----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:19:49]------------------------- 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: [2 1 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 9.023266912955464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): *1 Ga 0.99571617128559 0.05937599123060 0.25821160899761 69.723 2 Ga 0.00428382871441 0.55937599123060 0.24178839100239 69.723 3 Ga 0.99571617128559 0.44062400876940 0.75821160899761 69.723 *4 Ga 0.14296615557793 0.21483078876536 0.75546046289566 69.723 5 Ga 0.85703384442207 0.71483078876536 0.74453953710434 69.723 6 Ga 0.85703384442207 0.78516921123464 0.24453953710434 69.723 7 Ga 0.14296615557793 0.28516921123464 0.25546046289566 69.723 8 Ga 0.00428382871441 0.94062400876940 0.74178839100239 69.723 *9 As 0.20717878360004 0.44611908315306 0.25724210437500 74.922 *10 As 0.62799756209134 0.81013288171759 0.71479957185012 74.922 11 As 0.62799756209134 0.68986711828241 0.21479957185012 74.922 12 As 0.37200243790866 0.31013288171759 0.78520042814988 74.922 *13 As 0.89018713236832 0.28595149670449 0.72809042767080 74.922 14 As 0.10981286763168 0.78595149670449 0.77190957232920 74.922 15 As 0.10981286763168 0.71404850329551 0.27190957232920 74.922 16 As 0.89018713236832 0.21404850329551 0.22809042767080 74.922 17 As 0.79282121639996 0.94611908315306 0.24275789562500 74.922 18 As 0.79282121639996 0.55388091684694 0.74275789562500 74.922 19 As 0.20717878360004 0.05388091684694 0.75724210437500 74.922 *20 As 0.26887550539452 0.03417050644821 0.28015432407891 74.922 21 As 0.26887550539452 0.46582949355179 0.78015432407891 74.922 22 As 0.73112449460548 0.96582949355179 0.71984567592109 74.922 23 As 0.37200243790866 0.18986711828241 0.28520042814988 74.922 24 As 0.73112449460548 0.53417050644821 0.21984567592109 74.922 *25 Rb 0.50672914057797 0.38284290739506 0.56700483573408 85.468 26 Rb 0.49327085942203 0.88284290739506 0.93299516426592 85.468 27 Rb 0.49327085942203 0.61715709260494 0.43299516426592 85.468 28 Rb 0.50672914057797 0.11715709260494 0.06700483573408 85.468 *29 Rb 0.79148558590193 0.38768124728480 0.97472713311406 85.468 30 Rb 0.20851441409807 0.88768124728480 0.52527286688594 85.468 31 Rb 0.20851441409807 0.61231875271520 0.02527286688594 85.468 32 Rb 0.79148558590193 0.11231875271521 0.47472713311406 85.468 *33 Rb 0.41479384152580 0.13307126604533 0.59401885665461 85.468 34 Rb 0.58520615847420 0.63307126604533 0.90598114334539 85.468 35 Rb 0.58520615847420 0.86692873395467 0.40598114334539 85.468 36 Rb 0.41479384152580 0.36692873395467 0.09401885665461 85.468 *37 Rb 0.98668817950927 0.12832255266386 0.96578234346920 85.468 38 Rb 0.01331182049073 0.62832255266387 0.53421765653080 85.468 39 Rb 0.01331182049073 0.87167744733613 0.03421765653080 85.468 40 Rb 0.98668817950927 0.37167744733614 0.46578234346920 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.023266912955464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): *1 Ga 0.99571617128559 0.05937599123060 0.25821160899761 69.723 > 1 2 Ga 0.00428382871441 0.55937599123060 0.24178839100239 69.723 > 2 3 Ga 0.99571617128559 0.44062400876940 0.75821160899761 69.723 > 3 *4 Ga 0.14296615557793 0.21483078876536 0.75546046289566 69.723 > 4 5 Ga 0.85703384442207 0.71483078876536 0.74453953710434 69.723 > 5 6 Ga 0.85703384442207 0.78516921123464 0.24453953710434 69.723 > 6 7 Ga 0.14296615557793 0.28516921123464 0.25546046289566 69.723 > 7 8 Ga 0.00428382871441 0.94062400876940 0.74178839100239 69.723 > 8 *9 As 0.20717878360004 0.44611908315306 0.25724210437500 74.922 > 9 *10 As 0.62799756209134 0.81013288171759 0.71479957185012 74.922 > 10 11 As 0.62799756209134 0.68986711828241 0.21479957185012 74.922 > 11 12 As 0.37200243790866 0.31013288171759 0.78520042814988 74.922 > 12 *13 As 0.89018713236832 0.28595149670449 0.72809042767080 74.922 > 13 14 As 0.10981286763168 0.78595149670449 0.77190957232920 74.922 > 14 15 As 0.10981286763168 0.71404850329551 0.27190957232920 74.922 > 15 16 As 0.89018713236832 0.21404850329551 0.22809042767080 74.922 > 16 17 As 0.79282121639996 0.94611908315306 0.24275789562500 74.922 > 17 18 As 0.79282121639996 0.55388091684694 0.74275789562500 74.922 > 18 19 As 0.20717878360004 0.05388091684694 0.75724210437500 74.922 > 19 *20 As 0.26887550539452 0.03417050644821 0.28015432407891 74.922 > 20 21 As 0.26887550539452 0.46582949355179 0.78015432407891 74.922 > 21 22 As 0.73112449460548 0.96582949355179 0.71984567592109 74.922 > 22 23 As 0.37200243790866 0.18986711828241 0.28520042814988 74.922 > 23 24 As 0.73112449460548 0.53417050644821 0.21984567592109 74.922 > 24 *25 Rb 0.50672914057797 0.38284290739506 0.56700483573408 85.468 > 25 26 Rb 0.49327085942203 0.88284290739506 0.93299516426592 85.468 > 26 27 Rb 0.49327085942203 0.61715709260494 0.43299516426592 85.468 > 27 28 Rb 0.50672914057797 0.11715709260494 0.06700483573408 85.468 > 28 *29 Rb 0.79148558590193 0.38768124728480 0.97472713311406 85.468 > 29 30 Rb 0.20851441409807 0.88768124728480 0.52527286688594 85.468 > 30 31 Rb 0.20851441409807 0.61231875271520 0.02527286688594 85.468 > 31 32 Rb 0.79148558590193 0.11231875271521 0.47472713311406 85.468 > 32 *33 Rb 0.41479384152580 0.13307126604533 0.59401885665461 85.468 > 33 34 Rb 0.58520615847420 0.63307126604533 0.90598114334539 85.468 > 34 35 Rb 0.58520615847420 0.86692873395467 0.40598114334539 85.468 > 35 36 Rb 0.41479384152580 0.36692873395467 0.09401885665461 85.468 > 36 *37 Rb 0.98668817950927 0.12832255266386 0.96578234346920 85.468 > 37 38 Rb 0.01331182049073 0.62832255266387 0.53421765653080 85.468 > 38 39 Rb 0.01331182049073 0.87167744733613 0.03421765653080 85.468 > 39 40 Rb 0.98668817950927 0.37167744733614 0.46578234346920 85.468 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.046533825910927 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): *1 Ga 0.49785808564280 0.05937599123060 0.25821160899761 69.723 > 1 2 Ga 0.99785808564280 0.05937599123060 0.25821160899761 69.723 > 1 3 Ga 0.00214191435720 0.55937599123060 0.24178839100239 69.723 > 2 4 Ga 0.50214191435720 0.55937599123060 0.24178839100239 69.723 > 2 5 Ga 0.49785808564280 0.44062400876940 0.75821160899761 69.723 > 3 6 Ga 0.99785808564280 0.44062400876940 0.75821160899761 69.723 > 3 *7 Ga 0.07148307778896 0.21483078876536 0.75546046289566 69.723 > 4 8 Ga 0.57148307778896 0.21483078876536 0.75546046289566 69.723 > 4 9 Ga 0.42851692221104 0.71483078876536 0.74453953710434 69.723 > 5 10 Ga 0.92851692221104 0.71483078876536 0.74453953710434 69.723 > 5 11 Ga 0.42851692221104 0.78516921123464 0.24453953710434 69.723 > 6 12 Ga 0.92851692221104 0.78516921123464 0.24453953710434 69.723 > 6 13 Ga 0.07148307778896 0.28516921123464 0.25546046289566 69.723 > 7 14 Ga 0.57148307778896 0.28516921123464 0.25546046289566 69.723 > 7 15 Ga 0.00214191435720 0.94062400876940 0.74178839100239 69.723 > 8 16 Ga 0.50214191435720 0.94062400876940 0.74178839100239 69.723 > 8 *17 As 0.10358939180002 0.44611908315306 0.25724210437500 74.922 > 9 18 As 0.60358939180002 0.44611908315306 0.25724210437500 74.922 > 9 *19 As 0.31399878104567 0.81013288171759 0.71479957185012 74.922 > 10 20 As 0.81399878104567 0.81013288171759 0.71479957185012 74.922 > 10 21 As 0.31399878104567 0.68986711828241 0.21479957185012 74.922 > 11 22 As 0.81399878104567 0.68986711828241 0.21479957185012 74.922 > 11 23 As 0.18600121895433 0.31013288171759 0.78520042814988 74.922 > 12 24 As 0.68600121895433 0.31013288171759 0.78520042814988 74.922 > 12 *25 As 0.44509356618416 0.28595149670449 0.72809042767080 74.922 > 13 26 As 0.94509356618416 0.28595149670449 0.72809042767080 74.922 > 13 27 As 0.05490643381584 0.78595149670449 0.77190957232920 74.922 > 14 28 As 0.55490643381584 0.78595149670449 0.77190957232920 74.922 > 14 29 As 0.05490643381584 0.71404850329551 0.27190957232920 74.922 > 15 30 As 0.55490643381584 0.71404850329551 0.27190957232920 74.922 > 15 31 As 0.44509356618416 0.21404850329551 0.22809042767080 74.922 > 16 32 As 0.94509356618416 0.21404850329551 0.22809042767080 74.922 > 16 33 As 0.39641060819998 0.94611908315306 0.24275789562500 74.922 > 17 34 As 0.89641060819998 0.94611908315306 0.24275789562500 74.922 > 17 35 As 0.39641060819998 0.55388091684694 0.74275789562500 74.922 > 18 36 As 0.89641060819998 0.55388091684694 0.74275789562500 74.922 > 18 37 As 0.10358939180002 0.05388091684694 0.75724210437500 74.922 > 19 38 As 0.60358939180002 0.05388091684694 0.75724210437500 74.922 > 19 *39 As 0.13443775269726 0.03417050644821 0.28015432407891 74.922 > 20 40 As 0.63443775269726 0.03417050644821 0.28015432407891 74.922 > 20 41 As 0.13443775269726 0.46582949355179 0.78015432407891 74.922 > 21 42 As 0.63443775269726 0.46582949355179 0.78015432407891 74.922 > 21 43 As 0.36556224730274 0.96582949355179 0.71984567592109 74.922 > 22 44 As 0.86556224730274 0.96582949355179 0.71984567592109 74.922 > 22 45 As 0.18600121895433 0.18986711828241 0.28520042814988 74.922 > 23 46 As 0.68600121895433 0.18986711828241 0.28520042814988 74.922 > 23 47 As 0.36556224730274 0.53417050644821 0.21984567592109 74.922 > 24 48 As 0.86556224730274 0.53417050644821 0.21984567592109 74.922 > 24 *49 Rb 0.25336457028898 0.38284290739506 0.56700483573408 85.468 > 25 50 Rb 0.75336457028898 0.38284290739506 0.56700483573408 85.468 > 25 51 Rb 0.24663542971102 0.88284290739506 0.93299516426592 85.468 > 26 52 Rb 0.74663542971102 0.88284290739506 0.93299516426592 85.468 > 26 53 Rb 0.24663542971102 0.61715709260494 0.43299516426592 85.468 > 27 54 Rb 0.74663542971102 0.61715709260494 0.43299516426592 85.468 > 27 55 Rb 0.25336457028898 0.11715709260494 0.06700483573408 85.468 > 28 56 Rb 0.75336457028898 0.11715709260494 0.06700483573408 85.468 > 28 *57 Rb 0.39574279295096 0.38768124728480 0.97472713311406 85.468 > 29 58 Rb 0.89574279295096 0.38768124728480 0.97472713311406 85.468 > 29 59 Rb 0.10425720704904 0.88768124728480 0.52527286688594 85.468 > 30 60 Rb 0.60425720704904 0.88768124728480 0.52527286688594 85.468 > 30 61 Rb 0.10425720704904 0.61231875271520 0.02527286688594 85.468 > 31 62 Rb 0.60425720704904 0.61231875271520 0.02527286688594 85.468 > 31 63 Rb 0.39574279295096 0.11231875271521 0.47472713311406 85.468 > 32 64 Rb 0.89574279295096 0.11231875271521 0.47472713311406 85.468 > 32 *65 Rb 0.20739692076290 0.13307126604533 0.59401885665461 85.468 > 33 66 Rb 0.70739692076290 0.13307126604533 0.59401885665461 85.468 > 33 67 Rb 0.29260307923710 0.63307126604533 0.90598114334539 85.468 > 34 68 Rb 0.79260307923710 0.63307126604533 0.90598114334539 85.468 > 34 69 Rb 0.29260307923710 0.86692873395467 0.40598114334539 85.468 > 35 70 Rb 0.79260307923710 0.86692873395467 0.40598114334539 85.468 > 35 71 Rb 0.20739692076290 0.36692873395467 0.09401885665461 85.468 > 36 72 Rb 0.70739692076290 0.36692873395467 0.09401885665461 85.468 > 36 *73 Rb 0.49334408975464 0.12832255266386 0.96578234346920 85.468 > 37 74 Rb 0.99334408975464 0.12832255266386 0.96578234346920 85.468 > 37 75 Rb 0.00665591024536 0.62832255266387 0.53421765653080 85.468 > 38 76 Rb 0.50665591024536 0.62832255266387 0.53421765653080 85.468 > 38 77 Rb 0.00665591024536 0.87167744733613 0.03421765653080 85.468 > 39 78 Rb 0.50665591024536 0.87167744733613 0.03421765653080 85.468 > 39 79 Rb 0.49334408975464 0.37167744733614 0.46578234346920 85.468 > 40 80 Rb 0.99334408975464 0.37167744733614 0.46578234346920 85.468 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1125640 0.0000000 0.1497699 0.0000000 8.3811942 0.0000000 0.1497739 0.0000000 4.3586577 -------------------------- Born effective charges -------------------------- 1 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 2 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 3 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 4 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 5 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 6 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 7 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 8 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 9 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 10 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 11 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 12 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 13 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 14 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 15 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 16 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 17 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 18 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 19 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 20 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 21 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 22 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 23 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 24 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 25 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 26 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 27 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 28 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 29 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 30 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 31 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 32 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 33 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 34 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 35 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 36 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 37 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 38 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 39 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 40 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.929 Solver_block: 200 / 1200 - Time: 1.042 Solver_block: 300 / 1200 - Time: 1.275 Solver_block: 400 / 1200 - Time: 0.941 Solver_block: 500 / 1200 - Time: 1.101 Solver_block: 600 / 1200 - Time: 1.462 Solver_block: 700 / 1200 - Time: 0.697 Solver_block: 800 / 1200 - Time: 1.461 Solver_block: 900 / 1200 - Time: 1.322 Solver_block: 1000 / 1200 - Time: 0.764 Solver_block: 1100 / 1200 - Time: 0.746 Solver_block: 1200 / 1200 - Time: 1.470 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.034 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 14), data: (800, 34) @ (34, 14) |-- (300, 286), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:21:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:21:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.023266912955464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): 1 Ga 0.99571617128559 0.05937599123060 0.25821160899761 69.723 2 Ga 0.00428382871441 0.55937599123060 0.24178839100239 69.723 3 Ga 0.99571617128559 0.44062400876940 0.75821160899761 69.723 4 Ga 0.14296615557793 0.21483078876536 0.75546046289566 69.723 5 Ga 0.85703384442207 0.71483078876536 0.74453953710434 69.723 6 Ga 0.85703384442207 0.78516921123464 0.24453953710434 69.723 7 Ga 0.14296615557793 0.28516921123464 0.25546046289566 69.723 8 Ga 0.00428382871441 0.94062400876940 0.74178839100239 69.723 9 As 0.20717878360004 0.44611908315306 0.25724210437500 74.922 10 As 0.62799756209134 0.81013288171759 0.71479957185012 74.922 11 As 0.62799756209134 0.68986711828241 0.21479957185012 74.922 12 As 0.37200243790866 0.31013288171759 0.78520042814988 74.922 13 As 0.89018713236832 0.28595149670449 0.72809042767080 74.922 14 As 0.10981286763168 0.78595149670449 0.77190957232920 74.922 15 As 0.10981286763168 0.71404850329551 0.27190957232920 74.922 16 As 0.89018713236832 0.21404850329551 0.22809042767080 74.922 17 As 0.79282121639996 0.94611908315306 0.24275789562500 74.922 18 As 0.79282121639996 0.55388091684694 0.74275789562500 74.922 19 As 0.20717878360004 0.05388091684694 0.75724210437500 74.922 20 As 0.26887550539452 0.03417050644821 0.28015432407891 74.922 21 As 0.26887550539452 0.46582949355179 0.78015432407891 74.922 22 As 0.73112449460548 0.96582949355179 0.71984567592109 74.922 23 As 0.37200243790866 0.18986711828241 0.28520042814988 74.922 24 As 0.73112449460548 0.53417050644821 0.21984567592109 74.922 25 Rb 0.50672914057797 0.38284290739506 0.56700483573408 85.468 26 Rb 0.49327085942203 0.88284290739506 0.93299516426592 85.468 27 Rb 0.49327085942203 0.61715709260494 0.43299516426592 85.468 28 Rb 0.50672914057797 0.11715709260494 0.06700483573408 85.468 29 Rb 0.79148558590193 0.38768124728480 0.97472713311406 85.468 30 Rb 0.20851441409807 0.88768124728480 0.52527286688594 85.468 31 Rb 0.20851441409807 0.61231875271520 0.02527286688594 85.468 32 Rb 0.79148558590193 0.11231875271521 0.47472713311406 85.468 33 Rb 0.41479384152580 0.13307126604533 0.59401885665461 85.468 34 Rb 0.58520615847420 0.63307126604533 0.90598114334539 85.468 35 Rb 0.58520615847420 0.86692873395467 0.40598114334539 85.468 36 Rb 0.41479384152580 0.36692873395467 0.09401885665461 85.468 37 Rb 0.98668817950927 0.12832255266386 0.96578234346920 85.468 38 Rb 0.01331182049073 0.62832255266387 0.53421765653080 85.468 39 Rb 0.01331182049073 0.87167744733613 0.03421765653080 85.468 40 Rb 0.98668817950927 0.37167744733614 0.46578234346920 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.046533825910927 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): 1 Ga 0.49785808564280 0.05937599123060 0.25821160899761 69.723 > 1 2 Ga 0.99785808564280 0.05937599123060 0.25821160899761 69.723 > 1 3 Ga 0.00214191435720 0.55937599123060 0.24178839100239 69.723 > 3 4 Ga 0.50214191435720 0.55937599123060 0.24178839100239 69.723 > 3 5 Ga 0.49785808564280 0.44062400876940 0.75821160899761 69.723 > 5 6 Ga 0.99785808564280 0.44062400876940 0.75821160899761 69.723 > 5 7 Ga 0.07148307778896 0.21483078876536 0.75546046289566 69.723 > 7 8 Ga 0.57148307778896 0.21483078876536 0.75546046289566 69.723 > 7 9 Ga 0.42851692221104 0.71483078876536 0.74453953710434 69.723 > 9 10 Ga 0.92851692221104 0.71483078876536 0.74453953710434 69.723 > 9 11 Ga 0.42851692221104 0.78516921123464 0.24453953710434 69.723 > 11 12 Ga 0.92851692221104 0.78516921123464 0.24453953710434 69.723 > 11 13 Ga 0.07148307778896 0.28516921123464 0.25546046289566 69.723 > 13 14 Ga 0.57148307778896 0.28516921123464 0.25546046289566 69.723 > 13 15 Ga 0.00214191435720 0.94062400876940 0.74178839100239 69.723 > 15 16 Ga 0.50214191435720 0.94062400876940 0.74178839100239 69.723 > 15 17 As 0.10358939180002 0.44611908315306 0.25724210437500 74.922 > 17 18 As 0.60358939180002 0.44611908315306 0.25724210437500 74.922 > 17 19 As 0.31399878104567 0.81013288171759 0.71479957185012 74.922 > 19 20 As 0.81399878104567 0.81013288171759 0.71479957185012 74.922 > 19 21 As 0.31399878104567 0.68986711828241 0.21479957185012 74.922 > 21 22 As 0.81399878104567 0.68986711828241 0.21479957185012 74.922 > 21 23 As 0.18600121895433 0.31013288171759 0.78520042814988 74.922 > 23 24 As 0.68600121895433 0.31013288171759 0.78520042814988 74.922 > 23 25 As 0.44509356618416 0.28595149670449 0.72809042767080 74.922 > 25 26 As 0.94509356618416 0.28595149670449 0.72809042767080 74.922 > 25 27 As 0.05490643381584 0.78595149670449 0.77190957232920 74.922 > 27 28 As 0.55490643381584 0.78595149670449 0.77190957232920 74.922 > 27 29 As 0.05490643381584 0.71404850329551 0.27190957232920 74.922 > 29 30 As 0.55490643381584 0.71404850329551 0.27190957232920 74.922 > 29 31 As 0.44509356618416 0.21404850329551 0.22809042767080 74.922 > 31 32 As 0.94509356618416 0.21404850329551 0.22809042767080 74.922 > 31 33 As 0.39641060819998 0.94611908315306 0.24275789562500 74.922 > 33 34 As 0.89641060819998 0.94611908315306 0.24275789562500 74.922 > 33 35 As 0.39641060819998 0.55388091684694 0.74275789562500 74.922 > 35 36 As 0.89641060819998 0.55388091684694 0.74275789562500 74.922 > 35 37 As 0.10358939180002 0.05388091684694 0.75724210437500 74.922 > 37 38 As 0.60358939180002 0.05388091684694 0.75724210437500 74.922 > 37 39 As 0.13443775269726 0.03417050644821 0.28015432407891 74.922 > 39 40 As 0.63443775269726 0.03417050644821 0.28015432407891 74.922 > 39 41 As 0.13443775269726 0.46582949355179 0.78015432407891 74.922 > 41 42 As 0.63443775269726 0.46582949355179 0.78015432407891 74.922 > 41 43 As 0.36556224730274 0.96582949355179 0.71984567592109 74.922 > 43 44 As 0.86556224730274 0.96582949355179 0.71984567592109 74.922 > 43 45 As 0.18600121895433 0.18986711828241 0.28520042814988 74.922 > 45 46 As 0.68600121895433 0.18986711828241 0.28520042814988 74.922 > 45 47 As 0.36556224730274 0.53417050644821 0.21984567592109 74.922 > 47 48 As 0.86556224730274 0.53417050644821 0.21984567592109 74.922 > 47 49 Rb 0.25336457028898 0.38284290739506 0.56700483573408 85.468 > 49 50 Rb 0.75336457028898 0.38284290739506 0.56700483573408 85.468 > 49 51 Rb 0.24663542971102 0.88284290739506 0.93299516426592 85.468 > 51 52 Rb 0.74663542971102 0.88284290739506 0.93299516426592 85.468 > 51 53 Rb 0.24663542971102 0.61715709260494 0.43299516426592 85.468 > 53 54 Rb 0.74663542971102 0.61715709260494 0.43299516426592 85.468 > 53 55 Rb 0.25336457028898 0.11715709260494 0.06700483573408 85.468 > 55 56 Rb 0.75336457028898 0.11715709260494 0.06700483573408 85.468 > 55 57 Rb 0.39574279295096 0.38768124728480 0.97472713311406 85.468 > 57 58 Rb 0.89574279295096 0.38768124728480 0.97472713311406 85.468 > 57 59 Rb 0.10425720704904 0.88768124728480 0.52527286688594 85.468 > 59 60 Rb 0.60425720704904 0.88768124728480 0.52527286688594 85.468 > 59 61 Rb 0.10425720704904 0.61231875271520 0.02527286688594 85.468 > 61 62 Rb 0.60425720704904 0.61231875271520 0.02527286688594 85.468 > 61 63 Rb 0.39574279295096 0.11231875271521 0.47472713311406 85.468 > 63 64 Rb 0.89574279295096 0.11231875271521 0.47472713311406 85.468 > 63 65 Rb 0.20739692076290 0.13307126604533 0.59401885665461 85.468 > 65 66 Rb 0.70739692076290 0.13307126604533 0.59401885665461 85.468 > 65 67 Rb 0.29260307923710 0.63307126604533 0.90598114334539 85.468 > 67 68 Rb 0.79260307923710 0.63307126604533 0.90598114334539 85.468 > 67 69 Rb 0.29260307923710 0.86692873395467 0.40598114334539 85.468 > 69 70 Rb 0.79260307923710 0.86692873395467 0.40598114334539 85.468 > 69 71 Rb 0.20739692076290 0.36692873395467 0.09401885665461 85.468 > 71 72 Rb 0.70739692076290 0.36692873395467 0.09401885665461 85.468 > 71 73 Rb 0.49334408975464 0.12832255266386 0.96578234346920 85.468 > 73 74 Rb 0.99334408975464 0.12832255266386 0.96578234346920 85.468 > 73 75 Rb 0.00665591024536 0.62832255266387 0.53421765653080 85.468 > 75 76 Rb 0.50665591024536 0.62832255266387 0.53421765653080 85.468 > 75 77 Rb 0.00665591024536 0.87167744733613 0.03421765653080 85.468 > 77 78 Rb 0.50665591024536 0.87167744733613 0.03421765653080 85.468 > 77 79 Rb 0.49334408975464 0.37167744733614 0.46578234346920 85.468 > 79 80 Rb 0.99334408975464 0.37167744733614 0.46578234346920 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1125640 0.0000000 0.1497699 0.0000000 8.3811942 0.0000000 0.1497739 0.0000000 4.3586577 -------------------------- Born effective charges -------------------------- 1 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 2 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 3 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 4 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 5 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 6 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 7 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 8 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 9 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 10 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 11 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 12 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 13 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 14 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 15 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 16 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 17 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 18 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 19 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 20 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 21 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 22 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 23 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 24 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 25 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 26 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 27 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 28 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 29 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 30 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 31 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 32 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 33 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 34 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 35 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 36 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 37 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 38 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 39 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 40 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 7, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 19, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:21:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:21:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.023266912955464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): 1 Ga 0.99571617128559 0.05937599123060 0.25821160899761 69.723 2 Ga 0.00428382871441 0.55937599123060 0.24178839100239 69.723 3 Ga 0.99571617128559 0.44062400876940 0.75821160899761 69.723 4 Ga 0.14296615557793 0.21483078876536 0.75546046289566 69.723 5 Ga 0.85703384442207 0.71483078876536 0.74453953710434 69.723 6 Ga 0.85703384442207 0.78516921123464 0.24453953710434 69.723 7 Ga 0.14296615557793 0.28516921123464 0.25546046289566 69.723 8 Ga 0.00428382871441 0.94062400876940 0.74178839100239 69.723 9 As 0.20717878360004 0.44611908315306 0.25724210437500 74.922 10 As 0.62799756209134 0.81013288171759 0.71479957185012 74.922 11 As 0.62799756209134 0.68986711828241 0.21479957185012 74.922 12 As 0.37200243790866 0.31013288171759 0.78520042814988 74.922 13 As 0.89018713236832 0.28595149670449 0.72809042767080 74.922 14 As 0.10981286763168 0.78595149670449 0.77190957232920 74.922 15 As 0.10981286763168 0.71404850329551 0.27190957232920 74.922 16 As 0.89018713236832 0.21404850329551 0.22809042767080 74.922 17 As 0.79282121639996 0.94611908315306 0.24275789562500 74.922 18 As 0.79282121639996 0.55388091684694 0.74275789562500 74.922 19 As 0.20717878360004 0.05388091684694 0.75724210437500 74.922 20 As 0.26887550539452 0.03417050644821 0.28015432407891 74.922 21 As 0.26887550539452 0.46582949355179 0.78015432407891 74.922 22 As 0.73112449460548 0.96582949355179 0.71984567592109 74.922 23 As 0.37200243790866 0.18986711828241 0.28520042814988 74.922 24 As 0.73112449460548 0.53417050644821 0.21984567592109 74.922 25 Rb 0.50672914057797 0.38284290739506 0.56700483573408 85.468 26 Rb 0.49327085942203 0.88284290739506 0.93299516426592 85.468 27 Rb 0.49327085942203 0.61715709260494 0.43299516426592 85.468 28 Rb 0.50672914057797 0.11715709260494 0.06700483573408 85.468 29 Rb 0.79148558590193 0.38768124728480 0.97472713311406 85.468 30 Rb 0.20851441409807 0.88768124728480 0.52527286688594 85.468 31 Rb 0.20851441409807 0.61231875271520 0.02527286688594 85.468 32 Rb 0.79148558590193 0.11231875271521 0.47472713311406 85.468 33 Rb 0.41479384152580 0.13307126604533 0.59401885665461 85.468 34 Rb 0.58520615847420 0.63307126604533 0.90598114334539 85.468 35 Rb 0.58520615847420 0.86692873395467 0.40598114334539 85.468 36 Rb 0.41479384152580 0.36692873395467 0.09401885665461 85.468 37 Rb 0.98668817950927 0.12832255266386 0.96578234346920 85.468 38 Rb 0.01331182049073 0.62832255266387 0.53421765653080 85.468 39 Rb 0.01331182049073 0.87167744733613 0.03421765653080 85.468 40 Rb 0.98668817950927 0.37167744733614 0.46578234346920 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.046533825910927 0.000000000000000 0.000000000000000 b 0.000000000000000 14.598841129999997 0.000000000000000 c -5.534568294196492 0.000000000000000 10.253718763690767 Atomic positions (fractional): 1 Ga 0.49785808564280 0.05937599123060 0.25821160899761 69.723 > 1 2 Ga 0.99785808564280 0.05937599123060 0.25821160899761 69.723 > 1 3 Ga 0.00214191435720 0.55937599123060 0.24178839100239 69.723 > 3 4 Ga 0.50214191435720 0.55937599123060 0.24178839100239 69.723 > 3 5 Ga 0.49785808564280 0.44062400876940 0.75821160899761 69.723 > 5 6 Ga 0.99785808564280 0.44062400876940 0.75821160899761 69.723 > 5 7 Ga 0.07148307778896 0.21483078876536 0.75546046289566 69.723 > 7 8 Ga 0.57148307778896 0.21483078876536 0.75546046289566 69.723 > 7 9 Ga 0.42851692221104 0.71483078876536 0.74453953710434 69.723 > 9 10 Ga 0.92851692221104 0.71483078876536 0.74453953710434 69.723 > 9 11 Ga 0.42851692221104 0.78516921123464 0.24453953710434 69.723 > 11 12 Ga 0.92851692221104 0.78516921123464 0.24453953710434 69.723 > 11 13 Ga 0.07148307778896 0.28516921123464 0.25546046289566 69.723 > 13 14 Ga 0.57148307778896 0.28516921123464 0.25546046289566 69.723 > 13 15 Ga 0.00214191435720 0.94062400876940 0.74178839100239 69.723 > 15 16 Ga 0.50214191435720 0.94062400876940 0.74178839100239 69.723 > 15 17 As 0.10358939180002 0.44611908315306 0.25724210437500 74.922 > 17 18 As 0.60358939180002 0.44611908315306 0.25724210437500 74.922 > 17 19 As 0.31399878104567 0.81013288171759 0.71479957185012 74.922 > 19 20 As 0.81399878104567 0.81013288171759 0.71479957185012 74.922 > 19 21 As 0.31399878104567 0.68986711828241 0.21479957185012 74.922 > 21 22 As 0.81399878104567 0.68986711828241 0.21479957185012 74.922 > 21 23 As 0.18600121895433 0.31013288171759 0.78520042814988 74.922 > 23 24 As 0.68600121895433 0.31013288171759 0.78520042814988 74.922 > 23 25 As 0.44509356618416 0.28595149670449 0.72809042767080 74.922 > 25 26 As 0.94509356618416 0.28595149670449 0.72809042767080 74.922 > 25 27 As 0.05490643381584 0.78595149670449 0.77190957232920 74.922 > 27 28 As 0.55490643381584 0.78595149670449 0.77190957232920 74.922 > 27 29 As 0.05490643381584 0.71404850329551 0.27190957232920 74.922 > 29 30 As 0.55490643381584 0.71404850329551 0.27190957232920 74.922 > 29 31 As 0.44509356618416 0.21404850329551 0.22809042767080 74.922 > 31 32 As 0.94509356618416 0.21404850329551 0.22809042767080 74.922 > 31 33 As 0.39641060819998 0.94611908315306 0.24275789562500 74.922 > 33 34 As 0.89641060819998 0.94611908315306 0.24275789562500 74.922 > 33 35 As 0.39641060819998 0.55388091684694 0.74275789562500 74.922 > 35 36 As 0.89641060819998 0.55388091684694 0.74275789562500 74.922 > 35 37 As 0.10358939180002 0.05388091684694 0.75724210437500 74.922 > 37 38 As 0.60358939180002 0.05388091684694 0.75724210437500 74.922 > 37 39 As 0.13443775269726 0.03417050644821 0.28015432407891 74.922 > 39 40 As 0.63443775269726 0.03417050644821 0.28015432407891 74.922 > 39 41 As 0.13443775269726 0.46582949355179 0.78015432407891 74.922 > 41 42 As 0.63443775269726 0.46582949355179 0.78015432407891 74.922 > 41 43 As 0.36556224730274 0.96582949355179 0.71984567592109 74.922 > 43 44 As 0.86556224730274 0.96582949355179 0.71984567592109 74.922 > 43 45 As 0.18600121895433 0.18986711828241 0.28520042814988 74.922 > 45 46 As 0.68600121895433 0.18986711828241 0.28520042814988 74.922 > 45 47 As 0.36556224730274 0.53417050644821 0.21984567592109 74.922 > 47 48 As 0.86556224730274 0.53417050644821 0.21984567592109 74.922 > 47 49 Rb 0.25336457028898 0.38284290739506 0.56700483573408 85.468 > 49 50 Rb 0.75336457028898 0.38284290739506 0.56700483573408 85.468 > 49 51 Rb 0.24663542971102 0.88284290739506 0.93299516426592 85.468 > 51 52 Rb 0.74663542971102 0.88284290739506 0.93299516426592 85.468 > 51 53 Rb 0.24663542971102 0.61715709260494 0.43299516426592 85.468 > 53 54 Rb 0.74663542971102 0.61715709260494 0.43299516426592 85.468 > 53 55 Rb 0.25336457028898 0.11715709260494 0.06700483573408 85.468 > 55 56 Rb 0.75336457028898 0.11715709260494 0.06700483573408 85.468 > 55 57 Rb 0.39574279295096 0.38768124728480 0.97472713311406 85.468 > 57 58 Rb 0.89574279295096 0.38768124728480 0.97472713311406 85.468 > 57 59 Rb 0.10425720704904 0.88768124728480 0.52527286688594 85.468 > 59 60 Rb 0.60425720704904 0.88768124728480 0.52527286688594 85.468 > 59 61 Rb 0.10425720704904 0.61231875271520 0.02527286688594 85.468 > 61 62 Rb 0.60425720704904 0.61231875271520 0.02527286688594 85.468 > 61 63 Rb 0.39574279295096 0.11231875271521 0.47472713311406 85.468 > 63 64 Rb 0.89574279295096 0.11231875271521 0.47472713311406 85.468 > 63 65 Rb 0.20739692076290 0.13307126604533 0.59401885665461 85.468 > 65 66 Rb 0.70739692076290 0.13307126604533 0.59401885665461 85.468 > 65 67 Rb 0.29260307923710 0.63307126604533 0.90598114334539 85.468 > 67 68 Rb 0.79260307923710 0.63307126604533 0.90598114334539 85.468 > 67 69 Rb 0.29260307923710 0.86692873395467 0.40598114334539 85.468 > 69 70 Rb 0.79260307923710 0.86692873395467 0.40598114334539 85.468 > 69 71 Rb 0.20739692076290 0.36692873395467 0.09401885665461 85.468 > 71 72 Rb 0.70739692076290 0.36692873395467 0.09401885665461 85.468 > 71 73 Rb 0.49334408975464 0.12832255266386 0.96578234346920 85.468 > 73 74 Rb 0.99334408975464 0.12832255266386 0.96578234346920 85.468 > 73 75 Rb 0.00665591024536 0.62832255266387 0.53421765653080 85.468 > 75 76 Rb 0.50665591024536 0.62832255266387 0.53421765653080 85.468 > 75 77 Rb 0.00665591024536 0.87167744733613 0.03421765653080 85.468 > 77 78 Rb 0.50665591024536 0.87167744733613 0.03421765653080 85.468 > 77 79 Rb 0.49334408975464 0.37167744733614 0.46578234346920 85.468 > 79 80 Rb 0.99334408975464 0.37167744733614 0.46578234346920 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1125640 0.0000000 0.1497699 0.0000000 8.3811942 0.0000000 0.1497739 0.0000000 4.3586577 -------------------------- Born effective charges -------------------------- 1 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 2 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 3 Ga 1.6080521 -0.2616744 0.1640679 -1.6246803 2.4625468 -0.1071058 0.1723686 0.0865209 -0.3975205 4 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 5 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 6 Ga 1.0665397 0.1402794 0.0998673 -0.7975867 3.1138236 -0.0251138 0.1660580 0.1138360 -0.4431900 7 Ga 1.0665397 -0.1402794 0.0998673 0.7975867 3.1138236 0.0251138 0.1660580 -0.1138360 -0.4431900 8 Ga 1.6080521 0.2616744 0.1640679 1.6246803 2.4625468 0.1071058 0.1723686 -0.0865209 -0.3975205 9 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 10 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 11 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 12 As -1.9081008 0.0824379 -0.0275744 -0.1649528 -1.5663289 -0.1248558 -0.1132869 0.0027050 -1.0565948 13 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 14 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 15 As -1.9495408 0.0356886 -0.0796310 0.5961130 -2.4201108 -0.0040445 -0.1019855 -0.0629066 -1.0365318 16 As -1.9495408 -0.0356886 -0.0796310 -0.5961130 -2.4201108 0.0040445 -0.1019855 0.0629066 -1.0365318 17 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 18 As -1.7597510 0.2596924 -0.0315215 0.4393805 -3.8102553 0.0879449 -0.0159248 0.0546081 -1.1025926 19 As -1.7597510 -0.2596924 -0.0315215 -0.4393805 -3.8102553 -0.0879449 -0.0159248 -0.0546081 -1.1025926 20 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 21 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 22 As -1.7389823 0.6601224 -0.0380491 0.0314165 -1.4616135 0.0458742 -0.0694702 0.0439243 -0.9968708 23 As -1.9081008 -0.0824379 -0.0275744 0.1649528 -1.5663289 0.1248558 -0.1132869 -0.0027050 -1.0565948 24 As -1.7389823 -0.6601224 -0.0380491 -0.0314165 -1.4616135 -0.0458742 -0.0694702 -0.0439243 -0.9968708 25 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 26 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 27 Rb 1.4542527 0.1871802 0.2930792 0.2411080 0.8001117 0.1430913 0.1517507 0.0916161 1.2148255 28 Rb 1.4542527 -0.1871802 0.2930792 -0.2411080 0.8001117 -0.1430913 0.1517507 -0.0916161 1.2148255 29 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 30 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 31 Rb 1.2489993 0.0682136 0.0361657 0.0142730 0.9836529 -0.0615261 0.0326647 -0.0341286 1.3004269 32 Rb 1.2489993 -0.0682136 0.0361657 -0.0142730 0.9836529 0.0615261 0.0326647 0.0341286 1.3004269 33 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 34 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 35 Rb 1.2959553 -0.2582462 -0.0053078 -0.0778306 0.9532696 -0.0640815 -0.0414727 -0.0076199 1.1845019 36 Rb 1.2959553 0.2582462 -0.0053078 0.0778306 0.9532696 0.0640815 -0.0414727 0.0076199 1.1845019 37 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 38 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 39 Rb 0.6825757 0.0426395 -0.4110963 0.1656973 0.9449039 0.0404163 -0.1807019 0.0635156 1.3335461 40 Rb 0.6825757 -0.0426395 -0.4110963 -0.1656973 0.9449039 -0.0404163 -0.1807019 -0.0635156 1.3335461 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 3 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.38, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.713 ( 0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.735 ( 0.000 0.000 0.000) 0.000 0.836 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 9.429 0.000 -0.099) 9.429 0.307 ( 9.954 0.000 11.595) 15.282 0.488 ( 18.288 0.000 11.061) 21.372 0.765 ( 3.003 0.000 2.055) 3.639 0.775 ( 2.275 0.000 5.220) 5.695 0.788 ( 5.849 0.000 0.261) 5.855 0.888 ( 5.308 0.000 0.887) 5.382 1.033 ( 2.240 0.000 -0.950) 2.433 1.068 ( -0.120 0.000 -1.230) 1.235 1.116 ( 2.830 0.000 1.523) 3.214 1.146 ( 1.558 0.000 -1.361) 2.069 1.206 ( 4.478 0.000 -0.990) 4.586 1.227 ( 3.493 0.000 0.911) 3.609 1.257 ( 2.837 0.000 0.161) 2.841 1.271 ( 2.427 0.000 -0.896) 2.587 1.342 ( 0.626 0.000 2.226) 2.312 1.361 ( -1.121 0.000 1.435) 1.821 1.431 ( 0.886 0.000 1.645) 1.868 1.435 ( -1.148 0.000 -0.098) 1.152 1.441 ( -2.412 0.000 -0.930) 2.585 1.516 ( 0.194 0.000 0.767) 0.791 1.528 ( -0.309 0.000 0.862) 0.916 1.559 ( 3.688 0.000 -2.890) 4.685 1.579 ( 0.990 0.000 -0.581) 1.148 1.589 ( -1.012 0.000 0.217) 1.035 1.637 ( -0.447 0.000 -0.990) 1.086 1.653 ( -0.200 0.000 0.293) 0.354 1.661 ( 0.447 0.000 -0.529) 0.693 1.694 ( -0.420 0.000 0.365) 0.556 1.744 ( 0.139 0.000 0.638) 0.653 1.778 ( -2.325 0.000 -1.181) 2.608 1.807 ( -2.102 0.000 -1.136) 2.389 1.813 ( 1.017 0.000 -3.846) 3.978 1.815 ( 1.254 0.000 2.300) 2.620 1.870 ( -3.366 0.000 -4.070) 5.282 1.891 ( -3.069 0.000 2.364) 3.874 1.929 ( 0.895 0.000 -0.423) 0.990 1.932 ( -2.148 0.000 0.999) 2.369 1.970 ( -1.779 0.000 1.050) 2.066 1.989 ( -1.800 0.000 -3.856) 4.256 2.040 ( 0.258 0.000 -3.394) 3.403 2.060 ( -0.560 0.000 2.724) 2.781 2.105 ( -0.247 0.000 -1.973) 1.989 2.112 ( -2.034 0.000 -1.725) 2.667 2.161 ( 0.474 0.000 -3.193) 3.228 2.165 ( -0.315 0.000 2.109) 2.133 2.181 ( -0.271 0.000 -1.003) 1.039 2.192 ( 2.046 0.000 -2.554) 3.273 2.218 ( -1.971 0.000 0.168) 1.978 2.247 ( -0.039 0.000 -2.036) 2.036 2.280 ( -0.801 0.000 4.401) 4.474 2.309 ( 0.236 0.000 -2.378) 2.390 2.348 ( -3.894 0.000 0.612) 3.942 2.412 ( 1.572 0.000 0.232) 1.589 2.415 ( -1.292 0.000 -2.571) 2.878 2.464 ( 2.954 0.000 1.766) 3.442 2.487 ( -2.059 0.000 0.953) 2.268 2.499 ( 1.071 0.000 -3.236) 3.409 2.567 ( 2.039 0.000 -3.275) 3.858 2.575 ( -1.413 0.000 1.340) 1.947 2.629 ( 0.450 0.000 5.528) 5.546 2.679 ( 1.933 0.000 1.214) 2.283 2.690 ( -1.061 0.000 -1.935) 2.207 2.763 ( 1.039 0.000 -3.097) 3.267 2.789 ( 0.083 0.000 2.969) 2.970 2.797 ( 1.924 0.000 -4.382) 4.786 2.837 ( -1.725 0.000 4.660) 4.969 2.871 ( -4.338 0.000 0.148) 4.341 2.950 ( 0.309 0.000 0.378) 0.488 2.960 ( 0.246 0.000 -1.066) 1.094 2.961 ( 0.848 0.000 1.709) 1.908 2.995 ( 0.583 0.000 1.943) 2.028 3.035 ( -0.529 0.000 0.241) 0.582 3.114 ( 0.820 0.000 2.471) 2.603 3.141 ( 0.774 0.000 -0.143) 0.787 3.174 ( 1.014 0.000 -0.884) 1.345 3.210 ( 0.892 0.000 -1.359) 1.626 3.238 ( -0.411 0.000 -1.000) 1.081 3.262 ( -2.273 0.000 1.582) 2.769 3.277 ( 0.035 0.000 0.725) 0.726 3.296 ( -5.556 0.000 5.065) 7.518 3.419 ( -0.537 0.000 -0.809) 0.972 3.557 ( -0.413 0.000 0.386) 0.565 3.575 ( -1.136 0.000 -0.048) 1.137 3.601 ( -0.164 0.000 0.210) 0.266 3.646 ( -0.116 0.000 0.405) 0.422 3.652 ( -0.454 0.000 0.356) 0.577 3.682 ( -0.415 0.000 -0.151) 0.442 3.775 ( 0.340 0.000 -0.138) 0.367 3.795 ( -0.073 0.000 0.318) 0.326 3.798 ( 1.353 0.000 0.149) 1.361 3.821 ( 0.513 0.000 0.288) 0.589 5.260 ( 0.892 0.000 -0.125) 0.901 5.261 ( -0.128 0.000 -0.166) 0.210 5.344 ( 0.131 0.000 0.024) 0.133 5.347 ( 0.045 0.000 -0.044) 0.063 5.664 ( 0.180 0.000 0.133) 0.224 5.678 ( -0.223 0.000 -0.207) 0.305 5.958 ( -0.089 0.000 0.076) 0.117 5.961 ( -0.070 0.000 -0.089) 0.113 6.934 ( 0.083 0.000 0.158) 0.179 6.951 ( 0.055 0.000 -0.132) 0.143 6.958 ( -0.191 0.000 -0.182) 0.264 6.960 ( -0.082 0.000 -0.178) 0.196 7.351 ( 0.168 0.000 -0.115) 0.204 7.360 ( 0.360 0.000 0.030) 0.361 7.393 ( 0.038 0.000 -0.028) 0.047 7.395 ( -0.441 0.000 0.037) 0.442 7.594 ( -0.150 0.000 -0.015) 0.151 7.596 ( -0.427 0.000 -0.037) 0.429 7.632 ( -0.600 0.000 -0.224) 0.641 7.645 ( -0.161 0.000 -0.155) 0.223 7.954 ( 0.460 0.000 0.134) 0.479 7.961 ( 0.120 0.000 -0.122) 0.171 8.152 ( -1.503 0.000 -0.359) 1.545 8.184 ( -1.249 0.000 -0.508) 1.349 8.276 ( 1.219 0.000 -0.068) 1.221 8.278 ( 1.308 0.000 0.072) 1.310 8.484 ( 0.089 0.000 -0.859) 0.863 8.627 ( 1.635 0.000 -3.651) 4.000 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 5.078 0.000 -0.206) 5.082 0.586 ( 8.069 0.000 9.727) 12.638 0.845 ( 11.964 0.000 0.952) 12.002 0.849 ( 3.158 0.000 4.359) 5.383 0.904 ( 3.158 0.000 3.826) 4.961 0.918 ( 6.576 0.000 3.688) 7.540 1.022 ( 5.364 0.000 4.388) 6.930 1.061 ( 2.784 0.000 2.296) 3.608 1.113 ( 4.266 0.000 -0.157) 4.269 1.156 ( 1.544 0.000 -1.857) 2.415 1.201 ( 3.954 0.000 -1.437) 4.208 1.254 ( 1.916 0.000 -2.031) 2.792 1.264 ( -1.215 0.000 -0.297) 1.250 1.290 ( 1.315 0.000 -0.645) 1.465 1.294 ( 0.653 0.000 -2.100) 2.199 1.342 ( -5.919 0.000 -2.070) 6.270 1.362 ( -2.600 0.000 0.418) 2.633 1.386 ( -0.553 0.000 4.867) 4.898 1.390 ( -0.267 0.000 1.060) 1.093 1.429 ( 0.858 0.000 -2.740) 2.872 1.500 ( -3.070 0.000 1.309) 3.338 1.513 ( 0.014 0.000 -1.333) 1.333 1.545 ( -3.140 0.000 -2.206) 3.837 1.568 ( -1.553 0.000 -3.479) 3.810 1.587 ( 1.210 0.000 -1.390) 1.842 1.618 ( -2.897 0.000 -1.895) 3.461 1.649 ( 2.150 0.000 1.233) 2.478 1.684 ( -1.740 0.000 0.993) 2.003 1.692 ( -0.254 0.000 1.234) 1.259 1.711 ( -0.131 0.000 -0.402) 0.423 1.779 ( 2.020 0.000 -1.363) 2.437 1.809 ( 0.948 0.000 0.339) 1.007 1.821 ( 0.013 0.000 -2.323) 2.323 1.839 ( 6.386 0.000 0.495) 6.405 1.842 ( 0.182 0.000 -0.161) 0.243 1.863 ( -1.457 0.000 0.571) 1.565 1.926 ( 2.837 0.000 3.784) 4.729 1.927 ( -1.037 0.000 -2.027) 2.277 1.959 ( 0.346 0.000 2.115) 2.143 1.968 ( 0.589 0.000 -2.043) 2.126 1.994 ( -0.053 0.000 -1.792) 1.793 2.026 ( -2.092 0.000 0.830) 2.251 2.079 ( -0.866 0.000 -0.648) 1.082 2.120 ( 1.206 0.000 -0.155) 1.216 2.142 ( -3.144 0.000 -2.832) 4.232 2.157 ( -0.652 0.000 0.933) 1.138 2.170 ( 0.208 0.000 0.474) 0.517 2.202 ( 1.341 0.000 1.842) 2.278 2.212 ( 0.633 0.000 1.457) 1.589 2.221 ( -0.807 0.000 -0.333) 0.873 2.261 ( -2.043 0.000 -2.418) 3.166 2.312 ( -0.166 0.000 3.090) 3.094 2.329 ( -0.706 0.000 1.802) 1.935 2.363 ( 0.866 0.000 -5.944) 6.007 2.388 ( -2.304 0.000 -1.804) 2.926 2.442 ( -3.973 0.000 -3.398) 5.228 2.453 ( -2.499 0.000 1.128) 2.742 2.520 ( 1.699 0.000 -1.611) 2.341 2.570 ( 0.488 0.000 -1.246) 1.338 2.581 ( -1.212 0.000 1.281) 1.764 2.661 ( 1.673 0.000 -2.099) 2.685 2.688 ( 0.816 0.000 2.839) 2.954 2.711 ( -0.394 0.000 2.006) 2.045 2.734 ( -0.366 0.000 -2.109) 2.141 2.794 ( 1.962 0.000 -2.876) 3.482 2.804 ( -3.485 0.000 2.705) 4.412 2.822 ( 0.874 0.000 0.056) 0.876 2.839 ( -2.139 0.000 2.938) 3.634 2.944 ( -1.498 0.000 -0.257) 1.520 2.963 ( 0.338 0.000 0.425) 0.543 2.992 ( 1.116 0.000 1.070) 1.547 3.008 ( -0.241 0.000 0.321) 0.402 3.043 ( 0.227 0.000 1.212) 1.233 3.134 ( -0.348 0.000 0.600) 0.694 3.154 ( 0.986 0.000 -0.843) 1.297 3.177 ( -0.976 0.000 1.504) 1.793 3.216 ( -0.085 0.000 0.323) 0.334 3.231 ( 0.340 0.000 -0.421) 0.541 3.235 ( 0.745 0.000 0.270) 0.792 3.272 ( -1.142 0.000 0.785) 1.386 3.277 ( -0.527 0.000 0.226) 0.574 3.401 ( -0.439 0.000 -0.733) 0.855 3.548 ( -1.295 0.000 -0.223) 1.314 3.554 ( -0.237 0.000 0.300) 0.382 3.602 ( -0.013 0.000 0.237) 0.238 3.645 ( -0.172 0.000 0.129) 0.215 3.651 ( -0.248 0.000 0.476) 0.537 3.672 ( -0.418 0.000 -0.164) 0.449 3.778 ( 0.039 0.000 -0.202) 0.206 3.788 ( -0.439 0.000 -0.180) 0.475 3.827 ( 1.048 0.000 0.322) 1.097 3.835 ( 0.677 0.000 -0.015) 0.677 5.256 ( -0.119 0.000 -0.254) 0.281 5.275 ( 0.818 0.000 -0.160) 0.834 5.346 ( -0.054 0.000 -0.063) 0.083 5.347 ( 0.116 0.000 0.061) 0.131 5.669 ( 0.178 0.000 0.141) 0.227 5.671 ( -0.217 0.000 -0.180) 0.282 5.957 ( -0.094 0.000 0.063) 0.113 5.958 ( -0.084 0.000 -0.100) 0.131 6.938 ( 0.151 0.000 0.269) 0.308 6.951 ( 0.114 0.000 -0.193) 0.224 6.952 ( -0.243 0.000 -0.274) 0.366 6.956 ( -0.268 0.000 0.124) 0.295 7.354 ( 0.240 0.000 -0.115) 0.266 7.368 ( 0.390 0.000 0.043) 0.392 7.386 ( -0.477 0.000 0.036) 0.479 7.392 ( -0.144 0.000 0.171) 0.224 7.589 ( -0.226 0.000 0.014) 0.226 7.591 ( -0.087 0.000 -0.103) 0.135 7.617 ( -0.701 0.000 -0.114) 0.710 7.636 ( -0.471 0.000 -0.236) 0.526 7.962 ( 0.120 0.000 -0.140) 0.185 7.964 ( 0.407 0.000 0.104) 0.420 8.119 ( -1.305 0.000 -0.353) 1.352 8.157 ( -1.095 0.000 -0.201) 1.113 8.298 ( 1.071 0.000 -0.069) 1.074 8.304 ( 1.226 0.000 0.095) 1.230 8.479 ( 0.307 0.000 -0.715) 0.778 8.620 ( 0.175 0.000 -0.995) 1.010 ======================= Grid point 3 (4/32) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 0.000 0.000) 0.000 0.740 ( 0.000 0.000 -0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 0.914 ( 0.000 0.000 0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 -0.000) 0.000 1.202 ( -0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.285 ( -0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 -0.000) 0.000 1.416 ( -0.000 0.000 -0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.437 ( -0.000 0.000 0.000) 0.000 1.494 ( -0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 -0.000) 0.000 1.501 ( 0.000 0.000 -0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 -0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.760 ( -0.000 0.000 -0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.881 ( -0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.940 ( -0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 1.992 ( -0.000 0.000 0.000) 0.000 2.016 ( -0.000 0.000 -0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.027 ( -0.000 0.000 -0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.146 ( -0.000 0.000 0.000) 0.000 2.150 ( -0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 -0.000) 0.000 2.197 ( 0.000 0.000 -0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.300 ( -0.000 0.000 -0.000) 0.000 2.332 ( -0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 -0.000) 0.000 2.339 ( -0.000 0.000 -0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.530 ( -0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.710 ( -0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 -0.000) 0.000 2.724 ( -0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 -0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.826 ( -0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 -0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.257 ( -0.000 0.000 0.000) 0.000 3.257 ( -0.000 0.000 0.000) 0.000 3.264 ( -0.000 0.000 -0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.554 ( -0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 -0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.944 ( -0.000 0.000 -0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.356 ( -0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/32) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.160 ( 0.000 11.857 0.000) 11.857 0.343 ( 0.000 14.795 0.000) 14.795 0.470 ( 0.000 -12.989 0.000) 12.989 0.649 ( 0.000 -10.127 0.000) 10.127 0.757 ( 0.000 1.647 0.000) 1.647 0.786 ( 0.000 7.079 0.000) 7.079 0.853 ( 0.000 22.418 0.000) 22.418 1.064 ( 0.000 0.084 0.000) 0.084 1.067 ( 0.000 2.140 0.000) 2.140 1.084 ( 0.000 -0.004 0.000) 0.004 1.093 ( 0.000 -1.795 0.000) 1.795 1.178 ( 0.000 0.836 0.000) 0.836 1.209 ( 0.000 -0.206 0.000) 0.206 1.248 ( 0.000 3.395 0.000) 3.395 1.267 ( 0.000 6.723 0.000) 6.723 1.335 ( 0.000 -3.700 0.000) 3.700 1.364 ( 0.000 4.400 0.000) 4.400 1.378 ( 0.000 -2.359 0.000) 2.359 1.420 ( 0.000 -2.657 0.000) 2.657 1.454 ( 0.000 -2.351 0.000) 2.351 1.492 ( 0.000 -1.940 0.000) 1.940 1.538 ( 0.000 1.857 0.000) 1.857 1.548 ( 0.000 1.125 0.000) 1.125 1.553 ( 0.000 -12.632 0.000) 12.632 1.604 ( 0.000 1.663 0.000) 1.663 1.628 ( 0.000 3.485 0.000) 3.485 1.644 ( 0.000 -5.474 0.000) 5.474 1.656 ( 0.000 -2.212 0.000) 2.212 1.668 ( 0.000 -0.735 0.000) 0.735 1.719 ( 0.000 -2.491 0.000) 2.491 1.755 ( 0.000 2.011 0.000) 2.011 1.781 ( 0.000 0.747 0.000) 0.747 1.800 ( 0.000 -1.510 0.000) 1.510 1.870 ( 0.000 2.571 0.000) 2.571 1.883 ( 0.000 0.696 0.000) 0.696 1.914 ( 0.000 -10.374 0.000) 10.374 1.940 ( 0.000 1.231 0.000) 1.231 1.962 ( 0.000 -0.339 0.000) 0.339 1.968 ( 0.000 1.136 0.000) 1.136 2.005 ( 0.000 2.756 0.000) 2.756 2.034 ( 0.000 3.106 0.000) 3.106 2.040 ( 0.000 -4.187 0.000) 4.187 2.067 ( 0.000 -0.662 0.000) 0.662 2.095 ( 0.000 -1.552 0.000) 1.552 2.120 ( 0.000 -2.535 0.000) 2.535 2.134 ( 0.000 -2.239 0.000) 2.239 2.184 ( 0.000 -0.186 0.000) 0.186 2.189 ( 0.000 2.377 0.000) 2.377 2.202 ( 0.000 -1.857 0.000) 1.857 2.246 ( 0.000 -1.737 0.000) 1.737 2.331 ( 0.000 2.058 0.000) 2.058 2.341 ( 0.000 0.423 0.000) 0.423 2.378 ( 0.000 2.801 0.000) 2.801 2.404 ( 0.000 -1.539 0.000) 1.539 2.434 ( 0.000 1.958 0.000) 1.958 2.463 ( 0.000 1.843 0.000) 1.843 2.493 ( 0.000 -0.280 0.000) 0.280 2.501 ( 0.000 -1.454 0.000) 1.454 2.552 ( 0.000 -1.234 0.000) 1.234 2.555 ( 0.000 -0.361 0.000) 0.361 2.643 ( 0.000 -0.851 0.000) 0.851 2.644 ( 0.000 -0.512 0.000) 0.512 2.669 ( 0.000 2.566 0.000) 2.566 2.727 ( 0.000 -0.825 0.000) 0.825 2.778 ( 0.000 1.067 0.000) 1.067 2.799 ( 0.000 -0.236 0.000) 0.236 2.823 ( 0.000 0.861 0.000) 0.861 2.870 ( 0.000 -2.320 0.000) 2.320 2.957 ( 0.000 0.708 0.000) 0.708 2.958 ( 0.000 0.769 0.000) 0.769 2.976 ( 0.000 1.521 0.000) 1.521 2.995 ( 0.000 1.082 0.000) 1.082 3.046 ( 0.000 0.036 0.000) 0.036 3.060 ( 0.000 -0.879 0.000) 0.879 3.140 ( 0.000 0.473 0.000) 0.473 3.159 ( 0.000 -1.008 0.000) 1.008 3.208 ( 0.000 1.143 0.000) 1.143 3.248 ( 0.000 -1.717 0.000) 1.717 3.305 ( 0.000 1.891 0.000) 1.891 3.309 ( 0.000 6.205 0.000) 6.205 3.334 ( 0.000 5.593 0.000) 5.593 3.415 ( 0.000 0.432 0.000) 0.432 3.488 ( 0.000 -4.700 0.000) 4.700 3.526 ( 0.000 -6.069 0.000) 6.069 3.614 ( 0.000 1.268 0.000) 1.268 3.645 ( 0.000 -0.726 0.000) 0.726 3.695 ( 0.000 0.032 0.000) 0.032 3.695 ( 0.000 0.376 0.000) 0.376 3.762 ( 0.000 -0.593 0.000) 0.593 3.763 ( 0.000 -0.798 0.000) 0.798 3.807 ( 0.000 -0.083 0.000) 0.083 3.820 ( 0.000 -1.040 0.000) 1.040 5.272 ( 0.000 1.652 0.000) 1.652 5.283 ( 0.000 1.409 0.000) 1.409 5.316 ( 0.000 -1.927 0.000) 1.927 5.320 ( 0.000 -1.740 0.000) 1.740 5.749 ( 0.000 6.461 0.000) 6.461 5.757 ( 0.000 5.843 0.000) 5.843 5.894 ( 0.000 -5.153 0.000) 5.153 5.897 ( 0.000 -5.399 0.000) 5.399 6.939 ( 0.000 0.520 0.000) 0.520 6.944 ( 0.000 0.026 0.000) 0.026 6.948 ( 0.000 -0.251 0.000) 0.251 6.953 ( 0.000 -0.604 0.000) 0.604 7.359 ( 0.000 0.139 0.000) 0.139 7.369 ( 0.000 -0.794 0.000) 0.794 7.387 ( 0.000 -0.242 0.000) 0.242 7.394 ( 0.000 -0.474 0.000) 0.474 7.623 ( 0.000 0.921 0.000) 0.921 7.629 ( 0.000 0.031 0.000) 0.031 7.711 ( 0.000 4.199 0.000) 4.199 7.823 ( 0.000 -5.368 0.000) 5.368 8.006 ( 0.000 3.989 0.000) 3.989 8.104 ( 0.000 -3.868 0.000) 3.868 8.139 ( 0.000 5.254 0.000) 5.254 8.198 ( 0.000 -0.069 0.000) 0.069 8.310 ( 0.000 3.646 0.000) 3.646 8.381 ( 0.000 1.346 0.000) 1.346 8.406 ( 0.000 -4.069 0.000) 4.069 8.445 ( 0.000 -3.313 0.000) 3.313 ======================= Grid point 8 (6/32) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 11.309 5.122 4.628) 13.249 0.451 ( 5.476 9.706 8.701) 14.138 0.588 ( 7.053 -9.464 6.381) 13.418 0.700 ( 2.415 -9.050 5.350) 10.787 0.741 ( 1.331 9.619 -0.922) 9.754 0.821 ( 2.644 0.358 0.890) 2.812 0.943 ( 6.135 13.887 2.259) 15.348 1.040 ( 1.341 0.309 -2.276) 2.660 1.061 ( 2.503 -1.766 -2.940) 4.246 1.116 ( 0.537 1.731 -0.140) 1.818 1.161 ( 1.292 -0.428 2.116) 2.516 1.196 ( 1.743 0.699 1.649) 2.499 1.245 ( 3.511 1.862 1.596) 4.283 1.274 ( 0.425 -1.190 2.188) 2.526 1.304 ( 0.858 1.765 -1.230) 2.316 1.310 ( 0.965 0.075 -0.528) 1.103 1.370 ( 1.097 2.039 1.333) 2.672 1.409 ( 1.005 -1.672 0.885) 2.142 1.426 ( 0.013 -0.531 -0.404) 0.667 1.465 ( 0.372 -4.682 -0.962) 4.794 1.496 ( 1.057 -1.520 -1.369) 2.303 1.517 ( 0.187 -0.040 1.330) 1.343 1.539 ( -0.113 0.250 0.576) 0.638 1.574 ( 0.843 1.385 -1.561) 2.251 1.607 ( 1.492 -0.381 -1.793) 2.364 1.627 ( 0.300 3.245 -0.360) 3.279 1.649 ( -0.468 -1.985 -1.070) 2.302 1.666 ( 1.765 -0.118 0.472) 1.831 1.701 ( -0.282 -3.442 -0.055) 3.454 1.726 ( 3.378 -6.153 2.228) 7.365 1.748 ( -0.977 2.391 0.932) 2.746 1.792 ( 0.606 0.764 0.727) 1.216 1.815 ( 0.002 -1.141 -0.686) 1.331 1.841 ( -1.201 0.682 1.692) 2.184 1.860 ( -0.856 0.655 -0.372) 1.140 1.877 ( -2.620 1.690 -2.264) 3.853 1.897 ( -2.911 -4.367 1.118) 5.367 1.954 ( -0.706 -0.482 -1.309) 1.563 1.961 ( -0.997 -0.854 0.966) 1.630 2.000 ( -0.887 -0.178 -4.086) 4.184 2.003 ( -1.535 1.918 0.851) 2.599 2.050 ( -0.475 -0.913 -0.409) 1.108 2.056 ( -1.402 -3.472 -0.628) 3.797 2.070 ( -2.148 -2.065 -1.430) 3.305 2.121 ( 2.561 -0.541 -1.629) 3.083 2.148 ( 3.395 -1.564 -2.256) 4.366 2.169 ( -1.638 0.673 0.361) 1.807 2.179 ( -0.638 -0.847 0.553) 1.195 2.191 ( 0.206 0.588 -2.306) 2.388 2.264 ( -0.481 -2.844 1.035) 3.065 2.294 ( -1.070 1.467 -1.425) 2.308 2.311 ( -1.216 -0.324 -2.547) 2.840 2.357 ( -1.653 2.694 -0.681) 3.233 2.397 ( -0.222 1.645 1.514) 2.247 2.429 ( 1.366 0.405 -5.376) 5.562 2.475 ( -0.372 -1.707 0.750) 1.901 2.497 ( 0.754 0.065 -1.345) 1.544 2.513 ( -0.443 0.199 1.229) 1.321 2.530 ( -0.315 0.412 -0.876) 1.018 2.571 ( -1.770 -1.371 4.043) 4.621 2.657 ( 0.343 -0.522 1.228) 1.378 2.660 ( -0.629 1.165 2.941) 3.225 2.680 ( 0.710 -1.277 0.126) 1.466 2.721 ( -0.490 -0.263 -0.866) 1.029 2.782 ( 0.695 0.251 -0.220) 0.771 2.799 ( 1.102 -0.837 -1.814) 2.281 2.832 ( -0.651 0.375 2.190) 2.315 2.856 ( -1.808 -1.481 0.189) 2.344 2.935 ( -1.201 1.016 1.210) 1.985 2.951 ( -0.359 -0.132 0.045) 0.385 3.010 ( 2.041 1.377 -0.191) 2.469 3.026 ( 1.383 0.938 1.446) 2.210 3.040 ( -0.133 0.393 0.167) 0.447 3.076 ( 0.757 -2.192 0.706) 2.424 3.146 ( 0.218 0.484 0.813) 0.971 3.167 ( -0.384 -1.484 1.606) 2.220 3.215 ( 0.591 1.067 -0.045) 1.221 3.249 ( 0.539 -1.346 -0.825) 1.668 3.291 ( -0.343 2.696 -0.605) 2.784 3.318 ( -0.662 1.396 -0.722) 1.705 3.338 ( 0.585 8.462 1.363) 8.591 3.411 ( -0.148 0.766 -0.427) 0.889 3.494 ( 0.132 -3.999 0.440) 4.025 3.523 ( -0.283 -5.167 0.135) 5.177 3.616 ( -0.018 1.258 0.334) 1.301 3.646 ( -0.100 -0.650 0.356) 0.748 3.678 ( -1.159 0.261 0.194) 1.203 3.685 ( -0.767 -0.030 -0.222) 0.799 3.756 ( -0.382 -0.039 0.110) 0.399 3.778 ( 0.776 -1.363 0.047) 1.570 3.811 ( 0.491 -0.330 0.067) 0.596 3.815 ( -0.044 -0.176 -0.442) 0.478 5.273 ( 0.296 1.537 0.036) 1.566 5.282 ( -0.008 1.511 -0.091) 1.514 5.317 ( 0.140 -1.931 0.011) 1.937 5.322 ( 0.200 -1.797 -0.074) 1.810 5.750 ( 0.064 6.343 0.074) 6.344 5.756 ( -0.131 5.870 -0.116) 5.873 5.893 ( -0.094 -5.199 -0.030) 5.200 5.896 ( -0.049 -5.303 0.025) 5.304 6.939 ( -0.056 0.404 0.041) 0.410 6.947 ( 0.088 -0.269 0.068) 0.291 6.948 ( 0.051 -0.193 -0.021) 0.200 6.952 ( -0.061 -0.542 -0.070) 0.549 7.359 ( 0.091 0.086 0.011) 0.126 7.368 ( -0.173 -0.460 0.108) 0.503 7.385 ( -0.176 -0.104 -0.034) 0.208 7.391 ( -0.314 -0.381 0.031) 0.495 7.617 ( -0.572 1.130 0.161) 1.277 7.629 ( -0.248 0.125 0.120) 0.303 7.685 ( -2.151 2.806 -0.625) 3.591 7.735 ( -5.775 0.275 -1.945) 6.100 8.011 ( 0.366 3.942 0.165) 3.963 8.038 ( -2.546 5.359 -0.748) 5.980 8.123 ( -0.730 -1.746 -0.527) 1.964 8.163 ( -2.465 -2.044 -0.990) 3.352 8.335 ( 1.996 4.886 0.396) 5.293 8.343 ( -0.171 3.944 -0.477) 3.977 8.440 ( 0.059 -3.262 -0.766) 3.351 8.496 ( 3.505 -7.641 -0.411) 8.416 ======================= Grid point 9 (7/32) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 3.164 9.101 0.520) 9.649 0.643 ( 7.607 3.329 4.342) 9.370 0.755 ( 3.062 -2.683 7.419) 8.463 0.822 ( 3.737 -7.320 6.538) 10.502 0.859 ( 6.945 -0.772 4.795) 8.475 0.890 ( 3.563 -1.898 0.505) 4.069 1.039 ( 1.040 -0.425 0.761) 1.357 1.054 ( 0.708 1.734 -2.056) 2.781 1.093 ( 3.689 0.844 0.490) 3.816 1.154 ( 3.519 0.876 0.923) 3.742 1.193 ( 0.943 -1.939 3.132) 3.803 1.225 ( -1.624 -2.760 -0.578) 3.255 1.227 ( 0.245 0.786 -2.371) 2.510 1.268 ( -2.629 -1.865 -1.159) 3.426 1.333 ( -0.771 3.681 -1.809) 4.174 1.339 ( 2.706 2.914 -0.803) 4.057 1.404 ( -1.340 -1.500 -2.585) 3.275 1.416 ( 1.653 0.469 -2.754) 3.246 1.438 ( -1.383 2.504 0.013) 2.860 1.449 ( 2.619 1.480 3.666) 4.742 1.472 ( -1.232 -1.088 0.250) 1.663 1.522 ( 0.034 1.072 -2.969) 3.157 1.551 ( -0.710 1.161 0.233) 1.381 1.576 ( -0.618 -1.734 -0.648) 1.951 1.589 ( -1.122 -1.579 -1.609) 2.518 1.602 ( 0.416 0.226 -2.280) 2.329 1.657 ( 1.976 2.559 0.111) 3.235 1.719 ( 1.382 -0.119 0.941) 1.676 1.731 ( 1.217 2.516 1.179) 3.034 1.751 ( 0.331 2.651 2.056) 3.371 1.777 ( -1.949 -0.288 -1.757) 2.640 1.784 ( -1.812 -0.210 0.069) 1.826 1.810 ( 2.622 0.093 -0.137) 2.627 1.824 ( 1.404 -0.231 0.396) 1.477 1.847 ( -0.826 -1.038 1.228) 1.808 1.888 ( 1.961 1.463 0.276) 2.462 1.899 ( 0.892 -1.464 1.872) 2.538 1.929 ( -0.219 -0.537 -0.289) 0.648 1.956 ( -0.368 0.180 -2.693) 2.724 1.978 ( 2.388 -1.233 -2.325) 3.554 1.987 ( 0.021 -1.141 0.370) 1.199 2.006 ( 1.191 -0.871 1.766) 2.301 2.035 ( -0.026 -3.613 0.784) 3.698 2.075 ( 0.627 -2.830 2.203) 3.640 2.119 ( -2.692 -1.262 -0.181) 2.979 2.129 ( -2.132 -0.920 -0.394) 2.355 2.161 ( 1.796 1.466 -1.089) 2.561 2.181 ( 0.987 0.139 0.180) 1.013 2.215 ( 0.681 -0.275 1.603) 1.764 2.243 ( -0.693 1.804 -0.648) 2.038 2.271 ( -0.559 0.019 -1.324) 1.437 2.283 ( 0.463 -4.048 -0.285) 4.085 2.360 ( 0.712 1.466 -0.714) 1.780 2.378 ( -2.868 1.894 -1.530) 3.762 2.388 ( 0.228 1.952 -3.418) 3.943 2.444 ( -3.195 -0.669 -1.784) 3.720 2.452 ( 0.013 -1.444 -2.634) 3.004 2.484 ( -2.607 -1.473 -1.272) 3.254 2.535 ( -1.092 0.195 -0.228) 1.132 2.572 ( -1.845 -1.164 3.488) 4.114 2.668 ( 0.012 -0.776 1.272) 1.490 2.679 ( -0.008 0.045 -0.077) 0.089 2.681 ( -0.109 -2.147 -0.469) 2.200 2.699 ( -0.309 -0.724 -0.220) 0.818 2.781 ( -1.164 -0.010 0.326) 1.209 2.803 ( 0.998 -0.750 -1.298) 1.801 2.828 ( -1.063 0.409 1.525) 1.903 2.835 ( -1.561 -0.278 2.072) 2.609 2.932 ( -0.296 0.547 0.345) 0.711 2.954 ( 0.529 -0.957 0.002) 1.093 3.034 ( 0.176 1.437 0.089) 1.450 3.038 ( 0.717 1.471 0.010) 1.636 3.064 ( 0.393 0.977 1.251) 1.635 3.098 ( 1.027 -2.128 0.541) 2.424 3.162 ( 0.410 0.305 0.864) 1.004 3.171 ( -0.737 -0.535 1.589) 1.832 3.223 ( 0.364 0.883 -0.305) 1.002 3.247 ( 0.213 -0.861 -1.071) 1.391 3.280 ( -0.275 1.629 -0.327) 1.684 3.289 ( -0.842 2.020 -1.219) 2.505 3.367 ( 0.766 7.032 1.422) 7.215 3.405 ( -0.029 1.922 -0.284) 1.943 3.492 ( -0.544 -3.630 0.018) 3.670 3.520 ( -0.334 -3.813 0.294) 3.839 3.619 ( -0.049 1.324 0.354) 1.372 3.646 ( -0.190 -0.165 0.190) 0.315 3.667 ( -0.490 0.049 0.658) 0.821 3.672 ( -0.348 -0.047 -0.277) 0.447 3.750 ( -0.205 0.056 -0.188) 0.283 3.789 ( 0.412 -2.391 0.080) 2.428 3.810 ( -0.020 0.448 -0.498) 0.670 3.822 ( 0.477 -0.863 0.006) 0.986 5.278 ( 0.028 1.731 -0.132) 1.736 5.285 ( 0.526 1.094 0.053) 1.216 5.321 ( 0.226 -1.748 -0.003) 1.763 5.324 ( 0.110 -1.815 -0.135) 1.824 5.750 ( -0.162 5.954 -0.115) 5.957 5.753 ( 0.027 6.201 0.066) 6.202 5.890 ( -0.116 -5.284 -0.051) 5.286 5.895 ( -0.070 -5.199 0.014) 5.199 6.938 ( -0.010 0.106 0.096) 0.143 6.945 ( -0.164 -0.412 -0.139) 0.464 6.949 ( 0.091 -0.100 -0.076) 0.155 6.951 ( -0.095 -0.295 0.106) 0.328 7.362 ( 0.091 0.027 0.066) 0.116 7.366 ( 0.005 0.103 0.064) 0.122 7.379 ( -0.420 -0.236 -0.101) 0.492 7.386 ( -0.226 -0.443 0.066) 0.502 7.607 ( -0.554 1.274 0.086) 1.392 7.621 ( -0.683 0.785 0.026) 1.041 7.635 ( -1.940 1.192 -0.624) 2.361 7.654 ( -1.768 0.377 -0.519) 1.881 8.012 ( -0.392 4.172 -0.238) 4.197 8.021 ( 0.366 3.854 0.214) 3.878 8.098 ( -1.200 -1.923 -0.573) 2.338 8.122 ( -0.968 -3.080 -0.370) 3.249 8.343 ( 0.422 3.560 -0.371) 3.604 8.373 ( 1.445 5.428 0.339) 5.627 8.435 ( 0.178 -3.354 -0.708) 3.433 8.530 ( 0.994 -6.723 -0.273) 6.802 ======================= Grid point 10 (8/32) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 10.199 0.000) 10.199 0.766 ( 0.000 -1.121 0.000) 1.121 0.839 ( 0.000 -6.730 0.000) 6.730 0.877 ( 0.000 -2.808 0.000) 2.808 0.931 ( 0.000 -0.804 -0.000) 0.804 0.969 ( 0.000 -3.173 0.000) 3.173 1.033 ( -0.000 0.078 0.000) 0.078 1.075 ( 0.000 -4.165 0.000) 4.165 1.160 ( -0.000 0.340 0.000) 0.340 1.166 ( 0.000 0.598 0.000) 0.598 1.195 ( 0.000 -1.256 0.000) 1.256 1.213 ( 0.000 0.036 0.000) 0.036 1.254 ( 0.000 -1.530 0.000) 1.530 1.255 ( -0.000 4.477 -0.000) 4.477 1.275 ( 0.000 -1.178 0.000) 1.178 1.312 ( -0.000 -0.966 0.000) 0.966 1.369 ( 0.000 3.131 0.000) 3.131 1.408 ( -0.000 -0.693 0.000) 0.693 1.420 ( 0.000 4.133 0.000) 4.133 1.475 ( 0.000 -0.790 -0.000) 0.790 1.480 ( -0.000 0.119 0.000) 0.119 1.514 ( 0.000 0.311 0.000) 0.311 1.543 ( 0.000 -0.112 0.000) 0.112 1.550 ( 0.000 -2.605 0.000) 2.605 1.599 ( 0.000 4.341 0.000) 4.341 1.633 ( -0.000 1.414 0.000) 1.414 1.651 ( 0.000 2.990 0.000) 2.990 1.713 ( -0.000 5.005 -0.000) 5.005 1.729 ( 0.000 -3.315 0.000) 3.315 1.751 ( -0.000 1.652 0.000) 1.652 1.752 ( 0.000 -1.685 0.000) 1.685 1.787 ( -0.000 4.868 -0.000) 4.868 1.798 ( 0.000 -0.925 0.000) 0.925 1.862 ( 0.000 -0.352 -0.000) 0.352 1.864 ( -0.000 0.301 0.000) 0.301 1.908 ( -0.000 0.983 0.000) 0.983 1.911 ( 0.000 -0.993 -0.000) 0.993 1.916 ( 0.000 -4.348 -0.000) 4.348 1.969 ( 0.000 -1.027 0.000) 1.027 1.984 ( 0.000 -1.761 0.000) 1.761 2.033 ( 0.000 -1.114 0.000) 1.114 2.044 ( -0.000 -0.731 0.000) 0.731 2.048 ( 0.000 0.928 0.000) 0.928 2.077 ( 0.000 -0.527 0.000) 0.527 2.087 ( 0.000 1.898 0.000) 1.898 2.149 ( 0.000 -1.992 0.000) 1.992 2.167 ( 0.000 0.560 0.000) 0.560 2.207 ( 0.000 0.019 0.000) 0.019 2.238 ( -0.000 -1.297 -0.000) 1.297 2.241 ( 0.000 0.689 0.000) 0.689 2.277 ( 0.000 -1.550 0.000) 1.550 2.278 ( -0.000 -2.491 -0.000) 2.491 2.307 ( 0.000 1.785 -0.000) 1.785 2.320 ( 0.000 0.643 -0.000) 0.643 2.377 ( 0.000 1.445 0.000) 1.445 2.386 ( 0.000 0.973 -0.000) 0.973 2.437 ( 0.000 -0.411 0.000) 0.411 2.462 ( -0.000 -3.605 0.000) 3.605 2.512 ( 0.000 -0.495 0.000) 0.495 2.557 ( 0.000 -2.122 0.000) 2.122 2.664 ( 0.000 -0.397 0.000) 0.397 2.682 ( -0.000 -0.590 0.000) 0.590 2.684 ( 0.000 -0.733 0.000) 0.733 2.702 ( 0.000 -1.231 0.000) 1.231 2.768 ( 0.000 0.311 0.000) 0.311 2.807 ( 0.000 -2.114 0.000) 2.114 2.823 ( -0.000 0.882 0.000) 0.882 2.836 ( 0.000 -0.165 0.000) 0.165 2.929 ( 0.000 1.146 0.000) 1.146 2.960 ( 0.000 -1.020 0.000) 1.020 3.034 ( 0.000 1.286 0.000) 1.286 3.050 ( 0.000 -0.212 0.000) 0.212 3.069 ( -0.000 2.477 0.000) 2.477 3.115 ( -0.000 -1.394 0.000) 1.394 3.167 ( 0.000 0.589 0.000) 0.589 3.177 ( 0.000 -0.124 -0.000) 0.124 3.223 ( 0.000 0.605 0.000) 0.605 3.242 ( -0.000 -0.919 0.000) 0.919 3.273 ( 0.000 2.624 0.000) 2.624 3.277 ( 0.000 0.948 -0.000) 0.948 3.384 ( 0.000 6.060 0.000) 6.060 3.404 ( 0.000 2.943 0.000) 2.943 3.484 ( 0.000 -3.794 0.000) 3.794 3.518 ( 0.000 -3.550 0.000) 3.550 3.620 ( 0.000 1.461 0.000) 1.461 3.645 ( 0.000 0.011 0.000) 0.011 3.667 ( -0.000 -0.087 0.000) 0.087 3.668 ( 0.000 0.075 -0.000) 0.075 3.746 ( 0.000 0.151 0.000) 0.151 3.794 ( 0.000 -2.870 0.000) 2.870 3.806 ( 0.000 0.749 0.000) 0.749 3.827 ( 0.000 -1.205 0.000) 1.205 5.277 ( 0.000 1.871 0.000) 1.871 5.292 ( 0.000 0.931 0.000) 0.931 5.323 ( 0.000 -1.619 0.000) 1.619 5.325 ( 0.000 -1.813 0.000) 1.813 5.747 ( 0.000 6.014 0.000) 6.014 5.754 ( 0.000 6.114 0.000) 6.114 5.889 ( 0.000 -5.336 0.000) 5.336 5.895 ( 0.000 -5.169 0.000) 5.169 6.940 ( 0.000 -0.174 0.000) 0.174 6.941 ( 0.000 -0.234 0.000) 0.234 6.950 ( 0.000 -0.102 0.000) 0.102 6.950 ( 0.000 -0.191 0.000) 0.191 7.363 ( 0.000 0.150 0.000) 0.150 7.369 ( -0.000 0.432 -0.000) 0.432 7.372 ( 0.000 -0.643 0.000) 0.643 7.384 ( 0.000 -0.611 0.000) 0.611 7.602 ( 0.000 0.988 0.000) 0.988 7.611 ( 0.000 1.560 0.000) 1.560 7.615 ( 0.000 0.090 0.000) 0.090 7.637 ( 0.000 -0.252 0.000) 0.252 8.008 ( 0.000 3.662 0.000) 3.662 8.026 ( 0.000 4.027 0.000) 4.027 8.082 ( 0.000 -2.137 0.000) 2.137 8.112 ( 0.000 -2.899 0.000) 2.899 8.346 ( 0.000 3.279 0.000) 3.279 8.389 ( 0.000 5.607 0.000) 5.607 8.433 ( 0.000 -3.609 0.000) 3.609 8.537 ( 0.000 -6.160 0.000) 6.160 ======================= Grid point 21 (9/32) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( -6.320 0.000 13.038) 14.489 0.271 ( -2.591 0.000 13.317) 13.567 0.557 ( 0.304 0.000 27.051) 27.053 0.718 ( 2.743 0.000 -0.657) 2.821 0.761 ( -1.327 0.000 3.656) 3.890 0.789 ( 2.694 0.000 4.558) 5.294 0.883 ( -2.885 0.000 5.042) 5.809 0.963 ( 2.056 0.000 -5.983) 6.326 1.041 ( 1.793 0.000 -4.794) 5.118 1.081 ( -0.454 0.000 -3.796) 3.823 1.116 ( -0.329 0.000 1.720) 1.751 1.161 ( -0.616 0.000 3.783) 3.833 1.184 ( 2.140 0.000 1.556) 2.645 1.206 ( 0.677 0.000 0.999) 1.207 1.264 ( -1.345 0.000 1.618) 2.104 1.315 ( 1.400 0.000 1.347) 1.943 1.367 ( 0.948 0.000 -0.309) 0.997 1.434 ( 4.154 0.000 -2.279) 4.738 1.439 ( 0.244 0.000 2.240) 2.253 1.471 ( -1.385 0.000 -0.067) 1.386 1.495 ( -0.916 0.000 0.581) 1.085 1.528 ( -0.705 0.000 2.796) 2.883 1.549 ( -1.471 0.000 -0.920) 1.735 1.567 ( -0.576 0.000 -0.014) 0.576 1.580 ( 0.855 0.000 -1.638) 1.848 1.636 ( -1.427 0.000 0.921) 1.698 1.650 ( 0.087 0.000 0.342) 0.353 1.655 ( -0.709 0.000 -2.269) 2.377 1.694 ( 0.705 0.000 -0.495) 0.861 1.745 ( 3.072 0.000 -1.091) 3.260 1.773 ( 0.088 0.000 -0.877) 0.881 1.783 ( -1.196 0.000 -1.357) 1.809 1.794 ( 1.676 0.000 -5.835) 6.071 1.823 ( 1.113 0.000 1.985) 2.276 1.893 ( 0.963 0.000 -1.307) 1.624 1.904 ( -3.225 0.000 -2.912) 4.346 1.920 ( -0.607 0.000 -2.377) 2.453 1.953 ( -2.992 0.000 -4.559) 5.454 2.001 ( 0.353 0.000 1.628) 1.666 2.031 ( 1.043 0.000 3.219) 3.384 2.045 ( -2.313 0.000 -2.718) 3.569 2.060 ( 2.412 0.000 2.220) 3.278 2.108 ( -2.641 0.000 -0.599) 2.708 2.120 ( 0.069 0.000 -1.280) 1.282 2.126 ( -2.823 0.000 -1.447) 3.172 2.146 ( -1.557 0.000 -0.760) 1.733 2.178 ( -1.359 0.000 -2.237) 2.618 2.181 ( 1.011 0.000 0.645) 1.200 2.231 ( 2.938 0.000 -1.228) 3.184 2.247 ( -2.298 0.000 0.092) 2.300 2.292 ( -0.614 0.000 -3.724) 3.774 2.303 ( 2.921 0.000 -0.286) 2.935 2.318 ( 0.510 0.000 -3.196) 3.236 2.349 ( -1.304 0.000 3.862) 4.076 2.449 ( 2.255 0.000 1.695) 2.821 2.460 ( -1.017 0.000 -0.071) 1.019 2.469 ( -0.318 0.000 -2.718) 2.737 2.471 ( 3.902 0.000 -1.066) 4.045 2.523 ( 2.975 0.000 2.069) 3.624 2.582 ( 1.858 0.000 0.036) 1.858 2.635 ( -0.324 0.000 -1.439) 1.475 2.682 ( -0.104 0.000 -2.700) 2.702 2.690 ( -0.968 0.000 2.559) 2.736 2.716 ( -0.216 0.000 -2.000) 2.012 2.751 ( -0.791 0.000 -0.748) 1.088 2.804 ( -1.323 0.000 2.200) 2.567 2.881 ( 1.518 0.000 -0.262) 1.541 2.908 ( 0.270 0.000 2.253) 2.269 2.933 ( 0.777 0.000 1.921) 2.072 2.959 ( -3.102 0.000 1.189) 3.322 2.971 ( 0.279 0.000 1.733) 1.755 3.041 ( -0.009 0.000 -0.364) 0.364 3.042 ( 0.133 0.000 1.639) 1.644 3.101 ( 1.447 0.000 -2.380) 2.785 3.134 ( 0.339 0.000 3.894) 3.909 3.155 ( 0.492 0.000 -0.871) 1.000 3.201 ( -0.929 0.000 0.119) 0.937 3.236 ( -0.570 0.000 -1.285) 1.406 3.286 ( 0.545 0.000 2.021) 2.093 3.304 ( -1.291 0.000 2.570) 2.876 3.417 ( -0.196 0.000 -1.105) 1.123 3.554 ( -2.335 0.000 -2.549) 3.456 3.572 ( -0.240 0.000 1.128) 1.153 3.601 ( -0.077 0.000 0.296) 0.306 3.624 ( -0.433 0.000 0.241) 0.496 3.645 ( -0.567 0.000 0.278) 0.631 3.654 ( 0.373 0.000 -0.404) 0.549 3.680 ( 0.269 0.000 -0.641) 0.695 3.777 ( -0.171 0.000 0.417) 0.451 3.780 ( 0.587 0.000 0.310) 0.664 3.799 ( -0.079 0.000 0.231) 0.244 3.859 ( -2.475 0.000 -1.231) 2.765 5.251 ( -0.095 0.000 0.058) 0.111 5.261 ( -0.037 0.000 -0.175) 0.179 5.344 ( -0.054 0.000 0.030) 0.062 5.346 ( -0.036 0.000 -0.017) 0.039 5.663 ( 0.090 0.000 0.124) 0.153 5.677 ( -0.058 0.000 -0.212) 0.220 5.959 ( 0.083 0.000 0.029) 0.088 5.961 ( -0.088 0.000 -0.036) 0.095 6.934 ( 0.064 0.000 0.184) 0.195 6.947 ( 0.419 0.000 0.201) 0.465 6.950 ( -0.070 0.000 -0.175) 0.189 6.960 ( -0.149 0.000 -0.113) 0.187 7.350 ( -0.144 0.000 0.019) 0.145 7.355 ( 0.115 0.000 -0.119) 0.166 7.387 ( 0.024 0.000 0.426) 0.426 7.401 ( -0.067 0.000 0.128) 0.144 7.596 ( 0.003 0.000 0.045) 0.045 7.601 ( -0.026 0.000 -0.064) 0.069 7.636 ( -0.135 0.000 -0.254) 0.288 7.643 ( 0.051 0.000 -0.324) 0.328 7.950 ( 0.118 0.000 0.113) 0.163 7.959 ( -0.085 0.000 -0.103) 0.133 8.167 ( -0.268 0.000 -0.253) 0.368 8.170 ( 1.051 0.000 -0.346) 1.106 8.263 ( -0.071 0.000 -0.004) 0.071 8.263 ( 0.074 0.000 -0.015) 0.075 8.464 ( 3.402 0.000 0.241) 3.410 8.486 ( -0.986 0.000 -0.268) 1.022 ======================= Grid point 22 (10/32) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 0.041 0.000 11.155) 11.155 0.479 ( 10.652 0.000 7.708) 13.148 0.765 ( 2.045 0.000 9.074) 9.301 0.797 ( 5.041 0.000 0.840) 5.111 0.886 ( 0.687 0.000 2.277) 2.378 0.924 ( 4.288 0.000 8.096) 9.161 0.939 ( 7.420 0.000 3.943) 8.403 0.986 ( 5.872 0.000 0.085) 5.873 1.007 ( 1.874 0.000 -1.493) 2.396 1.093 ( 2.582 0.000 -0.241) 2.594 1.123 ( 2.391 0.000 0.922) 2.562 1.214 ( 1.815 0.000 2.470) 3.065 1.240 ( 1.091 0.000 1.549) 1.895 1.264 ( 1.967 0.000 0.323) 1.993 1.288 ( 2.225 0.000 -0.266) 2.241 1.352 ( 0.718 0.000 -2.227) 2.339 1.398 ( 0.764 0.000 2.669) 2.777 1.426 ( -3.215 0.000 -1.258) 3.453 1.427 ( -2.953 0.000 -0.756) 3.048 1.448 ( 3.053 0.000 -4.410) 5.363 1.500 ( -3.055 0.000 3.883) 4.941 1.526 ( 0.072 0.000 -1.978) 1.979 1.541 ( 0.239 0.000 0.787) 0.823 1.556 ( -0.341 0.000 -2.953) 2.972 1.579 ( -2.385 0.000 -2.857) 3.722 1.636 ( 1.192 0.000 2.328) 2.615 1.661 ( 4.838 0.000 1.236) 4.993 1.663 ( -0.731 0.000 0.153) 0.747 1.692 ( -0.647 0.000 -1.493) 1.627 1.729 ( -1.617 0.000 -2.946) 3.361 1.740 ( 0.508 0.000 -2.465) 2.517 1.765 ( 0.271 0.000 1.187) 1.218 1.782 ( 1.762 0.000 -0.062) 1.763 1.798 ( -1.031 0.000 -2.840) 3.022 1.875 ( -0.343 0.000 -5.961) 5.971 1.879 ( 0.459 0.000 -3.835) 3.862 1.884 ( -1.953 0.000 -0.156) 1.959 1.937 ( 1.149 0.000 0.413) 1.220 1.943 ( -4.567 0.000 -2.561) 5.236 1.945 ( 1.381 0.000 1.795) 2.265 2.039 ( -1.994 0.000 2.918) 3.534 2.074 ( -2.507 0.000 -0.169) 2.513 2.098 ( -0.151 0.000 -2.327) 2.332 2.101 ( -0.111 0.000 1.823) 1.827 2.123 ( 2.445 0.000 -0.555) 2.507 2.126 ( 0.529 0.000 -1.537) 1.626 2.154 ( 0.045 0.000 -0.914) 0.915 2.189 ( 0.855 0.000 -1.980) 2.157 2.226 ( -0.846 0.000 3.421) 3.524 2.244 ( -0.221 0.000 0.878) 0.905 2.273 ( -0.096 0.000 -0.867) 0.872 2.301 ( 0.890 0.000 -2.390) 2.550 2.348 ( -0.347 0.000 2.006) 2.036 2.386 ( 2.444 0.000 -1.786) 3.027 2.413 ( -4.061 0.000 0.746) 4.129 2.428 ( 0.299 0.000 -3.659) 3.671 2.499 ( -0.318 0.000 0.854) 0.911 2.501 ( -1.016 0.000 0.309) 1.062 2.555 ( -0.338 0.000 1.060) 1.113 2.593 ( -0.322 0.000 -0.309) 0.447 2.625 ( -1.281 0.000 -3.353) 3.590 2.654 ( 3.706 0.000 -0.109) 3.708 2.703 ( 1.169 0.000 -4.865) 5.003 2.714 ( 1.430 0.000 -1.382) 1.988 2.759 ( 0.560 0.000 4.714) 4.747 2.810 ( 0.177 0.000 -0.309) 0.356 2.882 ( -1.470 0.000 0.383) 1.519 2.936 ( -1.837 0.000 4.305) 4.680 2.938 ( 0.026 0.000 0.779) 0.779 2.950 ( 1.142 0.000 -0.410) 1.214 2.998 ( -0.203 0.000 1.968) 1.978 3.039 ( -1.628 0.000 0.261) 1.649 3.051 ( 0.752 0.000 0.809) 1.104 3.109 ( 1.756 0.000 -2.314) 2.905 3.149 ( -1.049 0.000 0.579) 1.198 3.168 ( 1.390 0.000 0.090) 1.393 3.196 ( 0.094 0.000 0.428) 0.438 3.223 ( 0.498 0.000 -0.347) 0.607 3.308 ( -1.303 0.000 2.770) 3.061 3.310 ( -1.400 0.000 3.044) 3.351 3.383 ( -10.299 0.000 1.154) 10.363 3.399 ( -0.362 0.000 -1.096) 1.154 3.570 ( -0.877 0.000 0.771) 1.168 3.584 ( -2.366 0.000 0.873) 2.521 3.605 ( -0.115 0.000 0.241) 0.266 3.651 ( 0.006 0.000 -0.740) 0.740 3.651 ( -0.158 0.000 0.066) 0.171 3.678 ( -0.085 0.000 -0.147) 0.170 3.775 ( -0.011 0.000 0.143) 0.144 3.793 ( -0.193 0.000 -0.200) 0.279 3.811 ( 1.116 0.000 0.862) 1.410 3.824 ( 0.093 0.000 -0.212) 0.231 5.256 ( 0.741 0.000 -0.084) 0.745 5.257 ( -0.202 0.000 -0.216) 0.296 5.346 ( 0.116 0.000 0.084) 0.144 5.346 ( 0.012 0.000 -0.051) 0.053 5.667 ( 0.197 0.000 0.208) 0.286 5.672 ( -0.158 0.000 -0.302) 0.341 5.958 ( -0.112 0.000 -0.112) 0.159 5.959 ( -0.069 0.000 0.075) 0.102 6.938 ( 0.131 0.000 0.288) 0.317 6.947 ( 0.032 0.000 -0.285) 0.287 6.954 ( -0.264 0.000 -0.230) 0.350 6.958 ( 0.267 0.000 0.023) 0.268 7.350 ( 0.096 0.000 -0.020) 0.098 7.360 ( 0.448 0.000 -0.047) 0.451 7.396 ( 0.093 0.000 0.278) 0.293 7.396 ( -0.477 0.000 0.033) 0.478 7.594 ( -0.266 0.000 0.000) 0.266 7.595 ( -0.364 0.000 -0.056) 0.369 7.628 ( -0.479 0.000 -0.115) 0.493 7.640 ( -0.139 0.000 -0.337) 0.365 7.957 ( 0.447 0.000 0.153) 0.473 7.958 ( 0.097 0.000 -0.174) 0.199 8.145 ( -1.537 0.000 -0.293) 1.565 8.171 ( -0.587 0.000 -0.672) 0.892 8.274 ( 1.172 0.000 -0.060) 1.173 8.278 ( 1.391 0.000 0.004) 1.391 8.470 ( -0.021 0.000 -0.517) 0.518 8.559 ( 4.656 0.000 -2.302) 5.194 ======================= Grid point 23 (11/32) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -0.751 0.000 9.023) 9.054 0.753 ( 9.342 0.000 7.002) 11.675 0.835 ( -0.822 0.000 -1.058) 1.340 0.860 ( 3.090 0.000 -3.954) 5.018 0.964 ( 4.080 0.000 -0.860) 4.170 0.995 ( 6.145 0.000 3.189) 6.923 1.016 ( 4.469 0.000 -4.870) 6.610 1.082 ( 5.440 0.000 -0.430) 5.457 1.147 ( -0.151 0.000 2.643) 2.647 1.186 ( 1.206 0.000 1.159) 1.673 1.206 ( -2.630 0.000 -3.551) 4.419 1.213 ( 0.739 0.000 -1.564) 1.730 1.243 ( 1.602 0.000 10.077) 10.204 1.283 ( -0.812 0.000 0.483) 0.945 1.301 ( -0.938 0.000 0.633) 1.132 1.318 ( -0.388 0.000 -2.634) 2.663 1.354 ( -2.937 0.000 1.731) 3.409 1.397 ( 3.104 0.000 1.194) 3.326 1.425 ( -3.314 0.000 -1.180) 3.518 1.438 ( 0.091 0.000 -0.760) 0.765 1.474 ( 1.851 0.000 -1.217) 2.215 1.487 ( -4.597 0.000 -0.344) 4.609 1.501 ( 1.110 0.000 -2.442) 2.683 1.534 ( 0.671 0.000 -2.014) 2.123 1.577 ( -0.367 0.000 4.102) 4.118 1.613 ( -0.529 0.000 0.403) 0.664 1.648 ( -1.838 0.000 -0.429) 1.887 1.686 ( 1.729 0.000 -2.537) 3.070 1.714 ( -1.939 0.000 1.363) 2.370 1.719 ( 0.530 0.000 -0.165) 0.555 1.733 ( 0.417 0.000 -5.012) 5.029 1.763 ( 3.052 0.000 0.138) 3.055 1.800 ( 0.690 0.000 -0.415) 0.805 1.838 ( 0.713 0.000 -3.614) 3.684 1.859 ( 4.248 0.000 0.129) 4.250 1.871 ( 2.597 0.000 0.965) 2.770 1.881 ( 1.636 0.000 1.267) 2.069 1.903 ( 2.277 0.000 -1.559) 2.759 1.969 ( 0.220 0.000 -0.958) 0.983 2.015 ( -0.996 0.000 -1.426) 1.740 2.023 ( -0.286 0.000 1.875) 1.897 2.034 ( -0.597 0.000 0.550) 0.812 2.041 ( 0.262 0.000 -0.569) 0.627 2.102 ( -2.166 0.000 3.429) 4.056 2.131 ( 0.095 0.000 1.266) 1.270 2.140 ( 0.060 0.000 -0.908) 0.910 2.196 ( 1.033 0.000 -1.348) 1.698 2.214 ( 3.634 0.000 1.518) 3.938 2.236 ( -1.501 0.000 1.073) 1.845 2.247 ( -0.476 0.000 2.215) 2.266 2.264 ( 1.731 0.000 -3.349) 3.770 2.289 ( -1.476 0.000 2.588) 2.979 2.333 ( -3.617 0.000 -3.434) 4.987 2.359 ( -2.218 0.000 -1.236) 2.539 2.376 ( -1.168 0.000 2.731) 2.970 2.382 ( -2.081 0.000 0.521) 2.145 2.461 ( -2.648 0.000 0.086) 2.649 2.478 ( 2.098 0.000 -2.274) 3.094 2.538 ( -0.536 0.000 -4.472) 4.504 2.564 ( 0.842 0.000 -0.441) 0.950 2.665 ( 2.602 0.000 2.197) 3.405 2.672 ( 0.600 0.000 -3.525) 3.576 2.708 ( 1.221 0.000 0.345) 1.269 2.712 ( -0.458 0.000 -0.641) 0.788 2.796 ( -0.293 0.000 -1.558) 1.585 2.817 ( 0.907 0.000 3.172) 3.299 2.874 ( -1.547 0.000 2.978) 3.356 2.908 ( -5.269 0.000 2.988) 6.057 2.930 ( -1.082 0.000 -0.664) 1.269 2.963 ( 0.508 0.000 -0.391) 0.641 3.004 ( -0.915 0.000 -0.972) 1.335 3.006 ( 0.531 0.000 0.368) 0.646 3.073 ( -0.400 0.000 1.586) 1.636 3.116 ( 1.706 0.000 -2.721) 3.211 3.121 ( -0.627 0.000 -1.809) 1.915 3.192 ( 0.236 0.000 -0.036) 0.239 3.210 ( 0.697 0.000 0.779) 1.045 3.246 ( 1.211 0.000 0.379) 1.269 3.254 ( -3.582 0.000 0.566) 3.627 3.291 ( -2.396 0.000 1.317) 2.734 3.314 ( -1.748 0.000 2.898) 3.384 3.389 ( 0.201 0.000 -0.389) 0.438 3.550 ( -1.627 0.000 0.309) 1.656 3.561 ( -0.619 0.000 0.415) 0.746 3.605 ( -0.159 0.000 0.145) 0.215 3.641 ( 0.099 0.000 -1.264) 1.267 3.647 ( -0.257 0.000 0.063) 0.265 3.674 ( -0.321 0.000 0.177) 0.366 3.776 ( -0.018 0.000 0.080) 0.082 3.784 ( -0.324 0.000 -0.221) 0.392 3.833 ( 0.783 0.000 -0.209) 0.810 3.834 ( 0.580 0.000 0.382) 0.695 5.253 ( 0.006 0.000 -0.087) 0.087 5.272 ( 0.902 0.000 -0.149) 0.914 5.345 ( -0.027 0.000 -0.036) 0.045 5.348 ( 0.074 0.000 0.045) 0.087 5.668 ( -0.051 0.000 -0.154) 0.162 5.672 ( 0.057 0.000 0.133) 0.145 5.956 ( -0.016 0.000 -0.093) 0.094 5.958 ( -0.137 0.000 0.042) 0.143 6.944 ( 0.166 0.000 0.321) 0.361 6.945 ( 0.150 0.000 -0.342) 0.373 6.947 ( -0.292 0.000 -0.202) 0.356 6.959 ( -0.138 0.000 0.143) 0.199 7.353 ( 0.248 0.000 0.064) 0.256 7.368 ( 0.412 0.000 -0.059) 0.416 7.387 ( -0.485 0.000 0.017) 0.485 7.395 ( -0.269 0.000 0.050) 0.274 7.589 ( -0.131 0.000 -0.103) 0.167 7.590 ( -0.181 0.000 0.018) 0.182 7.618 ( -0.609 0.000 0.242) 0.655 7.631 ( -0.310 0.000 -0.210) 0.374 7.959 ( 0.217 0.000 -0.084) 0.232 7.966 ( 0.322 0.000 0.063) 0.328 8.117 ( -1.152 0.000 0.134) 1.160 8.151 ( -0.726 0.000 -0.353) 0.807 8.297 ( 1.109 0.000 -0.054) 1.111 8.305 ( 1.228 0.000 -0.030) 1.228 8.477 ( 0.579 0.000 0.554) 0.801 8.594 ( 1.711 0.000 -1.444) 2.239 ======================= Grid point 24 (12/32) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.459 0.000 8.551) 9.644 0.674 ( -9.643 0.000 -4.963) 10.845 0.842 ( 0.464 0.000 -6.096) 6.114 0.953 ( 0.950 0.000 3.520) 3.646 0.981 ( -4.498 0.000 -3.724) 5.840 1.003 ( 0.975 0.000 -3.113) 3.263 1.037 ( -1.385 0.000 -2.110) 2.524 1.081 ( -6.314 0.000 -3.301) 7.125 1.156 ( 5.528 0.000 -0.195) 5.531 1.185 ( 3.669 0.000 -0.578) 3.714 1.196 ( -5.920 0.000 0.179) 5.923 1.199 ( 3.208 0.000 2.508) 4.072 1.256 ( -0.155 0.000 -1.887) 1.893 1.293 ( 2.665 0.000 -0.842) 2.795 1.304 ( 1.299 0.000 -0.065) 1.301 1.339 ( -3.109 0.000 -2.899) 4.251 1.360 ( -2.741 0.000 3.570) 4.501 1.381 ( 0.288 0.000 6.268) 6.274 1.402 ( -0.388 0.000 -0.142) 0.413 1.447 ( -0.082 0.000 1.080) 1.083 1.493 ( 0.828 0.000 4.497) 4.573 1.494 ( 1.245 0.000 -3.062) 3.305 1.515 ( 4.415 0.000 0.430) 4.436 1.566 ( -4.022 0.000 2.507) 4.740 1.568 ( 1.825 0.000 2.784) 3.329 1.632 ( 1.928 0.000 0.442) 1.978 1.639 ( -0.768 0.000 -0.067) 0.771 1.683 ( 1.137 0.000 0.377) 1.198 1.692 ( -1.788 0.000 1.447) 2.300 1.706 ( 1.625 0.000 0.382) 1.670 1.793 ( 2.988 0.000 -0.419) 3.018 1.818 ( -1.015 0.000 -1.442) 1.764 1.819 ( 1.197 0.000 -0.583) 1.332 1.828 ( 2.378 0.000 0.782) 2.504 1.870 ( 0.600 0.000 -1.786) 1.885 1.876 ( 0.123 0.000 -0.787) 0.796 1.914 ( -2.072 0.000 -6.171) 6.509 1.924 ( -1.121 0.000 -2.295) 2.554 1.952 ( 3.010 0.000 -2.095) 3.667 1.961 ( 2.101 0.000 1.286) 2.463 2.010 ( -2.851 0.000 -0.939) 3.002 2.044 ( -5.916 0.000 1.417) 6.083 2.059 ( 2.532 0.000 -0.136) 2.536 2.081 ( 1.237 0.000 1.034) 1.612 2.121 ( -0.828 0.000 -0.026) 0.829 2.171 ( -0.689 0.000 1.636) 1.775 2.174 ( -1.070 0.000 -0.529) 1.194 2.202 ( -1.909 0.000 -0.155) 1.916 2.214 ( 2.056 0.000 1.641) 2.630 2.247 ( -3.154 0.000 -2.324) 3.918 2.260 ( 0.936 0.000 -0.247) 0.968 2.281 ( 0.109 0.000 -1.686) 1.690 2.315 ( 0.300 0.000 -0.721) 0.781 2.357 ( 3.473 0.000 2.152) 4.086 2.401 ( 1.382 0.000 3.739) 3.987 2.415 ( 1.837 0.000 4.043) 4.440 2.436 ( -1.028 0.000 0.714) 1.252 2.519 ( 2.239 0.000 -2.319) 3.223 2.522 ( 2.809 0.000 -1.230) 3.066 2.575 ( 0.970 0.000 -0.773) 1.241 2.650 ( 0.271 0.000 -3.070) 3.082 2.686 ( -0.290 0.000 -0.724) 0.780 2.710 ( -1.281 0.000 0.988) 1.618 2.723 ( 1.260 0.000 1.040) 1.634 2.774 ( -0.749 0.000 -0.683) 1.013 2.831 ( -2.932 0.000 0.145) 2.936 2.852 ( -0.646 0.000 2.668) 2.745 2.865 ( -2.643 0.000 2.868) 3.900 2.922 ( 0.887 0.000 0.301) 0.936 2.966 ( -0.125 0.000 -0.163) 0.206 2.995 ( 0.829 0.000 -1.022) 1.316 3.004 ( -0.976 0.000 -0.871) 1.308 3.058 ( -1.734 0.000 0.712) 1.875 3.110 ( 1.042 0.000 -1.901) 2.168 3.117 ( 1.590 0.000 -3.046) 3.436 3.167 ( -1.012 0.000 -1.590) 1.884 3.228 ( 0.208 0.000 1.307) 1.324 3.239 ( -0.175 0.000 0.052) 0.183 3.244 ( -0.659 0.000 -0.830) 1.060 3.279 ( -0.375 0.000 0.925) 0.998 3.307 ( -2.062 0.000 3.179) 3.789 3.396 ( 0.569 0.000 0.185) 0.599 3.539 ( 0.073 0.000 0.511) 0.516 3.554 ( -0.384 0.000 0.055) 0.388 3.601 ( -0.227 0.000 -0.113) 0.254 3.634 ( 0.524 0.000 -1.239) 1.346 3.644 ( -0.099 0.000 0.044) 0.108 3.670 ( -0.094 0.000 -0.127) 0.158 3.779 ( 0.115 0.000 0.279) 0.302 3.783 ( 0.251 0.000 0.107) 0.272 3.839 ( -0.323 0.000 0.026) 0.324 3.841 ( 0.127 0.000 -0.088) 0.155 5.257 ( 0.192 0.000 0.305) 0.361 5.281 ( 0.200 0.000 -0.159) 0.256 5.345 ( 0.066 0.000 0.035) 0.075 5.348 ( -0.066 0.000 -0.038) 0.076 5.668 ( 0.181 0.000 0.046) 0.187 5.671 ( -0.154 0.000 -0.037) 0.158 5.956 ( -0.063 0.000 -0.007) 0.063 5.956 ( 0.119 0.000 -0.008) 0.119 6.940 ( -0.256 0.000 -0.176) 0.311 6.946 ( 0.315 0.000 -0.319) 0.448 6.951 ( 0.181 0.000 0.304) 0.354 6.957 ( -0.184 0.000 0.146) 0.235 7.358 ( 0.037 0.000 0.181) 0.185 7.371 ( 0.003 0.000 -0.120) 0.120 7.382 ( -0.044 0.000 0.032) 0.054 7.390 ( -0.112 0.000 -0.163) 0.198 7.588 ( -0.057 0.000 -0.003) 0.057 7.589 ( 0.212 0.000 -0.043) 0.216 7.613 ( -0.179 0.000 0.379) 0.419 7.630 ( 0.283 0.000 0.003) 0.283 7.963 ( 0.127 0.000 0.085) 0.153 7.969 ( -0.089 0.000 -0.048) 0.101 8.110 ( 0.087 0.000 0.493) 0.500 8.143 ( 0.258 0.000 -0.271) 0.374 8.308 ( 0.079 0.000 0.019) 0.081 8.316 ( -0.050 0.000 -0.148) 0.156 8.493 ( -0.046 0.000 1.376) 1.377 8.607 ( 1.154 0.000 -1.054) 1.563 ======================= Grid point 25 (13/32) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -12.003 0.000 -4.706) 12.892 0.430 ( -9.148 0.000 8.605) 12.559 0.762 ( -2.782 0.000 -2.648) 3.840 0.817 ( -15.536 0.000 1.264) 15.587 0.884 ( -6.824 0.000 -0.084) 6.825 0.926 ( -5.183 0.000 3.083) 6.031 0.949 ( -2.129 0.000 -2.905) 3.602 1.061 ( 0.928 0.000 -2.110) 2.305 1.095 ( -4.116 0.000 1.391) 4.344 1.162 ( -1.331 0.000 -0.431) 1.399 1.166 ( -3.186 0.000 -2.815) 4.252 1.226 ( -1.895 0.000 -2.584) 3.204 1.244 ( -1.062 0.000 -4.109) 4.244 1.294 ( -0.420 0.000 -1.987) 2.030 1.316 ( 1.177 0.000 -2.048) 2.363 1.320 ( 0.472 0.000 1.769) 1.831 1.365 ( -0.234 0.000 0.441) 0.499 1.416 ( -0.250 0.000 3.436) 3.445 1.435 ( 0.454 0.000 4.850) 4.872 1.477 ( 2.630 0.000 -0.421) 2.663 1.499 ( 1.513 0.000 -2.136) 2.618 1.502 ( -3.175 0.000 4.351) 5.386 1.582 ( 0.494 0.000 1.055) 1.165 1.587 ( -1.872 0.000 -1.399) 2.337 1.617 ( -0.696 0.000 -0.872) 1.116 1.622 ( 1.920 0.000 0.564) 2.001 1.628 ( 2.367 0.000 0.922) 2.541 1.667 ( -0.563 0.000 -0.905) 1.066 1.709 ( -1.064 0.000 1.895) 2.173 1.732 ( 0.549 0.000 0.080) 0.555 1.776 ( -3.571 0.000 -2.019) 4.102 1.787 ( 1.538 0.000 -0.484) 1.612 1.816 ( 1.525 0.000 -2.459) 2.893 1.828 ( -2.239 0.000 -1.342) 2.610 1.858 ( 1.392 0.000 -1.497) 2.044 1.877 ( -0.672 0.000 2.549) 2.636 1.879 ( 1.436 0.000 2.183) 2.613 1.917 ( 2.279 0.000 -0.296) 2.298 1.950 ( -0.531 0.000 0.409) 0.671 1.998 ( 2.381 0.000 0.386) 2.412 2.005 ( 1.651 0.000 -0.991) 1.926 2.053 ( 3.844 0.000 -0.393) 3.864 2.087 ( -0.441 0.000 0.240) 0.502 2.124 ( 0.237 0.000 1.103) 1.128 2.132 ( 1.146 0.000 0.893) 1.453 2.160 ( -0.727 0.000 0.004) 0.727 2.175 ( 3.873 0.000 0.709) 3.937 2.182 ( 1.478 0.000 -1.000) 1.784 2.199 ( -0.719 0.000 -0.166) 0.738 2.248 ( -0.553 0.000 1.434) 1.537 2.286 ( -0.151 0.000 1.914) 1.920 2.295 ( 0.204 0.000 -1.800) 1.811 2.317 ( 2.495 0.000 1.915) 3.145 2.395 ( 0.930 0.000 -1.580) 1.833 2.410 ( -1.715 0.000 -0.901) 1.937 2.465 ( 1.843 0.000 0.427) 1.892 2.472 ( 0.939 0.000 0.057) 0.940 2.517 ( 0.420 0.000 -3.394) 3.420 2.553 ( 0.363 0.000 0.327) 0.489 2.569 ( 0.391 0.000 -4.322) 4.340 2.618 ( -1.256 0.000 0.109) 1.261 2.685 ( 0.721 0.000 -0.388) 0.819 2.704 ( -0.937 0.000 2.410) 2.586 2.738 ( 0.644 0.000 -2.303) 2.391 2.802 ( -0.335 0.000 -0.501) 0.603 2.803 ( 2.586 0.000 4.076) 4.828 2.847 ( -1.914 0.000 2.577) 3.210 2.866 ( -1.128 0.000 2.795) 3.014 2.935 ( -0.095 0.000 -0.732) 0.738 2.947 ( -0.773 0.000 -1.199) 1.427 2.972 ( -1.475 0.000 -0.680) 1.624 3.007 ( 0.894 0.000 0.136) 0.904 3.034 ( -0.742 0.000 0.334) 0.814 3.103 ( 0.041 0.000 -1.956) 1.957 3.120 ( 1.990 0.000 -3.558) 4.076 3.144 ( 0.369 0.000 -1.010) 1.075 3.225 ( -0.692 0.000 -0.538) 0.876 3.238 ( 0.360 0.000 0.330) 0.489 3.257 ( 0.806 0.000 3.577) 3.667 3.277 ( -0.338 0.000 -0.036) 0.340 3.306 ( -1.501 0.000 3.034) 3.385 3.412 ( 0.804 0.000 0.185) 0.825 3.551 ( 0.076 0.000 -0.023) 0.080 3.558 ( 1.066 0.000 0.669) 1.258 3.597 ( -0.028 0.000 -0.204) 0.206 3.635 ( 0.725 0.000 -0.858) 1.124 3.644 ( -0.051 0.000 0.061) 0.080 3.671 ( 0.529 0.000 -0.373) 0.647 3.782 ( -0.158 0.000 0.135) 0.208 3.789 ( 0.278 0.000 -0.066) 0.285 3.823 ( -1.292 0.000 -0.076) 1.294 3.835 ( -0.643 0.000 0.078) 0.647 5.262 ( 0.006 0.000 0.304) 0.304 5.274 ( -0.673 0.000 -0.370) 0.768 5.346 ( -0.095 0.000 -0.045) 0.105 5.347 ( 0.055 0.000 0.063) 0.083 5.667 ( -0.233 0.000 -0.110) 0.258 5.674 ( 0.296 0.000 0.111) 0.316 5.955 ( 0.046 0.000 -0.059) 0.075 5.959 ( 0.140 0.000 0.016) 0.141 6.935 ( -0.142 0.000 -0.098) 0.172 6.950 ( 0.352 0.000 -0.213) 0.411 6.956 ( -0.019 0.000 0.034) 0.039 6.957 ( 0.182 0.000 0.230) 0.293 7.357 ( -0.274 0.000 0.223) 0.354 7.366 ( -0.343 0.000 -0.172) 0.384 7.387 ( 0.442 0.000 0.080) 0.449 7.389 ( 0.190 0.000 -0.140) 0.236 7.589 ( 0.254 0.000 -0.047) 0.259 7.592 ( 0.103 0.000 0.024) 0.106 7.621 ( 0.625 0.000 0.264) 0.678 7.639 ( 0.543 0.000 -0.029) 0.543 7.962 ( -0.459 0.000 -0.123) 0.476 7.964 ( -0.101 0.000 0.126) 0.162 8.128 ( 1.241 0.000 0.487) 1.333 8.156 ( 1.439 0.000 -0.357) 1.482 8.299 ( -1.040 0.000 0.082) 1.043 8.301 ( -1.186 0.000 -0.194) 1.201 8.502 ( -0.543 0.000 1.482) 1.579 8.618 ( 1.331 0.000 -1.611) 2.090 ======================= Grid point 26 (14/32) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -6.922 0.000 12.264) 14.082 0.318 ( -11.813 0.000 9.786) 15.340 0.524 ( -19.931 0.000 11.972) 23.250 0.715 ( -1.148 0.000 -0.683) 1.336 0.768 ( -4.091 0.000 1.807) 4.472 0.836 ( -8.394 0.000 3.743) 9.190 0.900 ( -3.585 0.000 2.651) 4.459 1.014 ( -0.685 0.000 -5.380) 5.424 1.066 ( -0.052 0.000 1.573) 1.574 1.125 ( -3.438 0.000 0.065) 3.439 1.135 ( -1.721 0.000 -3.506) 3.905 1.151 ( -0.048 0.000 0.236) 0.241 1.166 ( -2.102 0.000 -3.403) 4.000 1.266 ( -0.589 0.000 -0.693) 0.909 1.307 ( -3.198 0.000 0.464) 3.231 1.313 ( -1.438 0.000 -0.841) 1.666 1.331 ( 1.111 0.000 0.106) 1.116 1.419 ( -0.377 0.000 -2.242) 2.274 1.450 ( -2.447 0.000 1.792) 3.033 1.487 ( -0.783 0.000 -0.135) 0.795 1.495 ( 0.411 0.000 0.551) 0.687 1.514 ( -0.561 0.000 3.705) 3.747 1.561 ( 1.575 0.000 -1.847) 2.428 1.584 ( 1.195 0.000 -0.467) 1.283 1.609 ( -3.226 0.000 0.719) 3.305 1.646 ( -0.048 0.000 -0.160) 0.167 1.654 ( -0.747 0.000 0.653) 0.993 1.670 ( 1.790 0.000 -0.055) 1.791 1.684 ( 0.842 0.000 -1.155) 1.429 1.718 ( 0.150 0.000 -3.262) 3.265 1.781 ( 1.481 0.000 -0.391) 1.532 1.790 ( 0.172 0.000 -0.252) 0.305 1.794 ( 1.436 0.000 -2.391) 2.789 1.811 ( -0.056 0.000 -1.582) 1.583 1.913 ( -0.428 0.000 0.951) 1.043 1.920 ( 2.593 0.000 0.316) 2.612 1.947 ( 2.870 0.000 0.314) 2.887 1.958 ( 2.984 0.000 2.829) 4.111 1.969 ( 0.328 0.000 3.354) 3.370 1.988 ( 0.053 0.000 -3.160) 3.161 2.042 ( 1.377 0.000 0.645) 1.521 2.057 ( -1.847 0.000 -2.506) 3.114 2.106 ( 3.126 0.000 -3.247) 4.507 2.132 ( 0.319 0.000 -0.342) 0.467 2.151 ( 0.994 0.000 0.860) 1.315 2.152 ( -1.097 0.000 2.291) 2.540 2.186 ( 0.470 0.000 -0.650) 0.802 2.212 ( 1.202 0.000 -0.333) 1.248 2.223 ( -3.330 0.000 0.427) 3.358 2.276 ( -1.025 0.000 0.832) 1.320 2.317 ( 5.837 0.000 -1.542) 6.037 2.321 ( -0.157 0.000 3.892) 3.895 2.347 ( -2.501 0.000 1.073) 2.721 2.360 ( -2.186 0.000 -3.322) 3.976 2.380 ( 3.997 0.000 -4.152) 5.763 2.435 ( -1.652 0.000 -1.731) 2.392 2.473 ( 1.351 0.000 -2.145) 2.535 2.504 ( -0.128 0.000 -2.409) 2.412 2.509 ( -0.635 0.000 -5.197) 5.236 2.559 ( 1.601 0.000 -1.178) 1.987 2.622 ( 0.382 0.000 1.430) 1.480 2.684 ( 0.613 0.000 -1.812) 1.913 2.714 ( -2.644 0.000 4.641) 5.342 2.730 ( -0.154 0.000 0.261) 0.303 2.779 ( -0.996 0.000 -2.102) 2.326 2.827 ( -3.102 0.000 2.831) 4.200 2.879 ( -0.585 0.000 4.423) 4.461 2.890 ( -0.691 0.000 -0.091) 0.697 2.917 ( -0.033 0.000 -2.445) 2.445 2.931 ( 2.961 0.000 2.676) 3.991 2.957 ( -0.067 0.000 0.858) 0.861 3.029 ( 0.747 0.000 0.241) 0.785 3.048 ( 0.604 0.000 0.171) 0.628 3.087 ( -0.144 0.000 1.596) 1.603 3.107 ( 0.847 0.000 -3.198) 3.309 3.155 ( 0.702 0.000 -0.519) 0.873 3.214 ( -0.260 0.000 0.085) 0.274 3.251 ( 0.274 0.000 -0.041) 0.278 3.269 ( -0.096 0.000 -0.012) 0.097 3.305 ( -1.455 0.000 2.597) 2.977 3.373 ( 7.557 0.000 9.279) 11.966 3.423 ( 0.446 0.000 -0.495) 0.666 3.559 ( 0.449 0.000 0.612) 0.759 3.582 ( 0.788 0.000 0.437) 0.901 3.599 ( 0.252 0.000 0.227) 0.340 3.644 ( 0.939 0.000 -0.445) 1.039 3.645 ( 0.016 0.000 0.635) 0.635 3.678 ( 0.616 0.000 -0.579) 0.845 3.776 ( -0.341 0.000 -0.024) 0.342 3.785 ( -0.593 0.000 -0.415) 0.723 3.801 ( -0.647 0.000 0.253) 0.695 3.828 ( -0.051 0.000 1.060) 1.061 5.255 ( -0.629 0.000 -0.432) 0.763 5.263 ( -0.037 0.000 0.000) 0.037 5.345 ( -0.045 0.000 0.017) 0.047 5.347 ( -0.080 0.000 0.024) 0.084 5.662 ( -0.114 0.000 -0.026) 0.117 5.679 ( 0.154 0.000 -0.050) 0.162 5.956 ( 0.124 0.000 -0.049) 0.134 5.961 ( 0.067 0.000 -0.011) 0.068 6.933 ( -0.030 0.000 0.040) 0.050 6.951 ( -0.023 0.000 -0.158) 0.159 6.957 ( 0.059 0.000 -0.427) 0.431 6.961 ( 0.068 0.000 0.085) 0.109 7.354 ( -0.291 0.000 0.143) 0.324 7.358 ( -0.261 0.000 -0.175) 0.314 7.392 ( 0.147 0.000 -0.134) 0.200 7.396 ( 0.394 0.000 0.147) 0.420 7.594 ( 0.121 0.000 0.005) 0.121 7.596 ( 0.472 0.000 -0.069) 0.477 7.634 ( 0.488 0.000 0.016) 0.488 7.644 ( 0.179 0.000 -0.214) 0.279 7.952 ( -0.391 0.000 -0.060) 0.396 7.962 ( -0.190 0.000 0.033) 0.193 8.157 ( 1.243 0.000 0.146) 1.252 8.179 ( 1.212 0.000 -1.141) 1.664 8.276 ( -1.205 0.000 -0.138) 1.213 8.277 ( -1.268 0.000 0.055) 1.269 8.501 ( -0.867 0.000 0.864) 1.224 8.590 ( -2.353 0.000 -6.807) 7.202 ======================= Grid point 27 (15/32) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -0.479 5.908 10.913) 12.419 0.487 ( -0.311 0.571 9.444) 9.467 0.609 ( 0.809 -2.709 12.238) 12.560 0.716 ( 1.622 -1.311 2.200) 3.032 0.795 ( -1.581 -2.630 7.321) 7.938 0.818 ( -0.523 -2.791 2.363) 3.694 0.903 ( -0.355 23.095 6.307) 23.943 1.012 ( -1.079 -1.022 -4.088) 4.349 1.030 ( -2.367 2.956 -2.080) 4.320 1.110 ( 0.128 0.351 1.820) 1.858 1.128 ( 1.936 -0.187 0.178) 1.953 1.150 ( 1.918 4.934 -3.802) 6.518 1.203 ( 2.543 1.207 1.328) 3.112 1.230 ( 0.592 4.373 0.390) 4.430 1.293 ( 0.368 1.721 1.503) 2.314 1.335 ( 0.732 -1.899 -0.154) 2.041 1.360 ( 2.087 -1.476 1.876) 3.171 1.409 ( -0.412 -1.044 0.308) 1.164 1.440 ( -0.333 1.136 1.303) 1.760 1.460 ( 0.823 -0.440 0.554) 1.085 1.484 ( -0.478 -3.485 -0.237) 3.526 1.520 ( -0.215 -1.025 -3.032) 3.208 1.538 ( -0.273 -2.434 -0.213) 2.458 1.556 ( -1.477 -0.754 -0.810) 1.846 1.585 ( -1.152 -2.860 0.712) 3.164 1.624 ( -0.871 -0.872 -2.040) 2.383 1.637 ( -0.337 -1.015 -1.379) 1.745 1.663 ( 0.752 0.839 2.293) 2.554 1.684 ( 0.843 -9.544 1.074) 9.641 1.708 ( 0.530 -0.221 -0.005) 0.575 1.753 ( 1.267 2.156 0.213) 2.509 1.787 ( 1.256 0.616 0.991) 1.714 1.822 ( 1.374 -0.833 1.420) 2.144 1.835 ( -1.229 2.742 -1.286) 3.268 1.876 ( -1.008 -0.096 -3.332) 3.482 1.915 ( 0.542 -0.244 -0.376) 0.704 1.921 ( -0.550 2.089 -2.120) 3.026 1.961 ( -1.495 1.460 -0.612) 2.178 1.972 ( -0.952 -1.544 -2.670) 3.228 1.999 ( 1.566 -1.009 0.587) 1.953 2.014 ( 0.569 -1.961 0.193) 2.051 2.046 ( -1.008 1.909 1.426) 2.587 2.071 ( 0.968 -3.086 -1.637) 3.625 2.082 ( -0.916 -1.117 -2.588) 2.964 2.100 ( -4.757 -2.940 -3.502) 6.598 2.110 ( -1.077 -2.160 1.291) 2.737 2.158 ( 0.135 -0.784 -0.918) 1.215 2.170 ( 0.218 -1.546 -0.936) 1.820 2.213 ( -1.900 1.907 0.259) 2.704 2.263 ( 0.563 -1.515 -0.154) 1.624 2.271 ( 0.478 0.778 -5.316) 5.394 2.312 ( -0.246 -0.689 -3.110) 3.195 2.352 ( -0.395 -1.204 -4.604) 4.775 2.359 ( -0.867 -0.130 -2.255) 2.420 2.387 ( 0.885 2.421 -1.157) 2.825 2.448 ( 1.683 -2.113 -2.006) 3.365 2.487 ( 1.691 2.040 2.504) 3.645 2.508 ( 0.610 0.917 2.302) 2.552 2.541 ( 2.114 1.375 2.198) 3.345 2.575 ( 4.144 -1.290 0.697) 4.396 2.669 ( -1.390 1.508 -0.084) 2.052 2.682 ( -0.212 1.208 0.351) 1.276 2.712 ( -0.614 0.163 0.273) 0.692 2.736 ( -1.427 -0.521 0.240) 1.538 2.759 ( -0.222 2.455 0.071) 2.466 2.799 ( -1.825 -0.853 2.933) 3.559 2.870 ( 0.208 -0.300 2.615) 2.640 2.897 ( -1.503 -2.490 2.194) 3.644 2.949 ( 0.977 2.341 -1.951) 3.200 2.960 ( -0.519 1.154 0.299) 1.300 2.986 ( 0.184 -1.358 2.189) 2.582 3.006 ( 1.527 -1.501 -0.276) 2.159 3.044 ( -0.074 1.104 0.604) 1.260 3.073 ( 0.270 -1.459 0.527) 1.575 3.142 ( 0.691 0.799 1.100) 1.525 3.166 ( 0.765 -0.531 0.214) 0.956 3.243 ( -0.700 0.410 0.681) 1.059 3.261 ( -1.030 -2.514 2.972) 4.026 3.301 ( -1.011 1.910 0.436) 2.205 3.321 ( -0.345 1.776 -0.741) 1.955 3.348 ( 0.177 5.175 2.138) 5.602 3.410 ( -0.273 1.019 -0.452) 1.147 3.499 ( -0.058 -4.663 1.026) 4.775 3.528 ( 0.006 -5.677 0.166) 5.679 3.619 ( 0.133 1.405 0.516) 1.503 3.650 ( 0.240 -0.627 0.459) 0.813 3.686 ( 0.322 0.492 -0.814) 1.004 3.689 ( -0.156 0.027 -0.555) 0.577 3.762 ( 0.696 -0.557 0.183) 0.910 3.770 ( -0.291 -0.931 0.434) 1.067 3.805 ( 0.100 0.074 -0.125) 0.176 3.822 ( -0.693 -1.406 0.028) 1.568 5.272 ( -0.029 1.630 0.036) 1.631 5.281 ( 0.011 1.428 -0.169) 1.438 5.316 ( -0.019 -1.915 0.054) 1.916 5.320 ( -0.022 -1.759 -0.043) 1.760 5.749 ( 0.079 6.404 0.045) 6.404 5.756 ( -0.058 5.900 -0.123) 5.901 5.894 ( -0.009 -5.180 0.009) 5.180 5.896 ( 0.035 -5.379 -0.038) 5.379 6.940 ( -0.005 0.453 0.072) 0.458 6.945 ( 0.121 -0.057 0.106) 0.171 6.947 ( 0.033 -0.167 -0.101) 0.197 6.953 ( -0.095 -0.562 -0.066) 0.573 7.359 ( -0.026 0.332 0.057) 0.338 7.373 ( -0.110 -0.852 0.315) 0.915 7.383 ( 0.229 0.252 -0.374) 0.506 7.394 ( 0.036 -0.574 0.005) 0.575 7.626 ( 0.045 1.055 0.412) 1.133 7.631 ( 0.097 0.236 0.248) 0.356 7.698 ( -0.097 3.549 -1.242) 3.761 7.776 ( -0.568 -1.841 -4.358) 4.765 8.007 ( 0.152 4.160 0.093) 4.164 8.080 ( -1.852 7.273 -3.801) 8.413 8.108 ( 1.342 -3.183 0.116) 3.457 8.178 ( -0.267 -1.165 -1.757) 2.125 8.311 ( 0.459 3.843 0.136) 3.873 8.349 ( -0.667 4.196 -1.715) 4.582 8.411 ( 2.036 -4.098 0.351) 4.589 8.440 ( -0.745 -3.557 -0.429) 3.659 ======================= Grid point 28 (16/32) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 6.018 4.153 6.115) 9.532 0.582 ( 2.105 1.384 5.597) 6.138 0.758 ( 4.425 3.656 3.658) 6.806 0.801 ( 4.414 -1.539 4.670) 6.608 0.862 ( 0.140 -1.087 6.501) 6.593 0.880 ( 2.212 -2.023 7.023) 7.635 0.989 ( 2.352 -0.361 -2.670) 3.577 1.003 ( 1.920 -0.831 -0.190) 2.100 1.048 ( 3.056 8.156 9.244) 12.701 1.126 ( 2.408 4.278 0.023) 4.910 1.146 ( 2.343 3.346 -4.615) 6.163 1.200 ( 2.859 -1.854 0.722) 3.483 1.233 ( 0.187 -0.277 -0.603) 0.690 1.270 ( 1.548 -0.140 -0.383) 1.601 1.305 ( -0.554 -0.692 0.415) 0.978 1.327 ( -0.299 2.594 -0.684) 2.700 1.384 ( -1.456 -1.126 -0.649) 1.951 1.406 ( 0.314 -0.708 0.124) 0.784 1.450 ( 1.400 0.699 -1.224) 1.987 1.460 ( -1.224 -1.345 -0.868) 2.015 1.474 ( -0.234 0.581 0.785) 1.004 1.510 ( -1.091 -4.538 0.297) 4.677 1.547 ( 1.848 0.222 1.060) 2.142 1.555 ( -0.837 -0.138 -1.675) 1.878 1.569 ( 1.456 -2.601 -2.405) 3.830 1.610 ( 0.004 1.113 0.286) 1.149 1.635 ( 1.271 4.311 0.173) 4.497 1.683 ( 1.403 -2.949 -1.817) 3.737 1.707 ( 2.170 -0.573 2.675) 3.492 1.727 ( 1.561 -1.494 -0.754) 2.288 1.789 ( -1.705 0.563 -0.450) 1.851 1.799 ( 0.140 2.057 0.378) 2.096 1.817 ( -0.980 1.443 0.928) 1.976 1.834 ( -0.941 1.396 0.643) 1.802 1.847 ( 0.185 1.605 -0.635) 1.736 1.873 ( -0.810 -0.044 -4.439) 4.513 1.914 ( 2.067 -2.913 0.901) 3.684 1.920 ( -1.902 0.650 -0.325) 2.036 1.927 ( -0.590 -1.023 -1.107) 1.619 1.958 ( 0.581 -2.357 -1.424) 2.815 1.969 ( -1.893 1.853 -3.567) 4.443 2.032 ( -1.874 -0.094 0.500) 1.942 2.047 ( 0.069 -4.917 -0.801) 4.983 2.078 ( 0.740 -2.767 1.035) 3.046 2.096 ( 2.838 -0.543 -0.461) 2.926 2.131 ( 0.232 -0.798 -0.029) 0.831 2.141 ( 0.454 1.209 -1.651) 2.096 2.182 ( -0.071 -1.869 0.867) 2.062 2.220 ( 1.550 0.047 1.404) 2.092 2.238 ( 1.395 0.111 -2.650) 2.997 2.266 ( -0.836 -0.545 -1.336) 1.668 2.281 ( -1.253 -2.239 0.542) 2.623 2.308 ( 1.919 -1.641 -5.744) 6.275 2.325 ( -1.050 -1.752 -0.510) 2.105 2.393 ( 1.252 1.232 -2.055) 2.704 2.433 ( -0.551 -2.225 -2.847) 3.655 2.496 ( -3.787 2.176 1.754) 4.707 2.537 ( -2.055 -0.917 1.672) 2.804 2.558 ( -0.887 3.917 0.726) 4.082 2.625 ( -0.766 0.336 0.939) 1.258 2.662 ( 0.781 1.324 -0.799) 1.732 2.670 ( 0.443 -0.286 -0.978) 1.111 2.694 ( -0.244 0.389 -1.518) 1.585 2.704 ( -0.805 -0.116 -0.097) 0.819 2.773 ( 0.290 1.317 0.709) 1.523 2.813 ( -0.422 -2.304 3.163) 3.936 2.880 ( -1.521 0.101 1.697) 2.281 2.898 ( -0.636 -0.819 2.606) 2.805 2.949 ( -0.952 0.274 0.338) 1.047 2.955 ( -0.062 0.064 0.074) 0.116 3.001 ( 0.626 0.081 -0.049) 0.633 3.035 ( 1.889 -1.703 -1.122) 2.780 3.056 ( 0.551 1.586 1.215) 2.073 3.086 ( 0.351 -1.048 0.191) 1.122 3.158 ( 0.122 0.849 0.465) 0.976 3.179 ( 0.480 -0.402 0.139) 0.641 3.246 ( -0.525 -0.116 1.803) 1.881 3.259 ( -1.481 -0.207 1.415) 2.059 3.287 ( -0.766 1.181 0.322) 1.444 3.298 ( -1.410 -0.104 -0.782) 1.616 3.373 ( 0.351 5.434 1.691) 5.702 3.402 ( -0.061 1.666 -0.386) 1.712 3.505 ( -0.433 -4.020 0.633) 4.092 3.528 ( -0.195 -4.613 0.263) 4.625 3.625 ( -0.142 1.543 0.625) 1.670 3.653 ( -0.324 -0.080 0.261) 0.424 3.674 ( -0.372 0.326 -0.965) 1.085 3.679 ( -0.335 -0.449 -0.096) 0.568 3.761 ( -0.862 -0.195 0.324) 0.942 3.779 ( 0.575 -1.525 -0.014) 1.630 3.805 ( 0.015 -0.006 -0.300) 0.301 3.814 ( 0.337 -0.762 0.118) 0.842 5.273 ( 0.281 1.566 0.040) 1.592 5.279 ( 0.012 1.586 -0.189) 1.597 5.318 ( 0.118 -1.948 0.057) 1.953 5.321 ( 0.139 -1.802 -0.058) 1.808 5.751 ( -0.022 6.100 -0.006) 6.100 5.753 ( -0.033 6.125 -0.078) 6.126 5.892 ( -0.134 -5.264 -0.025) 5.266 5.896 ( -0.021 -5.248 -0.019) 5.248 6.940 ( -0.043 0.189 0.100) 0.218 6.946 ( 0.062 0.030 -0.111) 0.131 6.947 ( -0.154 -0.402 -0.064) 0.435 6.951 ( 0.129 -0.374 0.040) 0.398 7.361 ( 0.104 0.311 0.149) 0.360 7.369 ( -0.244 0.253 -0.081) 0.360 7.384 ( -0.106 -0.392 0.014) 0.406 7.391 ( -0.275 -0.508 -0.103) 0.587 7.623 ( -0.795 1.431 0.442) 1.695 7.634 ( -0.428 0.521 0.468) 0.821 7.666 ( -1.810 1.904 -1.125) 2.858 7.686 ( -2.917 1.579 -2.479) 4.141 8.015 ( 0.434 4.314 0.293) 4.345 8.021 ( -1.098 5.438 -0.799) 5.605 8.114 ( -0.715 -2.665 -0.194) 2.766 8.138 ( -1.443 -2.999 -1.289) 3.569 8.331 ( 0.239 3.997 -0.608) 4.050 8.341 ( 2.004 5.013 0.261) 5.405 8.426 ( -0.015 -3.443 -0.662) 3.506 8.479 ( 3.613 -5.858 -0.808) 6.930 ======================= Grid point 29 (17/32) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.117 7.050 3.762) 7.991 0.710 ( 6.308 -3.648 3.359) 8.024 0.854 ( -1.899 2.231 -0.094) 2.931 0.864 ( 0.946 0.498 -3.373) 3.539 0.921 ( 6.047 -2.076 3.543) 7.310 0.984 ( 0.906 -6.808 4.348) 8.129 1.021 ( 0.943 1.815 -0.497) 2.105 1.071 ( 2.167 -1.156 1.677) 2.974 1.119 ( 0.545 2.571 -4.950) 5.605 1.147 ( 0.693 0.755 1.437) 1.765 1.179 ( 2.201 -1.323 1.449) 2.948 1.214 ( 0.015 -3.158 -1.552) 3.519 1.239 ( 0.620 1.348 2.533) 2.936 1.273 ( -1.633 0.662 -3.074) 3.543 1.282 ( -0.568 0.947 2.037) 2.317 1.323 ( 0.090 -0.503 2.349) 2.404 1.358 ( 0.676 1.331 -2.862) 3.228 1.393 ( -0.474 0.441 0.678) 0.937 1.426 ( 0.229 -2.251 -2.766) 3.573 1.447 ( -1.023 -1.422 -2.424) 2.991 1.485 ( 1.111 1.529 1.676) 2.526 1.496 ( -0.253 -0.034 -0.652) 0.700 1.523 ( 0.114 -0.249 -1.246) 1.276 1.566 ( 1.058 -0.782 -0.547) 1.425 1.603 ( 1.938 4.596 3.987) 6.386 1.622 ( 0.117 3.020 1.898) 3.569 1.667 ( 1.652 -0.600 0.582) 1.851 1.714 ( 2.052 -2.359 -1.584) 3.505 1.730 ( -1.024 3.028 -2.636) 4.144 1.742 ( 0.111 1.293 -0.531) 1.402 1.750 ( -1.050 -1.142 -0.836) 1.762 1.777 ( -1.039 2.992 -1.939) 3.713 1.814 ( -0.327 3.537 2.245) 4.202 1.824 ( 1.101 0.694 -0.694) 1.475 1.863 ( 4.041 -2.020 -1.195) 4.673 1.883 ( 0.176 1.104 -0.923) 1.450 1.891 ( -1.050 1.105 -1.073) 1.864 1.918 ( 0.796 0.801 1.629) 1.982 1.946 ( 0.466 -2.134 -0.309) 2.206 1.974 ( 1.107 -2.982 1.271) 3.426 1.994 ( 1.630 -1.730 0.258) 2.391 2.028 ( 2.323 -1.991 -0.637) 3.125 2.063 ( 1.367 0.296 1.199) 1.842 2.094 ( -1.560 1.142 -1.452) 2.418 2.108 ( -0.876 -0.408 0.459) 1.070 2.138 ( 0.972 1.766 -1.197) 2.344 2.151 ( 1.826 -2.958 3.363) 4.837 2.206 ( 1.674 -2.289 1.925) 3.427 2.237 ( -0.386 1.235 -0.065) 1.296 2.250 ( 0.638 0.183 1.513) 1.652 2.261 ( 0.037 -2.088 -2.612) 3.344 2.277 ( 1.582 -0.749 0.464) 1.811 2.296 ( -0.567 -5.464 -4.320) 6.988 2.307 ( -0.763 -2.048 1.697) 2.767 2.370 ( -1.127 1.716 -3.092) 3.711 2.401 ( 1.081 -1.058 -1.153) 1.902 2.433 ( -2.519 1.933 1.343) 3.448 2.479 ( -2.832 -1.560 -0.882) 3.352 2.514 ( -2.034 3.137 -1.702) 4.108 2.598 ( -2.721 -1.912 -2.264) 4.023 2.654 ( 0.959 1.082 0.739) 1.624 2.664 ( -0.154 1.113 -1.615) 1.967 2.694 ( 0.271 -1.759 1.137) 2.111 2.711 ( -0.285 -1.275 0.868) 1.569 2.771 ( -0.678 1.812 0.122) 1.939 2.830 ( -0.910 -2.906 2.522) 3.954 2.876 ( -1.831 0.541 2.619) 3.241 2.891 ( -3.474 -0.950 2.518) 4.394 2.929 ( -0.417 0.711 -0.452) 0.940 2.950 ( 0.383 -0.931 -0.381) 1.076 3.023 ( 1.932 1.372 -0.887) 2.530 3.039 ( -0.227 0.727 -0.141) 0.774 3.081 ( -0.434 0.437 0.314) 0.691 3.091 ( 1.714 -0.833 -1.104) 2.203 3.154 ( -0.225 1.188 -1.254) 1.743 3.181 ( -0.326 -1.090 -0.616) 1.294 3.242 ( -1.151 0.145 1.513) 1.906 3.252 ( -0.414 0.731 0.822) 1.175 3.273 ( -0.564 1.077 0.132) 1.222 3.284 ( -0.036 0.904 0.822) 1.222 3.391 ( -0.118 5.382 0.885) 5.455 3.401 ( 0.197 2.856 -0.185) 2.868 3.495 ( -0.894 -3.930 0.319) 4.043 3.523 ( -0.473 -3.773 -0.016) 3.803 3.624 ( -0.379 1.609 0.214) 1.667 3.648 ( -0.276 0.077 0.056) 0.292 3.658 ( -0.072 0.600 -1.127) 1.279 3.674 ( -0.267 -0.592 -0.013) 0.650 3.753 ( -0.403 -0.089 0.534) 0.675 3.785 ( 0.485 -1.931 -0.483) 2.048 3.806 ( 0.167 0.074 0.175) 0.253 3.823 ( 0.355 -1.123 0.123) 1.184 5.276 ( 0.068 1.793 -0.122) 1.798 5.285 ( 0.575 1.171 -0.053) 1.306 5.321 ( 0.176 -1.725 0.056) 1.734 5.323 ( 0.141 -1.822 0.014) 1.827 5.748 ( -0.103 6.046 -0.078) 6.048 5.754 ( 0.015 6.107 0.045) 6.107 5.890 ( -0.096 -5.312 0.000) 5.313 5.895 ( -0.066 -5.185 -0.044) 5.185 6.941 ( 0.032 -0.136 0.148) 0.203 6.942 ( -0.215 -0.245 -0.091) 0.338 6.946 ( 0.082 0.119 -0.169) 0.222 6.953 ( -0.050 -0.408 0.065) 0.416 7.363 ( -0.033 0.260 0.029) 0.264 7.367 ( 0.122 0.531 0.005) 0.545 7.377 ( -0.431 -0.606 -0.097) 0.750 7.386 ( -0.189 -0.679 -0.051) 0.706 7.609 ( -0.777 1.278 0.035) 1.496 7.621 ( -1.118 1.894 -0.256) 2.214 7.626 ( -0.951 0.138 0.108) 0.967 7.647 ( -0.961 0.043 -0.138) 0.972 8.009 ( -0.118 3.977 -0.105) 3.981 8.024 ( 0.192 4.298 0.105) 4.303 8.091 ( -0.910 -2.435 -0.057) 2.600 8.117 ( -0.494 -3.049 -0.097) 3.091 8.338 ( 0.715 3.499 -0.126) 3.574 8.376 ( 1.319 5.474 -0.090) 5.632 8.429 ( 0.537 -3.735 0.231) 3.780 8.518 ( 1.597 -5.904 -0.811) 6.170 ======================= Grid point 30 (18/32) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -2.049 6.906 3.899) 8.191 0.720 ( -7.197 2.836 -5.770) 9.651 0.795 ( -2.192 -6.828 -0.872) 7.224 0.821 ( 0.178 -4.934 -2.824) 5.688 0.940 ( -5.349 -1.117 -3.103) 6.284 0.976 ( -5.270 -3.635 -2.216) 6.775 1.035 ( -0.371 -0.910 0.690) 1.200 1.064 ( 3.002 0.034 4.306) 5.249 1.110 ( 0.951 1.618 -3.067) 3.595 1.151 ( 1.086 0.322 -2.900) 3.113 1.184 ( -1.393 -1.353 -3.874) 4.334 1.205 ( -0.024 -1.304 -2.644) 2.948 1.235 ( 0.697 -0.601 1.354) 1.637 1.274 ( -0.195 -2.341 4.020) 4.656 1.355 ( -1.859 2.818 2.684) 4.313 1.362 ( 1.821 2.508 2.182) 3.790 1.385 ( 2.373 -0.001 1.886) 3.031 1.390 ( 3.772 1.722 -0.364) 4.162 1.431 ( 0.970 0.203 -1.778) 2.036 1.451 ( 1.965 -1.900 2.599) 3.772 1.480 ( -1.224 2.993 1.878) 3.739 1.524 ( 1.995 -0.242 1.490) 2.502 1.553 ( 1.207 2.886 0.045) 3.129 1.569 ( -1.191 -0.440 2.588) 2.882 1.615 ( -2.573 0.679 1.118) 2.886 1.649 ( -1.128 0.559 0.003) 1.259 1.685 ( -0.908 3.663 1.821) 4.191 1.713 ( 1.154 3.401 -1.243) 3.801 1.720 ( 0.942 1.269 -0.606) 1.693 1.732 ( 1.336 -1.141 -0.792) 1.928 1.753 ( 0.712 -0.063 -0.523) 0.885 1.778 ( -0.524 -0.945 1.735) 2.044 1.807 ( 0.479 -0.655 -2.407) 2.540 1.831 ( 0.481 1.108 0.306) 1.246 1.852 ( 0.310 -2.890 -2.706) 3.972 1.881 ( -1.076 1.085 -1.180) 1.931 1.908 ( 0.669 2.446 -0.573) 2.600 1.936 ( 1.395 -1.984 -0.370) 2.453 1.947 ( 0.543 -0.822 -0.365) 1.051 1.978 ( 0.118 -1.011 -2.184) 2.410 2.016 ( -2.466 0.363 -1.676) 3.004 2.040 ( -0.183 0.519 0.450) 0.711 2.055 ( -1.033 -4.079 1.726) 4.548 2.067 ( -2.596 1.819 -0.807) 3.271 2.100 ( 1.555 -0.728 1.313) 2.162 2.113 ( -3.016 -2.291 -2.861) 4.747 2.167 ( -0.142 -0.179 0.175) 0.288 2.205 ( -1.158 0.605 0.018) 1.306 2.223 ( -0.832 0.716 0.047) 1.099 2.251 ( 0.864 0.730 0.070) 1.133 2.263 ( 0.464 0.542 0.397) 0.817 2.291 ( -0.302 -0.277 0.748) 0.852 2.306 ( 1.323 -3.926 0.341) 4.157 2.344 ( 5.064 -4.823 -1.033) 7.069 2.382 ( 2.514 3.443 0.983) 4.375 2.410 ( -0.004 1.687 0.306) 1.715 2.445 ( 0.815 -0.204 0.191) 0.862 2.476 ( 3.524 -3.212 0.584) 4.804 2.489 ( 0.944 0.164 -1.274) 1.594 2.541 ( -1.020 -2.839 -1.002) 3.179 2.652 ( 0.369 1.806 -1.131) 2.162 2.678 ( 0.182 -0.437 1.257) 1.343 2.703 ( -0.580 -1.855 1.114) 2.240 2.709 ( -0.477 -1.662 0.889) 1.945 2.766 ( -0.049 2.977 0.869) 3.102 2.831 ( -1.128 -1.440 1.273) 2.228 2.842 ( -2.388 -0.669 0.856) 2.623 2.851 ( -2.547 -0.698 1.267) 2.929 2.931 ( -0.070 0.951 0.496) 1.075 2.957 ( 0.301 -0.986 0.005) 1.031 3.029 ( -0.062 1.774 -0.597) 1.873 3.047 ( 0.848 0.713 -0.672) 1.296 3.061 ( -1.313 1.159 -0.174) 1.760 3.097 ( 0.070 -1.108 -1.833) 2.143 3.136 ( 0.634 0.965 -2.119) 2.413 3.157 ( -0.521 -0.799 -1.791) 2.029 3.248 ( -0.498 1.042 1.831) 2.165 3.265 ( 0.389 0.124 1.520) 1.574 3.273 ( 0.306 2.003 0.494) 2.085 3.294 ( -0.100 0.383 1.072) 1.143 3.379 ( -1.369 6.359 -0.332) 6.513 3.404 ( 0.261 2.422 -0.037) 2.436 3.489 ( -0.082 -3.822 0.424) 3.846 3.514 ( -0.161 -3.777 -0.338) 3.796 3.617 ( -0.283 1.464 -0.200) 1.505 3.644 ( -0.083 0.284 -0.231) 0.375 3.651 ( 0.375 0.151 -0.920) 1.004 3.668 ( -0.048 -0.545 -0.373) 0.662 3.755 ( -0.201 0.022 0.781) 0.807 3.788 ( 0.276 -1.694 -0.347) 1.751 3.813 ( 0.156 -0.157 0.501) 0.548 3.827 ( -0.035 -1.054 0.028) 1.055 5.278 ( 0.170 1.686 0.088) 1.696 5.289 ( -0.017 0.833 -0.201) 0.858 5.324 ( -0.047 -1.499 0.111) 1.504 5.326 ( 0.109 -1.677 0.111) 1.684 5.748 ( 0.122 6.023 0.071) 6.024 5.753 ( -0.081 6.105 -0.061) 6.106 5.889 ( 0.027 -5.315 0.061) 5.315 5.894 ( 0.024 -5.178 -0.058) 5.178 6.939 ( -0.119 0.025 -0.039) 0.128 6.944 ( 0.105 -0.411 0.197) 0.468 6.946 ( 0.160 0.059 -0.208) 0.269 6.952 ( -0.113 -0.364 0.020) 0.381 7.363 ( -0.027 0.098 -0.011) 0.103 7.367 ( -0.115 0.093 -0.142) 0.205 7.373 ( 0.172 -0.346 0.117) 0.404 7.383 ( -0.022 -0.562 -0.136) 0.579 7.603 ( 0.008 1.093 0.120) 1.100 7.611 ( 0.137 1.481 -0.054) 1.488 7.620 ( 0.190 0.085 0.381) 0.435 7.637 ( 0.150 -0.256 -0.035) 0.299 8.010 ( 0.147 3.607 0.171) 3.614 8.024 ( -0.154 3.760 -0.207) 3.769 8.089 ( 0.316 -1.884 0.593) 2.000 8.113 ( 0.156 -2.648 -0.006) 2.652 8.349 ( 0.245 3.478 0.317) 3.501 8.384 ( -0.125 5.268 -0.499) 5.293 8.443 ( 0.170 -3.747 1.038) 3.892 8.529 ( 0.556 -6.004 -0.844) 6.088 ======================= Grid point 31 (19/32) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -9.576 5.999 -5.264) 12.466 0.568 ( -6.544 5.153 2.453) 8.683 0.682 ( -6.159 -5.519 -0.637) 8.294 0.784 ( -5.184 -9.050 2.347) 10.690 0.826 ( -5.088 2.119 0.552) 5.539 0.885 ( -3.604 -2.609 -0.351) 4.464 0.986 ( -1.032 5.393 -1.567) 5.710 1.103 ( -1.798 1.013 1.439) 2.516 1.117 ( -0.391 -3.635 -0.556) 3.698 1.137 ( 2.124 1.216 -0.939) 2.621 1.146 ( -2.148 -0.239 -0.287) 2.180 1.205 ( -0.082 1.197 -0.889) 1.493 1.213 ( -0.343 -0.612 -4.321) 4.378 1.272 ( -2.311 1.517 -0.013) 2.764 1.311 ( -2.200 0.259 -0.763) 2.343 1.370 ( -1.820 3.765 -0.462) 4.207 1.407 ( -0.852 -0.164 0.527) 1.015 1.429 ( -1.437 -0.795 0.972) 1.908 1.460 ( 0.397 -1.189 1.699) 2.111 1.476 ( -0.805 -0.793 2.384) 2.638 1.515 ( -1.298 0.738 -1.810) 2.346 1.529 ( 0.328 3.879 3.232) 5.060 1.550 ( -2.264 -2.800 -0.754) 3.679 1.599 ( 1.785 2.227 0.846) 2.977 1.608 ( -0.567 0.812 1.460) 1.764 1.638 ( -0.975 2.336 -1.190) 2.797 1.653 ( -0.097 0.818 0.753) 1.116 1.684 ( -0.709 1.145 -1.093) 1.734 1.706 ( -1.875 -1.582 -1.103) 2.690 1.737 ( -0.640 2.500 -0.218) 2.590 1.763 ( -1.272 -2.693 -1.758) 3.459 1.780 ( 2.378 1.338 0.043) 2.729 1.815 ( -1.875 -1.119 -0.020) 2.183 1.829 ( 0.278 -2.191 -0.957) 2.407 1.842 ( 0.758 -1.345 0.364) 1.586 1.850 ( 1.434 -2.613 -0.070) 2.981 1.895 ( -1.716 1.216 0.597) 2.186 1.939 ( 0.447 -2.431 -1.520) 2.902 1.954 ( 1.540 1.816 0.234) 2.393 1.968 ( 0.415 -0.073 -0.593) 0.728 2.002 ( 1.446 0.018 0.860) 1.683 2.019 ( 1.553 -0.958 -0.922) 2.044 2.025 ( 0.254 -3.257 -0.860) 3.378 2.076 ( -0.663 -4.353 2.941) 5.295 2.130 ( 3.437 -0.166 1.156) 3.630 2.139 ( 1.421 -0.124 0.655) 1.569 2.185 ( -1.725 1.606 0.794) 2.487 2.198 ( 1.743 1.513 2.424) 3.347 2.219 ( 0.026 0.457 1.655) 1.717 2.256 ( -1.145 -0.948 0.214) 1.502 2.277 ( 1.089 0.434 -0.889) 1.471 2.305 ( 0.811 -0.968 -0.527) 1.369 2.322 ( 1.184 -0.358 0.161) 1.247 2.375 ( 0.963 0.788 -1.278) 1.784 2.419 ( 2.575 1.834 -3.962) 5.069 2.436 ( 3.567 -0.505 -0.966) 3.729 2.474 ( 0.265 0.507 -0.386) 0.690 2.501 ( 0.273 -1.549 -4.009) 4.307 2.506 ( 1.841 -2.855 -2.486) 4.209 2.529 ( -0.709 -2.729 0.895) 2.958 2.654 ( 0.066 3.042 0.631) 3.107 2.684 ( -1.146 -0.062 2.375) 2.637 2.707 ( -1.366 -1.951 1.528) 2.829 2.714 ( 0.894 -1.308 1.007) 1.877 2.794 ( 0.805 1.462 2.089) 2.674 2.806 ( -0.821 0.345 -0.430) 0.988 2.833 ( 0.201 -0.992 0.989) 1.415 2.847 ( 0.018 -1.403 2.159) 2.575 2.923 ( -0.815 1.139 -0.225) 1.419 2.955 ( -0.739 -0.746 0.340) 1.104 3.020 ( -0.319 1.473 -1.135) 1.886 3.036 ( -0.426 1.145 -1.064) 1.620 3.043 ( -0.677 0.630 0.049) 0.926 3.078 ( -0.138 -1.424 -0.744) 1.613 3.131 ( 1.021 -0.098 -2.049) 2.292 3.137 ( 0.089 -0.434 -1.429) 1.496 3.252 ( -1.073 0.743 2.015) 2.401 3.273 ( -0.754 -0.071 0.821) 1.117 3.294 ( 0.360 1.341 0.825) 1.615 3.309 ( 1.062 1.478 0.743) 1.966 3.348 ( -1.358 8.051 0.071) 8.165 3.410 ( 0.321 1.393 0.130) 1.436 3.493 ( -0.020 -3.688 0.136) 3.691 3.514 ( 0.504 -4.419 -0.159) 4.451 3.613 ( -0.019 1.253 -0.199) 1.269 3.643 ( 0.011 -0.657 -0.042) 0.659 3.652 ( 0.921 0.743 -0.835) 1.448 3.670 ( 0.684 -0.416 -0.374) 0.883 3.758 ( -0.239 -0.017 0.566) 0.614 3.786 ( -0.242 -1.604 -0.175) 1.632 3.819 ( -0.093 -0.026 0.342) 0.356 3.822 ( -0.453 -0.516 -0.016) 0.687 5.280 ( -0.309 1.302 -0.060) 1.340 5.283 ( -0.153 1.192 -0.061) 1.203 5.321 ( -0.288 -1.622 0.048) 1.648 5.327 ( -0.151 -1.689 0.083) 1.698 5.750 ( -0.080 6.201 -0.086) 6.202 5.753 ( 0.233 5.956 0.083) 5.962 5.891 ( 0.097 -5.199 0.043) 5.200 5.895 ( 0.083 -5.271 -0.069) 5.273 6.938 ( 0.010 0.316 0.015) 0.316 6.946 ( 0.071 -0.215 -0.089) 0.244 6.949 ( 0.003 -0.350 -0.013) 0.350 6.951 ( 0.105 -0.461 0.046) 0.475 7.361 ( -0.102 -0.040 -0.001) 0.110 7.365 ( 0.038 -0.131 -0.041) 0.143 7.380 ( 0.296 -0.213 -0.035) 0.366 7.384 ( 0.338 -0.308 -0.095) 0.467 7.606 ( 0.398 1.310 -0.031) 1.369 7.621 ( 0.530 0.656 0.008) 0.843 7.643 ( 2.129 1.149 0.203) 2.428 7.662 ( 2.722 0.676 0.186) 2.810 8.015 ( -0.081 3.982 -0.108) 3.985 8.018 ( 0.260 3.667 0.116) 3.678 8.109 ( 0.990 -1.639 0.407) 1.958 8.127 ( 1.592 -2.500 0.052) 2.964 8.351 ( -0.378 3.867 0.456) 3.912 8.363 ( -1.380 5.114 -0.650) 5.337 8.453 ( -0.303 -3.631 1.133) 3.816 8.522 ( -0.364 -6.920 -1.250) 7.042 ======================= Grid point 32 (20/32) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -8.155 6.891 6.016) 12.255 0.458 ( -7.306 5.789 6.628) 11.437 0.584 ( -6.730 -8.632 5.547) 12.270 0.698 ( -3.784 -6.150 2.614) 7.679 0.788 ( -2.546 2.431 3.527) 4.983 0.830 ( -3.062 -0.640 1.549) 3.490 0.940 ( -5.432 18.058 2.485) 19.020 1.083 ( -1.629 1.310 1.241) 2.430 1.098 ( -1.671 -0.961 -3.881) 4.333 1.111 ( -1.798 1.769 1.330) 2.851 1.127 ( -3.078 1.180 1.417) 3.588 1.165 ( 0.942 3.264 -0.485) 3.432 1.174 ( -2.878 2.411 -3.343) 5.027 1.231 ( 2.964 -2.869 -1.908) 4.545 1.267 ( -0.560 -1.596 -2.505) 3.023 1.320 ( -1.224 2.023 -0.844) 2.511 1.381 ( -2.304 0.039 -0.295) 2.323 1.407 ( -1.345 -2.054 2.290) 3.357 1.445 ( -1.024 0.279 0.199) 1.079 1.465 ( -1.822 0.381 -0.937) 2.084 1.499 ( -0.145 -0.836 -1.310) 1.560 1.520 ( 1.397 -6.273 0.939) 6.495 1.540 ( -0.646 0.253 0.497) 0.854 1.589 ( -1.298 1.953 0.227) 2.356 1.621 ( -0.411 2.401 0.574) 2.502 1.629 ( -0.976 -3.380 0.440) 3.545 1.658 ( -0.598 0.804 -0.583) 1.160 1.664 ( 0.409 -1.302 -0.947) 1.661 1.685 ( -2.110 -7.057 0.009) 7.366 1.700 ( -0.955 0.049 -0.095) 0.961 1.736 ( 0.634 1.565 -0.739) 1.843 1.778 ( -0.847 0.216 -0.851) 1.220 1.808 ( 0.205 -0.596 0.221) 0.668 1.837 ( 2.705 2.420 0.146) 3.633 1.875 ( 0.836 1.458 -0.356) 1.718 1.898 ( 1.404 -2.182 0.808) 2.718 1.923 ( 2.482 -1.191 0.457) 2.791 1.936 ( 0.887 -7.669 1.387) 7.844 1.965 ( 0.785 1.682 -1.413) 2.333 1.997 ( 0.441 1.372 1.045) 1.780 2.018 ( 0.649 -1.261 -2.122) 2.552 2.049 ( 1.211 0.871 -0.243) 1.511 2.065 ( 3.226 -0.613 -1.220) 3.503 2.079 ( -0.999 -3.732 1.321) 4.083 2.138 ( -1.339 1.753 -0.076) 2.207 2.155 ( -0.466 0.869 -1.018) 1.417 2.171 ( -1.365 -0.549 2.591) 2.979 2.217 ( -2.383 -3.656 -0.320) 4.376 2.238 ( -1.208 0.595 1.250) 1.837 2.260 ( 0.325 -0.706 1.263) 1.483 2.301 ( 1.130 1.235 -1.132) 2.021 2.328 ( 1.066 -1.203 -1.378) 2.117 2.344 ( 3.988 2.999 -0.523) 5.017 2.390 ( 0.490 1.135 0.187) 1.250 2.413 ( 1.213 0.159 -4.571) 4.732 2.432 ( 0.237 0.599 -5.703) 5.739 2.468 ( 0.012 -0.270 -1.045) 1.080 2.474 ( 0.491 -0.330 -2.108) 2.190 2.500 ( 2.949 -0.933 -1.194) 3.315 2.519 ( 0.654 -2.233 -1.537) 2.789 2.665 ( 0.221 2.084 1.383) 2.511 2.686 ( -0.772 -0.088 0.637) 1.005 2.702 ( -1.365 0.095 3.921) 4.153 2.740 ( 0.058 -0.809 1.504) 1.709 2.786 ( -0.863 0.948 -1.204) 1.759 2.806 ( -1.335 -0.858 2.390) 2.868 2.856 ( -1.272 0.181 1.929) 2.318 2.884 ( 0.967 -2.062 2.712) 3.542 2.929 ( 2.045 1.332 0.803) 2.569 2.949 ( 0.164 0.271 0.143) 0.347 2.988 ( -1.214 1.118 -1.490) 2.223 3.010 ( -1.040 -1.346 -0.778) 1.870 3.045 ( -0.121 1.009 0.291) 1.057 3.072 ( -0.589 -1.132 0.651) 1.432 3.124 ( 0.663 0.582 -1.118) 1.424 3.145 ( 1.186 -1.112 -0.000) 1.626 3.251 ( -1.357 -0.666 2.445) 2.874 3.258 ( -0.818 0.326 -0.140) 0.891 3.306 ( 0.191 1.880 0.436) 1.939 3.326 ( -0.440 2.028 0.984) 2.297 3.337 ( -0.453 7.205 0.802) 7.264 3.415 ( 0.061 1.057 -0.005) 1.059 3.493 ( -0.179 -4.376 0.505) 4.409 3.523 ( 0.341 -5.591 0.084) 5.602 3.613 ( 0.126 1.269 0.088) 1.278 3.643 ( 0.142 -0.747 0.018) 0.761 3.672 ( 1.585 0.672 -0.429) 1.774 3.684 ( 1.011 -0.142 -0.278) 1.058 3.757 ( -0.229 -0.105 0.166) 0.302 3.777 ( -0.565 -1.110 -0.105) 1.250 3.808 ( -0.449 0.160 -0.152) 0.500 3.824 ( -0.013 -0.821 0.422) 0.923 5.272 ( -0.147 1.583 -0.051) 1.591 5.282 ( -0.027 1.401 -0.073) 1.403 5.317 ( -0.160 -1.842 0.046) 1.849 5.323 ( -0.242 -1.769 -0.019) 1.785 5.748 ( -0.011 6.400 -0.058) 6.401 5.757 ( 0.075 5.821 -0.004) 5.821 5.893 ( 0.075 -5.117 -0.010) 5.118 5.896 ( 0.087 -5.396 -0.040) 5.396 6.939 ( 0.047 0.497 0.048) 0.501 6.945 ( -0.078 -0.168 -0.072) 0.199 6.947 ( -0.027 -0.272 -0.083) 0.286 6.953 ( 0.047 -0.631 0.050) 0.634 7.360 ( -0.082 0.134 0.036) 0.161 7.368 ( 0.192 -0.452 0.167) 0.519 7.383 ( 0.231 -0.133 -0.288) 0.392 7.391 ( 0.317 -0.481 -0.017) 0.577 7.616 ( 0.601 1.086 0.065) 1.243 7.628 ( 0.249 0.114 0.009) 0.274 7.687 ( 2.118 3.008 -0.461) 3.708 7.744 ( 5.771 -0.128 -1.171) 5.890 8.008 ( -0.226 3.886 -0.116) 3.894 8.045 ( 2.842 5.046 -0.079) 5.792 8.124 ( 0.467 -1.411 -0.606) 1.605 8.167 ( 2.429 -1.541 -0.595) 2.937 8.326 ( -1.634 4.444 -0.465) 4.758 8.348 ( -0.046 4.093 0.105) 4.095 8.453 ( -0.751 -3.719 0.450) 3.821 8.474 ( -3.172 -6.714 -2.380) 7.798 ======================= Grid point 39 (21/32) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -3.965 0.000 10.291) 11.029 0.506 ( -5.515 0.000 12.974) 14.098 0.664 ( 5.910 0.000 -5.163) 7.848 0.747 ( 3.210 0.000 -9.220) 9.763 0.843 ( 0.404 0.000 1.705) 1.752 0.881 ( 0.562 0.000 4.661) 4.695 0.917 ( -3.086 0.000 -3.427) 4.612 0.962 ( 0.507 0.000 -2.603) 2.651 1.071 ( 0.961 0.000 18.620) 18.645 1.106 ( 0.017 0.000 6.042) 6.042 1.148 ( -2.740 0.000 3.256) 4.256 1.209 ( 2.974 0.000 0.583) 3.031 1.231 ( 0.783 0.000 2.016) 2.163 1.256 ( -1.193 0.000 3.360) 3.566 1.260 ( 0.238 0.000 -0.640) 0.683 1.335 ( -1.167 0.000 -0.667) 1.344 1.345 ( 2.475 0.000 -2.812) 3.746 1.415 ( -1.259 0.000 -4.910) 5.069 1.444 ( -0.076 0.000 0.815) 0.819 1.448 ( -0.514 0.000 0.364) 0.630 1.503 ( 2.667 0.000 0.341) 2.689 1.521 ( -0.815 0.000 -2.731) 2.850 1.536 ( 3.236 0.000 -1.103) 3.419 1.549 ( -0.740 0.000 -1.029) 1.268 1.595 ( -2.193 0.000 0.585) 2.270 1.635 ( 2.846 0.000 -6.397) 7.001 1.638 ( -0.281 0.000 2.328) 2.345 1.653 ( -0.451 0.000 1.102) 1.190 1.669 ( 0.320 0.000 -0.162) 0.359 1.699 ( -0.461 0.000 0.108) 0.473 1.735 ( -0.104 0.000 1.582) 1.586 1.767 ( 0.223 0.000 0.183) 0.289 1.775 ( -1.022 0.000 -0.356) 1.082 1.799 ( -1.933 0.000 -6.618) 6.895 1.826 ( -0.165 0.000 -3.669) 3.673 1.841 ( -1.574 0.000 -5.097) 5.335 1.885 ( 4.530 0.000 1.040) 4.648 1.922 ( 3.347 0.000 3.998) 5.214 1.937 ( -4.707 0.000 -4.231) 6.330 2.010 ( -3.539 0.000 -2.853) 4.545 2.058 ( 0.906 0.000 -0.379) 0.982 2.078 ( 0.111 0.000 -0.938) 0.945 2.106 ( -0.869 0.000 1.439) 1.681 2.110 ( -0.630 0.000 0.315) 0.705 2.116 ( 0.520 0.000 -0.025) 0.520 2.125 ( -1.212 0.000 -1.108) 1.642 2.176 ( -1.262 0.000 2.713) 2.992 2.188 ( -1.469 0.000 0.681) 1.619 2.214 ( 3.144 0.000 -0.301) 3.158 2.262 ( -0.450 0.000 -2.677) 2.715 2.277 ( -0.310 0.000 -0.028) 0.312 2.292 ( -1.404 0.000 4.160) 4.391 2.293 ( 1.799 0.000 -0.728) 1.941 2.382 ( 0.646 0.000 -4.694) 4.738 2.409 ( -1.286 0.000 1.801) 2.213 2.423 ( 1.109 0.000 -0.561) 1.243 2.507 ( 1.285 0.000 2.695) 2.986 2.526 ( 1.260 0.000 2.100) 2.449 2.560 ( 3.679 0.000 1.072) 3.832 2.572 ( 1.560 0.000 -0.613) 1.676 2.602 ( -1.438 0.000 -0.800) 1.646 2.630 ( -1.330 0.000 -2.602) 2.923 2.664 ( -1.429 0.000 -1.560) 2.116 2.674 ( -0.051 0.000 -1.988) 1.988 2.804 ( -0.830 0.000 3.133) 3.241 2.836 ( -1.509 0.000 0.454) 1.576 2.873 ( -0.623 0.000 0.007) 0.623 2.893 ( 2.880 0.000 -1.448) 3.223 2.993 ( -2.449 0.000 1.867) 3.079 2.998 ( -0.986 0.000 2.766) 2.937 3.008 ( 1.545 0.000 1.268) 1.999 3.037 ( 0.422 0.000 0.143) 0.445 3.045 ( 0.536 0.000 -1.811) 1.889 3.061 ( 0.740 0.000 -1.563) 1.729 3.153 ( 1.065 0.000 1.056) 1.499 3.173 ( -0.952 0.000 -0.152) 0.964 3.205 ( -0.628 0.000 0.222) 0.666 3.213 ( -0.115 0.000 -0.823) 0.831 3.350 ( -0.828 0.000 1.920) 2.091 3.358 ( 0.913 0.000 3.428) 3.547 3.401 ( 0.096 0.000 0.927) 0.932 3.484 ( -1.361 0.000 -4.622) 4.818 3.596 ( -0.589 0.000 1.156) 1.298 3.609 ( 0.440 0.000 0.268) 0.515 3.622 ( 0.520 0.000 -0.069) 0.524 3.638 ( 0.365 0.000 -1.142) 1.199 3.655 ( -1.135 0.000 0.689) 1.328 3.668 ( 0.709 0.000 -0.594) 0.925 3.785 ( -0.336 0.000 0.345) 0.481 3.787 ( 0.715 0.000 0.222) 0.749 3.808 ( 0.213 0.000 0.754) 0.784 3.831 ( -1.123 0.000 -1.504) 1.877 5.253 ( -0.088 0.000 0.154) 0.177 5.257 ( 0.007 0.000 -0.226) 0.226 5.345 ( 0.041 0.000 0.042) 0.059 5.346 ( -0.057 0.000 -0.034) 0.067 5.666 ( 0.139 0.000 0.241) 0.278 5.672 ( -0.127 0.000 -0.295) 0.322 5.959 ( 0.137 0.000 0.051) 0.146 5.960 ( -0.140 0.000 -0.055) 0.150 6.939 ( 0.098 0.000 0.295) 0.311 6.945 ( -0.085 0.000 -0.291) 0.304 6.952 ( 0.324 0.000 0.278) 0.427 6.957 ( -0.265 0.000 -0.223) 0.346 7.351 ( -0.224 0.000 0.053) 0.230 7.353 ( 0.209 0.000 -0.102) 0.232 7.396 ( 0.149 0.000 0.445) 0.469 7.402 ( -0.137 0.000 -0.103) 0.171 7.597 ( 0.029 0.000 0.081) 0.086 7.599 ( -0.042 0.000 -0.100) 0.108 7.633 ( -0.179 0.000 -0.043) 0.184 7.636 ( 0.131 0.000 -0.323) 0.349 7.953 ( 0.173 0.000 0.178) 0.248 7.956 ( -0.153 0.000 -0.171) 0.230 8.163 ( -0.490 0.000 -0.126) 0.506 8.164 ( 0.672 0.000 -0.241) 0.713 8.263 ( -0.118 0.000 0.001) 0.118 8.263 ( 0.119 0.000 -0.013) 0.120 8.470 ( 2.318 0.000 0.411) 2.354 8.479 ( -1.760 0.000 -0.426) 1.811 ======================= Grid point 40 (22/32) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -2.198 0.000 10.428) 10.657 0.606 ( 6.820 0.000 5.285) 8.629 0.734 ( 5.221 0.000 -6.636) 8.444 0.747 ( 7.405 0.000 -10.955) 13.222 0.899 ( 5.139 0.000 0.223) 5.144 0.910 ( -0.794 0.000 0.980) 1.261 0.958 ( 4.133 0.000 1.937) 4.564 0.976 ( 5.045 0.000 2.149) 5.483 1.148 ( 1.894 0.000 1.777) 2.597 1.168 ( 1.644 0.000 1.526) 2.243 1.215 ( -0.347 0.000 -5.526) 5.537 1.222 ( -2.323 0.000 -3.895) 4.535 1.242 ( 0.246 0.000 -0.800) 0.837 1.278 ( 3.222 0.000 -2.912) 4.343 1.300 ( 0.321 0.000 3.035) 3.052 1.336 ( 2.879 0.000 -6.193) 6.829 1.339 ( 0.901 0.000 11.866) 11.900 1.376 ( 2.426 0.000 -2.122) 3.223 1.439 ( -2.614 0.000 5.321) 5.928 1.455 ( -3.042 0.000 -4.776) 5.662 1.475 ( -3.255 0.000 -4.670) 5.692 1.487 ( -0.423 0.000 -1.573) 1.629 1.501 ( 2.327 0.000 2.830) 3.664 1.552 ( -0.914 0.000 0.084) 0.918 1.588 ( 1.574 0.000 2.048) 2.582 1.597 ( -0.634 0.000 -2.275) 2.362 1.657 ( -0.250 0.000 -1.299) 1.323 1.661 ( 0.185 0.000 1.004) 1.021 1.667 ( 0.238 0.000 -1.083) 1.109 1.712 ( -1.396 0.000 2.069) 2.496 1.733 ( 3.021 0.000 0.429) 3.051 1.745 ( -2.361 0.000 -2.860) 3.708 1.791 ( 1.728 0.000 1.634) 2.378 1.801 ( -1.144 0.000 -0.554) 1.271 1.830 ( 2.236 0.000 -0.722) 2.349 1.842 ( 2.467 0.000 2.238) 3.331 1.854 ( 2.544 0.000 2.461) 3.540 1.881 ( -3.559 0.000 -2.568) 4.389 1.960 ( 0.812 0.000 1.297) 1.530 2.024 ( -0.954 0.000 -1.387) 1.684 2.036 ( 0.937 0.000 3.746) 3.861 2.061 ( -2.262 0.000 -0.449) 2.306 2.083 ( -2.529 0.000 0.291) 2.545 2.121 ( 1.059 0.000 0.286) 1.097 2.132 ( 1.224 0.000 0.762) 1.442 2.157 ( 4.010 0.000 2.219) 4.583 2.177 ( -0.143 0.000 -0.123) 0.188 2.183 ( -1.551 0.000 3.683) 3.996 2.220 ( -0.175 0.000 -3.304) 3.308 2.251 ( 0.602 0.000 0.322) 0.683 2.266 ( -1.063 0.000 0.352) 1.120 2.320 ( 2.535 0.000 -3.149) 4.043 2.332 ( -0.075 0.000 3.988) 3.988 2.356 ( 0.545 0.000 -2.835) 2.887 2.401 ( -0.336 0.000 1.175) 1.222 2.420 ( -1.317 0.000 0.096) 1.321 2.481 ( -4.665 0.000 -2.678) 5.379 2.506 ( -1.023 0.000 -0.102) 1.028 2.520 ( -2.345 0.000 -3.756) 4.428 2.541 ( -1.888 0.000 -3.074) 3.608 2.634 ( 2.438 0.000 0.974) 2.625 2.640 ( 1.189 0.000 -0.015) 1.189 2.681 ( 2.482 0.000 2.153) 3.286 2.705 ( 2.287 0.000 0.564) 2.355 2.803 ( -2.156 0.000 0.106) 2.159 2.830 ( 0.464 0.000 2.520) 2.563 2.872 ( 1.235 0.000 -1.112) 1.661 2.927 ( 2.279 0.000 -1.638) 2.806 2.971 ( -2.006 0.000 1.625) 2.581 3.002 ( -1.390 0.000 2.437) 2.806 3.017 ( -1.438 0.000 -1.970) 2.439 3.026 ( -2.040 0.000 0.545) 2.112 3.055 ( 2.350 0.000 -0.274) 2.366 3.059 ( 1.504 0.000 -2.393) 2.826 3.138 ( -1.821 0.000 -1.031) 2.093 3.183 ( 0.751 0.000 0.678) 1.011 3.211 ( 0.447 0.000 1.000) 1.096 3.224 ( 1.317 0.000 0.152) 1.325 3.340 ( -3.987 0.000 -1.835) 4.389 3.372 ( -2.986 0.000 0.804) 3.092 3.373 ( -0.069 0.000 0.250) 0.260 3.393 ( -4.312 0.000 2.837) 5.162 3.583 ( -1.175 0.000 0.515) 1.282 3.592 ( -2.153 0.000 -0.362) 2.183 3.615 ( -0.646 0.000 0.929) 1.131 3.628 ( -0.031 0.000 -1.349) 1.349 3.653 ( -0.229 0.000 0.259) 0.346 3.675 ( 0.307 0.000 -0.241) 0.390 3.778 ( -0.166 0.000 0.129) 0.210 3.787 ( -0.336 0.000 -0.367) 0.498 3.816 ( 0.494 0.000 -0.499) 0.702 3.830 ( 0.489 0.000 0.962) 1.080 5.253 ( -0.196 0.000 -0.177) 0.264 5.257 ( 0.442 0.000 0.171) 0.474 5.345 ( 0.003 0.000 -0.034) 0.034 5.347 ( 0.117 0.000 0.052) 0.129 5.667 ( -0.074 0.000 -0.251) 0.262 5.672 ( 0.147 0.000 0.247) 0.287 5.957 ( -0.156 0.000 -0.061) 0.167 5.960 ( -0.078 0.000 0.044) 0.090 6.941 ( 0.001 0.000 -0.322) 0.322 6.944 ( 0.131 0.000 0.272) 0.302 6.950 ( -0.191 0.000 -0.143) 0.239 6.960 ( 0.187 0.000 0.126) 0.225 7.351 ( 0.105 0.000 0.112) 0.154 7.358 ( 0.467 0.000 -0.083) 0.474 7.395 ( -0.367 0.000 -0.159) 0.400 7.400 ( -0.162 0.000 0.131) 0.208 7.594 ( -0.411 0.000 0.019) 0.411 7.594 ( -0.283 0.000 -0.025) 0.284 7.629 ( -0.291 0.000 0.283) 0.406 7.634 ( -0.118 0.000 -0.164) 0.203 7.954 ( 0.147 0.000 -0.151) 0.210 7.960 ( 0.377 0.000 0.126) 0.398 8.143 ( -1.317 0.000 0.214) 1.335 8.161 ( -0.592 0.000 -0.295) 0.661 8.273 ( 1.125 0.000 -0.019) 1.125 8.278 ( 1.380 0.000 -0.019) 1.380 8.467 ( 0.879 0.000 0.356) 0.948 8.531 ( 3.357 0.000 -0.889) 3.473 ======================= Grid point 41 (23/32) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.056 0.000 7.876) 7.947 0.722 ( 2.358 0.000 -7.168) 7.546 0.788 ( -0.040 0.000 -2.397) 2.397 0.802 ( 7.989 0.000 -8.876) 11.942 0.860 ( 6.127 0.000 2.131) 6.487 1.022 ( 1.523 0.000 -1.128) 1.895 1.061 ( -0.345 0.000 -1.622) 1.658 1.088 ( 4.513 0.000 0.481) 4.538 1.127 ( 2.047 0.000 -1.154) 2.350 1.136 ( -0.102 0.000 1.155) 1.160 1.148 ( -2.713 0.000 -3.676) 4.569 1.193 ( 1.593 0.000 -3.276) 3.643 1.244 ( 1.741 0.000 -1.423) 2.248 1.316 ( 3.394 0.000 -2.869) 4.444 1.321 ( -0.149 0.000 4.549) 4.551 1.351 ( -3.991 0.000 -0.571) 4.032 1.356 ( 2.296 0.000 -2.510) 3.402 1.379 ( 3.414 0.000 -5.745) 6.683 1.420 ( 1.593 0.000 -0.645) 1.718 1.432 ( -1.407 0.000 2.938) 3.258 1.480 ( -0.163 0.000 3.123) 3.128 1.501 ( -0.248 0.000 4.476) 4.483 1.539 ( -1.115 0.000 6.373) 6.470 1.566 ( -0.739 0.000 1.705) 1.858 1.618 ( 4.201 0.000 1.242) 4.381 1.636 ( -0.366 0.000 1.251) 1.303 1.652 ( 0.495 0.000 -0.001) 0.495 1.654 ( -1.554 0.000 0.895) 1.793 1.679 ( 3.199 0.000 -2.203) 3.884 1.700 ( -0.023 0.000 -1.015) 1.015 1.725 ( 1.037 0.000 0.027) 1.038 1.762 ( -1.004 0.000 -0.476) 1.111 1.792 ( 0.380 0.000 -0.153) 0.410 1.805 ( 3.705 0.000 1.013) 3.841 1.828 ( -0.249 0.000 -1.983) 1.998 1.865 ( 1.609 0.000 1.373) 2.115 1.900 ( -0.755 0.000 -0.837) 1.127 1.918 ( -0.231 0.000 -0.245) 0.337 1.957 ( -3.133 0.000 0.214) 3.141 1.977 ( -0.975 0.000 2.015) 2.239 2.040 ( 2.186 0.000 -0.046) 2.187 2.043 ( -1.403 0.000 -0.407) 1.461 2.069 ( -1.554 0.000 -0.160) 1.562 2.126 ( -1.534 0.000 0.024) 1.534 2.167 ( 0.241 0.000 -1.325) 1.347 2.185 ( 2.170 0.000 2.873) 3.600 2.185 ( -1.522 0.000 3.066) 3.423 2.204 ( -1.946 0.000 -0.632) 2.046 2.210 ( 2.036 0.000 -1.768) 2.697 2.253 ( -1.221 0.000 1.549) 1.972 2.258 ( -4.705 0.000 -2.887) 5.520 2.293 ( 0.139 0.000 -0.805) 0.817 2.319 ( 1.738 0.000 -0.156) 1.745 2.339 ( -2.121 0.000 1.962) 2.890 2.420 ( -0.086 0.000 1.126) 1.129 2.424 ( 1.175 0.000 1.836) 2.179 2.446 ( 2.565 0.000 -1.317) 2.883 2.460 ( 1.010 0.000 -2.069) 2.302 2.473 ( -1.658 0.000 1.497) 2.234 2.519 ( 1.833 0.000 -2.957) 3.479 2.645 ( -0.375 0.000 0.471) 0.602 2.666 ( 0.819 0.000 -1.928) 2.094 2.730 ( 0.616 0.000 1.261) 1.403 2.742 ( 0.294 0.000 2.860) 2.875 2.774 ( -0.978 0.000 -0.053) 0.980 2.863 ( 0.428 0.000 1.436) 1.499 2.899 ( 2.283 0.000 -0.054) 2.283 2.929 ( -3.688 0.000 -0.889) 3.794 2.945 ( -2.522 0.000 1.654) 3.016 2.960 ( -0.635 0.000 0.110) 0.644 2.972 ( -0.610 0.000 -2.099) 2.186 3.015 ( -0.550 0.000 0.643) 0.846 3.064 ( 1.342 0.000 -2.294) 2.658 3.067 ( 0.833 0.000 -2.761) 2.884 3.105 ( -1.801 0.000 1.213) 2.171 3.169 ( -1.289 0.000 -2.683) 2.977 3.230 ( 0.177 0.000 0.956) 0.972 3.239 ( 0.247 0.000 -0.935) 0.967 3.259 ( -1.241 0.000 0.432) 1.314 3.322 ( -3.616 0.000 1.283) 3.837 3.368 ( -1.394 0.000 2.371) 2.750 3.382 ( 0.828 0.000 -0.622) 1.036 3.555 ( -1.345 0.000 0.096) 1.348 3.568 ( -0.888 0.000 0.221) 0.915 3.610 ( -0.632 0.000 0.440) 0.770 3.614 ( 0.142 0.000 -1.225) 1.233 3.650 ( -0.334 0.000 0.283) 0.438 3.670 ( -0.265 0.000 -0.642) 0.695 3.780 ( 0.047 0.000 0.270) 0.274 3.780 ( 0.018 0.000 -0.059) 0.062 3.828 ( 0.995 0.000 -0.251) 1.026 3.840 ( 0.202 0.000 0.126) 0.238 5.254 ( 0.347 0.000 0.244) 0.425 5.270 ( 0.694 0.000 -0.082) 0.699 5.345 ( 0.011 0.000 0.010) 0.015 5.349 ( 0.018 0.000 -0.001) 0.018 5.665 ( 0.118 0.000 -0.065) 0.135 5.674 ( -0.111 0.000 0.089) 0.142 5.955 ( 0.010 0.000 -0.033) 0.035 5.958 ( -0.155 0.000 0.024) 0.156 6.939 ( 0.142 0.000 -0.296) 0.328 6.944 ( -0.278 0.000 -0.030) 0.279 6.951 ( 0.119 0.000 0.287) 0.311 6.961 ( -0.095 0.000 0.037) 0.102 7.356 ( 0.279 0.000 0.225) 0.359 7.366 ( 0.391 0.000 -0.154) 0.420 7.387 ( -0.393 0.000 -0.009) 0.393 7.394 ( -0.415 0.000 -0.164) 0.446 7.587 ( -0.175 0.000 -0.025) 0.177 7.590 ( -0.164 0.000 0.060) 0.175 7.626 ( -0.541 0.000 0.480) 0.723 7.628 ( -0.234 0.000 -0.116) 0.262 7.959 ( 0.351 0.000 0.018) 0.351 7.967 ( 0.229 0.000 0.007) 0.230 8.126 ( -1.058 0.000 0.749) 1.297 8.144 ( -0.700 0.000 -0.350) 0.782 8.296 ( 1.132 0.000 0.017) 1.132 8.303 ( 1.154 0.000 -0.105) 1.159 8.504 ( 0.912 0.000 2.243) 2.421 8.566 ( 1.827 0.000 -1.553) 2.398 ======================= Grid point 42 (24/32) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -10.874 0.000 0.874) 10.909 0.660 ( -4.139 0.000 8.438) 9.398 0.717 ( 3.724 0.000 -4.486) 5.830 0.860 ( 5.667 0.000 -8.187) 9.957 0.941 ( -3.295 0.000 0.294) 3.308 0.983 ( -1.199 0.000 -2.823) 3.067 1.035 ( -6.407 0.000 -0.967) 6.479 1.041 ( 5.342 0.000 -0.543) 5.369 1.168 ( -0.517 0.000 0.412) 0.661 1.173 ( 1.846 0.000 -0.576) 1.934 1.209 ( -1.237 0.000 2.235) 2.554 1.217 ( -2.891 0.000 1.277) 3.161 1.222 ( 2.636 0.000 -0.120) 2.638 1.280 ( 0.550 0.000 0.792) 0.964 1.297 ( 0.681 0.000 -0.665) 0.952 1.316 ( -1.974 0.000 -4.785) 5.176 1.370 ( -3.918 0.000 2.576) 4.689 1.419 ( 4.217 0.000 -3.253) 5.326 1.439 ( 1.977 0.000 1.854) 2.711 1.451 ( 1.079 0.000 1.300) 1.689 1.523 ( -2.377 0.000 5.675) 6.153 1.561 ( 3.945 0.000 2.346) 4.590 1.580 ( -2.955 0.000 2.255) 3.717 1.590 ( -0.347 0.000 0.676) 0.760 1.606 ( 0.243 0.000 0.248) 0.347 1.652 ( -2.268 0.000 2.227) 3.179 1.657 ( -1.313 0.000 1.961) 2.359 1.660 ( 5.358 0.000 -3.532) 6.417 1.689 ( 2.294 0.000 -4.311) 4.883 1.702 ( -3.975 0.000 -0.956) 4.088 1.768 ( 2.150 0.000 1.668) 2.721 1.775 ( 2.320 0.000 -1.607) 2.823 1.802 ( 2.347 0.000 -0.759) 2.466 1.821 ( 2.947 0.000 -0.220) 2.955 1.833 ( -5.321 0.000 -2.221) 5.766 1.841 ( 0.164 0.000 -1.204) 1.215 1.890 ( -2.641 0.000 0.456) 2.680 1.901 ( 3.297 0.000 -0.565) 3.346 1.939 ( 1.163 0.000 0.805) 1.414 1.962 ( -1.441 0.000 -0.946) 1.724 2.016 ( -0.839 0.000 0.836) 1.184 2.028 ( -2.741 0.000 -1.045) 2.934 2.065 ( 1.626 0.000 0.795) 1.810 2.081 ( 0.845 0.000 -0.195) 0.867 2.165 ( -1.630 0.000 -0.274) 1.653 2.170 ( 1.327 0.000 -0.635) 1.471 2.185 ( -2.455 0.000 3.261) 4.081 2.202 ( -1.736 0.000 -0.169) 1.744 2.210 ( 0.106 0.000 -0.565) 0.575 2.241 ( 2.085 0.000 -1.489) 2.562 2.274 ( 1.557 0.000 0.432) 1.616 2.275 ( -0.080 0.000 2.597) 2.598 2.299 ( -0.953 0.000 0.155) 0.966 2.353 ( 1.248 0.000 -2.523) 2.815 2.441 ( 0.232 0.000 1.082) 1.107 2.457 ( 1.190 0.000 -0.085) 1.193 2.464 ( -2.144 0.000 1.724) 2.751 2.486 ( 1.810 0.000 -1.088) 2.112 2.500 ( 2.547 0.000 -0.180) 2.553 2.519 ( 1.164 0.000 -2.882) 3.108 2.641 ( -0.772 0.000 0.633) 0.998 2.657 ( 0.725 0.000 -1.448) 1.619 2.746 ( 0.055 0.000 1.584) 1.585 2.750 ( -1.643 0.000 0.926) 1.886 2.787 ( 2.126 0.000 1.886) 2.842 2.819 ( -3.029 0.000 -1.189) 3.254 2.897 ( -0.031 0.000 1.835) 1.835 2.909 ( -1.637 0.000 0.752) 1.802 2.947 ( -0.323 0.000 2.147) 2.171 2.954 ( -1.002 0.000 -0.803) 1.284 2.971 ( 2.368 0.000 -0.619) 2.448 2.997 ( -1.113 0.000 -0.252) 1.141 3.057 ( -0.714 0.000 -2.060) 2.180 3.062 ( 1.145 0.000 -2.206) 2.486 3.084 ( -0.395 0.000 1.343) 1.400 3.125 ( -0.096 0.000 -2.446) 2.448 3.229 ( -0.440 0.000 -0.154) 0.466 3.231 ( 0.274 0.000 -0.411) 0.494 3.270 ( 0.602 0.000 1.741) 1.843 3.289 ( -1.133 0.000 -0.121) 1.139 3.363 ( -1.560 0.000 2.293) 2.773 3.392 ( 1.048 0.000 -0.749) 1.288 3.550 ( 0.362 0.000 0.447) 0.575 3.555 ( -0.563 0.000 -0.088) 0.570 3.602 ( -0.577 0.000 0.240) 0.625 3.612 ( 0.719 0.000 -0.841) 1.107 3.648 ( -0.183 0.000 0.397) 0.437 3.660 ( 0.081 0.000 -0.732) 0.737 3.784 ( 0.029 0.000 0.166) 0.168 3.785 ( 0.216 0.000 0.067) 0.226 3.839 ( -0.278 0.000 -0.003) 0.278 3.839 ( 0.144 0.000 -0.019) 0.145 5.265 ( 0.181 0.000 0.534) 0.564 5.275 ( 0.072 0.000 -0.455) 0.460 5.346 ( 0.104 0.000 0.060) 0.120 5.347 ( -0.103 0.000 -0.062) 0.120 5.669 ( 0.278 0.000 0.055) 0.283 5.670 ( -0.261 0.000 -0.052) 0.266 5.956 ( -0.118 0.000 0.005) 0.119 5.956 ( 0.153 0.000 -0.017) 0.154 6.938 ( -0.303 0.000 0.029) 0.304 6.941 ( 0.339 0.000 -0.228) 0.408 6.956 ( 0.158 0.000 0.211) 0.264 6.958 ( -0.157 0.000 -0.040) 0.162 7.363 ( 0.040 0.000 0.273) 0.276 7.368 ( -0.011 0.000 -0.231) 0.232 7.383 ( -0.003 0.000 0.115) 0.115 7.386 ( -0.095 0.000 -0.199) 0.221 7.588 ( -0.148 0.000 0.018) 0.149 7.588 ( 0.240 0.000 -0.031) 0.242 7.621 ( -0.302 0.000 0.426) 0.522 7.628 ( 0.370 0.000 -0.206) 0.424 7.965 ( 0.185 0.000 0.118) 0.220 7.967 ( -0.162 0.000 -0.094) 0.187 8.122 ( -0.048 0.000 0.699) 0.701 8.135 ( 0.266 0.000 -0.561) 0.621 8.309 ( 0.121 0.000 0.102) 0.158 8.312 ( -0.104 0.000 -0.184) 0.211 8.530 ( -0.524 0.000 2.284) 2.343 8.575 ( 1.246 0.000 -2.126) 2.464 ======================= Grid point 43 (25/32) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -8.014 0.000 10.174) 12.951 0.615 ( -9.986 0.000 9.724) 13.938 0.754 ( 0.821 0.000 1.072) 1.350 0.823 ( -1.553 0.000 -5.293) 5.516 0.887 ( -8.177 0.000 -0.507) 8.192 0.955 ( 1.051 0.000 4.517) 4.638 0.971 ( -2.478 0.000 2.516) 3.532 1.031 ( -3.836 0.000 3.359) 5.099 1.107 ( -3.505 0.000 -0.589) 3.554 1.153 ( -0.528 0.000 -0.152) 0.549 1.167 ( -4.106 0.000 -3.232) 5.225 1.194 ( -3.565 0.000 -0.879) 3.672 1.199 ( -4.317 0.000 5.537) 7.021 1.261 ( 0.443 0.000 -3.204) 3.235 1.306 ( -3.846 0.000 2.522) 4.599 1.338 ( 0.191 0.000 0.517) 0.551 1.347 ( 2.993 0.000 -0.959) 3.143 1.422 ( -1.845 0.000 -3.684) 4.120 1.434 ( 0.971 0.000 -1.801) 2.046 1.479 ( 3.675 0.000 -1.386) 3.927 1.511 ( -2.450 0.000 1.196) 2.726 1.552 ( -3.164 0.000 -1.274) 3.411 1.579 ( -0.265 0.000 -0.391) 0.473 1.605 ( 0.177 0.000 4.400) 4.404 1.620 ( -0.565 0.000 0.498) 0.753 1.630 ( -0.169 0.000 1.415) 1.425 1.646 ( 1.105 0.000 -2.004) 2.289 1.661 ( -1.538 0.000 0.894) 1.779 1.669 ( 1.716 0.000 -2.059) 2.680 1.704 ( -3.549 0.000 -4.184) 5.486 1.741 ( 1.385 0.000 -0.467) 1.462 1.769 ( 0.895 0.000 -1.228) 1.520 1.803 ( 0.565 0.000 0.506) 0.758 1.815 ( -3.650 0.000 0.149) 3.653 1.851 ( 3.789 0.000 -3.978) 5.494 1.866 ( 3.246 0.000 1.587) 3.613 1.919 ( 3.215 0.000 -0.146) 3.219 1.926 ( -0.214 0.000 -1.016) 1.038 1.956 ( 1.118 0.000 -1.687) 2.024 1.987 ( 2.087 0.000 3.107) 3.743 2.022 ( 1.687 0.000 -0.119) 1.691 2.024 ( 0.420 0.000 1.339) 1.403 2.084 ( -0.837 0.000 -2.220) 2.372 2.135 ( 3.491 0.000 -0.236) 3.499 2.138 ( -0.424 0.000 1.222) 1.294 2.180 ( 0.864 0.000 1.621) 1.837 2.181 ( -0.732 0.000 1.462) 1.635 2.207 ( -0.453 0.000 0.134) 0.472 2.215 ( 2.360 0.000 -0.576) 2.429 2.228 ( 0.761 0.000 0.751) 1.069 2.281 ( 0.759 0.000 -0.563) 0.945 2.318 ( 0.694 0.000 -2.715) 2.802 2.323 ( 0.050 0.000 -0.189) 0.195 2.350 ( 2.637 0.000 0.189) 2.644 2.420 ( -3.266 0.000 1.211) 3.483 2.434 ( -0.364 0.000 -1.232) 1.285 2.440 ( -1.833 0.000 -2.454) 3.063 2.486 ( 0.049 0.000 0.374) 0.377 2.490 ( -1.528 0.000 -3.067) 3.427 2.526 ( 1.148 0.000 -2.829) 3.053 2.634 ( -0.426 0.000 1.048) 1.132 2.659 ( 0.554 0.000 -0.916) 1.070 2.738 ( -0.442 0.000 0.530) 0.690 2.760 ( -0.271 0.000 1.262) 1.291 2.792 ( 0.224 0.000 -0.766) 0.799 2.868 ( 2.339 0.000 1.541) 2.801 2.898 ( 0.467 0.000 1.967) 2.021 2.900 ( -1.719 0.000 0.329) 1.750 2.932 ( -0.706 0.000 0.712) 1.003 2.941 ( -1.792 0.000 1.929) 2.633 2.966 ( -0.371 0.000 -0.211) 0.426 3.007 ( 1.504 0.000 0.258) 1.526 3.040 ( 0.024 0.000 0.067) 0.071 3.063 ( 0.811 0.000 -2.035) 2.190 3.105 ( 0.471 0.000 2.763) 2.803 3.127 ( 1.741 0.000 -0.917) 1.968 3.222 ( -0.271 0.000 0.473) 0.545 3.241 ( 0.686 0.000 -0.144) 0.701 3.271 ( -0.395 0.000 -0.567) 0.691 3.319 ( 3.207 0.000 1.904) 3.730 3.357 ( -1.266 0.000 1.957) 2.331 3.403 ( 0.976 0.000 -1.160) 1.516 3.553 ( 0.521 0.000 0.207) 0.561 3.568 ( 0.968 0.000 0.262) 1.003 3.598 ( -0.034 0.000 0.432) 0.433 3.621 ( 0.933 0.000 -0.604) 1.112 3.653 ( 0.054 0.000 0.890) 0.892 3.660 ( 0.554 0.000 -0.686) 0.881 3.781 ( -0.263 0.000 -0.108) 0.285 3.786 ( -0.011 0.000 -0.273) 0.273 3.824 ( -1.200 0.000 0.139) 1.208 3.839 ( -0.320 0.000 0.214) 0.385 5.263 ( -0.663 0.000 -0.628) 0.913 5.267 ( -0.320 0.000 0.205) 0.380 5.345 ( -0.046 0.000 -0.043) 0.063 5.348 ( 0.028 0.000 0.041) 0.050 5.665 ( -0.217 0.000 -0.035) 0.220 5.675 ( 0.255 0.000 -0.001) 0.255 5.955 ( 0.006 0.000 -0.024) 0.025 5.959 ( 0.147 0.000 -0.031) 0.150 6.935 ( -0.137 0.000 0.122) 0.184 6.946 ( 0.363 0.000 -0.201) 0.415 6.955 ( -0.100 0.000 -0.143) 0.175 6.960 ( 0.123 0.000 0.113) 0.167 7.362 ( -0.310 0.000 -0.272) 0.412 7.362 ( -0.337 0.000 0.225) 0.405 7.387 ( 0.285 0.000 -0.056) 0.290 7.390 ( 0.448 0.000 0.218) 0.498 7.588 ( 0.215 0.000 -0.056) 0.222 7.592 ( 0.146 0.000 -0.060) 0.158 7.626 ( 0.387 0.000 0.184) 0.429 7.635 ( 0.540 0.000 -0.372) 0.656 7.960 ( -0.446 0.000 -0.099) 0.457 7.966 ( -0.148 0.000 0.064) 0.161 8.137 ( 0.959 0.000 0.409) 1.042 8.143 ( 1.285 0.000 -0.912) 1.576 8.298 ( -1.158 0.000 -0.143) 1.167 8.301 ( -1.068 0.000 0.110) 1.074 8.533 ( -1.208 0.000 1.704) 2.088 8.562 ( -0.073 0.000 -3.484) 3.485 ======================= Grid point 44 (26/32) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -5.517 0.000 11.796) 13.022 0.526 ( -9.759 0.000 11.193) 14.850 0.687 ( -4.098 0.000 -2.771) 4.947 0.777 ( 1.102 0.000 -0.863) 1.400 0.838 ( -0.785 0.000 4.594) 4.661 0.889 ( -6.814 0.000 1.116) 6.904 0.949 ( -9.770 0.000 11.943) 15.430 0.997 ( -3.094 0.000 5.263) 6.105 1.032 ( -4.048 0.000 -3.515) 5.361 1.104 ( -3.882 0.000 -1.853) 4.301 1.134 ( 2.089 0.000 4.832) 5.264 1.170 ( 0.714 0.000 1.377) 1.551 1.203 ( -0.466 0.000 2.746) 2.785 1.256 ( 2.195 0.000 -2.792) 3.552 1.275 ( -3.612 0.000 2.643) 4.476 1.327 ( -0.790 0.000 2.475) 2.598 1.355 ( -0.127 0.000 -3.603) 3.605 1.387 ( 0.749 0.000 3.778) 3.852 1.439 ( 1.825 0.000 -2.556) 3.140 1.477 ( -2.083 0.000 -0.468) 2.135 1.482 ( -0.639 0.000 -3.280) 3.342 1.533 ( 0.687 0.000 0.617) 0.923 1.575 ( -2.103 0.000 -1.740) 2.730 1.601 ( -2.080 0.000 -2.269) 3.078 1.613 ( 0.535 0.000 -1.078) 1.203 1.620 ( 2.900 0.000 -4.901) 5.695 1.641 ( -1.389 0.000 2.453) 2.819 1.654 ( 0.209 0.000 0.172) 0.270 1.667 ( 2.451 0.000 1.006) 2.650 1.669 ( -0.676 0.000 0.358) 0.764 1.739 ( -1.115 0.000 -1.616) 1.963 1.765 ( -0.135 0.000 -1.896) 1.901 1.800 ( -0.844 0.000 -0.141) 0.856 1.807 ( 2.658 0.000 1.181) 2.909 1.856 ( 1.032 0.000 -4.277) 4.400 1.877 ( 0.117 0.000 -4.973) 4.974 1.919 ( -0.010 0.000 -1.443) 1.443 1.931 ( 0.257 0.000 -2.958) 2.969 2.000 ( -0.152 0.000 -0.795) 0.810 2.008 ( 0.023 0.000 -3.845) 3.845 2.032 ( 2.857 0.000 2.531) 3.816 2.057 ( 0.288 0.000 3.563) 3.574 2.082 ( 2.270 0.000 -0.168) 2.277 2.144 ( -0.336 0.000 -2.243) 2.268 2.152 ( -0.067 0.000 1.864) 1.865 2.180 ( -1.377 0.000 -3.265) 3.544 2.181 ( -0.661 0.000 0.414) 0.781 2.185 ( 0.014 0.000 0.175) 0.176 2.222 ( -4.623 0.000 -0.343) 4.635 2.269 ( -0.280 0.000 0.022) 0.281 2.279 ( 0.210 0.000 -0.983) 1.005 2.281 ( 0.151 0.000 -1.977) 1.983 2.323 ( -0.741 0.000 0.070) 0.745 2.398 ( 0.075 0.000 -0.530) 0.535 2.406 ( 2.087 0.000 2.358) 3.149 2.407 ( 0.794 0.000 0.529) 0.954 2.437 ( 1.830 0.000 -1.114) 2.142 2.470 ( 3.103 0.000 1.514) 3.453 2.473 ( -0.737 0.000 0.777) 1.071 2.529 ( 2.308 0.000 -1.479) 2.741 2.637 ( -0.774 0.000 0.325) 0.839 2.660 ( 0.408 0.000 -1.175) 1.244 2.722 ( -1.449 0.000 -1.519) 2.100 2.735 ( -2.815 0.000 -2.203) 3.574 2.791 ( -0.558 0.000 2.501) 2.562 2.858 ( -1.304 0.000 -0.203) 1.320 2.870 ( 0.671 0.000 -1.716) 1.842 2.892 ( -2.307 0.000 1.471) 2.736 2.963 ( 0.921 0.000 3.451) 3.571 2.980 ( 0.570 0.000 1.118) 1.255 3.008 ( 0.467 0.000 3.134) 3.169 3.027 ( 1.765 0.000 0.081) 1.767 3.036 ( -0.284 0.000 -0.257) 0.383 3.056 ( 0.782 0.000 -1.864) 2.022 3.138 ( 0.616 0.000 -0.979) 1.157 3.160 ( 0.895 0.000 3.527) 3.638 3.222 ( -0.879 0.000 0.403) 0.967 3.235 ( -0.554 0.000 -1.296) 1.409 3.284 ( 1.889 0.000 1.926) 2.698 3.351 ( -1.260 0.000 1.844) 2.233 3.403 ( 0.505 0.000 -1.459) 1.544 3.444 ( 8.056 0.000 -0.867) 8.103 3.577 ( 1.070 0.000 1.017) 1.476 3.587 ( 1.010 0.000 0.120) 1.017 3.608 ( 0.341 0.000 0.594) 0.685 3.633 ( 1.055 0.000 -0.753) 1.296 3.663 ( 0.597 0.000 -0.773) 0.977 3.665 ( -0.105 0.000 0.870) 0.876 3.780 ( 0.136 0.000 0.374) 0.398 3.780 ( -0.206 0.000 -0.125) 0.241 3.807 ( -0.646 0.000 0.355) 0.737 3.842 ( 0.663 0.000 -0.037) 0.664 5.251 ( -0.018 0.000 0.015) 0.023 5.261 ( -0.238 0.000 -0.176) 0.296 5.345 ( -0.019 0.000 -0.004) 0.020 5.348 ( -0.107 0.000 -0.009) 0.107 5.663 ( -0.024 0.000 0.114) 0.117 5.676 ( -0.033 0.000 -0.210) 0.213 5.956 ( 0.154 0.000 0.001) 0.154 5.961 ( 0.094 0.000 -0.006) 0.094 6.935 ( 0.002 0.000 0.226) 0.226 6.947 ( -0.009 0.000 -0.122) 0.123 6.951 ( -0.142 0.000 -0.217) 0.260 6.961 ( -0.063 0.000 -0.038) 0.074 7.354 ( -0.176 0.000 -0.213) 0.276 7.356 ( -0.407 0.000 0.121) 0.424 7.392 ( 0.093 0.000 0.115) 0.148 7.400 ( 0.333 0.000 0.156) 0.367 7.594 ( 0.186 0.000 -0.011) 0.186 7.595 ( 0.496 0.000 -0.040) 0.497 7.633 ( 0.241 0.000 -0.063) 0.249 7.637 ( 0.198 0.000 -0.451) 0.493 7.952 ( -0.264 0.000 0.054) 0.269 7.962 ( -0.283 0.000 -0.060) 0.290 8.155 ( 0.873 0.000 -0.985) 1.316 8.158 ( 0.872 0.000 0.060) 0.874 8.274 ( -1.120 0.000 -0.047) 1.121 8.278 ( -1.327 0.000 0.039) 1.327 8.492 ( -3.162 0.000 -2.661) 4.133 8.517 ( -2.018 0.000 0.729) 2.145 ======================= Grid point 45 (27/32) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -3.160 3.013 9.206) 10.189 0.635 ( 0.524 -2.242 3.135) 3.890 0.705 ( 1.120 -0.414 0.184) 1.208 0.771 ( 1.020 -2.177 0.666) 2.495 0.850 ( -0.444 7.256 3.422) 8.035 0.914 ( -0.130 5.835 -1.893) 6.136 0.962 ( -0.653 -0.751 -0.874) 1.325 1.006 ( 2.269 7.977 -5.788) 10.113 1.042 ( 0.119 -4.731 10.689) 11.690 1.141 ( -1.338 -0.201 1.613) 2.106 1.149 ( 0.621 1.294 3.136) 3.449 1.178 ( -1.413 3.697 9.882) 10.645 1.198 ( 1.582 -1.843 -3.534) 4.288 1.262 ( 0.614 1.165 2.528) 2.850 1.313 ( -0.639 2.483 1.068) 2.777 1.329 ( 0.305 1.716 -0.290) 1.767 1.365 ( 0.736 -0.135 -5.795) 5.844 1.403 ( 0.205 -0.619 -2.035) 2.137 1.443 ( -0.155 0.102 4.536) 4.539 1.458 ( 1.369 -0.951 -0.162) 1.674 1.484 ( 0.946 -1.714 -2.183) 2.933 1.519 ( -2.013 -0.691 1.263) 2.474 1.528 ( 1.704 -0.371 1.976) 2.635 1.556 ( 0.139 -0.882 -0.615) 1.084 1.571 ( -0.897 -0.469 -2.216) 2.437 1.600 ( 0.776 -0.107 0.998) 1.269 1.603 ( -0.866 1.404 -1.908) 2.522 1.667 ( -1.589 -1.000 -3.840) 4.274 1.711 ( -0.590 -0.363 1.501) 1.653 1.717 ( 0.321 -2.850 0.869) 2.997 1.772 ( 2.042 2.082 1.454) 3.258 1.804 ( 0.426 2.903 0.709) 3.018 1.819 ( 0.980 -1.548 -0.620) 1.934 1.824 ( -0.687 1.757 -0.676) 2.004 1.863 ( -0.006 0.223 -1.107) 1.129 1.874 ( -0.559 4.174 -2.677) 4.990 1.881 ( 2.399 -1.595 0.118) 2.883 1.907 ( -1.119 -1.468 -1.873) 2.630 1.924 ( 1.019 -0.545 0.361) 1.210 1.956 ( -3.035 1.782 -3.220) 4.770 1.987 ( -2.632 -2.260 -3.658) 5.042 2.001 ( -0.372 -5.073 -4.764) 6.969 2.050 ( 1.357 -2.995 0.911) 3.412 2.070 ( -1.783 -1.511 -0.588) 2.410 2.094 ( 0.010 -3.313 2.039) 3.890 2.122 ( 0.391 -2.501 -0.180) 2.538 2.158 ( -1.557 -1.364 0.590) 2.153 2.160 ( 1.179 -1.947 -0.067) 2.277 2.179 ( 0.707 0.117 -0.808) 1.080 2.196 ( 0.582 -2.496 -3.156) 4.065 2.276 ( -0.299 -0.047 1.899) 1.923 2.289 ( -1.111 0.404 1.369) 1.809 2.312 ( -0.930 0.059 -1.161) 1.489 2.326 ( 0.311 1.648 -1.692) 2.383 2.377 ( -0.506 -1.067 0.257) 1.209 2.402 ( 0.949 -2.053 -2.311) 3.234 2.546 ( 2.097 2.622 2.869) 4.416 2.566 ( 0.483 1.811 2.745) 3.324 2.585 ( 1.304 0.395 0.730) 1.545 2.594 ( 2.228 0.481 1.073) 2.519 2.647 ( -0.119 2.302 -0.763) 2.428 2.672 ( -0.719 1.442 -0.696) 1.755 2.676 ( -1.237 0.970 -2.668) 3.097 2.689 ( -0.252 0.467 -2.089) 2.155 2.826 ( -2.272 1.935 3.421) 4.540 2.863 ( -0.973 1.039 2.069) 2.511 2.895 ( 1.302 -0.259 -0.729) 1.515 2.907 ( -0.068 1.001 -0.096) 1.008 2.932 ( -0.826 -1.382 0.612) 1.723 2.964 ( 1.159 -2.991 -1.873) 3.715 2.989 ( 0.215 -0.693 0.966) 1.208 3.010 ( 0.178 -2.137 -0.384) 2.179 3.066 ( -0.020 1.540 1.411) 2.089 3.081 ( 0.347 0.357 0.115) 0.511 3.168 ( -0.010 0.082 0.792) 0.796 3.172 ( 0.302 -0.358 0.403) 0.618 3.259 ( 0.319 2.646 1.057) 2.867 3.282 ( -0.752 2.616 -0.961) 2.886 3.309 ( -0.246 -1.658 1.122) 2.017 3.326 ( -0.548 -5.836 0.211) 5.866 3.382 ( 0.118 3.659 1.266) 3.873 3.400 ( -0.219 2.107 -0.606) 2.203 3.520 ( -0.263 -4.739 0.884) 4.828 3.529 ( 0.142 -5.049 -0.110) 5.052 3.636 ( -0.017 1.377 1.190) 1.820 3.658 ( 0.311 0.276 -0.285) 0.504 3.667 ( 0.058 0.269 -0.395) 0.481 3.677 ( -0.032 -0.155 -0.683) 0.701 3.768 ( 0.413 -0.710 0.433) 0.928 3.774 ( 0.043 -1.006 -0.062) 1.009 3.806 ( 0.121 -0.183 0.333) 0.398 3.816 ( -0.672 -1.037 -0.544) 1.350 5.273 ( -0.050 1.563 0.131) 1.569 5.277 ( 0.034 1.484 -0.209) 1.499 5.318 ( -0.014 -1.868 0.070) 1.870 5.319 ( -0.011 -1.808 -0.067) 1.809 5.750 ( 0.119 6.251 0.104) 6.253 5.753 ( -0.107 6.056 -0.151) 6.059 5.894 ( -0.034 -5.253 0.046) 5.254 5.895 ( 0.048 -5.326 -0.058) 5.327 6.942 ( -0.016 0.269 0.118) 0.295 6.944 ( 0.029 0.037 -0.132) 0.140 6.948 ( 0.186 -0.254 0.157) 0.352 6.951 ( -0.167 -0.439 -0.131) 0.488 7.362 ( -0.005 0.705 0.278) 0.758 7.370 ( -0.078 0.652 -0.488) 0.818 7.384 ( 0.195 -0.693 0.469) 0.859 7.392 ( -0.030 -0.751 -0.254) 0.793 7.641 ( -0.074 1.119 0.849) 1.406 7.641 ( 0.328 1.292 0.986) 1.659 7.671 ( 0.121 2.131 -1.207) 2.451 7.693 ( -0.673 1.757 -3.348) 3.840 8.012 ( 0.330 4.737 0.442) 4.769 8.028 ( -0.608 6.191 -1.462) 6.391 8.118 ( 0.541 -3.448 0.842) 3.591 8.142 ( -0.435 -2.725 -1.669) 3.225 8.317 ( 0.716 4.183 0.406) 4.263 8.327 ( -0.644 4.504 -0.732) 4.609 8.419 ( 1.730 -4.039 0.524) 4.425 8.430 ( -1.352 -3.878 -0.576) 4.147 ======================= Grid point 46 (28/32) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 2.408 2.427 5.054) 6.102 0.672 ( 2.516 -0.122 -0.586) 2.586 0.761 ( 2.657 -0.614 -0.706) 2.817 0.805 ( 4.842 -3.558 -3.866) 7.145 0.921 ( 3.248 6.272 2.450) 7.476 0.938 ( 1.373 3.680 2.627) 4.725 0.948 ( 3.098 4.482 -3.456) 6.452 1.012 ( 2.831 4.315 -2.965) 5.952 1.113 ( -0.186 -5.773 1.991) 6.110 1.147 ( 0.662 -2.032 -4.075) 4.602 1.166 ( 1.238 0.054 3.029) 3.273 1.206 ( 1.049 -2.395 -2.112) 3.361 1.243 ( -0.712 0.408 -2.766) 2.885 1.266 ( 0.084 -1.946 1.552) 2.490 1.303 ( -0.819 0.944 2.173) 2.506 1.327 ( -0.283 0.919 -2.718) 2.884 1.357 ( 0.296 0.507 6.118) 6.146 1.392 ( 1.636 1.926 -3.085) 3.988 1.431 ( -1.535 0.263 2.061) 2.584 1.461 ( -0.093 0.417 -4.796) 4.815 1.483 ( -0.560 -3.762 1.160) 3.977 1.492 ( -0.733 0.221 -1.799) 1.956 1.516 ( -1.342 0.914 -0.708) 1.771 1.552 ( -1.843 1.279 0.537) 2.307 1.571 ( 2.918 4.822 2.628) 6.218 1.600 ( 2.015 -1.067 -2.369) 3.288 1.634 ( 1.260 0.713 1.775) 2.291 1.678 ( 2.199 0.790 0.998) 2.541 1.715 ( -0.356 0.010 -1.120) 1.176 1.737 ( 2.081 -1.601 -1.209) 2.891 1.767 ( -2.446 -0.054 0.238) 2.459 1.771 ( -0.628 -0.337 -0.869) 1.124 1.811 ( -1.053 3.663 0.905) 3.917 1.832 ( 0.455 2.306 -0.176) 2.357 1.843 ( 0.535 1.110 1.727) 2.121 1.866 ( -0.018 1.230 -2.496) 2.782 1.890 ( 0.937 1.888 -0.605) 2.193 1.907 ( -0.132 0.918 0.143) 0.938 1.925 ( 0.809 -1.575 -0.203) 1.782 1.948 ( 1.005 -3.983 0.314) 4.119 1.989 ( 0.148 -3.387 0.941) 3.518 2.007 ( 2.214 -2.945 3.787) 5.283 2.058 ( 0.646 -2.678 0.210) 2.763 2.090 ( 1.607 -3.602 0.572) 3.986 2.105 ( -0.275 0.069 0.459) 0.540 2.127 ( 0.841 -1.328 -0.944) 1.833 2.142 ( 0.833 -0.209 1.991) 2.168 2.192 ( 1.382 -0.793 -0.455) 1.657 2.197 ( 1.448 -4.511 -1.374) 4.933 2.201 ( 2.639 -3.231 -0.552) 4.208 2.271 ( -1.391 0.752 1.114) 1.934 2.289 ( -1.054 1.472 1.946) 2.658 2.303 ( -0.094 -0.733 1.219) 1.426 2.326 ( 0.949 1.180 -0.347) 1.554 2.363 ( -1.208 -1.467 -0.407) 1.943 2.393 ( -0.367 -2.278 -0.607) 2.386 2.504 ( -4.315 2.205 -1.501) 5.073 2.526 ( -3.902 0.640 -1.844) 4.363 2.552 ( -3.289 2.885 -2.175) 4.887 2.596 ( -1.496 0.398 -4.162) 4.440 2.643 ( 1.227 1.598 1.771) 2.682 2.666 ( -0.150 1.286 0.410) 1.359 2.691 ( 1.175 -0.444 1.197) 1.735 2.708 ( 1.634 -0.212 0.326) 1.680 2.812 ( -2.150 2.253 2.548) 4.024 2.872 ( -1.104 -1.452 1.693) 2.489 2.895 ( 1.427 1.904 -0.444) 2.420 2.918 ( -0.172 -0.948 0.611) 1.141 2.937 ( 0.921 0.252 -0.925) 1.329 2.970 ( -0.854 -2.420 0.448) 2.605 2.996 ( -0.390 -1.046 -0.680) 1.308 3.008 ( 2.069 -1.696 -1.018) 2.863 3.071 ( -0.448 1.431 -0.175) 1.510 3.080 ( 0.223 0.721 -0.536) 0.926 3.161 ( -0.929 0.453 -0.307) 1.078 3.178 ( 0.044 -0.887 -0.514) 1.026 3.260 ( -0.458 3.410 -0.663) 3.504 3.277 ( -0.400 0.801 1.080) 1.402 3.299 ( -1.378 -1.596 0.591) 2.189 3.306 ( -1.445 -2.930 1.155) 3.465 3.393 ( 0.192 2.782 -0.631) 2.859 3.398 ( 0.299 3.938 0.935) 4.058 3.516 ( -0.768 -4.545 0.321) 4.621 3.529 ( -0.180 -4.453 -0.179) 4.460 3.639 ( -0.678 1.410 0.694) 1.711 3.647 ( -0.157 0.818 -1.270) 1.519 3.658 ( -0.627 0.354 -0.033) 0.721 3.676 ( -0.024 -0.659 -0.125) 0.671 3.766 ( -0.390 -0.659 0.123) 0.775 3.773 ( 0.133 -1.162 -0.454) 1.254 3.805 ( 0.022 -0.075 0.123) 0.146 3.820 ( 0.335 -0.998 0.495) 1.164 5.274 ( -0.016 1.597 -0.083) 1.599 5.276 ( 0.205 1.503 0.054) 1.518 5.319 ( 0.119 -1.821 0.027) 1.825 5.320 ( 0.161 -1.833 0.027) 1.841 5.749 ( -0.131 6.145 -0.104) 6.148 5.754 ( 0.083 6.093 0.092) 6.095 5.892 ( -0.155 -5.273 0.016) 5.275 5.896 ( -0.027 -5.265 -0.041) 5.266 6.942 ( -0.026 0.050 0.049) 0.075 6.944 ( 0.046 0.167 -0.079) 0.191 6.946 ( -0.185 -0.265 -0.084) 0.334 6.953 ( 0.125 -0.478 0.071) 0.499 7.364 ( -0.070 0.691 -0.148) 0.710 7.366 ( 0.024 0.733 0.224) 0.767 7.383 ( -0.397 -0.740 -0.274) 0.883 7.389 ( -0.132 -0.830 0.060) 0.843 7.629 ( -1.262 1.597 -0.167) 2.043 7.642 ( -1.388 1.584 -1.137) 2.394 7.647 ( -0.896 1.355 0.896) 1.855 7.667 ( -0.863 0.907 0.826) 1.500 8.010 ( -0.274 4.614 -0.348) 4.636 8.023 ( 0.145 5.136 0.551) 5.167 8.109 ( -1.115 -3.092 -0.414) 3.312 8.128 ( -0.529 -3.086 0.500) 3.171 8.322 ( 0.645 3.863 -0.320) 3.929 8.346 ( 1.668 5.002 0.171) 5.275 8.418 ( 0.654 -3.852 -0.001) 3.907 8.469 ( 2.679 -4.901 -0.361) 5.597 ======================= Grid point 47 (29/32) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 1.810 2.025 1.055) 2.914 0.729 ( 3.139 0.068 -4.942) 5.855 0.779 ( -0.109 -2.835 1.934) 3.434 0.797 ( -0.676 -2.266 -4.320) 4.925 0.921 ( 3.272 4.149 -6.528) 8.398 0.989 ( 2.152 -0.327 -3.656) 4.255 1.019 ( -0.158 0.798 -1.864) 2.034 1.067 ( 1.106 -0.617 6.063) 6.194 1.089 ( 0.171 -3.014 -0.517) 3.063 1.135 ( -1.039 1.805 -3.007) 3.658 1.145 ( -1.043 -2.720 -3.683) 4.696 1.185 ( 0.158 -1.386 -1.478) 2.033 1.242 ( -0.685 0.586 -2.126) 2.309 1.281 ( 4.010 -2.066 2.795) 5.306 1.302 ( 3.440 1.821 1.231) 4.082 1.344 ( 3.198 -1.270 0.039) 3.441 1.382 ( -1.103 0.813 0.747) 1.560 1.399 ( -1.040 -0.199 1.174) 1.581 1.422 ( -0.786 2.713 2.341) 3.668 1.469 ( 0.447 1.380 -1.102) 1.822 1.498 ( 1.934 1.527 0.651) 2.549 1.509 ( 1.472 -0.921 3.022) 3.485 1.542 ( 3.314 0.115 1.988) 3.866 1.551 ( 0.647 1.431 3.051) 3.431 1.629 ( 2.480 -1.904 -0.403) 3.152 1.645 ( 2.500 1.627 0.569) 3.037 1.668 ( 1.158 1.328 -0.891) 1.974 1.683 ( -0.597 2.082 -1.164) 2.460 1.715 ( 0.809 -0.715 -1.405) 1.772 1.733 ( -0.829 -0.169 0.908) 1.242 1.752 ( -2.987 3.660 -0.545) 4.756 1.756 ( 0.745 1.360 1.080) 1.890 1.813 ( 0.728 1.131 0.526) 1.444 1.821 ( 0.451 -1.938 -2.388) 3.109 1.843 ( 0.238 0.287 0.110) 0.389 1.853 ( -0.625 1.977 -1.467) 2.540 1.899 ( 0.152 1.122 1.515) 1.892 1.920 ( -0.464 -1.545 -2.912) 3.329 1.940 ( -0.741 -2.280 -0.480) 2.445 1.971 ( -0.218 0.769 2.188) 2.329 1.982 ( 2.383 -1.593 -1.131) 3.082 2.064 ( 0.835 -1.546 -0.136) 1.762 2.075 ( 0.701 -0.122 0.565) 0.909 2.086 ( -1.529 0.627 2.512) 3.007 2.108 ( 0.294 -1.914 0.079) 1.938 2.128 ( -1.683 -0.395 0.304) 1.755 2.192 ( 0.201 -3.033 -1.016) 3.205 2.213 ( 1.305 -7.333 -2.240) 7.778 2.235 ( 0.677 0.140 3.135) 3.210 2.251 ( 1.856 0.224 2.458) 3.088 2.266 ( -1.372 0.672 -0.197) 1.540 2.270 ( -1.363 0.545 1.052) 1.806 2.296 ( -1.853 0.089 -1.869) 2.634 2.325 ( -0.357 -1.966 1.773) 2.672 2.351 ( 1.390 1.545 0.821) 2.234 2.397 ( 2.229 -2.027 -0.411) 3.041 2.440 ( -2.729 0.793 -0.424) 2.873 2.452 ( -0.777 0.468 -0.510) 1.041 2.483 ( -0.917 0.896 -1.170) 1.736 2.532 ( -0.453 -1.338 -3.220) 3.516 2.657 ( -0.728 2.401 0.946) 2.681 2.682 ( 0.758 0.476 1.682) 1.905 2.711 ( 0.348 -1.497 0.307) 1.567 2.725 ( -0.273 -1.627 0.961) 1.909 2.798 ( -1.610 2.920 1.682) 3.734 2.861 ( -0.818 -1.903 0.118) 2.075 2.900 ( -2.583 -1.106 -0.370) 2.834 2.904 ( -2.309 -1.480 -1.193) 2.991 2.934 ( 1.130 1.635 1.067) 2.256 2.958 ( -0.117 -0.677 1.714) 1.847 2.997 ( 1.185 1.503 -1.844) 2.658 3.034 ( 1.359 -1.156 -1.171) 2.134 3.065 ( 0.553 1.045 -0.425) 1.256 3.076 ( -0.079 0.233 -0.822) 0.858 3.128 ( -1.610 0.895 -1.102) 2.147 3.152 ( -1.031 -1.188 -2.333) 2.813 3.257 ( 0.540 2.344 0.432) 2.444 3.270 ( -0.292 1.085 1.053) 1.540 3.291 ( -0.914 -0.389 0.961) 1.383 3.309 ( -0.194 0.659 1.268) 1.442 3.394 ( 0.489 3.044 -0.661) 3.153 3.402 ( -0.819 4.238 0.356) 4.331 3.501 ( -0.772 -4.257 0.170) 4.330 3.519 ( -0.575 -4.194 -0.345) 4.247 3.629 ( -0.853 1.386 0.261) 1.648 3.633 ( 0.085 1.217 -1.227) 1.730 3.649 ( -0.304 -0.137 0.004) 0.333 3.668 ( -0.434 -0.813 -0.516) 1.057 3.767 ( -0.109 -0.459 0.740) 0.878 3.776 ( 0.562 -0.869 -0.394) 1.107 3.812 ( 0.403 -0.307 0.342) 0.611 3.826 ( 0.115 -1.022 0.115) 1.035 5.274 ( 0.229 1.614 0.009) 1.630 5.284 ( 0.370 1.117 -0.034) 1.177 5.322 ( 0.251 -1.628 0.031) 1.647 5.325 ( 0.168 -1.652 0.120) 1.665 5.747 ( -0.002 6.162 0.018) 6.162 5.755 ( -0.075 5.992 0.009) 5.992 5.890 ( -0.064 -5.275 0.063) 5.275 5.894 ( -0.077 -5.219 -0.059) 5.219 6.942 ( -0.170 -0.059 0.024) 0.182 6.942 ( 0.070 0.225 -0.152) 0.281 6.945 ( 0.027 -0.271 0.129) 0.301 6.953 ( -0.067 -0.551 -0.020) 0.555 7.363 ( 0.008 0.365 -0.051) 0.368 7.367 ( -0.072 0.456 -0.028) 0.462 7.375 ( -0.190 -0.685 -0.013) 0.711 7.385 ( -0.281 -0.724 -0.076) 0.781 7.608 ( -0.625 1.320 -0.121) 1.466 7.618 ( -0.720 1.342 0.052) 1.524 7.634 ( -1.150 0.463 0.503) 1.338 7.650 ( -1.391 0.267 0.410) 1.475 8.008 ( 0.135 3.758 0.088) 3.762 8.024 ( -0.176 4.185 -0.085) 4.190 8.097 ( -0.470 -2.387 0.657) 2.520 8.118 ( -0.741 -2.424 0.200) 2.542 8.339 ( 1.050 3.802 0.298) 3.956 8.370 ( 0.977 4.971 -0.414) 5.083 8.446 ( 0.985 -4.386 1.479) 4.732 8.500 ( 1.444 -5.156 -1.059) 5.458 ======================= Grid point 48 (30/32) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -8.514 2.569 0.254) 8.896 0.706 ( -1.772 0.529 4.530) 4.893 0.718 ( 1.437 -0.174 -3.432) 3.725 0.800 ( 1.250 -6.357 -2.677) 7.010 0.899 ( -3.466 -0.845 -0.235) 3.575 0.936 ( -1.616 -2.730 -1.363) 3.453 1.009 ( 2.778 0.117 -2.720) 3.890 1.026 ( -1.016 0.150 -2.687) 2.876 1.122 ( -0.429 -1.779 -0.511) 1.900 1.131 ( 2.261 -2.228 -1.702) 3.601 1.143 ( -1.617 -1.523 0.662) 2.317 1.157 ( 0.739 -2.538 -0.780) 2.756 1.262 ( 0.393 4.407 3.343) 5.545 1.326 ( -2.047 1.464 -1.832) 3.112 1.358 ( -1.355 -0.677 2.503) 2.926 1.385 ( 2.666 -0.223 -1.173) 2.921 1.394 ( -0.963 2.782 1.332) 3.232 1.406 ( 1.535 1.068 0.455) 1.925 1.465 ( 3.873 2.642 2.081) 5.129 1.494 ( -0.119 -0.392 1.196) 1.265 1.534 ( 0.135 4.130 1.466) 4.385 1.566 ( 0.658 0.280 4.242) 4.302 1.589 ( 0.301 0.920 3.499) 3.630 1.600 ( -2.429 2.025 -0.930) 3.296 1.635 ( -2.892 -1.518 -1.185) 3.474 1.647 ( 0.696 0.906 -0.565) 1.274 1.656 ( 1.192 1.582 -0.880) 2.168 1.689 ( -0.132 -0.847 -1.761) 1.958 1.705 ( -0.631 0.671 0.217) 0.947 1.726 ( 1.790 0.625 -0.580) 1.983 1.746 ( 0.710 -1.253 -0.258) 1.463 1.759 ( 1.528 -0.881 -1.768) 2.497 1.804 ( -1.060 2.818 -0.785) 3.112 1.823 ( 0.817 0.595 1.157) 1.536 1.828 ( -1.346 -0.483 -1.398) 2.000 1.845 ( 0.228 -0.263 -0.761) 0.837 1.892 ( 1.410 -0.865 -1.414) 2.176 1.911 ( -0.519 -0.928 -2.071) 2.328 1.931 ( 1.101 -0.727 1.427) 1.943 1.967 ( -0.298 -1.911 -0.908) 2.137 2.004 ( -1.619 1.505 0.816) 2.356 2.030 ( -0.152 0.071 -1.404) 1.414 2.047 ( -3.260 -0.031 0.360) 3.280 2.066 ( 0.737 -0.584 -1.438) 1.718 2.137 ( -0.635 -2.042 3.946) 4.488 2.141 ( 0.927 -1.305 3.052) 3.446 2.181 ( 0.882 0.275 1.511) 1.771 2.201 ( -0.666 0.517 -0.747) 1.126 2.215 ( -0.606 0.422 -1.680) 1.835 2.243 ( 1.356 -2.145 -3.437) 4.273 2.261 ( -0.834 -1.839 1.132) 2.315 2.289 ( 1.773 -0.902 -0.868) 2.170 2.318 ( 0.230 -1.606 2.062) 2.624 2.349 ( 1.121 -2.066 0.123) 2.354 2.365 ( 0.760 0.779 -1.812) 2.113 2.376 ( -0.948 0.146 -1.758) 2.003 2.453 ( 2.160 -0.636 0.424) 2.291 2.467 ( 0.661 -1.085 -0.691) 1.446 2.483 ( -0.409 0.030 0.760) 0.863 2.520 ( 1.122 -1.711 -1.708) 2.665 2.668 ( -0.135 2.763 2.283) 3.586 2.703 ( 0.288 1.132 -0.213) 1.187 2.720 ( -0.110 -1.577 1.095) 1.923 2.728 ( 0.082 -1.612 0.680) 1.752 2.799 ( 0.379 2.183 1.974) 2.967 2.829 ( -2.194 0.825 -1.000) 2.548 2.856 ( -0.093 -2.331 0.575) 2.402 2.865 ( -1.533 -2.528 -0.165) 2.961 2.953 ( -1.102 1.227 1.704) 2.372 2.979 ( -0.187 -0.463 2.251) 2.305 2.996 ( 1.147 1.954 -2.421) 3.316 3.028 ( 0.012 -0.084 -2.010) 2.012 3.062 ( -0.913 0.995 0.457) 1.426 3.078 ( 0.214 -0.293 0.783) 0.863 3.096 ( 0.160 1.087 -1.704) 2.027 3.117 ( 0.018 -0.699 -2.156) 2.267 3.279 ( 0.081 1.083 1.091) 1.540 3.285 ( 0.238 2.286 0.610) 2.378 3.290 ( 0.758 0.886 0.792) 1.410 3.303 ( -0.835 1.209 -0.307) 1.501 3.382 ( -1.470 4.246 0.779) 4.561 3.398 ( 0.724 2.377 -0.616) 2.560 3.498 ( -0.068 -4.009 0.429) 4.032 3.506 ( -0.117 -4.079 -0.450) 4.106 3.617 ( -0.551 1.365 0.265) 1.496 3.629 ( 0.602 1.202 -0.866) 1.599 3.647 ( -0.166 -0.655 0.243) 0.718 3.657 ( 0.100 -0.767 -0.688) 1.035 3.771 ( -0.356 -0.290 0.729) 0.861 3.782 ( 0.414 -0.821 -0.389) 0.999 3.822 ( 0.190 -0.519 0.351) 0.655 3.827 ( -0.129 -0.769 -0.128) 0.790 5.281 ( 0.212 1.259 0.185) 1.291 5.285 ( -0.116 0.894 -0.234) 0.931 5.326 ( -0.134 -1.404 0.095) 1.414 5.327 ( 0.174 -1.444 0.016) 1.454 5.750 ( 0.178 6.048 0.108) 6.051 5.752 ( -0.152 6.080 -0.102) 6.083 5.891 ( 0.014 -5.262 0.091) 5.263 5.893 ( 0.018 -5.209 -0.090) 5.210 6.939 ( -0.131 0.176 0.100) 0.241 6.942 ( 0.143 0.185 -0.200) 0.308 6.948 ( 0.123 -0.526 0.181) 0.570 6.951 ( -0.114 -0.506 -0.099) 0.528 7.363 ( -0.029 0.002 0.044) 0.053 7.364 ( -0.032 -0.032 -0.122) 0.130 7.376 ( 0.131 -0.319 0.158) 0.379 7.380 ( -0.064 -0.438 -0.185) 0.480 7.606 ( -0.052 1.302 0.175) 1.315 7.609 ( 0.144 1.453 -0.117) 1.465 7.628 ( 0.126 -0.101 0.428) 0.458 7.635 ( 0.082 -0.226 -0.235) 0.336 8.014 ( 0.207 3.497 0.244) 3.511 8.019 ( -0.201 3.495 -0.251) 3.510 8.101 ( 0.210 -1.751 0.625) 1.871 8.110 ( 0.076 -2.105 -0.273) 2.124 8.358 ( 0.323 4.023 0.611) 4.082 8.371 ( -0.239 4.700 -0.711) 4.760 8.471 ( -0.067 -4.488 1.679) 4.792 8.504 ( 0.525 -5.419 -1.598) 5.674 ======================= Grid point 49 (31/32) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -7.520 4.319 7.739) 11.623 0.658 ( -6.625 -2.177 6.062) 9.240 0.727 ( -1.779 -0.836 3.427) 3.951 0.814 ( -3.018 -5.800 0.561) 6.563 0.840 ( -1.151 0.943 -0.034) 1.488 0.907 ( -2.520 -3.055 3.808) 5.494 1.004 ( 0.872 4.629 0.719) 4.765 1.065 ( 2.284 1.679 -0.311) 2.852 1.101 ( 0.364 -1.109 -0.902) 1.475 1.112 ( 0.175 -2.323 -1.842) 2.970 1.139 ( -0.064 -0.636 0.822) 1.041 1.186 ( 0.882 -2.190 1.150) 2.626 1.215 ( -5.051 2.208 -1.966) 5.852 1.289 ( -5.262 2.447 2.651) 6.380 1.310 ( -4.808 2.518 1.377) 5.599 1.356 ( -3.606 3.990 -0.788) 5.435 1.382 ( -1.034 0.832 -2.368) 2.714 1.433 ( 0.338 -0.706 -2.623) 2.737 1.442 ( 1.052 0.310 -1.318) 1.715 1.493 ( -1.240 -0.109 -1.667) 2.080 1.512 ( -3.128 0.579 0.134) 3.184 1.544 ( -2.198 -2.241 0.992) 3.292 1.576 ( -1.970 1.432 -1.809) 3.034 1.578 ( -1.794 -0.843 2.695) 3.345 1.629 ( -1.011 -1.234 -3.557) 3.898 1.640 ( -0.093 4.026 2.599) 4.793 1.659 ( 1.128 -0.275 0.739) 1.377 1.681 ( -0.007 0.793 -1.486) 1.684 1.694 ( -0.287 0.357 1.791) 1.848 1.723 ( -0.462 -1.442 -0.250) 1.535 1.749 ( -0.568 0.723 0.154) 0.932 1.776 ( 1.233 1.708 -0.821) 2.261 1.805 ( -0.140 -0.985 -0.402) 1.074 1.816 ( 0.038 0.179 0.122) 0.220 1.845 ( 0.364 0.760 -1.285) 1.536 1.863 ( 1.977 -0.606 -0.694) 2.181 1.888 ( 2.909 -0.983 0.882) 3.195 1.917 ( 1.092 -4.532 0.530) 4.692 1.935 ( -0.194 -1.247 -1.373) 1.865 1.967 ( 0.728 -1.322 -1.192) 1.924 2.012 ( 0.487 0.039 -0.762) 0.905 2.027 ( 0.314 1.573 3.233) 3.609 2.042 ( 0.674 -0.141 2.202) 2.307 2.100 ( 0.295 -2.958 -0.338) 2.992 2.153 ( -0.603 0.838 0.716) 1.256 2.171 ( -0.990 0.151 -0.738) 1.244 2.174 ( 1.964 0.046 -1.073) 2.239 2.221 ( 1.182 -1.972 -2.580) 3.455 2.233 ( 3.608 1.056 0.671) 3.819 2.246 ( -0.538 0.615 1.130) 1.395 2.273 ( 2.798 -0.537 -0.129) 2.852 2.284 ( -0.357 -3.963 0.736) 4.047 2.321 ( -1.159 -0.287 -2.914) 3.149 2.344 ( 2.036 1.769 -0.768) 2.804 2.360 ( 0.570 -0.760 -0.745) 1.207 2.413 ( -0.147 -1.563 -2.003) 2.545 2.427 ( 1.148 1.152 -1.084) 1.954 2.463 ( -0.331 -1.452 -0.951) 1.767 2.477 ( -1.043 0.097 0.866) 1.359 2.511 ( -0.176 -1.515 -2.017) 2.529 2.681 ( -0.560 2.492 1.214) 2.828 2.688 ( -0.221 1.222 -1.206) 1.731 2.722 ( -0.035 -1.001 -0.345) 1.059 2.742 ( 0.616 -1.509 0.015) 1.630 2.808 ( -0.218 1.247 0.535) 1.374 2.843 ( -0.571 -2.182 1.789) 2.879 2.864 ( 3.094 -0.051 2.361) 3.892 2.881 ( 1.025 -1.576 1.380) 2.332 2.934 ( -2.101 2.348 1.339) 3.423 2.978 ( -1.516 0.689 1.424) 2.191 2.987 ( -0.286 0.375 -1.311) 1.393 3.008 ( -0.191 -1.680 -1.369) 2.176 3.058 ( -0.504 1.599 1.053) 1.980 3.084 ( -0.155 -0.434 -0.839) 0.957 3.104 ( 0.985 0.370 1.265) 1.645 3.118 ( 1.638 -0.694 -0.223) 1.792 3.270 ( -1.032 2.139 -0.738) 2.487 3.279 ( -0.496 0.076 0.318) 0.594 3.300 ( 0.755 1.728 0.062) 1.887 3.321 ( 0.911 1.472 0.116) 1.735 3.371 ( -1.059 4.122 1.601) 4.547 3.408 ( 0.702 2.289 -0.279) 2.411 3.498 ( 0.085 -4.066 0.369) 4.084 3.514 ( 0.706 -4.688 0.095) 4.742 3.615 ( -0.139 1.304 0.499) 1.403 3.637 ( 0.896 0.841 -0.565) 1.353 3.646 ( 0.195 -0.496 0.261) 0.593 3.663 ( 0.879 -0.480 -0.167) 1.015 3.768 ( -0.533 -0.266 0.395) 0.715 3.780 ( -0.103 -0.890 -0.491) 1.021 3.818 ( -0.570 -0.236 -0.229) 0.658 3.826 ( 0.026 -0.680 0.162) 0.700 5.276 ( -0.401 1.297 -0.183) 1.370 5.283 ( -0.113 1.176 0.026) 1.181 5.322 ( -0.306 -1.553 0.037) 1.584 5.327 ( -0.174 -1.592 -0.084) 1.604 5.748 ( -0.069 6.240 -0.094) 6.241 5.754 ( 0.186 5.917 0.044) 5.920 5.891 ( 0.038 -5.134 -0.031) 5.134 5.893 ( 0.111 -5.341 -0.019) 5.342 6.939 ( -0.023 0.391 0.128) 0.413 6.943 ( 0.142 -0.042 -0.140) 0.204 6.948 ( -0.083 -0.415 -0.120) 0.439 6.952 ( 0.126 -0.613 0.093) 0.633 7.362 ( -0.092 0.098 0.043) 0.141 7.365 ( 0.167 0.029 0.083) 0.189 7.377 ( 0.078 -0.351 -0.172) 0.399 7.383 ( 0.403 -0.478 0.032) 0.626 7.606 ( 0.397 1.341 0.028) 1.399 7.620 ( 0.539 0.879 -0.099) 1.036 7.642 ( 1.673 0.816 -0.299) 1.885 7.659 ( 2.479 0.631 -0.433) 2.594 8.011 ( -0.265 3.661 -0.193) 3.676 8.022 ( 0.430 3.906 0.163) 3.933 8.110 ( 0.454 -2.034 -0.380) 2.119 8.123 ( 1.524 -1.950 -0.318) 2.495 8.349 ( -1.279 4.466 -0.666) 4.693 8.361 ( -0.608 4.383 0.496) 4.452 8.476 ( -0.902 -4.499 0.969) 4.690 8.485 ( -0.747 -5.603 -1.995) 5.994 ======================= Grid point 50 (32/32) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -5.677 3.033 10.706) 12.492 0.622 ( -4.231 -2.424 6.462) 8.095 0.718 ( -2.961 2.727 1.062) 4.163 0.743 ( -3.081 -1.434 7.408) 8.150 0.850 ( -0.858 -1.755 1.722) 2.605 0.919 ( -1.393 -2.917 7.477) 8.146 0.967 ( -2.595 7.045 -2.251) 7.838 1.027 ( -3.497 -0.842 -0.916) 3.712 1.077 ( -3.400 2.239 -5.248) 6.642 1.126 ( -2.353 6.451 5.465) 8.776 1.164 ( 1.540 0.167 0.717) 1.707 1.171 ( -0.293 1.080 2.281) 2.540 1.180 ( -4.938 4.258 2.884) 7.129 1.240 ( 0.330 0.169 0.189) 0.416 1.260 ( 2.694 -0.260 3.822) 4.683 1.315 ( -0.762 0.769 0.715) 1.297 1.354 ( 0.196 -2.590 -0.090) 2.599 1.404 ( 0.425 1.608 -2.859) 3.307 1.434 ( -1.372 -0.601 -1.521) 2.135 1.479 ( 0.056 0.344 0.017) 0.349 1.490 ( -0.255 -1.382 1.246) 1.878 1.500 ( -1.572 0.689 -0.594) 1.816 1.554 ( 0.900 -1.897 -2.472) 3.243 1.564 ( -0.819 -1.337 -0.860) 1.788 1.593 ( 0.840 -1.053 -2.918) 3.214 1.624 ( -1.652 2.207 -1.042) 2.948 1.646 ( -1.799 -1.484 -0.113) 2.335 1.681 ( -0.985 -4.894 1.150) 5.123 1.703 ( 0.213 0.685 -0.151) 0.733 1.723 ( -1.754 2.323 2.913) 4.118 1.736 ( -0.437 -5.091 0.899) 5.188 1.769 ( 0.886 -0.055 0.118) 0.895 1.814 ( 0.775 0.372 0.666) 1.088 1.838 ( 0.292 1.996 -0.106) 2.021 1.843 ( 2.427 4.762 -1.559) 5.568 1.880 ( -0.794 0.022 -1.338) 1.556 1.911 ( 0.966 -0.501 -3.158) 3.340 1.927 ( 1.473 -0.114 -1.986) 2.475 1.953 ( -0.644 1.286 -2.273) 2.690 1.981 ( 2.015 -2.463 -0.737) 3.266 1.993 ( 0.233 -1.909 -0.498) 1.987 2.047 ( 0.489 -2.063 0.376) 2.154 2.076 ( -0.789 -2.531 -0.057) 2.651 2.087 ( 0.346 0.231 1.919) 1.963 2.131 ( -2.639 -1.884 -3.468) 4.747 2.141 ( -0.730 -0.987 -1.453) 1.902 2.160 ( -1.453 -2.262 -1.637) 3.148 2.183 ( -0.918 -2.025 -0.613) 2.306 2.230 ( -3.621 0.272 -4.248) 5.589 2.250 ( -1.196 -1.807 -3.631) 4.228 2.266 ( -0.847 -0.206 0.874) 1.234 2.288 ( -0.014 -0.058 0.908) 0.910 2.327 ( 1.144 3.379 -0.911) 3.682 2.343 ( -0.375 -0.639 -2.470) 2.579 2.365 ( 2.481 -1.196 -0.108) 2.756 2.408 ( 1.182 -2.209 -0.925) 2.671 2.463 ( 2.171 2.273 1.628) 3.540 2.496 ( 4.049 1.809 1.568) 4.703 2.500 ( 2.599 -0.659 1.738) 3.195 2.521 ( 1.818 0.849 2.682) 3.349 2.677 ( -0.036 1.969 -0.742) 2.104 2.684 ( -0.007 1.626 -0.630) 1.744 2.711 ( -0.407 -1.001 -1.123) 1.558 2.730 ( -0.932 -1.216 -2.043) 2.553 2.819 ( -0.636 2.126 2.675) 3.476 2.859 ( 0.098 -1.064 1.959) 2.231 2.890 ( -1.628 1.247 1.540) 2.565 2.913 ( 0.117 1.855 -1.241) 2.235 2.936 ( 0.596 -2.265 1.355) 2.705 2.973 ( -0.186 0.082 0.110) 0.231 2.983 ( -0.807 -2.663 0.335) 2.803 2.990 ( 0.957 -1.398 0.607) 1.799 3.057 ( -0.453 1.213 0.899) 1.577 3.071 ( 0.092 0.199 -0.201) 0.298 3.147 ( 0.986 -0.550 2.468) 2.714 3.151 ( 1.198 -0.192 0.526) 1.323 3.252 ( -0.260 2.443 -0.030) 2.457 3.282 ( 0.405 -0.237 0.449) 0.650 3.315 ( 0.676 -1.163 -0.100) 1.348 3.320 ( -0.247 0.599 -0.700) 0.954 3.372 ( -0.641 3.899 1.682) 4.294 3.411 ( -0.152 2.474 -0.412) 2.513 3.510 ( 0.261 -4.741 0.891) 4.831 3.526 ( 0.359 -5.073 0.131) 5.088 3.622 ( 0.158 1.265 0.934) 1.580 3.646 ( 0.527 -0.156 0.167) 0.574 3.663 ( 1.132 0.740 -0.467) 1.431 3.678 ( 0.685 -0.188 -0.282) 0.764 3.762 ( -0.354 -0.489 0.316) 0.681 3.773 ( -0.067 -0.998 -0.249) 1.030 3.807 ( -0.313 0.204 -0.057) 0.378 3.827 ( -0.004 -1.264 -0.143) 1.272 5.272 ( 0.014 1.632 0.067) 1.634 5.279 ( -0.127 1.382 -0.176) 1.398 5.318 ( -0.152 -1.792 0.048) 1.799 5.322 ( -0.207 -1.774 -0.086) 1.788 5.748 ( 0.068 6.323 0.012) 6.324 5.756 ( -0.015 5.913 -0.087) 5.914 5.893 ( 0.116 -5.181 -0.030) 5.182 5.895 ( 0.069 -5.355 0.005) 5.355 6.940 ( 0.018 0.428 0.119) 0.445 6.944 ( 0.071 -0.125 -0.017) 0.145 6.946 ( -0.024 -0.227 -0.096) 0.248 6.954 ( -0.035 -0.597 -0.012) 0.598 7.361 ( -0.074 0.496 0.110) 0.513 7.372 ( 0.431 0.518 -0.074) 0.678 7.377 ( -0.006 -0.742 0.052) 0.744 7.391 ( 0.310 -0.732 -0.030) 0.796 7.621 ( 0.859 1.202 0.398) 1.530 7.630 ( 0.490 0.586 0.257) 0.806 7.669 ( 1.588 2.340 -1.201) 3.073 7.703 ( 2.976 1.152 -2.461) 4.030 8.007 ( -0.052 4.118 0.012) 4.118 8.036 ( 1.221 5.810 -0.704) 5.978 8.109 ( -0.018 -2.928 -0.485) 2.968 8.147 ( 1.498 -2.086 -1.225) 2.845 8.320 ( -1.113 3.948 -0.139) 4.105 8.348 ( -0.908 4.681 -0.077) 4.769 8.430 ( -2.251 -4.555 -1.411) 5.273 8.462 ( -1.617 -4.283 0.329) 4.590 =================== 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 3/10800 10.0 16.545 9.370 23.569 0.000 -2.424 0.000 3/10800 20.0 3.891 3.043 5.866 0.000 -0.434 0.000 3/10800 30.0 1.952 1.669 2.974 0.000 -0.192 0.000 3/10800 40.0 1.295 1.155 1.975 0.000 -0.118 0.000 3/10800 50.0 0.974 0.896 1.485 0.000 -0.085 0.000 3/10800 60.0 0.785 0.741 1.195 0.000 -0.067 0.000 3/10800 70.0 0.659 0.638 1.003 0.000 -0.055 0.000 3/10800 80.0 0.569 0.563 0.865 0.000 -0.047 0.000 3/10800 90.0 0.502 0.507 0.762 0.000 -0.041 0.000 3/10800 100.0 0.450 0.462 0.681 0.000 -0.037 0.000 3/10800 110.0 0.407 0.425 0.616 0.000 -0.033 0.000 3/10800 120.0 0.373 0.395 0.563 0.000 -0.030 0.000 3/10800 130.0 0.343 0.369 0.518 0.000 -0.027 0.000 3/10800 140.0 0.319 0.346 0.480 0.000 -0.025 0.000 3/10800 150.0 0.297 0.326 0.448 0.000 -0.023 0.000 3/10800 160.0 0.279 0.308 0.419 0.000 -0.022 0.000 3/10800 170.0 0.262 0.293 0.394 0.000 -0.021 0.000 3/10800 180.0 0.248 0.278 0.372 0.000 -0.019 0.000 3/10800 190.0 0.235 0.266 0.352 0.000 -0.018 0.000 3/10800 200.0 0.223 0.254 0.334 0.000 -0.017 0.000 3/10800 210.0 0.212 0.243 0.318 0.000 -0.016 0.000 3/10800 220.0 0.203 0.233 0.304 0.000 -0.016 0.000 3/10800 230.0 0.194 0.224 0.291 0.000 -0.015 0.000 3/10800 240.0 0.186 0.216 0.278 0.000 -0.014 0.000 3/10800 250.0 0.179 0.208 0.267 0.000 -0.014 0.000 3/10800 260.0 0.172 0.201 0.257 0.000 -0.013 0.000 3/10800 270.0 0.165 0.194 0.247 0.000 -0.013 0.000 3/10800 280.0 0.160 0.188 0.238 0.000 -0.012 0.000 3/10800 290.0 0.154 0.182 0.230 0.000 -0.012 0.000 3/10800 300.0 0.149 0.176 0.222 0.000 -0.011 0.000 3/10800 310.0 0.144 0.171 0.215 0.000 -0.011 0.000 3/10800 320.0 0.140 0.166 0.209 0.000 -0.011 0.000 3/10800 330.0 0.136 0.162 0.202 0.000 -0.010 0.000 3/10800 340.0 0.132 0.157 0.196 0.000 -0.010 0.000 3/10800 350.0 0.128 0.153 0.191 0.000 -0.010 0.000 3/10800 360.0 0.124 0.149 0.185 0.000 -0.009 0.000 3/10800 370.0 0.121 0.145 0.180 0.000 -0.009 0.000 3/10800 380.0 0.118 0.142 0.176 0.000 -0.009 0.000 3/10800 390.0 0.115 0.139 0.171 0.000 -0.009 0.000 3/10800 400.0 0.112 0.135 0.167 0.000 -0.008 0.000 3/10800 410.0 0.109 0.132 0.163 0.000 -0.008 0.000 3/10800 420.0 0.107 0.129 0.159 0.000 -0.008 0.000 3/10800 430.0 0.104 0.126 0.155 0.000 -0.008 0.000 3/10800 440.0 0.102 0.124 0.152 0.000 -0.008 0.000 3/10800 450.0 0.100 0.121 0.148 0.000 -0.007 0.000 3/10800 460.0 0.097 0.119 0.145 0.000 -0.007 0.000 3/10800 470.0 0.095 0.116 0.142 0.000 -0.007 0.000 3/10800 480.0 0.093 0.114 0.139 0.000 -0.007 0.000 3/10800 490.0 0.092 0.112 0.136 0.000 -0.007 0.000 3/10800 500.0 0.090 0.110 0.133 0.000 -0.007 0.000 3/10800 510.0 0.088 0.108 0.131 0.000 -0.007 0.000 3/10800 520.0 0.086 0.106 0.128 0.000 -0.006 0.000 3/10800 530.0 0.085 0.104 0.126 0.000 -0.006 0.000 3/10800 540.0 0.083 0.102 0.124 0.000 -0.006 0.000 3/10800 550.0 0.082 0.100 0.121 0.000 -0.006 0.000 3/10800 560.0 0.080 0.098 0.119 0.000 -0.006 0.000 3/10800 570.0 0.079 0.097 0.117 0.000 -0.006 0.000 3/10800 580.0 0.077 0.095 0.115 0.000 -0.006 0.000 3/10800 590.0 0.076 0.094 0.113 0.000 -0.006 0.000 3/10800 600.0 0.075 0.092 0.111 0.000 -0.006 0.000 3/10800 610.0 0.074 0.091 0.109 0.000 -0.005 0.000 3/10800 620.0 0.072 0.089 0.108 0.000 -0.005 0.000 3/10800 630.0 0.071 0.088 0.106 0.000 -0.005 0.000 3/10800 640.0 0.070 0.087 0.104 0.000 -0.005 0.000 3/10800 650.0 0.069 0.085 0.103 0.000 -0.005 0.000 3/10800 660.0 0.068 0.084 0.101 0.000 -0.005 0.000 3/10800 670.0 0.067 0.083 0.100 0.000 -0.005 0.000 3/10800 680.0 0.066 0.082 0.098 0.000 -0.005 0.000 3/10800 690.0 0.065 0.081 0.097 0.000 -0.005 0.000 3/10800 700.0 0.064 0.080 0.095 0.000 -0.005 0.000 3/10800 710.0 0.063 0.078 0.094 0.000 -0.005 0.000 3/10800 720.0 0.062 0.077 0.093 0.000 -0.005 0.000 3/10800 730.0 0.062 0.076 0.091 0.000 -0.005 0.000 3/10800 740.0 0.061 0.075 0.090 0.000 -0.005 0.000 3/10800 750.0 0.060 0.074 0.089 0.000 -0.004 0.000 3/10800 760.0 0.059 0.074 0.088 0.000 -0.004 0.000 3/10800 770.0 0.058 0.073 0.087 0.000 -0.004 0.000 3/10800 780.0 0.058 0.072 0.086 0.000 -0.004 0.000 3/10800 790.0 0.057 0.071 0.084 0.000 -0.004 0.000 3/10800 800.0 0.056 0.070 0.083 0.000 -0.004 0.000 3/10800 810.0 0.055 0.069 0.082 0.000 -0.004 0.000 3/10800 820.0 0.055 0.068 0.081 0.000 -0.004 0.000 3/10800 830.0 0.054 0.068 0.080 0.000 -0.004 0.000 3/10800 840.0 0.054 0.067 0.079 0.000 -0.004 0.000 3/10800 850.0 0.053 0.066 0.079 0.000 -0.004 0.000 3/10800 860.0 0.052 0.065 0.078 0.000 -0.004 0.000 3/10800 870.0 0.052 0.065 0.077 0.000 -0.004 0.000 3/10800 880.0 0.051 0.064 0.076 0.000 -0.004 0.000 3/10800 890.0 0.051 0.063 0.075 0.000 -0.004 0.000 3/10800 900.0 0.050 0.062 0.074 0.000 -0.004 0.000 3/10800 910.0 0.049 0.062 0.073 0.000 -0.004 0.000 3/10800 920.0 0.049 0.061 0.073 0.000 -0.004 0.000 3/10800 930.0 0.048 0.060 0.072 0.000 -0.004 0.000 3/10800 940.0 0.048 0.060 0.071 0.000 -0.004 0.000 3/10800 950.0 0.047 0.059 0.070 0.000 -0.004 0.000 3/10800 960.0 0.047 0.059 0.070 0.000 -0.003 0.000 3/10800 970.0 0.046 0.058 0.069 0.000 -0.003 0.000 3/10800 980.0 0.046 0.057 0.068 0.000 -0.003 0.000 3/10800 990.0 0.045 0.057 0.067 0.000 -0.003 0.000 3/10800 1000.0 0.045 0.056 0.067 0.000 -0.003 0.000 3/10800 Thermal conductivity related properties were written into "kappa-m635.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:26:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|