -5.301 5.125 -9.665) 12.156 4.140 ( -2.650 7.341 0.592) 7.827 4.315 ( -6.097 5.717 6.382) 10.517 4.354 ( -5.533 5.293 -6.163) 9.829 4.474 ( 0.589 2.602 2.941) 3.971 4.658 ( 17.784 7.932 -14.018) 23.994 4.712 ( -2.627 1.721 -2.997) 4.341 4.785 ( -4.760 -0.505 -3.083) 5.694 4.812 ( -5.268 6.529 -6.566) 10.653 5.059 ( 1.004 -3.311 -3.519) 4.935 5.172 ( 12.182 5.353 -13.017) 18.614 5.344 ( -0.993 -9.456 0.371) 9.516 5.390 ( -4.406 -2.857 -1.074) 5.360 5.504 ( 4.316 -2.518 -9.522) 10.753 5.511 ( 0.447 -0.204 -3.186) 3.224 5.662 ( 0.608 0.155 -0.720) 0.955 5.748 ( -5.005 -5.490 1.905) 7.669 5.878 ( -9.144 -3.613 2.453) 10.134 5.913 ( 2.566 -14.895 -6.862) 16.600 6.609 ( 2.934 2.302 10.462) 11.107 6.856 ( 7.480 -4.756 12.200) 15.080 7.083 ( 1.811 -3.895 3.572) 5.586 7.148 ( -0.503 -6.923 -3.468) 7.759 7.272 ( 0.002 -11.689 -0.075) 11.689 7.379 ( 2.972 -8.764 4.434) 10.261 7.688 ( -1.848 -0.688 0.847) 2.146 7.761 ( -2.123 -4.042 3.480) 5.740 7.865 ( 6.719 -0.802 0.510) 6.786 7.941 ( 1.063 -2.241 3.403) 4.211 8.125 ( -7.903 -0.499 8.488) 11.608 8.207 ( -11.044 -3.157 9.539) 14.931 8.433 ( -2.021 3.336 -0.834) 3.989 8.554 ( -0.435 -1.143 -2.719) 2.981 8.848 ( 0.369 2.058 -4.706) 5.149 8.985 ( 1.861 -1.371 -7.606) 7.949 9.601 ( 1.741 6.910 5.848) 9.218 9.746 ( 1.017 2.410 2.889) 3.897 9.880 ( 0.338 4.256 -0.604) 4.312 9.948 ( 6.838 1.978 -9.629) 11.974 12.489 ( 5.538 9.876 5.570) 12.619 13.027 ( 4.472 0.015 6.418) 7.822 13.279 ( -1.623 3.081 -8.354) 9.051 13.556 ( -2.578 0.076 -12.878) 13.134 13.628 ( 3.968 8.948 -2.974) 10.230 13.987 ( -5.796 7.384 -11.687) 14.991 14.520 ( 10.050 -3.673 -0.219) 10.703 14.787 ( -7.644 -0.990 -1.728) 7.900 16.217 ( -1.698 -7.158 19.995) 21.305 16.340 ( -2.018 -4.773 19.367) 20.048 16.775 ( -4.440 4.286 -5.115) 8.015 16.931 ( 1.029 5.589 6.701) 8.786 17.638 ( 0.074 -0.407 8.786) 8.795 17.966 ( -0.268 -8.658 -4.254) 9.651 18.052 ( 3.127 -1.062 -5.409) 6.338 18.236 ( -0.824 -4.916 -5.471) 7.402 18.558 ( 0.806 -4.548 -1.101) 4.748 18.777 ( -1.602 -1.672 -2.870) 3.688 18.918 ( -2.046 -0.423 -3.504) 4.079 19.039 ( -5.871 6.619 -13.136) 15.837 19.911 ( 4.747 5.123 2.561) 7.439 20.236 ( -0.018 4.348 -1.246) 4.523 20.542 ( 2.331 -10.880 5.115) 12.247 20.821 ( -2.172 -12.062 1.618) 12.362 21.148 ( 4.297 5.814 3.597) 8.074 21.670 ( 0.994 -5.898 5.520) 8.140 21.739 ( 4.191 -7.473 1.517) 8.701 21.851 ( 0.848 -11.689 4.952) 12.723 22.078 ( 3.177 7.485 -2.845) 8.614 22.143 ( -3.705 -8.984 -2.562) 10.050 22.511 ( 0.062 -9.121 4.803) 10.308 22.787 ( 3.892 -5.879 -3.022) 7.671 23.210 ( 3.019 19.087 -4.857) 19.925 23.288 ( -4.238 17.039 -3.764) 17.957 23.613 ( 2.575 18.408 6.145) 19.577 23.773 ( 0.845 13.736 -3.341) 14.162 24.314 ( 3.850 7.280 -0.330) 8.242 24.545 ( -0.006 -4.271 1.108) 4.413 24.670 ( -0.134 6.846 8.469) 10.891 24.835 ( -4.968 6.749 11.534) 14.257 25.775 ( 0.818 1.545 -3.502) 3.914 25.938 ( -0.964 -5.782 -7.525) 9.539 26.204 ( 4.020 -1.700 0.133) 4.367 26.256 ( -2.120 -6.297 2.885) 7.244 26.542 ( 0.640 10.679 -0.348) 10.704 26.723 ( -2.492 9.311 1.146) 9.706 26.911 ( -0.561 3.539 -4.516) 5.764 27.006 ( -4.336 2.765 -14.431) 15.320 27.334 ( 1.616 0.566 -2.546) 3.068 27.519 ( -8.004 -8.010 1.156) 11.383 27.638 ( -5.280 -11.782 -1.772) 13.032 27.884 ( -2.100 -5.897 -10.007) 11.804 28.433 ( 0.817 3.134 -0.678) 3.309 28.563 ( -1.106 4.078 -3.626) 5.568 28.970 ( 7.969 10.458 -5.216) 14.145 29.051 ( 0.188 -3.431 -0.742) 3.516 29.232 ( 0.711 1.238 2.270) 2.681 29.309 ( -1.528 -1.304 12.247) 12.411 29.431 ( -6.249 5.113 8.249) 11.543 29.559 ( -3.207 -5.219 8.185) 10.223 29.721 ( 6.300 -0.987 2.110) 6.717 29.940 ( -0.510 -3.666 -5.628) 6.736 30.097 ( 1.612 0.882 10.226) 10.390 30.183 ( 0.093 -2.455 10.421) 10.707 30.463 ( 1.206 0.231 -1.811) 2.188 30.605 ( 2.820 2.570 -6.219) 7.296 30.753 ( 6.104 -10.925 -4.780) 13.397 30.927 ( -0.019 -1.013 0.395) 1.088 31.074 ( 0.577 5.018 -0.977) 5.145 31.129 ( 7.312 0.089 -6.317) 9.663 31.558 ( 4.499 -10.829 2.558) 12.002 31.681 ( -0.621 -13.629 7.960) 15.795 31.900 ( -7.520 0.414 1.200) 7.626 31.991 ( 5.768 3.704 -11.591) 13.466 32.265 ( -9.216 -9.496 10.000) 16.586 32.391 ( 9.089 -10.295 -10.138) 17.070 33.897 ( 2.581 5.237 -0.471) 5.858 34.086 ( -4.642 3.263 0.160) 5.676 34.415 ( -0.648 -9.533 0.200) 9.557 34.531 ( -0.502 -10.085 -3.175) 10.585 38.520 ( 3.172 36.915 1.344) 37.076 38.808 ( -6.182 33.290 2.621) 33.960 39.400 ( -0.102 13.041 0.039) 13.042 39.501 ( 0.662 14.201 -2.493) 14.433 40.558 ( 2.805 -2.308 -0.100) 3.634 40.598 ( 0.296 -0.302 2.328) 2.366 40.912 ( -0.844 0.960 1.173) 1.735 40.938 ( -0.805 4.686 3.911) 6.156 41.802 ( -0.906 -4.143 1.349) 4.451 42.070 ( -0.700 -6.556 -2.391) 7.013 42.199 ( 0.125 -6.552 -2.673) 7.077 42.228 ( -1.546 -8.687 -4.612) 9.956 43.891 ( 6.488 -4.028 0.265) 7.641 43.907 ( 6.234 -4.297 0.251) 7.576 44.130 ( -4.812 -9.659 0.957) 10.834 44.175 ( -4.043 -10.292 -0.782) 11.085 44.948 ( 0.047 14.371 2.099) 14.524 45.150 ( -3.295 15.955 -0.426) 16.297 45.187 ( 1.847 14.314 1.686) 14.530 45.353 ( -0.549 15.014 0.846) 15.048 45.504 ( -2.149 18.007 3.367) 18.445 45.589 ( -0.496 17.677 0.241) 17.685 46.316 ( -5.248 -5.242 -0.999) 7.485 46.400 ( -4.551 -5.115 -4.068) 7.963 47.088 ( 4.173 -2.435 -1.966) 5.216 47.143 ( 1.328 -0.669 3.371) 3.685 47.278 ( -7.682 -1.849 2.953) 8.435 47.597 ( -4.348 -6.229 -5.847) 9.586 47.743 ( 3.250 -5.665 -0.643) 6.563 47.915 ( -6.080 -5.218 -1.176) 8.098 48.090 ( 0.656 -7.590 6.809) 10.218 48.432 ( -2.559 -10.614 -3.427) 11.443 49.709 ( 1.638 1.452 2.019) 2.978 49.810 ( 4.178 -0.535 -3.393) 5.408 49.967 ( 4.770 -3.757 1.964) 6.381 50.109 ( 2.807 -7.994 -2.205) 8.755 52.409 ( 2.685 3.420 0.715) 4.406 52.455 ( 1.964 2.041 0.299) 2.848 52.667 ( 2.518 -2.949 -0.482) 3.908 52.679 ( -0.202 -3.117 1.481) 3.457 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -19.881 25.217 3.234) 32.274 2.806 ( 21.321 22.937 0.249) 31.318 3.144 ( -29.142 10.352 10.677) 32.717 3.341 ( 17.869 8.507 -3.776) 20.148 3.419 ( 2.552 11.307 9.445) 14.952 3.544 ( 1.284 3.230 6.684) 7.534 3.749 ( -2.910 10.326 8.812) 13.884 3.809 ( -1.022 10.380 -2.490) 10.723 3.874 ( -2.140 10.854 3.693) 11.664 3.944 ( 2.456 2.544 -4.923) 6.061 4.070 ( 4.575 7.685 -5.964) 10.749 4.164 ( -7.771 10.396 -7.556) 15.018 4.358 ( 3.530 8.783 3.128) 9.969 4.432 ( -12.571 8.125 -1.315) 15.026 4.532 ( -10.814 1.914 5.405) 12.240 4.665 ( 1.215 0.270 -2.629) 2.908 4.722 ( -12.265 7.048 10.598) 17.676 4.954 ( 21.323 6.785 -11.626) 25.216 5.007 ( 2.717 2.478 -6.250) 7.252 5.111 ( -0.714 -3.206 -3.806) 5.027 5.195 ( 5.605 3.215 -10.959) 12.722 5.343 ( 2.849 -2.702 -8.624) 9.476 5.481 ( 2.905 2.079 -2.980) 4.652 5.503 ( 2.618 -7.304 -3.847) 8.660 5.660 ( -3.958 -9.011 4.908) 10.998 5.730 ( 4.343 -6.758 -0.629) 8.057 5.783 ( -0.594 -5.642 -3.096) 6.463 5.862 ( 3.488 -13.378 -7.757) 15.853 6.841 ( 4.923 -3.166 10.381) 11.918 7.000 ( 0.602 -6.255 -3.692) 7.288 7.122 ( 0.203 -8.437 3.390) 9.095 7.217 ( 1.516 -9.427 -2.944) 9.992 7.324 ( 7.137 -1.062 12.302) 14.262 7.526 ( 3.752 -7.245 9.788) 12.742 7.569 ( -7.281 0.906 -8.067) 10.905 7.712 ( -4.195 -4.907 -4.202) 7.703 8.004 ( 2.867 -1.720 4.104) 5.294 8.041 ( 3.668 -1.453 2.266) 4.550 8.091 ( -3.632 -1.241 5.078) 6.365 8.144 ( -6.853 -2.592 4.528) 8.613 8.395 ( -5.101 4.284 5.437) 8.598 8.531 ( -0.795 -0.722 0.285) 1.111 8.790 ( -0.749 2.679 -3.073) 4.145 8.908 ( 1.262 -1.432 -8.198) 8.417 9.688 ( -1.358 5.028 7.135) 8.833 9.766 ( -5.006 3.084 5.056) 7.754 9.853 ( -0.264 4.074 -4.429) 6.023 9.933 ( 6.254 2.091 -8.187) 10.513 12.705 ( 6.610 7.666 13.011) 16.485 13.030 ( -10.557 6.428 -14.430) 19.000 13.170 ( 3.014 -2.551 7.013) 8.048 13.397 ( 2.142 -1.120 -12.498) 12.730 13.684 ( 1.949 11.812 1.297) 12.042 13.771 ( -4.973 12.293 -6.612) 14.818 14.622 ( 0.701 -4.281 0.907) 4.432 14.668 ( -0.477 -4.739 -2.754) 5.502 16.341 ( -3.985 -1.956 16.528) 17.114 16.635 ( 2.019 1.496 -11.153) 11.433 16.730 ( 7.929 -7.286 20.718) 23.350 16.985 ( -0.388 -0.365 -2.095) 2.162 17.782 ( 0.124 2.309 12.582) 12.793 17.914 ( -0.762 -9.841 0.652) 9.892 17.981 ( 0.521 -1.487 -8.658) 8.800 18.087 ( -4.758 -1.427 -9.261) 10.509 18.638 ( 4.379 -2.924 1.755) 5.550 18.747 ( -1.173 0.005 3.287) 3.490 18.760 ( -6.904 -1.486 -8.521) 11.067 18.884 ( 4.492 2.666 -9.378) 10.735 20.048 ( 4.825 7.756 6.263) 11.075 20.169 ( -3.759 6.144 -4.759) 8.632 20.649 ( 4.678 -12.467 4.302) 13.994 20.727 ( -5.673 -12.511 -2.901) 14.040 21.354 ( 6.721 0.105 11.511) 13.331 21.603 ( -7.126 -4.726 -10.090) 13.225 21.805 ( -1.605 0.267 9.019) 9.165 21.938 ( 1.515 -10.008 1.447) 10.225 22.037 ( 2.333 -1.473 -1.186) 3.003 22.112 ( -1.592 -7.804 -3.068) 8.536 22.600 ( 0.670 -9.543 7.545) 12.184 22.762 ( 0.403 -8.857 -6.886) 11.226 23.169 ( -4.155 18.362 0.472) 18.832 23.222 ( 2.223 19.222 -3.887) 19.737 23.678 ( -3.949 14.211 3.872) 15.249 23.768 ( 7.172 15.534 -5.054) 17.840 24.415 ( 1.888 1.481 6.447) 6.879 24.523 ( -1.501 1.014 -2.305) 2.932 24.777 ( 1.108 6.532 7.994) 10.382 24.822 ( -7.152 6.938 4.452) 10.914 25.772 ( 2.408 1.265 -1.149) 2.953 25.831 ( -1.583 -2.395 -6.306) 6.928 26.236 ( -2.292 -1.897 1.114) 3.177 26.268 ( 3.360 -3.176 -0.574) 4.659 26.585 ( 2.819 7.289 1.953) 8.056 26.684 ( -0.627 10.161 -4.153) 10.995 26.816 ( -4.919 7.068 -4.030) 9.508 26.879 ( 4.679 8.463 -5.769) 11.260 27.353 ( -3.220 -2.741 3.220) 5.315 27.423 ( 0.879 -4.961 -2.260) 5.522 27.606 ( -0.361 -13.951 2.925) 14.259 27.749 ( 1.206 -9.302 -9.887) 13.628 28.460 ( 2.331 3.888 0.470) 4.557 28.493 ( -2.048 4.200 -3.076) 5.594 28.996 ( -6.668 1.923 -0.293) 6.946 29.023 ( 5.138 3.163 -2.839) 6.668 29.294 ( -2.742 3.790 2.786) 5.445 29.320 ( 3.684 4.976 0.352) 6.201 29.516 ( -2.664 -2.888 13.452) 14.014 29.616 ( -2.444 -2.504 6.915) 7.750 29.842 ( 5.981 -0.986 -1.107) 6.161 29.856 ( -2.317 -5.422 -4.450) 7.387 30.256 ( 1.287 -1.148 9.794) 9.945 30.301 ( -1.225 -1.757 9.233) 9.479 30.454 ( 2.599 0.853 -5.547) 6.184 30.527 ( 1.231 2.454 -9.174) 9.576 30.780 ( -1.005 -10.334 3.374) 10.917 30.891 ( -2.138 -4.036 -3.662) 5.854 31.069 ( -0.972 6.153 0.745) 6.274 31.135 ( 4.315 1.578 -6.714) 8.135 31.646 ( 0.029 -8.781 3.971) 9.637 31.700 ( -4.370 -17.289 2.190) 17.967 31.819 ( -5.524 1.583 3.658) 6.812 31.969 ( 7.609 3.881 -8.886) 12.325 32.226 ( -11.155 -10.510 9.258) 17.906 32.430 ( 10.869 -12.588 -9.218) 19.015 33.963 ( 3.236 4.312 1.850) 5.700 34.002 ( -3.418 4.238 -1.746) 5.717 34.423 ( -0.221 -8.483 1.729) 8.660 34.479 ( -0.277 -8.695 -3.453) 9.359 38.633 ( 6.829 36.191 3.822) 37.027 38.699 ( -7.014 34.550 -2.079) 35.316 39.419 ( 0.515 14.060 1.695) 14.171 39.472 ( -0.043 14.199 -2.993) 14.511 40.608 ( 2.798 -2.405 0.606) 3.739 40.609 ( -1.902 -1.632 0.896) 2.662 40.918 ( -2.439 3.080 3.347) 5.161 40.960 ( 1.064 3.789 0.097) 3.937 41.852 ( 1.901 -4.680 4.926) 7.055 41.992 ( -1.238 -7.151 -7.053) 10.120 42.162 ( -1.015 -6.643 -1.286) 6.842 42.175 ( 0.401 -6.189 -2.040) 6.529 43.964 ( 0.947 -5.385 0.248) 5.473 43.970 ( -0.152 -6.365 -0.245) 6.371 44.093 ( -0.031 -9.501 1.308) 9.591 44.117 ( -0.539 -9.494 -0.924) 9.554 45.005 ( 2.564 15.120 3.499) 15.730 45.076 ( -2.900 15.425 -2.697) 15.925 45.250 ( 0.500 15.415 3.707) 15.862 45.322 ( -1.588 16.199 -2.064) 16.407 45.521 ( -1.516 17.333 3.811) 17.811 45.602 ( 5.389 16.658 -3.220) 17.801 46.241 ( -7.643 -4.044 3.543) 9.344 46.340 ( 4.892 -5.962 -5.143) 9.270 47.123 ( -4.695 -1.977 1.138) 5.220 47.146 ( 3.307 -2.247 -0.936) 4.106 47.301 ( 2.204 0.084 6.653) 7.009 47.461 ( -1.056 -2.700 -7.942) 8.455 47.790 ( -1.931 -8.304 1.971) 8.751 47.841 ( 2.519 -5.611 -2.781) 6.750 48.194 ( 1.290 -9.614 7.484) 12.252 48.337 ( -1.844 -9.838 -5.711) 11.523 49.744 ( -0.922 1.072 2.534) 2.902 49.807 ( 0.867 0.243 -3.280) 3.401 50.043 ( 0.927 -5.328 2.618) 6.009 50.103 ( 0.192 -7.636 -2.872) 8.161 52.447 ( 0.451 2.480 0.919) 2.683 52.462 ( -0.358 2.490 -0.483) 2.562 52.680 ( -1.777 -3.144 1.257) 3.824 52.698 ( 1.718 -3.212 -0.460) 3.672 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -29.138 21.916 -4.818) 36.777 2.744 ( -36.804 14.371 17.627) 43.264 3.058 ( 6.468 16.479 -2.810) 17.925 3.415 ( -4.364 6.717 -2.096) 8.280 3.453 ( -5.637 5.192 -3.182) 8.298 3.585 ( -1.770 15.340 12.928) 20.139 3.708 ( -10.911 10.078 3.775) 15.325 3.811 ( 3.182 13.405 -0.116) 13.778 3.852 ( -7.517 19.970 -5.202) 21.963 4.008 ( 16.303 5.702 -12.229) 21.163 4.052 ( 6.025 8.250 10.774) 14.847 4.272 ( 11.058 4.447 0.926) 11.955 4.297 ( -0.355 8.130 5.374) 9.752 4.458 ( -1.979 7.415 7.551) 10.767 4.513 ( -12.089 -2.427 12.048) 17.240 4.622 ( 1.843 5.721 4.604) 7.571 4.709 ( 6.348 0.640 -1.396) 6.531 4.939 ( -0.403 3.304 4.080) 5.265 5.015 ( 8.156 4.951 -20.264) 22.398 5.154 ( -0.913 2.986 -2.502) 4.001 5.298 ( 4.075 -3.047 -4.049) 6.503 5.350 ( 14.317 -5.827 0.500) 15.466 5.439 ( 1.272 0.574 -6.722) 6.865 5.532 ( 9.144 -6.077 -2.649) 11.294 5.722 ( 3.176 -6.978 1.916) 7.902 5.764 ( -0.155 -7.142 -0.490) 7.160 5.790 ( 6.893 -11.503 -1.933) 13.549 5.936 ( 16.786 -4.225 -3.416) 17.643 6.876 ( -2.210 -2.295 -11.123) 11.570 6.989 ( 2.400 -6.837 2.119) 7.549 7.127 ( -2.637 -8.490 -1.390) 8.999 7.192 ( -0.696 -8.913 -2.284) 9.228 7.289 ( -8.032 -0.666 -7.813) 11.225 7.542 ( -4.873 -7.554 -7.679) 11.823 7.591 ( 3.614 -0.453 8.279) 9.045 7.694 ( 1.710 -4.763 7.431) 8.991 7.897 ( -9.201 -0.862 -1.191) 9.318 8.031 ( -4.645 -3.179 -3.727) 6.750 8.173 ( 5.585 -0.788 3.383) 6.577 8.253 ( 7.522 -1.584 4.217) 8.768 8.421 ( -5.832 3.092 10.546) 12.441 8.515 ( 0.600 0.569 -3.036) 3.146 8.784 ( -2.254 1.965 6.309) 6.982 8.840 ( 0.642 -1.518 -4.397) 4.696 9.712 ( -6.439 4.450 3.211) 8.461 9.734 ( -5.529 3.921 5.662) 8.832 9.766 ( -3.984 5.382 -2.899) 7.297 9.938 ( 4.910 0.970 -5.316) 7.301 12.680 ( -10.748 9.611 -11.462) 18.420 12.971 ( 1.664 5.175 14.519) 15.504 13.250 ( -2.190 -3.936 -9.488) 10.503 13.304 ( 3.498 -0.511 6.342) 7.260 13.612 ( -4.844 14.620 0.950) 15.431 13.812 ( 4.600 10.318 3.906) 11.953 14.532 ( -7.032 -6.489 -0.575) 9.586 14.764 ( 8.943 -4.516 0.358) 10.025 16.473 ( -2.849 -0.688 6.744) 7.353 16.562 ( 6.220 2.209 -7.832) 10.243 16.852 ( 2.549 -7.381 -12.674) 14.886 17.016 ( 5.117 -1.217 1.091) 5.372 17.831 ( -7.432 -2.197 -4.685) 9.056 17.878 ( -1.067 -0.955 4.405) 4.632 17.929 ( 1.251 -6.137 1.095) 6.358 18.091 ( 5.275 -2.852 6.765) 9.040 18.585 ( -4.519 -2.576 -3.955) 6.535 18.661 ( -4.396 2.212 6.392) 8.068 18.848 ( 5.017 -3.676 2.682) 6.774 18.906 ( 9.301 2.117 -3.223) 10.069 20.023 ( -5.075 8.118 -6.572) 11.612 20.178 ( 2.475 8.212 4.575) 9.721 20.624 ( -2.371 -12.595 -3.145) 13.197 20.790 ( 5.985 -12.860 4.103) 14.767 21.315 ( -10.732 3.176 -10.622) 15.430 21.548 ( -2.166 -6.504 10.750) 12.749 21.860 ( -3.583 -4.283 -0.172) 5.586 21.954 ( 4.302 -6.627 -3.722) 8.734 21.982 ( -3.845 -1.383 1.721) 4.433 22.118 ( 1.902 -6.379 0.591) 6.683 22.628 ( -3.693 -7.892 -3.614) 9.433 22.708 ( 0.185 -9.633 2.120) 9.865 23.130 ( -3.785 18.304 2.692) 18.884 23.233 ( 1.851 17.850 0.801) 17.963 23.637 ( -3.679 14.888 0.780) 15.356 23.824 ( 7.441 13.279 -5.423) 16.159 24.354 ( -9.024 5.653 -1.728) 10.787 24.545 ( 1.045 -3.144 0.910) 3.436 24.755 ( -2.695 5.053 0.301) 5.735 24.969 ( 8.645 4.999 5.756) 11.526 25.713 ( -4.210 1.310 -1.319) 4.602 25.817 ( 0.403 -2.433 1.378) 2.826 26.193 ( -3.436 1.022 0.091) 3.586 26.310 ( 2.989 -5.038 -1.728) 6.108 26.592 ( -0.135 10.121 -6.365) 11.957 26.669 ( 3.048 7.988 5.093) 9.952 26.788 ( -0.138 10.437 3.095) 10.887 26.907 ( 4.615 5.211 -2.032) 7.251 27.286 ( -3.801 -0.999 2.191) 4.500 27.546 ( 10.369 -5.007 0.795) 11.542 27.659 ( 1.443 -10.954 0.090) 11.049 27.704 ( 4.634 -11.918 -0.134) 12.788 28.428 ( -2.685 3.511 -0.754) 4.483 28.514 ( 2.829 3.365 1.076) 4.526 28.874 ( -9.522 8.292 2.807) 12.935 29.045 ( 0.287 -1.538 -0.436) 1.624 29.250 ( -1.641 -2.462 0.075) 2.959 29.469 ( 10.240 8.330 -1.867) 13.332 29.589 ( -1.574 -4.624 3.117) 5.794 29.635 ( -1.615 -1.320 1.029) 2.326 29.745 ( -5.663 -3.698 -3.436) 7.586 29.856 ( -0.754 -3.082 -1.474) 3.499 30.301 ( -2.003 -4.041 -6.552) 7.954 30.351 ( -2.369 -0.760 7.811) 8.197 30.400 ( -0.160 3.184 -5.643) 6.482 30.510 ( 4.177 0.469 -0.232) 4.209 30.728 ( -8.299 -7.736 -1.068) 11.395 30.863 ( -1.195 -8.288 4.242) 9.387 31.049 ( -2.885 6.923 0.659) 7.529 31.104 ( 0.533 2.863 -4.147) 5.067 31.576 ( -8.300 -11.424 1.459) 14.196 31.739 ( -1.047 -7.572 6.628) 10.117 31.784 ( -4.769 -4.307 1.720) 6.652 31.995 ( 8.103 4.162 -6.589) 11.242 32.171 ( -10.129 -9.722 9.357) 16.872 32.473 ( 9.268 -11.219 -9.062) 17.143 33.902 ( -4.455 4.871 -0.944) 6.668 34.073 ( 5.702 3.543 1.205) 6.821 34.420 ( -1.415 -9.101 0.218) 9.213 34.476 ( 1.768 -7.443 0.828) 7.695 38.566 ( -5.243 35.098 -2.595) 35.582 38.816 ( 10.470 34.121 2.366) 35.770 39.420 ( -1.400 12.778 -1.322) 12.922 39.454 ( 0.377 15.482 0.926) 15.514 40.567 ( -3.147 -2.195 -0.565) 3.878 40.636 ( 0.358 -1.296 -0.913) 1.626 40.906 ( -2.396 2.738 1.957) 4.131 40.990 ( 2.351 4.139 -0.743) 4.818 41.868 ( -1.368 -7.802 -3.522) 8.669 41.988 ( 4.224 -5.587 3.181) 7.693 42.151 ( -0.089 -6.990 1.371) 7.124 42.177 ( 1.197 -5.689 -0.069) 5.814 43.899 ( -6.717 -5.928 -0.420) 8.969 43.915 ( -5.424 -3.026 -0.403) 6.224 44.148 ( 4.359 -9.372 -0.283) 10.341 44.153 ( 3.995 -11.011 0.737) 11.737 45.005 ( -1.085 14.166 -2.678) 14.458 45.111 ( 4.790 15.892 2.939) 16.856 45.221 ( -4.350 14.751 -0.388) 15.384 45.325 ( 0.142 14.901 1.324) 14.960 45.550 ( 1.596 17.985 0.862) 18.077 45.682 ( 12.693 17.397 -7.385) 22.767 46.191 ( -6.030 -3.510 7.361) 10.142 46.399 ( 7.776 -4.948 -2.099) 9.453 47.047 ( -5.865 -1.194 1.712) 6.225 47.186 ( 1.366 -2.451 -0.878) 2.940 47.385 ( 4.474 -3.516 -5.392) 7.839 47.458 ( 6.454 -0.241 5.179) 8.279 47.736 ( -4.472 -7.266 0.464) 8.545 47.913 ( 7.349 -5.502 -1.078) 9.243 48.232 ( -1.175 -9.029 -5.373) 10.572 48.324 ( 2.932 -11.120 5.864) 12.909 49.739 ( -4.114 0.491 2.936) 5.078 49.762 ( -1.581 0.887 -2.782) 3.321 50.028 ( -4.408 -6.829 -2.976) 8.656 50.064 ( -2.261 -6.200 1.374) 6.741 52.420 ( -3.150 2.609 -0.234) 4.097 52.458 ( -1.078 2.207 0.012) 2.457 52.654 ( -3.173 -3.252 0.838) 4.620 52.706 ( 0.446 -3.236 -0.882) 3.384 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -32.249 17.260 6.354) 37.125 2.517 ( -23.370 25.823 18.312) 39.349 2.891 ( -16.889 -7.834 5.852) 19.516 3.383 ( 0.880 24.771 0.053) 24.787 3.500 ( 9.962 23.509 -8.081) 26.781 3.512 ( -24.471 27.506 18.066) 41.010 3.668 ( -9.544 0.642 17.118) 19.609 3.790 ( 0.005 19.230 6.801) 20.397 3.929 ( 5.204 7.410 -0.086) 9.055 4.109 ( 0.403 7.310 -3.583) 8.151 4.137 ( 17.405 2.188 -12.298) 21.424 4.364 ( 1.403 9.882 3.273) 10.504 4.429 ( -2.710 -1.976 0.226) 3.361 4.494 ( 5.564 1.960 2.558) 6.430 4.589 ( 6.997 1.037 3.432) 7.862 4.693 ( 0.628 5.018 1.330) 5.229 4.893 ( 6.923 2.109 3.386) 7.990 4.923 ( 7.482 3.676 -7.897) 11.482 4.983 ( -0.752 1.453 5.028) 5.287 5.125 ( 5.820 0.684 -6.876) 9.034 5.309 ( 0.826 1.334 -2.311) 2.793 5.355 ( -0.770 -1.822 -0.501) 2.040 5.446 ( -0.333 -6.908 3.414) 7.713 5.583 ( 2.352 -10.105 -10.217) 14.562 5.801 ( 4.860 -14.641 -1.763) 15.527 5.816 ( 1.822 -9.030 4.983) 10.474 5.904 ( 12.315 3.248 -10.127) 16.272 6.139 ( 15.715 -0.004 -10.658) 18.989 6.708 ( 3.854 1.208 -10.148) 10.922 6.886 ( -2.418 -3.030 -12.722) 13.299 7.074 ( -2.330 -5.051 -1.877) 5.871 7.131 ( 0.649 -7.280 3.106) 7.942 7.266 ( 0.690 -11.207 1.614) 11.344 7.381 ( -3.892 -9.707 -6.210) 12.163 7.659 ( -4.207 -1.159 2.978) 5.283 7.724 ( -5.687 -3.390 2.609) 7.116 7.792 ( -2.458 -0.711 0.177) 2.565 7.950 ( -0.587 -2.409 -1.025) 2.683 8.269 ( 3.684 -0.791 0.067) 3.768 8.348 ( 1.582 -1.514 -2.218) 3.116 8.464 ( -3.013 1.715 6.939) 7.757 8.502 ( 1.898 0.071 0.115) 1.903 8.827 ( -0.307 -1.234 1.734) 2.150 8.854 ( -2.613 0.405 9.572) 9.931 9.620 ( -3.944 5.740 -3.177) 7.655 9.650 ( -6.585 6.068 -0.120) 8.956 9.742 ( -7.961 4.393 9.741) 13.326 9.944 ( 3.439 0.310 -4.182) 5.424 12.448 ( -5.535 11.821 -4.851) 13.925 12.996 ( -5.919 4.312 -4.747) 8.728 13.173 ( -4.191 -0.158 7.953) 8.991 13.491 ( 3.162 -0.841 12.256) 12.685 13.604 ( 1.916 7.398 1.087) 7.719 13.944 ( 1.739 10.262 9.851) 14.331 14.394 ( -8.279 -7.994 -3.874) 12.143 14.910 ( 9.034 -4.002 -0.431) 9.890 16.359 ( -1.520 -2.593 -15.368) 15.659 16.568 ( 7.847 0.539 -9.713) 12.498 16.859 ( 6.364 2.270 -2.685) 7.271 16.980 ( 0.788 0.986 -6.146) 6.274 17.684 ( -3.978 -1.633 -5.574) 7.040 17.917 ( -1.939 -4.927 4.314) 6.830 17.975 ( -0.830 -3.244 2.059) 3.930 18.199 ( 1.000 -7.055 3.861) 8.105 18.553 ( 0.172 -1.554 2.088) 2.609 18.724 ( 1.301 -4.470 9.796) 10.846 18.924 ( 1.386 -1.636 0.991) 2.362 19.086 ( 10.077 3.769 7.177) 12.933 19.886 ( -2.144 8.772 -5.629) 10.641 20.216 ( -1.879 8.214 0.301) 8.431 20.574 ( 1.251 -11.123 -4.285) 11.985 20.832 ( -4.055 -6.939 -4.735) 9.328 21.126 ( -1.406 1.733 -0.283) 2.249 21.532 ( -10.791 -5.663 3.947) 12.810 21.688 ( -10.259 -11.948 -3.844) 16.210 21.958 ( 6.700 -6.770 -4.566) 10.563 22.000 ( -4.859 5.527 -0.081) 7.359 22.186 ( 5.540 -4.750 3.431) 8.064 22.533 ( -2.061 -5.502 -2.750) 6.487 22.706 ( -3.476 -8.760 1.237) 9.506 23.115 ( -3.426 18.529 3.712) 19.205 23.286 ( -0.775 15.772 5.289) 16.653 23.602 ( 0.519 16.271 -2.107) 16.415 23.848 ( 5.110 12.272 -6.943) 14.997 24.221 ( -7.002 9.907 1.735) 12.255 24.531 ( -2.662 -4.662 0.131) 5.370 24.720 ( 0.330 2.967 -4.041) 5.024 25.000 ( -0.075 4.309 -14.735) 15.352 25.741 ( 1.448 0.255 5.596) 5.786 25.856 ( -1.273 -7.315 10.608) 12.948 26.141 ( -3.673 2.450 -0.186) 4.419 26.304 ( 0.391 -6.921 -2.829) 7.487 26.550 ( 0.852 9.218 -1.687) 9.410 26.770 ( 2.489 10.765 -0.424) 11.057 26.929 ( 6.717 4.327 3.281) 8.637 26.964 ( 6.263 1.853 13.539) 15.032 27.330 ( 4.204 3.232 2.010) 5.671 27.666 ( 7.228 -8.089 -4.282) 11.662 27.702 ( 5.118 -10.027 2.916) 11.629 27.861 ( 5.495 -6.766 7.991) 11.825 28.398 ( -2.412 2.228 2.792) 4.310 28.564 ( 1.326 1.748 1.341) 2.572 28.803 ( -6.455 10.953 5.294) 13.771 29.029 ( -1.733 -2.722 -0.017) 3.227 29.231 ( -1.245 -4.931 -1.161) 5.217 29.412 ( -3.987 -0.844 -10.263) 11.042 29.541 ( -6.279 0.307 -7.149) 9.520 29.586 ( -1.943 -3.056 -4.186) 5.535 29.702 ( 5.507 -0.964 0.574) 5.620 29.871 ( -1.535 -3.037 7.179) 7.945 30.162 ( -2.091 -1.044 -7.127) 7.501 30.298 ( -0.772 1.767 -11.206) 11.371 30.416 ( -0.364 -2.036 7.332) 7.619 30.512 ( -6.077 -2.221 0.661) 6.504 30.611 ( -4.518 -4.570 0.031) 6.426 30.882 ( -4.294 -6.330 4.735) 8.996 31.013 ( -2.970 6.293 1.262) 7.072 31.053 ( -1.970 3.723 -2.037) 4.679 31.479 ( -6.152 -9.145 0.913) 11.059 31.692 ( -5.406 -9.484 -3.703) 11.527 31.810 ( -3.651 -0.271 10.848) 11.449 32.051 ( 7.342 3.817 -3.942) 9.166 32.170 ( -5.726 -7.938 9.942) 13.952 32.489 ( 7.601 -8.576 -9.189) 14.689 33.853 ( -1.802 5.482 1.390) 5.936 34.157 ( 3.967 2.696 -0.342) 4.809 34.418 ( 0.134 -9.782 1.253) 9.862 34.516 ( 0.667 -8.378 2.027) 8.646 38.488 ( -2.070 35.236 -0.583) 35.302 38.956 ( 8.192 30.662 -5.658) 32.238 39.402 ( 0.450 11.967 0.945) 12.013 39.470 ( -0.613 15.445 1.881) 15.571 40.518 ( -2.274 -2.040 -0.092) 3.056 40.603 ( -1.417 0.389 -1.875) 2.382 40.904 ( -0.971 1.381 1.427) 2.211 40.989 ( 1.217 4.356 -3.695) 5.840 41.844 ( 2.153 -8.482 -1.107) 8.821 42.064 ( 1.017 -7.021 2.435) 7.501 42.171 ( -0.619 -7.651 0.988) 7.739 42.223 ( 2.215 -6.300 3.135) 7.377 43.786 ( -6.878 -2.489 -0.093) 7.315 43.824 ( -5.008 -0.127 -0.888) 5.088 44.206 ( 3.982 -10.334 -0.680) 11.095 44.219 ( 2.728 -11.636 1.138) 12.006 44.976 ( 1.130 13.161 -1.881) 13.343 45.150 ( -2.339 13.839 -0.415) 14.041 45.213 ( 3.253 15.391 -0.021) 15.731 45.325 ( -1.876 12.967 2.257) 13.295 45.581 ( 3.192 18.621 -2.341) 19.037 45.724 ( 8.191 16.548 -14.098) 23.231 46.312 ( 7.014 -2.123 11.651) 13.764 46.507 ( 7.320 -3.784 0.213) 8.243 46.996 ( -4.365 -1.217 2.865) 5.361 47.168 ( 0.522 -3.045 -3.126) 4.395 47.428 ( 7.457 -4.890 -3.492) 9.577 47.620 ( 2.553 -10.538 3.448) 11.378 47.701 ( 1.655 2.819 3.215) 4.585 48.023 ( 7.620 -3.501 -0.205) 8.388 48.152 ( 1.151 -8.108 -6.708) 10.586 48.424 ( -0.004 -12.134 4.516) 12.947 49.690 ( -5.144 0.229 1.183) 5.283 49.700 ( -3.861 0.772 -0.442) 3.963 49.894 ( -7.011 -4.537 -2.412) 8.692 50.031 ( -4.848 -6.437 2.079) 8.322 52.359 ( -4.605 2.691 -0.059) 5.334 52.418 ( -3.168 3.156 -0.939) 4.569 52.613 ( -3.183 -3.157 1.035) 4.602 52.693 ( -0.284 -3.265 -1.430) 3.575 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -2.474 15.687 33.806) 37.350 2.496 ( -10.111 28.512 20.571) 36.583 2.877 ( -4.448 -6.213 18.506) 20.021 3.292 ( -0.303 32.478 -14.107) 35.411 3.450 ( -19.671 27.508 28.161) 44.008 3.610 ( 7.476 20.568 2.436) 22.020 3.749 ( -8.344 1.818 10.612) 13.621 3.798 ( -4.557 7.526 -5.947) 10.619 3.955 ( 0.875 13.351 0.073) 13.380 4.084 ( -2.303 5.250 6.925) 8.990 4.175 ( 1.799 3.966 -10.043) 10.947 4.313 ( -5.598 -2.924 -5.666) 8.484 4.400 ( -0.310 6.465 0.709) 6.511 4.574 ( -2.525 3.134 7.131) 8.189 4.681 ( 4.131 3.457 -4.209) 6.836 4.744 ( 7.640 -0.770 2.932) 8.220 4.923 ( 2.960 1.078 -2.450) 3.991 4.998 ( 3.421 0.650 -0.724) 3.557 5.082 ( 3.444 0.732 2.317) 4.215 5.154 ( 5.438 0.447 -3.764) 6.629 5.290 ( 4.617 4.965 -6.154) 9.156 5.343 ( -1.855 1.829 -3.660) 4.493 5.472 ( 7.982 -3.877 -16.835) 19.030 5.483 ( -1.636 -2.061 2.087) 3.358 5.725 ( 1.126 1.264 -23.311) 23.373 5.809 ( 0.659 -14.139 -4.127) 14.743 5.897 ( 1.401 -11.270 3.664) 11.933 6.156 ( 7.868 -1.651 -14.962) 16.985 6.795 ( 6.753 -0.921 -0.836) 6.867 6.833 ( 12.354 -1.024 -0.518) 12.407 7.049 ( -0.258 -6.528 0.551) 6.556 7.147 ( -2.428 -5.429 0.171) 5.950 7.240 ( -3.559 -11.403 -4.929) 12.922 7.318 ( 0.963 -10.006 1.794) 10.211 7.573 ( -7.924 -1.973 -0.575) 8.186 7.661 ( -4.900 -5.628 -0.569) 7.484 7.797 ( 0.263 0.572 4.942) 4.982 8.005 ( 4.251 -1.749 4.621) 6.518 8.242 ( -3.459 -0.027 -4.181) 5.426 8.340 ( 3.515 -2.331 -3.794) 5.673 8.473 ( -2.731 2.199 3.364) 4.859 8.554 ( -0.132 -1.333 2.620) 2.943 8.866 ( 0.389 -2.101 4.356) 4.852 8.914 ( -3.366 -0.746 7.112) 7.903 9.545 ( -4.007 6.816 0.231) 7.910 9.559 ( -2.443 6.767 -1.894) 7.440 9.748 ( -6.907 4.366 9.789) 12.752 9.940 ( 3.324 0.347 -4.757) 5.813 12.399 ( 1.317 12.512 1.834) 12.714 12.823 ( -6.532 6.548 -6.494) 11.301 13.249 ( -0.950 2.385 11.197) 11.488 13.591 ( -1.183 -0.017 3.599) 3.788 13.706 ( 2.427 -4.226 5.400) 7.274 14.130 ( 0.502 10.208 18.538) 21.169 14.176 ( -7.877 -6.868 -10.526) 14.833 14.980 ( 3.513 -4.380 -5.643) 7.960 16.176 ( 6.150 1.048 -17.217) 18.313 16.487 ( -1.748 -1.031 -13.106) 13.262 16.909 ( 5.395 11.550 3.338) 13.178 17.035 ( 9.107 -4.564 -2.661) 10.529 17.548 ( -4.005 1.560 -6.048) 7.419 17.808 ( -12.570 -3.996 -1.498) 13.275 18.057 ( 6.966 -1.564 3.134) 7.798 18.259 ( 0.785 -9.945 3.165) 10.466 18.570 ( -2.456 -1.596 3.707) 4.725 18.866 ( -4.965 3.617 1.024) 6.227 18.990 ( 11.166 -11.756 8.956) 18.523 19.329 ( 5.455 -0.675 9.793) 11.230 19.824 ( 1.800 8.681 -4.503) 9.944 20.119 ( -7.824 10.574 -3.553) 13.626 20.547 ( 4.334 -9.794 -6.690) 12.628 20.678 ( -3.935 -1.779 -5.420) 6.930 21.116 ( -4.126 -4.772 1.146) 6.411 21.342 ( -12.921 3.343 -2.099) 13.510 21.587 ( -2.012 -10.724 4.059) 11.642 21.874 ( -5.903 1.130 -3.408) 6.910 22.071 ( 12.155 -1.775 -1.575) 12.384 22.288 ( 0.253 -3.858 3.368) 5.127 22.506 ( 0.435 -4.736 0.309) 4.766 22.650 ( -4.294 -9.979 -0.249) 10.866 23.127 ( -2.082 20.620 5.734) 21.503 23.320 ( -3.536 15.982 5.543) 17.281 23.604 ( 4.841 16.165 -4.561) 17.480 23.784 ( -0.698 14.525 -9.527) 17.384 24.189 ( -4.563 9.772 6.826) 12.763 24.490 ( -2.390 -2.273 -0.293) 3.311 24.647 ( -0.399 4.361 -8.820) 9.847 24.749 ( -4.897 3.912 -11.893) 13.444 25.790 ( 0.383 -1.028 2.983) 3.178 26.016 ( 2.875 -4.720 4.828) 7.338 26.075 ( -3.987 -2.927 1.980) 5.327 26.270 ( -0.224 -6.334 -2.785) 6.923 26.568 ( 0.791 8.479 2.420) 8.853 26.771 ( 0.920 10.738 -3.028) 11.195 26.997 ( 1.257 -1.929 6.243) 6.654 27.375 ( 2.294 2.156 -2.094) 3.781 27.475 ( 23.655 -6.482 15.851) 29.203 27.745 ( 6.707 -7.997 -0.234) 10.439 27.823 ( 3.188 -4.040 4.968) 7.153 27.988 ( 0.104 -5.976 4.176) 7.291 28.436 ( -0.438 0.835 6.629) 6.696 28.576 ( -1.864 -0.133 2.235) 2.914 28.784 ( -4.540 9.600 3.761) 11.266 28.982 ( -3.101 -1.754 -2.860) 4.568 29.159 ( -4.842 -5.388 -2.298) 7.600 29.253 ( -2.272 -0.453 -5.197) 5.690 29.336 ( -4.719 0.267 -9.109) 10.263 29.524 ( -3.630 -7.402 1.497) 8.379 29.773 ( 5.174 -0.616 -1.397) 5.395 29.958 ( 0.252 -1.719 6.933) 7.148 30.066 ( -7.695 -0.376 -4.830) 9.093 30.163 ( 6.830 2.097 -7.406) 10.291 30.417 ( -3.632 -0.602 -2.199) 4.288 30.510 ( -5.561 2.744 -0.405) 6.214 30.551 ( 2.650 -3.776 6.705) 8.138 30.845 ( -6.647 -5.068 2.558) 8.742 30.980 ( -1.254 3.212 -1.324) 3.694 31.012 ( -1.457 4.461 -0.121) 4.694 31.414 ( -3.447 -8.178 0.733) 8.905 31.557 ( -4.932 -7.853 -4.180) 10.172 31.896 ( -2.724 1.008 10.658) 11.046 32.107 ( 5.096 2.232 -2.802) 6.229 32.219 ( -4.136 -7.013 9.311) 12.368 32.483 ( 6.731 -7.069 -9.337) 13.507 33.888 ( 1.243 5.108 4.728) 7.070 34.174 ( 0.671 2.312 -2.851) 3.731 34.452 ( 1.128 -10.551 2.447) 10.890 34.539 ( -0.476 -10.028 1.194) 10.110 38.491 ( 0.729 34.958 2.672) 35.068 38.908 ( 0.987 29.424 -11.738) 31.694 39.444 ( 2.002 13.679 1.110) 13.869 39.487 ( -0.472 13.826 1.983) 13.976 40.500 ( -0.931 -1.649 1.161) 2.221 40.570 ( -0.218 -0.337 -1.165) 1.232 40.900 ( -1.500 0.916 0.703) 1.893 40.952 ( 1.384 3.422 -4.759) 6.023 41.892 ( 2.983 -9.390 1.797) 10.015 42.084 ( -0.083 -6.051 -1.114) 6.153 42.171 ( -1.571 -9.743 3.125) 10.352 42.273 ( 0.273 -7.356 1.179) 7.455 43.703 ( -4.179 1.278 0.812) 4.445 43.751 ( -2.535 2.336 -1.321) 3.692 44.251 ( 2.527 -11.217 -0.186) 11.500 44.261 ( 1.132 -11.788 0.829) 11.871 44.993 ( 2.649 12.699 -0.091) 12.973 45.124 ( -1.101 13.355 0.590) 13.413 45.204 ( -1.089 12.797 -2.817) 13.149 45.335 ( -0.616 12.215 -0.341) 12.235 45.574 ( 3.054 19.503 -7.091) 20.975 45.638 ( 0.096 19.529 -5.759) 20.360 46.575 ( 11.412 -3.749 1.588) 12.117 46.614 ( 4.614 -3.553 2.568) 6.364 46.992 ( -2.112 -3.524 4.812) 6.327 47.144 ( 2.006 -5.332 -3.776) 6.834 47.501 ( 5.762 -6.790 -1.695) 9.065 47.598 ( -3.067 -10.989 -0.059) 11.409 47.867 ( 6.700 3.254 5.363) 9.178 48.069 ( 1.851 -2.758 -4.383) 5.500 48.171 ( 8.457 -5.750 -1.901) 10.402 48.387 ( -9.724 -8.375 1.490) 12.920 49.629 ( -6.014 -0.138 3.308) 6.866 49.648 ( -0.245 0.720 -1.830) 1.982 49.817 ( -1.098 -3.911 1.703) 4.405 49.971 ( -5.972 -6.257 1.828) 8.840 52.289 ( -4.571 3.976 1.214) 6.179 52.358 ( -1.947 4.799 -1.833) 5.494 52.590 ( -1.958 -3.281 1.732) 4.195 52.667 ( -0.245 -3.317 -1.910) 3.835 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 13.720 11.552 32.012) 36.694 2.922 ( 10.631 -8.297 23.378) 26.989 3.267 ( -10.173 16.610 31.860) 37.342 3.439 ( -11.368 5.870 -25.746) 28.750 3.548 ( -10.128 -5.268 -17.350) 20.769 3.610 ( -7.600 -7.335 11.266) 15.443 3.845 ( -1.136 16.849 -4.413) 17.454 4.019 ( -1.647 8.576 -0.743) 8.764 4.133 ( -3.051 1.613 3.487) 4.906 4.280 ( 1.607 -0.262 -2.345) 2.854 4.325 ( -3.144 13.182 1.366) 13.620 4.417 ( 4.068 0.690 -2.984) 5.092 4.558 ( -4.674 16.055 9.103) 19.039 4.682 ( -2.518 6.693 6.942) 9.966 4.707 ( 2.405 3.207 -0.435) 4.032 4.856 ( -4.687 -2.255 0.483) 5.224 4.931 ( 2.409 3.415 3.214) 5.272 5.056 ( 2.182 -1.247 0.010) 2.514 5.114 ( 2.723 3.065 -4.529) 6.109 5.207 ( 3.153 3.049 1.128) 4.529 5.338 ( 1.876 1.452 -4.036) 4.682 5.353 ( 1.089 -6.852 -1.461) 7.090 5.406 ( 2.388 1.106 -0.350) 2.655 5.457 ( 1.963 -1.771 -1.749) 3.170 5.506 ( 2.980 -9.291 0.500) 9.770 5.581 ( 6.470 6.915 -26.487) 28.129 5.627 ( -0.057 -10.340 0.107) 10.340 5.871 ( 3.370 -10.976 -24.007) 26.611 6.884 ( 2.797 -1.909 0.343) 3.403 6.902 ( -1.199 -4.202 -1.023) 4.488 6.989 ( 2.568 0.948 1.515) 3.128 7.028 ( -0.121 -1.207 -1.439) 1.882 7.072 ( 9.321 -3.566 2.878) 10.387 7.128 ( -0.888 -7.247 -1.064) 7.378 7.393 ( -4.771 -1.637 -1.122) 5.168 7.422 ( -5.441 -4.328 -3.296) 7.694 7.960 ( -1.437 4.111 10.202) 11.093 8.055 ( -1.756 -4.504 9.184) 10.378 8.173 ( -0.339 3.431 -7.729) 8.463 8.247 ( 0.449 -3.437 -6.917) 7.737 8.522 ( -3.261 2.042 3.840) 5.436 8.548 ( -1.142 -0.421 1.925) 2.278 8.896 ( -0.873 -0.399 3.926) 4.041 8.908 ( -0.005 -1.277 2.564) 2.864 9.623 ( -2.454 4.247 1.460) 5.118 9.647 ( 0.930 2.038 -0.515) 2.299 9.861 ( -0.468 3.719 3.090) 4.858 9.924 ( 2.786 -1.890 -2.410) 4.140 12.741 ( 3.988 8.449 2.450) 9.658 12.801 ( -2.683 3.506 -3.131) 5.413 13.441 ( 1.661 1.826 8.961) 9.295 13.531 ( -3.943 -4.321 2.452) 6.343 13.687 ( 0.541 1.576 0.742) 1.824 13.811 ( 0.901 -7.876 -8.278) 11.462 14.599 ( -1.144 10.271 12.618) 16.310 14.783 ( -0.917 -6.405 -3.178) 7.208 16.207 ( 0.160 5.162 -7.431) 9.050 16.278 ( 1.601 -0.844 -12.803) 12.931 17.045 ( 1.946 -3.036 0.308) 3.619 17.059 ( -0.189 -3.347 -0.935) 3.480 17.607 ( -0.332 7.283 2.143) 7.599 17.654 ( -2.602 4.827 -1.777) 5.764 18.054 ( -3.136 -6.337 2.547) 7.515 18.075 ( 3.707 -6.668 0.350) 7.637 18.744 ( 6.447 7.956 7.114) 12.468 18.865 ( -4.519 4.584 -3.959) 7.557 19.023 ( 5.321 -8.870 10.729) 14.903 19.149 ( -7.360 -12.408 -0.993) 14.461 20.096 ( 6.681 9.767 -0.316) 11.837 20.167 ( -3.790 8.729 -5.204) 10.847 20.337 ( 1.022 -7.301 -1.958) 7.628 20.415 ( -3.346 -8.742 -7.433) 11.953 21.189 ( 2.261 4.860 4.339) 6.897 21.253 ( -2.089 0.585 -1.356) 2.558 21.569 ( 1.920 -0.570 4.123) 4.584 21.657 ( -1.633 -6.826 -3.714) 7.941 22.242 ( -4.241 4.624 3.275) 7.078 22.307 ( 3.329 3.255 -2.643) 5.354 22.379 ( -4.958 -6.981 1.461) 8.686 22.416 ( 5.608 -6.061 -1.757) 8.443 23.615 ( 0.385 13.389 6.585) 14.925 23.643 ( -2.619 9.949 5.398) 11.618 23.833 ( -0.486 6.005 -2.440) 6.500 23.886 ( 2.805 2.986 -6.740) 7.887 24.396 ( 1.549 5.148 5.343) 7.580 24.458 ( 1.667 -1.368 3.182) 3.844 24.579 ( -3.523 1.319 -8.465) 9.264 24.592 ( -2.674 -1.022 -6.468) 7.073 25.869 ( 1.675 2.527 5.723) 6.476 25.962 ( -0.569 -4.417 2.101) 4.924 26.020 ( 1.129 0.104 -2.297) 2.561 26.095 ( -0.602 -5.375 -4.654) 7.135 26.828 ( -1.469 9.329 7.021) 11.768 26.926 ( -0.214 3.927 -0.498) 3.965 27.111 ( 0.462 2.997 4.582) 5.495 27.246 ( -0.689 -5.284 -6.493) 8.400 27.684 ( 0.816 -5.211 2.119) 5.684 27.703 ( 5.150 -6.149 0.394) 8.030 27.847 ( 1.061 -1.098 5.151) 5.372 27.886 ( -1.442 -3.799 1.977) 4.519 28.558 ( 3.314 1.105 7.166) 7.972 28.575 ( 2.003 -0.757 6.677) 7.012 28.868 ( -6.105 3.170 -8.883) 11.235 28.877 ( -1.654 1.722 -8.205) 8.545 29.041 ( -1.658 2.306 3.440) 4.460 29.129 ( -0.986 -2.795 -4.983) 5.798 29.274 ( -2.160 -0.267 8.520) 8.794 29.347 ( -3.459 -6.314 3.545) 8.025 29.871 ( 3.285 2.597 -0.373) 4.204 29.915 ( -1.335 1.206 -4.561) 4.903 30.016 ( 1.814 1.289 0.357) 2.254 30.122 ( 3.628 -5.869 -7.995) 10.561 30.490 ( 3.530 5.593 2.062) 6.928 30.522 ( -2.510 5.649 -0.891) 6.246 30.615 ( 5.068 -5.295 2.587) 7.773 30.646 ( -4.619 -5.153 -0.585) 6.944 31.058 ( 0.502 4.935 -0.053) 4.961 31.079 ( -1.096 4.030 -1.713) 4.514 31.268 ( 0.685 -4.050 0.122) 4.110 31.304 ( -1.775 -6.267 -2.996) 7.170 32.010 ( -5.034 2.927 9.820) 11.416 32.100 ( -5.331 -5.185 9.280) 11.892 32.216 ( 4.948 3.620 -6.923) 9.248 32.324 ( 6.048 -6.238 -9.151) 12.619 34.098 ( 0.653 6.548 5.048) 8.294 34.193 ( -0.858 3.762 -3.367) 5.121 34.282 ( -0.519 -7.645 3.070) 8.254 34.345 ( 0.231 -7.486 -2.455) 7.882 39.196 ( 0.485 21.735 3.817) 22.073 39.292 ( -0.994 15.177 -5.047) 16.025 39.663 ( 1.240 2.870 1.050) 3.298 39.688 ( -0.002 2.909 -1.408) 3.232 40.519 ( 0.149 2.198 1.475) 2.651 40.550 ( -0.141 0.253 -1.298) 1.329 40.883 ( -0.708 -0.780 0.283) 1.091 40.910 ( -0.940 -2.658 -2.366) 3.681 41.851 ( -0.003 0.865 5.408) 5.477 41.959 ( 0.051 -2.361 -3.756) 4.437 42.001 ( 0.514 -6.714 3.288) 7.494 42.085 ( 0.459 -8.250 -3.440) 8.950 43.791 ( -0.768 7.426 1.702) 7.657 43.827 ( 0.825 6.792 -1.529) 7.010 44.015 ( -1.093 -10.932 1.475) 11.085 44.039 ( 0.814 -10.584 -0.749) 10.642 45.274 ( 2.176 7.621 2.441) 8.293 45.333 ( 1.468 3.221 2.427) 4.292 45.343 ( -2.729 7.341 -3.472) 8.567 45.415 ( -2.271 1.683 -4.521) 5.332 46.011 ( 1.368 21.079 0.290) 21.125 46.038 ( -0.570 20.491 -1.826) 20.580 46.459 ( -0.117 -16.178 0.507) 16.186 46.469 ( 0.778 -15.699 -0.379) 15.723 47.045 ( -0.478 7.704 2.582) 8.140 47.106 ( 0.502 6.423 -2.945) 7.084 47.290 ( -0.558 -12.260 2.187) 12.466 47.346 ( 0.690 -12.213 -2.911) 12.574 48.014 ( -3.617 3.509 1.475) 5.251 48.049 ( 1.615 0.644 -1.715) 2.442 48.178 ( -3.888 -2.215 1.111) 4.611 48.194 ( 4.796 -3.368 -0.374) 5.872 49.622 ( -1.408 2.254 2.428) 3.600 49.661 ( 2.204 -0.130 -0.993) 2.421 49.765 ( 0.592 -2.928 1.608) 3.392 49.796 ( -0.238 -4.417 -1.109) 4.560 52.386 ( -0.487 5.450 2.073) 5.851 52.430 ( 0.401 4.398 -1.914) 4.813 52.514 ( -0.452 -3.677 1.852) 4.142 52.557 ( 0.439 -4.603 -2.018) 5.045 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -6.971 8.702 -30.091) 32.090 2.977 ( -6.178 -5.763 -17.857) 19.755 3.320 ( -0.781 6.450 23.987) 24.852 3.400 ( -2.796 5.086 23.691) 24.391 3.603 ( 6.980 7.728 19.831) 22.399 3.629 ( 8.504 14.955 -11.913) 20.926 3.883 ( -5.007 -1.660 8.313) 9.846 3.957 ( -1.226 -2.034 3.084) 3.893 4.153 ( -5.268 1.673 7.740) 9.511 4.226 ( 2.178 6.174 -9.388) 11.446 4.320 ( 0.128 10.921 3.176) 11.374 4.449 ( 0.819 11.943 -2.976) 12.335 4.569 ( -6.165 1.655 7.121) 9.564 4.707 ( 1.447 -0.869 -2.011) 2.625 4.757 ( -2.967 -1.164 4.163) 5.243 4.793 ( 1.807 -4.085 -6.568) 7.943 4.956 ( -8.016 10.686 14.335) 19.595 5.009 ( -3.324 3.265 -8.202) 9.433 5.140 ( 1.343 7.072 1.298) 7.315 5.213 ( 6.519 7.326 -16.885) 19.526 5.289 ( -0.307 3.855 -1.888) 4.303 5.343 ( 2.653 -0.575 0.391) 2.743 5.393 ( 1.202 1.153 0.254) 1.685 5.474 ( 2.752 -1.107 -3.075) 4.272 5.495 ( 6.747 -1.280 -5.795) 8.986 5.566 ( 6.578 -7.161 -4.122) 10.561 5.673 ( 1.741 -13.604 -6.683) 15.256 5.713 ( 2.027 -13.826 4.835) 14.787 6.812 ( -6.600 0.652 -2.491) 7.085 6.877 ( -5.567 -4.805 -2.522) 7.774 6.978 ( -3.456 -0.302 -4.563) 5.733 6.998 ( -1.311 -2.819 -1.512) 3.457 7.070 ( 4.417 -2.292 -0.846) 5.047 7.152 ( 0.421 -8.451 -3.052) 8.995 7.444 ( 5.302 -1.617 6.247) 8.352 7.459 ( 4.540 -3.477 7.002) 9.040 8.009 ( -4.594 3.029 -0.547) 5.529 8.049 ( -4.421 0.613 -2.144) 4.952 8.113 ( -6.148 -1.660 9.133) 11.134 8.138 ( -3.923 -2.568 -2.051) 5.118 8.523 ( -1.838 2.854 2.965) 4.507 8.568 ( 0.484 -1.493 1.011) 1.866 8.916 ( 0.652 1.110 0.406) 1.350 8.954 ( 2.792 -2.312 0.075) 3.626 9.624 ( 0.172 5.245 1.598) 5.486 9.672 ( 2.386 0.822 0.350) 2.548 9.899 ( 2.156 3.029 0.697) 3.782 9.944 ( 4.934 -1.043 -4.102) 6.500 12.711 ( -3.184 9.419 -3.101) 10.415 12.818 ( 2.165 0.549 1.621) 2.760 13.496 ( 0.814 4.278 -3.313) 5.472 13.584 ( 4.857 -2.034 4.316) 6.808 13.741 ( 2.636 -2.967 -3.959) 5.605 13.775 ( 4.723 -5.237 3.204) 7.745 14.716 ( 1.621 3.675 -7.525) 8.530 14.750 ( 2.051 0.264 8.369) 8.621 16.035 ( -12.599 7.162 1.221) 14.544 16.201 ( -4.820 -6.797 0.265) 8.337 17.002 ( -1.816 2.316 -0.791) 3.048 17.091 ( 1.036 -3.129 -1.223) 3.516 17.570 ( -2.511 9.096 1.406) 9.540 17.729 ( 5.619 -2.502 2.149) 6.516 18.023 ( -1.975 -1.687 0.513) 2.648 18.115 ( 2.321 -7.653 -1.687) 8.173 18.710 ( -5.048 6.423 -5.452) 9.821 18.862 ( -2.767 -3.699 -0.912) 4.709 19.034 ( 0.574 1.460 -0.187) 1.580 19.226 ( 4.957 -12.749 4.283) 14.334 20.002 ( -4.832 11.037 -2.870) 12.385 20.196 ( -1.318 -3.541 -2.259) 4.402 20.319 ( 4.972 2.901 3.722) 6.855 20.468 ( 6.688 -7.913 3.018) 10.791 21.172 ( -1.429 5.516 -1.152) 5.814 21.305 ( 4.370 -4.337 0.598) 6.185 21.549 ( -2.199 1.651 -1.543) 3.153 21.688 ( 2.940 -8.713 1.011) 9.251 22.131 ( -9.280 7.924 2.208) 12.401 22.308 ( -4.522 -8.020 2.468) 9.532 22.375 ( 3.559 4.140 -2.421) 5.972 22.511 ( 8.110 -7.192 -1.736) 10.978 23.659 ( 0.386 12.145 -0.706) 12.172 23.690 ( 1.325 10.722 2.300) 11.045 23.782 ( -2.236 9.341 0.574) 9.622 23.890 ( 4.553 1.157 -3.012) 5.580 24.445 ( -0.245 1.351 -6.589) 6.730 24.451 ( -0.963 0.181 -1.732) 1.990 24.551 ( 3.368 3.600 8.328) 9.678 24.602 ( 4.038 -1.423 5.373) 6.870 25.898 ( -0.912 2.386 -5.149) 5.748 25.969 ( 2.010 0.064 4.477) 4.909 26.011 ( -1.572 -4.184 -4.165) 6.109 26.077 ( 1.482 -5.697 2.562) 6.420 26.869 ( -2.085 8.670 1.561) 9.053 26.908 ( 0.723 7.903 -0.100) 7.936 27.110 ( -4.944 0.848 -1.628) 5.274 27.214 ( 1.621 -4.883 2.402) 5.678 27.558 ( -12.117 -6.272 -1.549) 13.732 27.571 ( -13.001 -6.853 -5.423) 15.666 27.887 ( 0.850 1.988 -0.800) 2.306 27.973 ( 3.052 -5.050 -1.732) 6.149 28.602 ( 0.607 2.265 -6.667) 7.067 28.637 ( 1.870 -1.005 -6.966) 7.282 28.851 ( 5.443 2.541 8.943) 10.773 28.906 ( 8.465 -0.582 7.941) 11.621 29.048 ( -1.938 2.609 2.464) 4.078 29.116 ( 1.900 -1.665 1.656) 3.021 29.315 ( -2.259 -1.824 -0.175) 2.909 29.347 ( -2.541 -4.623 6.632) 8.474 29.805 ( -2.694 7.537 -2.216) 8.305 29.931 ( 2.012 -2.067 0.787) 2.990 30.023 ( -0.990 -0.577 -1.765) 2.104 30.078 ( 0.359 -4.552 -4.823) 6.641 30.480 ( 1.922 3.493 -1.865) 4.401 30.560 ( -2.714 -3.750 -1.541) 4.879 30.614 ( 7.825 5.713 -0.178) 9.690 30.741 ( 6.704 -6.252 0.139) 9.168 31.054 ( 0.834 4.471 -0.340) 4.561 31.091 ( 1.736 2.831 1.907) 3.830 31.268 ( 0.632 -3.340 -0.481) 3.433 31.320 ( 2.891 -6.103 2.320) 7.141 32.033 ( -6.359 2.504 7.896) 10.443 32.117 ( -6.164 -4.878 7.771) 11.053 32.191 ( 3.442 3.231 -7.473) 8.839 32.295 ( 5.298 -6.156 -9.580) 12.559 34.113 ( -2.359 6.428 -2.613) 7.328 34.172 ( 0.566 4.739 2.701) 5.484 34.282 ( -2.554 -7.411 0.242) 7.842 34.337 ( 0.974 -8.671 0.016) 8.725 39.230 ( 0.199 21.326 -3.902) 21.681 39.268 ( 1.727 18.070 4.849) 18.789 39.645 ( -2.397 2.882 -1.578) 4.067 39.684 ( 0.051 0.796 -0.091) 0.803 40.530 ( -0.015 1.155 -0.885) 1.455 40.547 ( 0.733 0.855 0.817) 1.391 40.875 ( -1.028 -0.508 1.143) 1.619 40.906 ( 0.674 -1.997 1.660) 2.683 41.883 ( -1.085 3.269 -1.780) 3.877 41.938 ( 1.876 -1.951 1.334) 3.018 42.041 ( 0.684 -8.299 -2.553) 8.709 42.061 ( 1.149 -9.295 1.123) 9.433 43.806 ( 0.132 6.194 1.435) 6.359 43.827 ( 1.721 6.596 -1.534) 6.987 44.005 ( -2.169 -10.053 1.067) 10.340 44.036 ( -0.077 -10.522 -0.792) 10.552 45.260 ( -2.117 8.581 -2.521) 9.191 45.342 ( -0.611 1.838 -2.945) 3.525 45.355 ( 2.797 7.754 3.710) 9.039 45.416 ( 2.902 2.746 4.346) 5.903 45.975 ( -3.808 20.002 -1.635) 20.427 46.020 ( -1.737 19.700 0.524) 19.783 46.398 ( -6.122 -13.892 -0.598) 15.193 46.451 ( -3.540 -15.289 -0.241) 15.695 47.078 ( 0.229 7.114 2.725) 7.621 47.084 ( 1.397 6.306 -2.680) 6.993 47.297 ( -1.822 -10.396 0.754) 10.581 47.329 ( 1.120 -13.265 -0.856) 13.340 47.923 ( -9.496 1.667 2.697) 10.011 47.978 ( -8.352 -2.454 0.199) 8.707 48.147 ( -1.100 3.842 -1.005) 4.120 48.264 ( 3.592 -6.330 -0.665) 7.309 49.650 ( 1.992 3.031 1.212) 3.824 49.697 ( 4.834 -0.860 -2.276) 5.412 49.781 ( 2.474 -1.008 -0.532) 2.724 49.841 ( 4.849 -6.304 -0.143) 7.955 52.417 ( 1.413 5.128 0.949) 5.404 52.432 ( 2.515 4.545 -0.860) 5.265 52.541 ( 0.797 -4.117 1.652) 4.508 52.550 ( 1.789 -4.211 -1.581) 4.841 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 11.717 11.836 -19.725) 25.816 2.745 ( 7.899 -9.598 -13.428) 18.298 3.480 ( -5.864 11.274 5.291) 13.765 3.539 ( -7.891 3.915 10.933) 14.040 3.622 ( -1.472 9.871 7.017) 12.200 3.785 ( -0.486 1.052 -6.137) 6.245 3.904 ( 1.843 10.728 9.897) 14.712 4.068 ( -1.158 5.678 4.027) 7.056 4.164 ( -2.668 1.186 6.726) 7.332 4.193 ( -0.065 -0.060 3.739) 3.740 4.332 ( -4.637 10.500 1.497) 11.576 4.388 ( -2.948 17.479 -2.245) 17.867 4.533 ( -6.449 -2.996 2.447) 7.520 4.648 ( -2.004 6.271 -3.595) 7.501 4.711 ( -3.011 -3.521 -3.308) 5.693 4.765 ( 3.090 0.002 -5.392) 6.215 4.863 ( -2.827 1.742 -0.852) 3.428 5.008 ( -4.006 -8.232 6.059) 10.978 5.086 ( 2.636 7.878 -8.343) 11.774 5.188 ( -4.428 3.890 -2.185) 6.286 5.199 ( 8.338 2.516 -11.723) 14.604 5.370 ( -2.142 -3.131 -2.560) 4.577 5.444 ( 2.905 -5.836 -2.857) 7.118 5.482 ( 4.207 -5.780 -9.634) 11.996 5.565 ( 7.410 -3.769 -4.578) 9.491 5.616 ( 8.002 -7.219 -6.662) 12.669 5.708 ( 5.310 6.534 13.409) 15.833 5.885 ( -1.390 -5.935 14.655) 15.872 6.672 ( -8.015 0.316 -0.104) 8.021 6.682 ( -7.317 -0.618 -2.878) 7.887 6.952 ( 0.741 -1.857 1.164) 2.313 7.007 ( 0.516 -7.223 2.213) 7.572 7.087 ( 1.233 -3.412 -3.957) 5.368 7.133 ( 2.229 -7.429 -1.655) 7.931 7.600 ( 3.279 -0.729 6.497) 7.314 7.615 ( 2.917 -2.307 7.514) 8.383 7.880 ( -2.464 2.235 -5.368) 6.315 7.923 ( -4.496 -1.787 -3.130) 5.762 8.129 ( -7.998 -0.077 10.692) 13.352 8.148 ( -5.515 -1.762 9.737) 11.328 8.525 ( -0.910 2.758 0.188) 2.911 8.568 ( -0.153 -1.425 -1.518) 2.087 8.922 ( 1.611 2.321 -2.558) 3.812 8.977 ( 2.383 -2.661 -3.170) 4.776 9.664 ( 1.783 5.315 2.183) 6.016 9.722 ( 2.327 -0.056 1.523) 2.781 9.937 ( 3.340 2.548 -1.730) 4.543 9.967 ( 5.732 -0.288 -5.660) 8.061 12.658 ( -0.459 11.474 0.135) 11.484 12.858 ( 0.642 -6.220 2.509) 6.738 13.468 ( 3.768 8.084 -7.755) 11.819 13.641 ( 2.847 -7.129 -8.362) 11.351 13.746 ( 4.328 8.098 1.469) 9.299 13.940 ( 5.736 -9.762 5.786) 12.715 14.635 ( 3.228 11.111 -11.393) 16.238 14.819 ( -0.176 -5.863 -2.006) 6.199 15.957 ( -8.990 5.373 15.813) 18.967 16.136 ( -11.766 -10.347 11.982) 19.724 16.995 ( 0.091 6.156 0.937) 6.228 17.060 ( -2.850 3.481 -0.799) 4.570 17.575 ( -0.624 5.269 2.768) 5.984 17.782 ( -1.008 -11.551 0.119) 11.595 18.041 ( 4.103 1.658 -1.009) 4.539 18.114 ( 2.957 -5.422 -4.083) 7.404 18.602 ( -2.061 3.628 -3.601) 5.512 18.740 ( -2.751 -7.999 -4.644) 9.650 19.057 ( 0.934 7.411 -4.196) 8.567 19.236 ( -2.244 -8.190 -5.970) 10.381 19.971 ( 0.577 9.451 2.769) 9.865 20.165 ( -0.105 -7.712 1.982) 7.963 20.437 ( 0.450 5.431 4.102) 6.821 20.582 ( 0.934 -7.758 3.999) 8.778 21.197 ( 5.192 6.092 0.469) 8.018 21.380 ( 6.141 -10.608 1.159) 12.312 21.542 ( 2.010 4.121 0.482) 4.610 21.696 ( -3.001 -9.020 2.086) 9.732 22.072 ( -3.457 7.929 3.360) 9.279 22.273 ( -4.145 -10.350 2.384) 11.401 22.377 ( 1.639 9.355 -3.313) 10.058 22.588 ( 5.617 -9.385 -3.335) 11.434 23.634 ( 2.773 14.164 -6.592) 15.867 23.692 ( -0.191 10.551 -3.091) 10.996 23.809 ( 0.374 8.312 4.784) 9.598 23.929 ( 3.273 -0.288 -1.174) 3.489 24.378 ( -1.029 1.766 -1.724) 2.674 24.440 ( 2.579 -2.833 -2.181) 4.408 24.703 ( 2.475 5.192 7.637) 9.561 24.768 ( 3.004 -0.157 10.707) 11.122 25.829 ( 0.629 1.491 -5.245) 5.489 25.908 ( -0.897 -6.065 -7.098) 9.379 26.070 ( 1.624 0.667 5.367) 5.647 26.130 ( 0.775 -4.402 3.189) 5.491 26.827 ( -0.961 10.212 -2.668) 10.599 26.933 ( 0.293 3.052 1.423) 3.380 27.021 ( -4.620 8.984 0.255) 10.105 27.255 ( -1.487 -6.201 -0.577) 6.403 27.284 ( -8.819 -2.318 -6.430) 11.158 27.374 ( -9.961 -11.477 -0.512) 15.205 27.794 ( -5.631 4.067 -7.970) 10.573 27.907 ( -2.751 -5.870 -7.865) 10.193 28.528 ( 0.650 3.713 -4.153) 5.609 28.609 ( 3.013 -2.897 -3.959) 5.757 28.979 ( 1.497 1.639 1.129) 2.491 29.047 ( 0.155 -2.140 -0.186) 2.153 29.179 ( 10.290 6.314 8.334) 14.669 29.246 ( 0.178 4.512 5.733) 7.297 29.311 ( 4.282 -4.768 7.379) 9.774 29.384 ( -0.511 -6.270 4.913) 7.982 29.757 ( -1.360 6.902 -1.689) 7.234 29.924 ( -0.171 -7.362 -5.990) 9.492 30.024 ( -1.271 0.672 7.044) 7.189 30.042 ( -3.584 -0.324 5.388) 6.479 30.484 ( 0.682 0.972 -2.151) 2.457 30.533 ( 4.829 -4.154 -5.129) 8.178 30.702 ( 6.061 5.230 -3.827) 8.873 30.820 ( 5.642 -5.450 -2.570) 8.254 31.099 ( 3.835 4.199 1.149) 5.802 31.165 ( 4.052 1.830 2.174) 4.949 31.292 ( 1.144 -2.223 1.515) 2.923 31.393 ( 2.057 -7.680 2.532) 8.345 32.012 ( -7.612 3.053 6.339) 10.365 32.107 ( -5.920 -5.126 5.788) 9.737 32.141 ( 2.504 3.465 -7.624) 8.741 32.254 ( 4.765 -6.374 -9.382) 12.303 34.050 ( -0.865 7.919 -2.522) 8.356 34.200 ( -1.122 3.268 2.116) 4.052 34.239 ( -2.072 -7.297 -0.860) 7.634 34.348 ( -0.348 -8.465 0.331) 8.479 39.203 ( 1.545 25.897 -2.341) 26.049 39.362 ( 1.736 17.391 5.402) 18.293 39.576 ( -3.097 0.918 -2.335) 3.986 39.677 ( -0.592 -1.268 -0.054) 1.401 40.521 ( 0.698 1.442 -0.974) 1.875 40.570 ( 0.439 -0.926 1.217) 1.591 40.892 ( -0.092 1.359 2.844) 3.153 40.950 ( 0.222 -1.144 3.784) 3.959 41.835 ( 0.209 4.890 -3.679) 6.123 41.983 ( 0.168 -2.149 1.816) 2.819 42.011 ( 2.145 -9.367 -4.740) 10.715 42.082 ( -0.395 -8.803 0.036) 8.812 43.829 ( 1.464 3.677 0.310) 3.970 43.843 ( 2.025 4.920 -0.483) 5.342 43.979 ( -2.610 -8.520 0.861) 8.953 44.016 ( -1.119 -9.376 -0.869) 9.482 45.221 ( -0.435 10.039 -0.463) 10.059 45.324 ( 1.310 1.364 -0.663) 2.004 45.443 ( 1.740 9.260 3.987) 10.231 45.513 ( 2.242 3.201 4.049) 5.627 45.890 ( -4.155 16.627 -1.467) 17.201 45.975 ( -4.781 15.356 0.235) 16.084 46.280 ( -6.595 -9.925 -1.637) 12.028 46.366 ( -6.690 -11.600 -0.252) 13.393 47.080 ( 2.176 5.394 -2.222) 6.226 47.122 ( 0.934 5.509 2.541) 6.138 47.262 ( -2.905 -7.239 0.074) 7.800 47.349 ( 1.089 -13.018 0.681) 13.081 47.808 ( -9.257 0.254 1.769) 9.428 47.862 ( -8.417 -5.333 3.189) 10.462 48.096 ( -2.063 6.702 -2.751) 7.532 48.270 ( -0.370 -9.201 -2.363) 9.506 49.705 ( 3.260 3.150 0.881) 4.618 49.750 ( 5.501 -0.938 -1.985) 5.923 49.836 ( 5.274 -0.123 -0.852) 5.344 49.908 ( 4.407 -6.654 -0.709) 8.013 52.451 ( 3.000 4.648 -0.506) 5.555 52.476 ( 2.498 3.654 0.767) 4.492 52.564 ( 2.651 -3.752 -1.111) 4.726 52.580 ( 1.013 -3.818 1.536) 4.238 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 26.259 11.385 -1.983) 28.689 2.908 ( 19.974 -8.510 1.942) 21.798 3.383 ( -16.458 7.845 7.375) 19.668 3.461 ( -4.854 1.517 -2.401) 5.624 3.660 ( -0.717 7.165 2.057) 7.489 3.726 ( -1.867 4.336 -4.235) 6.342 3.910 ( -8.011 5.932 0.750) 9.997 4.056 ( -8.062 2.654 -0.567) 8.507 4.116 ( -3.483 10.729 3.613) 11.845 4.253 ( 0.006 20.830 -1.433) 20.879 4.317 ( -5.722 3.628 7.376) 10.015 4.350 ( 3.563 5.694 4.001) 7.817 4.476 ( -3.575 4.067 1.915) 5.743 4.575 ( -6.883 3.274 2.916) 8.161 4.673 ( -0.307 -4.661 -1.293) 4.847 4.760 ( 1.872 0.404 -2.257) 2.960 4.839 ( -0.209 5.659 -1.649) 5.898 4.986 ( -3.193 -6.068 -3.574) 7.733 5.035 ( -2.055 2.918 -1.072) 3.727 5.080 ( 3.610 5.341 -5.342) 8.372 5.236 ( 8.655 -4.550 -7.438) 12.286 5.262 ( -1.815 -8.539 -3.641) 9.458 5.416 ( 0.688 -4.215 -6.503) 7.780 5.469 ( 7.013 -7.838 -5.434) 11.838 5.563 ( 7.594 -0.372 -14.177) 16.087 5.625 ( 5.616 -7.498 -7.309) 11.882 5.823 ( -9.243 4.490 1.928) 10.456 5.856 ( -13.847 0.498 0.354) 13.861 6.654 ( 1.806 2.167 8.566) 9.019 6.734 ( 3.701 -5.707 9.327) 11.544 7.005 ( 2.037 -3.555 0.069) 4.098 7.032 ( 0.499 -6.195 -1.730) 6.451 7.086 ( 3.768 0.407 4.733) 6.063 7.187 ( 4.006 -7.985 5.419) 10.449 7.682 ( -1.092 0.216 2.315) 2.568 7.702 ( -1.588 -1.753 3.352) 4.102 7.865 ( 4.553 0.903 0.987) 4.745 7.897 ( 2.248 -1.915 2.147) 3.651 8.122 ( -8.687 0.470 8.549) 12.197 8.149 ( -9.786 -2.095 9.015) 13.470 8.500 ( -1.587 2.592 -0.728) 3.125 8.537 ( -0.731 -0.955 -1.774) 2.143 8.896 ( 0.964 2.450 -4.882) 5.547 8.947 ( 1.089 -2.231 -5.893) 6.395 9.725 ( 1.194 4.351 3.610) 5.778 9.774 ( 0.627 -0.244 2.996) 3.071 9.952 ( 2.737 2.343 -3.501) 5.024 9.974 ( 5.019 0.253 -6.638) 8.326 12.714 ( 2.959 10.908 5.899) 12.749 12.924 ( 1.304 -8.345 6.387) 10.589 13.393 ( 1.599 6.290 -12.444) 14.034 13.509 ( -0.585 -4.158 -13.928) 14.547 13.855 ( 5.291 11.256 2.645) 12.716 14.042 ( 0.747 -4.371 1.968) 4.852 14.541 ( 2.294 6.572 -9.671) 11.915 14.706 ( -5.492 -6.735 -6.755) 11.007 16.135 ( -1.399 -0.119 20.621) 20.669 16.207 ( -2.736 -6.135 21.574) 22.596 16.924 ( -4.956 8.533 -6.823) 11.998 17.032 ( -2.499 0.828 0.158) 2.637 17.638 ( 1.869 1.408 7.110) 7.485 17.749 ( -2.265 -8.725 1.325) 9.111 18.059 ( 2.701 0.864 -6.036) 6.669 18.118 ( 3.474 -5.100 -4.231) 7.482 18.561 ( 0.859 4.862 -0.701) 4.987 18.701 ( 1.737 -6.328 -1.730) 6.787 18.947 ( -4.097 3.869 -8.536) 10.228 19.049 ( -5.813 -4.145 -11.881) 13.862 20.063 ( 4.197 8.305 5.295) 10.706 20.226 ( 2.576 -5.904 3.318) 7.245 20.438 ( -3.089 2.196 1.194) 3.974 20.574 ( -4.901 -9.897 0.498) 11.055 21.308 ( 4.976 8.930 3.737) 10.885 21.513 ( 5.601 -10.388 1.648) 11.917 21.615 ( 4.105 0.293 4.062) 5.783 21.699 ( -1.352 -5.919 3.994) 7.267 22.067 ( -3.120 5.071 3.070) 6.698 22.247 ( -1.229 -6.182 1.363) 6.449 22.353 ( -0.000 7.048 -2.473) 7.469 22.595 ( 2.422 -11.401 -5.503) 12.890 23.588 ( 0.926 13.536 -5.534) 14.653 23.629 ( -1.151 10.910 -4.509) 11.861 23.873 ( 1.148 6.201 2.674) 6.850 23.952 ( 3.343 0.687 -3.279) 4.733 24.374 ( -0.590 2.920 2.933) 4.181 24.467 ( 3.125 -4.024 -1.176) 5.229 24.813 ( 0.673 6.330 6.487) 9.089 24.902 ( -2.513 -1.187 9.245) 9.654 25.792 ( 1.735 0.357 -3.729) 4.128 25.825 ( 1.053 -3.532 -5.837) 6.903 26.147 ( 0.437 -0.946 4.218) 4.345 26.177 ( 1.126 -2.884 1.803) 3.582 26.789 ( -0.991 10.902 -0.729) 10.972 26.946 ( -0.098 -2.375 -1.112) 2.624 26.971 ( -4.023 12.480 2.027) 13.268 27.086 ( -0.641 7.341 -6.060) 9.540 27.259 ( -3.301 -10.348 1.167) 10.924 27.281 ( -1.631 -11.583 1.569) 11.801 27.567 ( -7.301 4.885 -10.740) 13.875 27.724 ( -3.932 -8.475 -12.123) 15.305 28.522 ( 2.483 5.008 -1.348) 5.750 28.606 ( 1.744 -1.303 -3.250) 3.912 28.985 ( 0.131 -0.514 -0.666) 0.851 29.031 ( -0.722 -3.060 -2.122) 3.793 29.282 ( 2.950 3.889 2.330) 5.409 29.357 ( 0.583 0.123 7.131) 7.156 29.472 ( 0.903 2.203 9.714) 10.001 29.527 ( 0.032 0.696 8.460) 8.489 29.747 ( 4.429 2.979 0.299) 5.346 29.841 ( -0.159 -5.389 -5.485) 7.691 30.095 ( 0.242 -0.103 7.342) 7.347 30.125 ( -2.537 -2.653 11.996) 12.545 30.474 ( 1.857 1.516 -2.044) 3.150 30.553 ( 3.734 -6.454 -2.720) 7.937 30.699 ( 3.200 5.774 -7.884) 10.283 30.836 ( 3.436 -6.535 -6.796) 10.036 31.173 ( 3.432 5.444 0.989) 6.511 31.227 ( 2.317 5.819 -0.946) 6.335 31.345 ( 1.966 -7.023 3.527) 8.101 31.432 ( -0.866 -9.635 2.089) 9.897 31.963 ( -8.838 4.428 6.283) 11.713 32.079 ( -2.395 -2.855 -0.102) 3.728 32.094 ( 0.096 1.049 -2.672) 2.872 32.217 ( 6.244 -6.910 -9.600) 13.375 34.037 ( 1.604 7.888 -0.326) 8.056 34.178 ( -3.435 5.280 -0.080) 6.300 34.221 ( 0.314 -8.630 0.555) 8.654 34.330 ( -1.453 -8.529 -0.937) 8.702 39.223 ( 3.264 26.539 -0.334) 26.741 39.405 ( -4.392 21.433 1.955) 21.966 39.539 ( 2.313 -2.308 0.217) 3.275 39.666 ( -0.785 -1.616 -0.250) 1.814 40.532 ( 1.528 0.767 0.101) 1.713 40.585 ( -0.424 -2.321 1.003) 2.564 40.935 ( 0.189 2.774 3.610) 4.556 40.993 ( -0.813 -0.416 3.504) 3.621 41.810 ( 1.603 5.638 -2.213) 6.265 41.966 ( -0.591 -1.834 -3.182) 3.720 42.002 ( 0.982 -10.228 -1.696) 10.414 42.048 ( -1.499 -7.763 -2.457) 8.279 43.859 ( 2.353 0.916 -0.229) 2.535 43.875 ( 2.030 1.759 0.311) 2.704 43.948 ( -2.740 -6.621 0.787) 7.208 43.984 ( -1.585 -7.351 -0.897) 7.573 45.239 ( 1.673 11.533 1.983) 11.821 45.365 ( 3.004 1.071 1.953) 3.740 45.471 ( -2.905 12.057 0.908) 12.436 45.569 ( 0.181 3.682 1.497) 3.979 45.835 ( -1.739 11.835 0.192) 11.963 45.893 ( -3.901 9.868 -1.214) 10.680 46.187 ( -2.539 -5.331 -1.268) 6.039 46.258 ( -6.306 -7.968 -0.442) 10.171 47.095 ( 2.605 3.425 -1.372) 4.516 47.152 ( -0.578 0.970 0.389) 1.194 47.236 ( -1.257 -0.866 2.755) 3.150 47.369 ( 0.513 -11.413 -0.133) 11.426 47.710 ( -5.596 0.843 1.881) 5.964 47.789 ( -6.051 -6.375 2.506) 9.140 48.043 ( -0.579 4.275 -1.622) 4.609 48.208 ( -1.522 -10.012 -4.431) 11.054 49.760 ( 1.911 3.115 1.155) 3.833 49.803 ( 3.742 -0.515 -1.537) 4.078 49.905 ( 4.170 -1.339 -0.256) 4.387 49.954 ( 2.734 -5.858 -0.946) 6.533 52.492 ( 2.403 4.104 0.099) 4.757 52.514 ( 1.436 2.997 0.265) 3.334 52.596 ( 2.539 -3.502 -0.491) 4.353 52.606 ( 0.068 -3.497 1.219) 3.704 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 5.888 7.849 7.554) 12.383 3.142 ( -3.531 6.764 2.622) 8.068 3.300 ( -8.307 2.800 13.059) 15.728 3.393 ( -3.946 -3.163 7.601) 9.129 3.518 ( -9.353 6.404 -3.203) 11.779 3.644 ( -0.996 -2.136 -11.822) 12.055 3.839 ( 1.479 3.198 -2.042) 4.072 3.918 ( 10.666 -2.390 -7.117) 13.043 4.159 ( -2.849 19.231 5.240) 20.135 4.254 ( 3.293 16.714 -2.174) 17.174 4.348 ( -2.817 12.582 8.244) 15.304 4.438 ( -0.358 5.151 1.470) 5.368 4.472 ( -6.088 3.320 8.129) 10.684 4.514 ( -3.699 0.738 3.897) 5.424 4.609 ( -1.626 3.646 -4.318) 5.881 4.699 ( 2.781 5.770 -9.275) 11.272 4.834 ( -11.375 -1.542 2.881) 11.835 4.917 ( 3.543 -8.883 0.728) 9.592 5.010 ( -4.084 2.404 4.913) 6.826 5.128 ( 6.842 4.648 -4.142) 9.250 5.220 ( -2.576 -9.879 0.633) 10.229 5.299 ( 4.463 -7.696 -2.385) 9.211 5.331 ( 7.339 6.682 -11.243) 14.997 5.443 ( 1.864 -5.013 -10.861) 12.106 5.589 ( 12.438 -0.902 -3.943) 13.079 5.616 ( -6.416 -2.719 -4.054) 8.062 5.631 ( 2.510 -3.673 -5.192) 6.838 5.684 ( 2.394 -4.484 -6.307) 8.100 6.793 ( 1.813 -0.365 6.382) 6.644 6.861 ( 1.964 -6.381 2.436) 7.107 6.972 ( 0.083 -3.603 -3.238) 4.845 7.009 ( 0.556 -7.226 -4.047) 8.301 7.329 ( 6.907 1.402 14.496) 16.119 7.392 ( 5.281 -4.790 12.721) 14.583 7.595 ( -5.691 1.543 -7.187) 9.296 7.636 ( -4.592 -2.504 -5.983) 7.947 7.987 ( 1.418 0.324 4.756) 4.973 8.011 ( 4.583 -1.488 3.589) 6.008 8.074 ( -5.480 0.016 4.270) 6.948 8.095 ( -4.732 -1.827 3.883) 6.387 8.476 ( -3.538 3.018 3.911) 6.076 8.518 ( -1.871 -1.035 2.130) 3.018 8.841 ( -0.091 2.061 -4.360) 4.823 8.878 ( 0.144 -1.510 -6.053) 6.240 9.778 ( -1.446 3.038 4.763) 5.832 9.806 ( -2.221 0.400 3.819) 4.436 9.929 ( 0.717 2.733 -4.554) 5.359 9.958 ( 3.406 0.012 -6.082) 6.971 12.881 ( 3.558 8.614 11.776) 15.017 13.050 ( 0.673 -6.889 10.629) 12.685 13.187 ( -3.891 6.888 -16.214) 18.041 13.322 ( -0.661 -5.388 -14.423) 15.411 13.961 ( 3.566 11.422 2.980) 12.331 14.015 ( -3.596 7.688 -1.418) 8.605 14.507 ( 2.680 -4.601 -1.914) 5.659 14.540 ( -5.438 -6.455 -4.340) 9.491 16.380 ( 2.189 5.404 19.390) 20.248 16.543 ( 6.501 -9.116 20.992) 23.791 16.738 ( -0.788 7.468 -13.139) 15.134 16.908 ( -3.762 -6.974 -11.473) 13.943 17.780 ( -1.040 -1.357 7.115) 7.318 17.796 ( 1.740 -1.710 11.035) 11.301 17.992 ( 0.424 2.850 -7.320) 7.866 18.059 ( -1.855 -2.404 -8.178) 8.723 18.624 ( 5.473 2.770 2.725) 6.712 18.721 ( -0.938 -4.164 2.532) 4.963 18.751 ( -5.534 2.582 -9.297) 11.123 18.849 ( -0.289 -5.009 -9.541) 10.780 20.206 ( 5.508 6.731 4.604) 9.841 20.265 ( -1.673 2.727 -1.173) 3.408 20.436 ( 2.110 -6.361 2.580) 7.181 20.481 ( -4.972 -9.150 -1.618) 10.539 21.424 ( 1.693 6.130 6.132) 8.834 21.536 ( -1.434 -2.297 -3.211) 4.200 21.702 ( -0.286 -6.549 3.559) 7.459 21.739 ( 0.658 -7.328 1.467) 7.502 22.081 ( -1.263 9.642 6.347) 11.613 22.237 ( 0.995 9.006 -6.178) 10.966 22.361 ( 0.036 -10.023 6.224) 11.798 22.528 ( 0.071 -12.530 -7.942) 14.835 23.534 ( -2.588 12.844 -0.572) 13.115 23.569 ( 0.276 10.166 -3.546) 10.771 23.893 ( -1.754 5.876 1.390) 6.287 23.960 ( 4.685 0.874 -4.997) 6.905 24.414 ( -1.562 2.192 4.814) 5.515 24.490 ( 2.282 -3.335 -2.264) 4.632 24.897 ( 0.594 3.642 6.029) 7.069 24.921 ( -4.800 1.523 4.359) 6.660 25.782 ( 0.540 -0.130 -1.979) 2.055 25.788 ( 0.609 -1.015 -2.727) 2.973 26.182 ( -0.417 -1.016 1.796) 2.105 26.207 ( 1.651 -2.755 -0.347) 3.230 26.781 ( -2.189 8.990 2.959) 9.714 26.875 ( -1.390 2.147 -4.758) 5.402 26.981 ( -0.822 11.365 4.505) 12.253 27.081 ( 4.170 9.801 -3.827) 11.318 27.267 ( 0.056 -9.727 4.070) 10.545 27.317 ( 2.937 -10.016 3.176) 10.910 27.358 ( -2.988 2.075 -7.334) 8.186 27.526 ( -0.471 -10.952 -13.241) 17.190 28.551 ( 2.199 3.863 -0.477) 4.471 28.573 ( -1.018 2.255 -2.839) 3.766 28.977 ( -1.472 -1.728 -0.185) 2.277 28.993 ( 0.660 -3.160 -1.644) 3.623 29.382 ( -1.937 3.103 6.104) 7.116 29.443 ( -1.014 7.441 -0.188) 7.512 29.462 ( -2.688 -3.704 9.642) 10.673 29.584 ( -1.357 -3.933 0.334) 4.174 29.812 ( -0.465 3.787 2.433) 4.525 29.868 ( 5.537 1.319 -0.752) 5.741 30.197 ( 1.931 -3.210 5.436) 6.602 30.216 ( -1.901 -4.886 6.609) 8.436 30.488 ( 1.887 2.969 -0.022) 3.518 30.589 ( 0.354 -6.843 3.547) 7.716 30.615 ( 0.714 5.477 -9.457) 10.951 30.753 ( -0.199 -7.402 -9.755) 12.248 31.217 ( 1.110 7.125 0.157) 7.213 31.226 ( -0.529 6.090 -0.797) 6.165 31.411 ( -2.385 -9.564 3.056) 10.320 31.429 ( 1.547 -9.559 0.925) 9.727 31.904 ( -8.924 5.356 6.566) 12.306 32.034 ( -7.483 -5.900 5.095) 10.806 32.084 ( 6.312 4.401 -6.531) 10.093 32.222 ( 9.426 -7.821 -8.945) 15.166 34.080 ( 0.813 6.600 1.819) 6.894 34.118 ( -1.186 6.520 -1.704) 6.843 34.245 ( -0.367 -7.909 2.080) 8.186 34.291 ( 0.077 -8.656 -2.202) 8.932 39.293 ( 4.597 23.083 1.434) 23.580 39.319 ( -5.552 21.026 -0.863) 21.764 39.604 ( 2.150 1.712 1.788) 3.279 39.642 ( -0.395 -0.351 -1.653) 1.735 40.566 ( 1.725 -1.207 0.901) 2.290 40.576 ( -1.725 -1.712 0.105) 2.433 40.978 ( -1.116 2.701 3.683) 4.702 41.009 ( -0.335 0.442 1.129) 1.258 41.830 ( 0.890 3.625 1.055) 3.878 41.900 ( -0.185 0.041 -4.883) 4.887 41.985 ( -1.916 -9.054 -0.222) 9.258 42.012 ( 2.040 -8.361 -2.644) 9.003 43.883 ( -1.318 -1.172 0.686) 1.893 43.898 ( 1.513 -0.442 -0.759) 1.749 43.930 ( -0.566 -5.330 1.243) 5.503 43.955 ( 0.163 -5.485 -1.036) 5.584 45.316 ( 2.987 12.592 3.982) 13.541 45.395 ( -3.755 12.859 -2.695) 13.664 45.453 ( 1.558 1.839 4.563) 5.161 45.536 ( -2.965 1.782 -2.077) 4.035 45.827 ( -0.242 10.624 1.032) 10.677 45.871 ( 4.083 7.558 -2.870) 9.057 46.154 ( -4.659 -3.036 2.119) 5.951 46.200 ( 3.096 -6.401 -2.137) 7.424 47.113 ( -2.236 1.181 0.417) 2.563 47.128 ( 1.763 0.332 -0.969) 2.039 47.287 ( 1.035 -0.729 3.619) 3.834 47.353 ( -0.033 -6.480 -2.388) 6.906 47.689 ( -2.676 0.074 3.766) 4.620 47.753 ( 1.527 -3.795 -1.087) 4.233 48.045 ( 0.483 -1.944 1.831) 2.714 48.133 ( -0.138 -8.459 -5.244) 9.953 49.785 ( -0.819 2.702 1.439) 3.169 49.818 ( 0.682 0.345 -1.535) 1.715 49.945 ( 0.553 -3.139 0.364) 3.208 49.963 ( 0.179 -4.740 -1.234) 4.901 52.513 ( -0.859 3.493 0.738) 3.672 52.528 ( 0.977 3.241 -0.575) 3.433 52.608 ( -1.592 -3.286 1.002) 3.786 52.623 ( 1.486 -3.668 -0.443) 3.982 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -29.887 13.798 -8.945) 34.112 3.011 ( -23.195 -3.027 6.425) 24.258 3.080 ( -26.230 7.247 6.652) 28.014 3.326 ( -17.777 -10.799 14.828) 25.544 3.645 ( 17.244 8.063 0.379) 19.039 3.731 ( 13.459 0.575 3.430) 13.901 3.981 ( 17.237 6.821 -6.219) 19.553 4.082 ( 12.073 -1.834 -2.111) 12.392 4.146 ( -3.340 13.498 1.176) 13.955 4.258 ( 0.137 16.702 -3.904) 17.153 4.380 ( -2.094 1.994 2.137) 3.595 4.389 ( -3.900 10.376 2.501) 11.363 4.492 ( -5.064 17.363 1.824) 18.178 4.558 ( 4.174 11.005 8.021) 14.243 4.641 ( -6.548 6.552 10.050) 13.668 4.673 ( 2.421 -0.807 2.421) 3.517 4.690 ( 5.854 -1.939 -5.451) 8.231 4.957 ( -2.779 -14.387 1.642) 14.744 5.054 ( -0.551 1.933 5.219) 5.593 5.136 ( 4.802 4.345 -6.451) 9.141 5.166 ( 2.233 -3.925 -5.574) 7.173 5.300 ( -2.511 -8.267 1.845) 8.834 5.378 ( 2.397 -5.475 -5.062) 7.833 5.407 ( 8.403 -5.505 -5.919) 11.659 5.463 ( -0.596 -4.250 -5.377) 6.879 5.558 ( -2.956 -7.088 -1.418) 7.810 5.824 ( 20.324 4.497 -1.726) 20.887 5.887 ( 23.567 -1.274 -3.223) 23.821 6.835 ( -0.038 -0.958 -5.854) 5.932 6.866 ( 1.016 -4.119 -1.161) 4.399 6.958 ( -0.752 -5.132 -0.166) 5.190 6.984 ( 0.758 -7.535 0.796) 7.615 7.314 ( -9.830 2.644 -11.598) 15.431 7.400 ( -7.364 -5.526 -10.413) 13.900 7.592 ( 2.808 0.550 8.413) 8.887 7.620 ( 2.260 -2.243 8.276) 8.867 7.903 ( -8.168 1.596 -0.761) 8.357 7.959 ( -6.261 -3.362 -1.633) 7.291 8.177 ( 6.562 1.120 2.782) 7.215 8.213 ( 7.306 -2.026 2.969) 8.142 8.485 ( -3.876 2.582 5.823) 7.456 8.519 ( -1.600 -0.555 1.632) 2.352 8.811 ( -1.449 0.850 2.239) 2.799 8.824 ( -0.773 -0.420 -0.917) 1.270 9.784 ( -4.589 2.105 2.617) 5.687 9.793 ( -4.174 1.298 2.264) 4.923 9.874 ( -1.994 4.357 -1.637) 5.064 9.936 ( 1.721 -1.420 -3.506) 4.156 12.896 ( -7.423 10.415 -9.523) 15.946 13.099 ( -0.857 -1.783 -2.961) 3.561 13.107 ( -1.829 -0.022 7.442) 7.664 13.242 ( 3.613 -5.468 7.132) 9.686 13.910 ( -5.410 12.939 -2.077) 14.177 14.046 ( 1.961 5.092 1.596) 5.685 14.422 ( -5.512 0.343 1.451) 5.710 14.598 ( 5.721 -10.755 3.190) 12.593 16.492 ( -1.196 4.286 -8.654) 9.731 16.645 ( -1.509 -8.142 -16.245) 18.234 16.727 ( 10.800 8.629 7.880) 15.913 16.929 ( 10.059 -7.826 8.531) 15.337 17.813 ( -4.402 0.389 -5.259) 6.870 17.834 ( -2.258 -1.745 -1.531) 3.239 17.901 ( -3.738 2.949 3.442) 5.875 18.005 ( -0.588 -5.695 4.035) 7.004 18.593 ( -2.399 3.713 -4.134) 6.052 18.677 ( -4.543 -1.654 0.752) 4.893 18.793 ( 6.538 -0.029 5.527) 8.561 18.870 ( 7.460 -4.748 2.069) 9.081 20.172 ( -3.626 6.290 -4.819) 8.714 20.287 ( 0.693 -1.344 -1.956) 2.472 20.432 ( 1.305 -1.093 1.804) 2.480 20.551 ( 5.940 -9.142 2.954) 11.296 21.410 ( -6.616 5.537 -5.106) 10.025 21.484 ( -3.565 -0.585 3.977) 5.372 21.684 ( -5.485 -5.873 -1.434) 8.162 21.741 ( 0.015 -9.201 0.384) 9.209 22.151 ( 1.515 10.124 1.743) 10.384 22.186 ( 1.138 9.461 -1.373) 9.627 22.417 ( -0.267 -10.638 -3.554) 11.219 22.468 ( 0.642 -12.110 3.523) 12.629 23.501 ( -3.229 13.317 2.490) 13.927 23.554 ( -0.499 8.947 1.348) 9.062 23.873 ( -2.164 7.173 0.914) 7.548 23.970 ( 3.826 -0.639 -4.091) 5.637 24.414 ( -3.597 2.592 1.420) 4.656 24.478 ( 0.415 -3.029 -2.888) 4.206 24.884 ( -3.385 5.988 0.768) 6.922 24.985 ( 1.863 -2.915 3.164) 4.688 25.738 ( -2.729 1.331 -0.228) 3.045 25.771 ( -1.213 -1.806 -0.608) 2.259 26.189 ( -0.301 -0.294 0.088) 0.430 26.216 ( 1.259 -3.083 -2.103) 3.938 26.763 ( -4.868 6.749 2.531) 8.698 26.844 ( -0.845 1.462 3.320) 3.725 27.039 ( 2.256 12.786 1.939) 13.127 27.062 ( 3.674 11.989 -6.921) 14.322 27.292 ( 3.394 -1.510 -1.781) 4.119 27.371 ( 3.442 -10.454 2.161) 11.216 27.421 ( 6.275 -9.353 -5.752) 12.647 27.482 ( 7.415 -7.561 8.110) 13.338 28.514 ( -3.156 4.147 -1.049) 5.316 28.566 ( -0.454 0.253 0.358) 0.631 28.954 ( -1.603 1.185 1.839) 2.712 29.008 ( 1.670 -2.880 -0.248) 3.338 29.270 ( -9.619 5.924 1.273) 11.369 29.437 ( -8.453 -8.265 0.774) 11.848 29.571 ( 6.614 1.968 4.227) 8.093 29.621 ( 2.571 -1.851 2.926) 4.313 29.785 ( -3.752 5.062 -2.726) 6.865 29.835 ( -3.026 0.654 -7.686) 8.286 30.212 ( -1.171 -2.406 -2.223) 3.478 30.262 ( -0.294 -5.673 2.266) 6.116 30.501 ( -0.800 4.800 -6.530) 8.144 30.537 ( -1.090 2.025 3.475) 4.167 30.602 ( -1.642 -2.871 -3.218) 4.615 30.687 ( 0.720 -7.822 3.605) 8.643 31.197 ( -1.956 5.294 -0.861) 5.709 31.209 ( -2.390 6.951 0.471) 7.366 31.379 ( -2.859 -5.757 0.563) 6.452 31.471 ( 1.691 -11.468 -0.689) 11.612 31.867 ( -7.559 5.512 8.484) 12.629 31.994 ( -7.462 -6.384 7.800) 12.542 32.120 ( 8.675 5.977 -6.747) 12.510 32.271 ( 9.785 -8.220 -7.755) 14.948 34.035 ( -3.647 7.590 -0.123) 8.421 34.167 ( 3.950 4.209 0.754) 5.821 34.225 ( -2.095 -7.787 0.234) 8.067 34.316 ( 3.048 -7.354 0.130) 7.961 39.226 ( -4.658 24.404 -0.540) 24.851 39.401 ( 5.889 16.742 2.082) 17.869 39.574 ( -2.898 1.884 -2.539) 4.289 39.667 ( 2.497 1.852 -0.296) 3.122 40.540 ( -2.215 0.463 -0.447) 2.307 40.595 ( 0.756 -3.229 0.289) 3.329 40.971 ( -2.595 3.499 0.805) 4.430 41.029 ( 0.722 -0.841 0.414) 1.183 41.794 ( -3.335 2.396 -0.494) 4.136 41.907 ( 0.863 -2.782 0.450) 2.947 41.977 ( 1.741 -6.598 1.099) 6.912 42.031 ( 3.041 -7.126 -1.131) 7.830 43.846 ( -3.250 1.163 0.507) 3.489 43.890 ( -1.373 0.903 -0.636) 1.762 43.949 ( 1.433 -7.473 0.736) 7.644 43.976 ( 2.469 -6.361 -0.301) 6.830 45.293 ( -3.282 11.453 -2.399) 12.153 45.410 ( -4.007 2.891 -1.277) 5.104 45.440 ( 2.942 11.575 3.415) 12.422 45.546 ( 0.103 3.910 2.189) 4.482 45.873 ( 4.976 9.698 0.731) 10.925 45.910 ( 7.295 4.678 -5.713) 10.380 46.132 ( -1.100 0.649 3.168) 3.416 46.267 ( 6.704 -7.817 -0.735) 10.324 47.072 ( -3.090 3.979 0.744) 5.092 47.156 ( 1.679 -1.296 -0.189) 2.129 47.291 ( -1.164 -3.187 -1.279) 3.626 47.363 ( 2.171 -7.379 -0.162) 7.694 47.714 ( 2.070 4.588 2.495) 5.618 47.820 ( 7.978 -3.947 -1.285) 8.993 48.068 ( 0.200 -4.354 -2.086) 4.832 48.112 ( 2.380 -7.606 2.225) 8.274 49.767 ( -4.020 2.012 1.523) 4.746 49.789 ( -2.090 0.981 -1.345) 2.672 49.912 ( -3.995 -3.010 -0.794) 5.065 49.943 ( -1.999 -4.714 -0.069) 5.121 52.486 ( -3.230 3.588 0.424) 4.846 52.525 ( -0.566 2.889 -0.593) 3.003 52.583 ( -2.953 -2.657 0.760) 4.044 52.628 ( 0.115 -3.995 -0.720) 4.061 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -26.391 17.434 2.957) 31.768 2.597 ( -20.283 -14.405 -0.490) 24.883 2.997 ( -23.463 16.904 30.470) 42.008 3.321 ( -16.049 -13.493 25.018) 32.643 3.855 ( 11.637 9.560 -5.624) 16.076 3.902 ( 8.235 6.750 -4.106) 11.413 4.073 ( -0.775 6.636 -3.515) 7.549 4.108 ( 6.464 10.721 -5.290) 13.591 4.147 ( -8.058 6.394 8.081) 13.081 4.250 ( 7.717 8.830 -3.947) 12.374 4.382 ( 2.860 11.871 -0.618) 12.227 4.417 ( 4.856 7.568 -3.782) 9.755 4.507 ( -3.219 13.214 7.352) 15.460 4.577 ( 0.563 5.113 -2.185) 5.589 4.670 ( 2.244 2.407 0.370) 3.312 4.758 ( 3.361 1.060 -1.270) 3.746 4.868 ( 7.431 -1.633 2.012) 7.869 4.934 ( -3.173 -9.404 4.710) 10.985 5.043 ( -1.391 5.034 2.239) 5.682 5.148 ( 6.441 0.035 -6.091) 8.865 5.226 ( 8.897 -2.849 -3.245) 9.890 5.277 ( 1.506 -7.229 2.484) 7.791 5.390 ( -0.201 -2.527 3.152) 4.045 5.415 ( -1.059 -2.735 -2.892) 4.119 5.432 ( 1.530 -12.280 -1.187) 12.432 5.543 ( 0.888 -11.975 1.488) 12.099 6.074 ( 15.356 7.259 -11.457) 20.488 6.148 ( 17.351 -0.114 -10.237) 20.146 6.738 ( 3.070 1.732 -8.638) 9.329 6.799 ( 1.438 -4.237 -9.554) 10.550 6.976 ( -0.545 -3.675 1.873) 4.161 7.008 ( -0.474 -5.855 2.108) 6.241 7.074 ( -3.679 -0.783 -5.459) 6.629 7.179 ( -4.719 -8.497 -7.480) 12.264 7.646 ( -4.643 0.035 2.198) 5.137 7.665 ( -5.181 -1.886 2.403) 6.015 7.817 ( -2.051 2.667 1.184) 3.567 7.886 ( -0.896 -3.482 0.535) 3.635 8.271 ( 4.019 1.029 -1.356) 4.365 8.306 ( 3.710 -2.060 -2.800) 5.084 8.498 ( -2.307 1.454 4.859) 5.573 8.514 ( -0.703 0.186 1.391) 1.569 8.826 ( -2.224 0.931 4.716) 5.296 8.850 ( -2.359 -0.955 6.805) 7.265 9.717 ( -4.159 3.021 -1.010) 5.239 9.735 ( -5.100 1.484 0.398) 5.326 9.845 ( -3.949 4.909 3.804) 7.360 9.925 ( 0.461 -2.383 -1.225) 2.719 12.714 ( -3.437 12.659 -5.138) 14.088 12.949 ( -2.858 -8.579 -6.177) 10.951 13.245 ( -2.793 7.242 11.952) 14.251 13.407 ( 0.928 -6.850 11.324) 13.267 13.804 ( -4.460 11.602 -2.697) 12.719 14.037 ( -2.375 -7.744 -2.850) 8.586 14.415 ( -3.419 13.821 7.900) 16.282 14.730 ( 4.265 -12.832 4.402) 14.221 16.350 ( 4.802 2.983 -17.275) 18.177 16.477 ( 8.424 -7.710 -17.836) 21.179 16.962 ( 6.219 8.134 5.188) 11.478 17.068 ( 1.300 1.177 -0.235) 1.770 17.669 ( -1.741 1.857 -6.118) 6.626 17.783 ( -0.477 -6.065 -0.895) 6.150 17.949 ( -2.559 -0.186 8.002) 8.403 18.015 ( -3.564 -7.707 4.150) 9.452 18.559 ( 0.475 2.845 -0.013) 2.885 18.644 ( -1.801 -4.155 3.670) 5.828 18.941 ( 3.038 3.782 5.429) 7.280 19.056 ( 6.097 -5.348 8.216) 11.545 20.073 ( -0.133 8.443 -5.768) 10.226 20.240 ( 0.250 -6.560 -4.339) 7.869 20.495 ( 2.836 4.715 -0.282) 5.509 20.647 ( 3.009 -8.788 -0.721) 9.317 21.231 ( -8.769 6.967 -3.228) 11.656 21.404 ( -8.594 -9.057 -0.416) 12.493 21.568 ( -5.081 4.012 -1.330) 6.609 21.740 ( 0.470 -10.685 -1.055) 10.747 22.153 ( 2.894 7.557 -4.389) 9.206 22.245 ( 1.985 5.561 4.524) 7.439 22.382 ( 1.845 -5.680 -3.631) 6.989 22.505 ( -3.504 -10.070 4.217) 11.466 23.500 ( -2.834 14.475 5.022) 15.581 23.580 ( -2.187 7.985 5.571) 9.979 23.856 ( -0.680 7.851 -0.190) 7.883 23.972 ( 2.526 -1.551 -3.735) 4.768 24.365 ( -2.973 4.398 0.027) 5.308 24.440 ( -0.982 -3.476 -1.881) 4.072 24.827 ( -2.702 6.981 -3.198) 8.140 24.975 ( -2.157 -5.617 -6.144) 8.600 25.740 ( -0.375 -0.096 4.394) 4.411 25.756 ( -1.629 -2.174 4.016) 4.848 26.163 ( -1.266 0.380 -2.747) 3.049 26.194 ( 0.269 -3.176 -2.980) 4.363 26.738 ( -3.539 8.018 4.524) 9.863 26.876 ( -3.717 -4.589 6.493) 8.777 27.058 ( 2.968 13.918 -2.292) 14.415 27.147 ( 12.063 11.521 0.312) 16.683 27.326 ( 3.834 -7.373 -3.152) 8.888 27.414 ( 9.289 -12.682 -4.424) 16.331 27.596 ( 7.208 1.190 8.973) 11.571 27.709 ( 6.355 -7.160 9.544) 13.519 28.464 ( -3.745 3.892 2.003) 5.760 28.548 ( -3.436 -3.237 1.949) 5.107 28.973 ( -0.331 3.502 2.669) 4.416 29.022 ( -0.176 0.531 0.489) 0.743 29.169 ( -6.560 3.118 1.870) 7.500 29.325 ( -7.531 -7.827 2.644) 11.179 29.531 ( -5.553 2.571 -11.531) 13.055 29.592 ( -6.057 -1.527 -14.327) 15.630 29.708 ( 2.728 2.491 3.448) 5.053 29.791 ( 0.289 -4.334 6.306) 7.657 30.164 ( 0.245 1.803 -3.357) 3.819 30.238 ( -0.561 -4.711 -5.213) 7.049 30.437 ( -0.101 2.566 -1.100) 2.793 30.478 ( -3.011 -1.421 -2.374) 4.089 30.619 ( -0.967 3.838 3.276) 5.138 30.738 ( -2.150 -6.734 4.616) 8.443 31.143 ( -2.578 5.337 -2.197) 6.321 31.170 ( -3.519 5.366 0.878) 6.477 31.339 ( -1.384 -2.972 -1.954) 3.817 31.452 ( -1.009 -10.677 -3.010) 11.139 31.888 ( -5.545 4.975 10.945) 13.240 32.005 ( -5.347 -6.085 9.620) 12.576 32.171 ( 8.198 5.886 -6.231) 11.861 32.316 ( 8.411 -7.641 -7.774) 13.768 34.002 ( -1.549 8.478 1.628) 8.771 34.202 ( -0.812 -10.114 1.720) 10.291 34.235 ( 2.945 4.638 -0.649) 5.533 34.356 ( 1.908 -6.725 -0.253) 6.996 39.170 ( -2.790 26.258 0.796) 26.418 39.482 ( -1.558 10.155 -5.529) 11.667 39.517 ( 4.001 4.426 3.117) 6.732 39.688 ( 1.453 1.857 -0.952) 2.543 40.510 ( -1.280 2.235 0.091) 2.577 40.593 ( -0.408 -2.981 -0.774) 3.107 40.936 ( -1.871 3.067 -0.691) 3.658 41.020 ( -0.697 -2.263 -1.943) 3.063 41.765 ( -1.762 2.783 2.317) 4.028 41.913 ( -2.047 -8.212 3.441) 9.136 42.023 ( 2.693 -3.203 -1.582) 4.474 42.076 ( 3.215 -6.464 0.151) 7.221 43.808 ( -2.703 4.442 0.981) 5.292 43.861 ( -1.029 3.535 -0.899) 3.789 43.980 ( 1.066 -9.449 0.944) 9.556 44.008 ( 2.022 -8.332 -0.247) 8.577 45.235 ( -0.926 9.855 -1.493) 10.010 45.332 ( -2.874 1.882 -1.024) 3.584 45.503 ( 0.066 9.387 -1.122) 9.454 45.540 ( -2.231 5.779 1.681) 6.419 45.926 ( 5.760 10.650 -4.660) 12.974 45.989 ( 6.924 11.473 -1.383) 13.471 46.219 ( 6.379 -4.748 3.938) 8.874 46.366 ( 6.565 -10.274 -0.190) 12.193 47.042 ( -2.416 6.175 1.275) 6.753 47.161 ( -0.088 1.756 -1.024) 2.035 47.272 ( 0.517 -7.422 -0.872) 7.491 47.374 ( 0.863 -10.455 -1.343) 10.576 47.819 ( 8.001 5.826 1.125) 9.962 47.935 ( 9.176 -5.489 -2.568) 10.997 48.059 ( 1.984 1.820 -0.705) 2.783 48.194 ( 1.468 -9.407 4.380) 10.480 49.705 ( -6.209 1.329 1.714) 6.577 49.726 ( -4.126 0.543 -0.787) 4.235 49.828 ( -5.310 -0.396 -0.317) 5.334 49.898 ( -3.784 -5.649 0.236) 6.803 52.434 ( -4.144 4.225 0.713) 5.961 52.497 ( -1.756 2.273 -0.842) 2.993 52.543 ( -3.141 -1.815 0.757) 3.706 52.611 ( -0.698 -4.309 -1.206) 4.529 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -1.622 16.941 24.820) 30.094 2.537 ( -0.336 -13.937 17.381) 22.281 3.078 ( -18.640 18.164 34.387) 43.126 3.432 ( -14.545 -15.148 29.989) 36.611 3.838 ( 0.692 11.539 -14.803) 18.782 3.885 ( 1.267 5.101 -11.117) 12.297 3.957 ( -2.067 12.226 -10.828) 16.462 4.087 ( 0.434 12.837 -8.142) 15.208 4.145 ( -3.791 -3.060 4.760) 6.811 4.288 ( -0.872 6.810 0.423) 6.878 4.347 ( -2.433 11.824 -3.605) 12.599 4.444 ( 3.476 -2.629 -4.461) 6.237 4.495 ( -2.594 19.636 5.838) 20.649 4.631 ( -0.604 9.421 5.443) 10.897 4.710 ( -2.491 0.115 1.606) 2.966 4.785 ( 13.023 1.182 -3.659) 13.579 4.914 ( -6.793 -3.759 5.226) 9.359 4.973 ( 10.239 -2.402 -4.707) 11.522 5.096 ( 0.845 2.374 3.110) 4.003 5.189 ( 3.125 -0.158 -0.584) 3.183 5.308 ( 3.279 -7.156 -1.791) 8.073 5.358 ( 3.716 0.785 -1.906) 4.250 5.370 ( 0.942 -0.749 0.041) 1.204 5.438 ( 0.274 -0.206 3.659) 3.676 5.451 ( 1.135 -15.053 1.685) 15.190 5.590 ( 2.659 -12.939 0.311) 13.213 5.910 ( 4.107 11.497 -31.667) 33.939 6.106 ( 6.223 -5.347 -23.223) 24.630 6.791 ( 7.805 0.679 -1.899) 8.062 6.818 ( 10.441 -0.820 0.247) 10.476 6.951 ( -0.480 -1.051 -0.749) 1.377 7.023 ( -0.456 -7.299 -2.709) 7.799 7.037 ( -1.062 -3.290 2.139) 4.066 7.100 ( -0.166 -8.628 1.256) 8.721 7.544 ( -7.807 -0.300 -2.285) 8.140 7.569 ( -6.930 -2.752 -2.303) 7.804 7.854 ( 0.496 4.044 6.373) 7.564 7.943 ( 2.363 -3.937 5.974) 7.535 8.257 ( 0.051 1.310 -5.444) 5.600 8.292 ( 2.935 -1.985 -5.584) 6.613 8.518 ( -1.966 1.744 3.336) 4.247 8.541 ( -1.208 -0.458 3.518) 3.748 8.855 ( -2.004 0.858 5.303) 5.733 8.887 ( -2.932 -1.747 5.608) 6.565 9.656 ( -2.571 3.283 -0.201) 4.174 9.667 ( -3.586 2.514 0.063) 4.380 9.842 ( -3.103 4.433 4.488) 7.030 9.919 ( 0.809 -2.483 -1.196) 2.873 12.672 ( 1.551 12.321 0.257) 12.421 12.865 ( -1.446 -4.303 -2.989) 5.435 13.334 ( -2.685 7.039 10.250) 12.721 13.519 ( -2.962 -8.701 8.807) 12.730 13.716 ( -2.158 7.487 -2.832) 8.291 13.927 ( -3.086 -11.367 -6.787) 13.594 14.486 ( -2.934 17.102 10.977) 20.532 14.805 ( 0.048 -12.149 1.735) 12.272 16.252 ( 9.835 6.282 -16.485) 20.198 16.409 ( 7.092 -6.970 -15.754) 18.629 17.004 ( 0.586 3.579 -0.885) 3.733 17.081 ( 0.231 0.845 0.260) 0.914 17.605 ( -0.246 6.034 -2.448) 6.516 17.748 ( -5.210 -3.112 0.329) 6.077 18.008 ( 1.573 -2.712 3.058) 4.380 18.038 ( -0.933 -7.901 4.598) 9.189 18.599 ( 2.164 4.450 4.352) 6.589 18.751 ( 5.829 -9.572 8.202) 13.888 18.994 ( -3.219 7.950 2.608) 8.965 19.193 ( -1.058 -9.822 5.747) 11.429 20.037 ( 4.564 9.837 -5.268) 12.056 20.208 ( 2.079 -4.770 -3.329) 6.177 20.452 ( -3.593 3.966 -6.567) 8.471 20.586 ( -4.403 -6.525 -6.582) 10.260 21.127 ( -2.565 5.507 2.370) 6.521 21.302 ( -4.035 -9.961 0.877) 10.783 21.516 ( -1.018 7.766 1.056) 7.903 21.723 ( -1.213 -10.698 -1.687) 10.898 22.175 ( 5.359 8.262 -1.485) 9.959 22.314 ( 0.335 3.125 2.540) 4.041 22.372 ( 2.699 -6.477 -3.193) 7.709 22.465 ( -6.571 -7.383 2.256) 10.138 23.539 ( -1.471 14.907 6.625) 16.379 23.614 ( -3.389 8.305 6.743) 11.222 23.847 ( 1.148 7.094 -1.916) 7.437 23.945 ( 1.027 -0.279 -5.345) 5.450 24.345 ( -1.165 4.865 2.388) 5.543 24.420 ( 0.078 -3.111 0.332) 3.129 24.718 ( -3.375 3.928 -6.498) 8.310 24.791 ( -6.051 -1.434 -10.798) 12.460 25.784 ( 0.539 1.250 4.735) 4.927 25.862 ( 2.022 -6.178 8.249) 10.502 26.091 ( -1.421 1.829 -5.075) 5.579 26.153 ( -0.255 -4.301 -3.678) 5.666 26.766 ( -2.096 8.995 6.785) 11.460 26.906 ( -1.703 -2.959 5.133) 6.165 27.071 ( 1.990 11.957 -1.109) 12.172 27.313 ( 1.878 -8.205 -4.828) 9.703 27.429 ( 16.596 1.723 5.877) 17.690 27.549 ( 11.686 -8.426 -0.748) 14.426 27.782 ( 1.844 1.248 7.756) 8.070 27.868 ( 0.301 -5.462 6.769) 8.703 28.465 ( -1.794 2.024 5.771) 6.374 28.523 ( -4.004 -3.326 4.369) 6.795 28.976 ( -0.988 3.385 -1.930) 4.020 29.024 ( -1.767 4.718 2.416) 5.587 29.078 ( -6.520 2.190 -3.709) 7.815 29.249 ( -5.955 -3.316 1.142) 6.911 29.306 ( -5.613 -1.521 -13.311) 14.526 29.363 ( -4.046 -5.893 0.487) 7.165 29.791 ( 3.978 2.861 2.036) 5.306 29.881 ( 1.034 -4.844 6.223) 7.954 30.100 ( -1.522 3.167 -8.540) 9.235 30.163 ( 3.903 -2.019 -7.915) 9.053 30.434 ( -0.153 2.062 0.577) 2.146 30.487 ( 3.287 -2.619 3.958) 5.774 30.604 ( -4.283 5.303 0.836) 6.867 30.725 ( -4.576 -5.879 1.502) 7.600 31.079 ( -1.395 5.288 -2.353) 5.954 31.124 ( -2.480 3.766 -0.858) 4.590 31.290 ( -1.102 -2.358 -2.438) 3.566 31.382 ( -2.498 -8.152 -3.453) 9.199 31.952 ( -4.556 3.885 11.126) 12.635 32.054 ( -4.615 -5.692 10.073) 12.456 32.209 ( 6.658 4.708 -6.305) 10.308 32.334 ( 7.004 -6.784 -8.442) 12.898 34.030 ( 0.415 8.166 3.975) 9.092 34.217 ( -0.142 -6.254 0.980) 6.332 34.257 ( 1.118 0.461 -0.292) 1.244 34.365 ( 0.632 -6.692 -1.408) 6.868 39.161 ( -1.015 25.187 2.425) 25.324 39.381 ( -2.043 10.087 -5.506) 11.672 39.608 ( 3.473 4.283 1.746) 5.784 39.694 ( 1.017 2.228 -0.999) 2.645 40.505 ( -0.295 2.723 0.904) 2.884 40.571 ( -0.660 -1.128 -1.117) 1.719 40.901 ( -1.087 0.899 -1.023) 1.743 40.968 ( -1.495 -2.686 -3.237) 4.464 41.792 ( -0.698 1.752 4.660) 5.028 41.940 ( -1.209 -9.931 4.788) 11.091 42.016 ( 1.085 -0.418 -3.901) 4.071 42.105 ( 1.396 -7.535 -1.582) 7.825 43.790 ( -1.720 6.795 1.483) 7.165 43.839 ( -0.132 5.776 -1.192) 5.899 44.003 ( 0.232 -10.729 1.260) 10.805 44.030 ( 1.361 -9.827 -0.376) 9.928 45.230 ( 1.048 8.468 0.382) 8.541 45.304 ( -0.521 2.363 0.692) 2.517 45.436 ( -3.088 8.046 -3.547) 9.320 45.504 ( -2.520 2.379 -2.801) 4.456 45.968 ( 4.926 18.011 -1.939) 18.773 46.044 ( 2.614 18.373 -1.394) 18.610 46.375 ( 7.568 -14.054 1.822) 16.066 46.447 ( 3.599 -13.115 0.046) 13.600 47.032 ( -1.459 7.357 1.938) 7.746 47.137 ( -0.075 5.275 -2.359) 5.779 47.276 ( -0.244 -11.565 1.025) 11.613 47.366 ( 1.106 -11.162 -2.462) 11.484 47.956 ( 7.726 3.379 0.232) 8.436 48.014 ( 6.419 -2.786 -3.364) 7.764 48.118 ( 3.881 2.345 1.392) 4.743 48.230 ( -2.996 -6.759 2.485) 7.799 49.640 ( -5.109 1.204 2.552) 5.836 49.665 ( -2.419 -0.155 0.110) 2.427 49.764 ( -2.833 0.346 0.580) 2.912 49.840 ( -3.676 -5.653 -0.025) 6.743 52.390 ( -3.011 5.142 1.499) 6.145 52.459 ( -1.313 3.090 -1.343) 3.616 52.514 ( -2.095 -2.474 1.259) 3.478 52.582 ( -0.574 -4.569 -1.713) 4.913 =================== 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 3/47040 10.0 1494.908 792.451 934.308 0.000 184.731 0.000 3/47040 20.0 435.771 292.794 391.763 0.000 -3.584 0.000 3/47040 30.0 164.735 139.197 182.146 0.000 -13.200 0.000 3/47040 40.0 86.462 80.522 102.796 0.000 -8.461 0.000 3/47040 50.0 54.898 53.657 67.611 0.000 -5.923 0.000 3/47040 60.0 39.065 39.156 48.992 0.000 -4.585 0.000 3/47040 70.0 29.924 30.398 37.897 0.000 -3.775 0.000 3/47040 80.0 24.103 24.662 30.701 0.000 -3.225 0.000 3/47040 90.0 20.118 20.667 25.719 0.000 -2.819 0.000 3/47040 100.0 17.235 17.744 22.089 0.000 -2.503 0.000 3/47040 110.0 15.057 15.522 19.334 0.000 -2.248 0.000 3/47040 120.0 13.354 13.777 17.173 0.000 -2.036 0.000 3/47040 130.0 11.986 12.372 15.433 0.000 -1.858 0.000 3/47040 140.0 10.863 11.217 14.000 0.000 -1.704 0.000 3/47040 150.0 9.922 10.249 12.799 0.000 -1.571 0.000 3/47040 160.0 9.123 9.427 11.777 0.000 -1.455 0.000 3/47040 170.0 8.435 8.720 10.897 0.000 -1.352 0.000 3/47040 180.0 7.837 8.105 10.130 0.000 -1.260 0.000 3/47040 190.0 7.312 7.565 9.456 0.000 -1.178 0.000 3/47040 200.0 6.847 7.088 8.859 0.000 -1.104 0.000 3/47040 210.0 6.433 6.664 8.327 0.000 -1.038 0.000 3/47040 220.0 6.063 6.284 7.850 0.000 -0.978 0.000 3/47040 230.0 5.729 5.941 7.420 0.000 -0.923 0.000 3/47040 240.0 5.426 5.632 7.031 0.000 -0.873 0.000 3/47040 250.0 5.152 5.351 6.677 0.000 -0.828 0.000 3/47040 260.0 4.901 5.095 6.355 0.000 -0.786 0.000 3/47040 270.0 4.672 4.860 6.059 0.000 -0.748 0.000 3/47040 280.0 4.462 4.645 5.788 0.000 -0.713 0.000 3/47040 290.0 4.268 4.447 5.538 0.000 -0.680 0.000 3/47040 300.0 4.090 4.264 5.307 0.000 -0.650 0.000 3/47040 310.0 3.924 4.095 5.094 0.000 -0.623 0.000 3/47040 320.0 3.771 3.938 4.896 0.000 -0.597 0.000 3/47040 330.0 3.628 3.793 4.711 0.000 -0.573 0.000 3/47040 340.0 3.495 3.657 4.540 0.000 -0.551 0.000 3/47040 350.0 3.371 3.530 4.379 0.000 -0.530 0.000 3/47040 360.0 3.255 3.411 4.229 0.000 -0.511 0.000 3/47040 370.0 3.146 3.300 4.089 0.000 -0.493 0.000 3/47040 380.0 3.044 3.195 3.957 0.000 -0.476 0.000 3/47040 390.0 2.949 3.097 3.833 0.000 -0.460 0.000 3/47040 400.0 2.858 3.005 3.716 0.000 -0.445 0.000 3/47040 410.0 2.773 2.917 3.606 0.000 -0.431 0.000 3/47040 420.0 2.693 2.835 3.502 0.000 -0.418 0.000 3/47040 430.0 2.617 2.757 3.404 0.000 -0.405 0.000 3/47040 440.0 2.545 2.683 3.311 0.000 -0.393 0.000 3/47040 450.0 2.477 2.613 3.222 0.000 -0.382 0.000 3/47040 460.0 2.412 2.547 3.139 0.000 -0.372 0.000 3/47040 470.0 2.351 2.484 3.059 0.000 -0.361 0.000 3/47040 480.0 2.292 2.423 2.983 0.000 -0.352 0.000 3/47040 490.0 2.237 2.366 2.911 0.000 -0.343 0.000 3/47040 500.0 2.184 2.311 2.842 0.000 -0.334 0.000 3/47040 510.0 2.133 2.259 2.777 0.000 -0.326 0.000 3/47040 520.0 2.085 2.209 2.714 0.000 -0.318 0.000 3/47040 530.0 2.038 2.162 2.654 0.000 -0.311 0.000 3/47040 540.0 1.994 2.116 2.597 0.000 -0.304 0.000 3/47040 550.0 1.952 2.072 2.542 0.000 -0.297 0.000 3/47040 560.0 1.911 2.030 2.489 0.000 -0.291 0.000 3/47040 570.0 1.872 1.990 2.438 0.000 -0.284 0.000 3/47040 580.0 1.835 1.951 2.390 0.000 -0.278 0.000 3/47040 590.0 1.799 1.914 2.343 0.000 -0.273 0.000 3/47040 600.0 1.764 1.878 2.298 0.000 -0.267 0.000 3/47040 610.0 1.731 1.843 2.255 0.000 -0.262 0.000 3/47040 620.0 1.699 1.810 2.214 0.000 -0.257 0.000 3/47040 630.0 1.668 1.778 2.174 0.000 -0.252 0.000 3/47040 640.0 1.639 1.747 2.135 0.000 -0.247 0.000 3/47040 650.0 1.610 1.717 2.098 0.000 -0.243 0.000 3/47040 660.0 1.582 1.689 2.062 0.000 -0.238 0.000 3/47040 670.0 1.556 1.661 2.027 0.000 -0.234 0.000 3/47040 680.0 1.530 1.634 1.993 0.000 -0.230 0.000 3/47040 690.0 1.505 1.608 1.961 0.000 -0.226 0.000 3/47040 700.0 1.481 1.583 1.929 0.000 -0.223 0.000 3/47040 710.0 1.457 1.558 1.899 0.000 -0.219 0.000 3/47040 720.0 1.435 1.534 1.870 0.000 -0.215 0.000 3/47040 730.0 1.413 1.512 1.841 0.000 -0.212 0.000 3/47040 740.0 1.391 1.489 1.813 0.000 -0.209 0.000 3/47040 750.0 1.371 1.468 1.786 0.000 -0.205 0.000 3/47040 760.0 1.351 1.447 1.760 0.000 -0.202 0.000 3/47040 770.0 1.331 1.426 1.735 0.000 -0.199 0.000 3/47040 780.0 1.312 1.407 1.711 0.000 -0.196 0.000 3/47040 790.0 1.294 1.387 1.687 0.000 -0.194 0.000 3/47040 800.0 1.276 1.369 1.664 0.000 -0.191 0.000 3/47040 810.0 1.259 1.350 1.641 0.000 -0.188 0.000 3/47040 820.0 1.242 1.333 1.619 0.000 -0.186 0.000 3/47040 830.0 1.226 1.315 1.598 0.000 -0.183 0.000 3/47040 840.0 1.210 1.299 1.577 0.000 -0.181 0.000 3/47040 850.0 1.194 1.282 1.557 0.000 -0.178 0.000 3/47040 860.0 1.179 1.266 1.537 0.000 -0.176 0.000 3/47040 870.0 1.164 1.251 1.518 0.000 -0.174 0.000 3/47040 880.0 1.150 1.236 1.499 0.000 -0.171 0.000 3/47040 890.0 1.136 1.221 1.481 0.000 -0.169 0.000 3/47040 900.0 1.122 1.206 1.463 0.000 -0.167 0.000 3/47040 910.0 1.109 1.192 1.445 0.000 -0.165 0.000 3/47040 920.0 1.096 1.178 1.428 0.000 -0.163 0.000 3/47040 930.0 1.083 1.165 1.412 0.000 -0.161 0.000 3/47040 940.0 1.070 1.152 1.396 0.000 -0.159 0.000 3/47040 950.0 1.058 1.139 1.380 0.000 -0.157 0.000 3/47040 960.0 1.046 1.126 1.364 0.000 -0.156 0.000 3/47040 970.0 1.035 1.114 1.349 0.000 -0.154 0.000 3/47040 980.0 1.024 1.102 1.335 0.000 -0.152 0.000 3/47040 990.0 1.012 1.090 1.320 0.000 -0.150 0.000 3/47040 1000.0 1.002 1.079 1.306 0.000 -0.149 0.000 3/47040 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 05:36:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|