----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:14:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.158171300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.593140989999999 Atomic positions (fractional): *1 F 0.83434539662563 0.75000000000000 0.87497556543421 18.998 2 F 0.16565460337437 0.25000000000000 0.12502443456579 18.998 3 F 0.33434539662563 0.75000000000000 0.62502443456579 18.998 4 F 0.66565460337437 0.25000000000000 0.37497556543421 18.998 *5 F 0.81061532129983 0.25000000000000 0.84328152751838 18.998 6 F 0.18938467870017 0.75000000000000 0.15671847248162 18.998 7 F 0.31061532129983 0.25000000000000 0.65671847248162 18.998 8 F 0.68938467870017 0.75000000000000 0.34328152751838 18.998 *9 F 0.57351869515820 0.96461114778291 0.64660997031016 18.998 10 F 0.42648130484180 0.46461114778291 0.35339002968984 18.998 11 F 0.07351869515820 0.96461114778291 0.85339002968984 18.998 12 F 0.92648130484180 0.46461114778291 0.14660997031016 18.998 *13 F 0.98655609867371 0.75000000000000 0.38972788704002 18.998 14 F 0.01344390132629 0.25000000000000 0.61027211295998 18.998 15 F 0.48655609867371 0.75000000000000 0.11027211295998 18.998 16 F 0.51344390132629 0.25000000000000 0.88972788704002 18.998 17 F 0.92648130484180 0.03538885221709 0.14660997031016 18.998 18 F 0.07351869515820 0.53538885221709 0.85339002968984 18.998 19 F 0.42648130484180 0.03538885221709 0.35339002968984 18.998 20 F 0.57351869515820 0.53538885221709 0.64660997031016 18.998 *21 K 0.82888521626880 0.99712753345067 0.53715298157338 39.098 22 K 0.17111478373120 0.49712753345067 0.46284701842662 39.098 23 K 0.32888521626880 0.99712753345067 0.96284701842662 39.098 24 K 0.67111478373120 0.49712753345067 0.03715298157338 39.098 25 K 0.82888521626880 0.50287246654933 0.53715298157338 39.098 26 K 0.17111478373120 0.00287246654933 0.46284701842662 39.098 27 K 0.32888521626880 0.50287246654933 0.96284701842662 39.098 28 K 0.67111478373120 0.00287246654933 0.03715298157338 39.098 *29 Er 0.50266306357367 0.25000000000000 0.56366045507603 167.259 30 Er 0.49733693642633 0.75000000000000 0.43633954492397 167.259 31 Er 0.00266306357367 0.25000000000000 0.93633954492397 167.259 32 Er 0.99733693642633 0.75000000000000 0.06366045507603 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.158171300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.593140989999999 Atomic positions (fractional): *1 F 0.83434539662563 0.75000000000000 0.87497556543421 18.998 > 1 2 F 0.16565460337437 0.25000000000000 0.12502443456579 18.998 > 2 3 F 0.33434539662563 0.75000000000000 0.62502443456579 18.998 > 3 4 F 0.66565460337437 0.25000000000000 0.37497556543421 18.998 > 4 *5 F 0.81061532129983 0.25000000000000 0.84328152751838 18.998 > 5 6 F 0.18938467870017 0.75000000000000 0.15671847248162 18.998 > 6 7 F 0.31061532129983 0.25000000000000 0.65671847248162 18.998 > 7 8 F 0.68938467870017 0.75000000000000 0.34328152751838 18.998 > 8 *9 F 0.57351869515820 0.96461114778291 0.64660997031016 18.998 > 9 10 F 0.42648130484180 0.46461114778291 0.35339002968984 18.998 > 10 11 F 0.07351869515820 0.96461114778291 0.85339002968984 18.998 > 11 12 F 0.92648130484180 0.46461114778291 0.14660997031016 18.998 > 12 *13 F 0.98655609867371 0.75000000000000 0.38972788704002 18.998 > 13 14 F 0.01344390132629 0.25000000000000 0.61027211295998 18.998 > 14 15 F 0.48655609867371 0.75000000000000 0.11027211295998 18.998 > 15 16 F 0.51344390132629 0.25000000000000 0.88972788704002 18.998 > 16 17 F 0.92648130484180 0.03538885221709 0.14660997031016 18.998 > 17 18 F 0.07351869515820 0.53538885221709 0.85339002968984 18.998 > 18 19 F 0.42648130484180 0.03538885221709 0.35339002968984 18.998 > 19 20 F 0.57351869515820 0.53538885221709 0.64660997031016 18.998 > 20 *21 K 0.82888521626880 0.99712753345067 0.53715298157338 39.098 > 21 22 K 0.17111478373120 0.49712753345067 0.46284701842662 39.098 > 22 23 K 0.32888521626880 0.99712753345067 0.96284701842662 39.098 > 23 24 K 0.67111478373120 0.49712753345067 0.03715298157338 39.098 > 24 25 K 0.82888521626880 0.50287246654933 0.53715298157338 39.098 > 25 26 K 0.17111478373120 0.00287246654933 0.46284701842662 39.098 > 26 27 K 0.32888521626880 0.50287246654933 0.96284701842662 39.098 > 27 28 K 0.67111478373120 0.00287246654933 0.03715298157338 39.098 > 28 *29 Er 0.50266306357367 0.25000000000000 0.56366045507603 167.259 > 29 30 Er 0.49733693642633 0.75000000000000 0.43633954492397 167.259 > 30 31 Er 0.00266306357367 0.25000000000000 0.93633954492397 167.259 > 31 32 Er 0.99733693642633 0.75000000000000 0.06366045507603 167.259 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.316342600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.186281979999999 Atomic positions (fractional): *1 F 0.83434539662563 0.37500000000000 0.43748778271711 18.998 > 1 2 F 0.83434539662563 0.87500000000000 0.43748778271711 18.998 > 1 3 F 0.83434539662563 0.37500000000000 0.93748778271711 18.998 > 1 4 F 0.83434539662563 0.87500000000000 0.93748778271711 18.998 > 1 5 F 0.16565460337437 0.12500000000000 0.06251221728289 18.998 > 2 6 F 0.16565460337437 0.62500000000000 0.06251221728289 18.998 > 2 7 F 0.16565460337437 0.12500000000000 0.56251221728289 18.998 > 2 8 F 0.16565460337437 0.62500000000000 0.56251221728289 18.998 > 2 9 F 0.33434539662563 0.37500000000000 0.31251221728289 18.998 > 3 10 F 0.33434539662563 0.87500000000000 0.31251221728289 18.998 > 3 11 F 0.33434539662563 0.37500000000000 0.81251221728289 18.998 > 3 12 F 0.33434539662563 0.87500000000000 0.81251221728289 18.998 > 3 13 F 0.66565460337437 0.12500000000000 0.18748778271711 18.998 > 4 14 F 0.66565460337437 0.62500000000000 0.18748778271711 18.998 > 4 15 F 0.66565460337437 0.12500000000000 0.68748778271711 18.998 > 4 16 F 0.66565460337437 0.62500000000000 0.68748778271711 18.998 > 4 *17 F 0.81061532129983 0.12500000000000 0.42164076375919 18.998 > 5 18 F 0.81061532129983 0.62500000000000 0.42164076375919 18.998 > 5 19 F 0.81061532129983 0.12500000000000 0.92164076375919 18.998 > 5 20 F 0.81061532129983 0.62500000000000 0.92164076375919 18.998 > 5 21 F 0.18938467870017 0.37500000000000 0.07835923624081 18.998 > 6 22 F 0.18938467870017 0.87500000000000 0.07835923624081 18.998 > 6 23 F 0.18938467870017 0.37500000000000 0.57835923624081 18.998 > 6 24 F 0.18938467870017 0.87500000000000 0.57835923624081 18.998 > 6 25 F 0.31061532129983 0.12500000000000 0.32835923624081 18.998 > 7 26 F 0.31061532129983 0.62500000000000 0.32835923624081 18.998 > 7 27 F 0.31061532129983 0.12500000000000 0.82835923624081 18.998 > 7 28 F 0.31061532129983 0.62500000000000 0.82835923624081 18.998 > 7 29 F 0.68938467870017 0.37500000000000 0.17164076375919 18.998 > 8 30 F 0.68938467870017 0.87500000000000 0.17164076375919 18.998 > 8 31 F 0.68938467870017 0.37500000000000 0.67164076375919 18.998 > 8 32 F 0.68938467870017 0.87500000000000 0.67164076375919 18.998 > 8 *33 F 0.57351869515820 0.48230557389145 0.32330498515508 18.998 > 9 34 F 0.57351869515820 0.98230557389145 0.32330498515508 18.998 > 9 35 F 0.57351869515820 0.48230557389145 0.82330498515508 18.998 > 9 36 F 0.57351869515820 0.98230557389145 0.82330498515508 18.998 > 9 37 F 0.42648130484180 0.23230557389145 0.17669501484492 18.998 > 10 38 F 0.42648130484180 0.73230557389145 0.17669501484492 18.998 > 10 39 F 0.42648130484180 0.23230557389145 0.67669501484492 18.998 > 10 40 F 0.42648130484180 0.73230557389145 0.67669501484492 18.998 > 10 41 F 0.07351869515820 0.48230557389145 0.42669501484492 18.998 > 11 42 F 0.07351869515820 0.98230557389145 0.42669501484492 18.998 > 11 43 F 0.07351869515820 0.48230557389145 0.92669501484492 18.998 > 11 44 F 0.07351869515820 0.98230557389145 0.92669501484492 18.998 > 11 45 F 0.92648130484180 0.23230557389145 0.07330498515508 18.998 > 12 46 F 0.92648130484180 0.73230557389145 0.07330498515508 18.998 > 12 47 F 0.92648130484180 0.23230557389145 0.57330498515508 18.998 > 12 48 F 0.92648130484180 0.73230557389145 0.57330498515508 18.998 > 12 *49 F 0.98655609867371 0.37500000000000 0.19486394352001 18.998 > 13 50 F 0.98655609867371 0.87500000000000 0.19486394352001 18.998 > 13 51 F 0.98655609867371 0.37500000000000 0.69486394352001 18.998 > 13 52 F 0.98655609867371 0.87500000000000 0.69486394352001 18.998 > 13 53 F 0.01344390132629 0.12500000000000 0.30513605647999 18.998 > 14 54 F 0.01344390132629 0.62500000000000 0.30513605647999 18.998 > 14 55 F 0.01344390132629 0.12500000000000 0.80513605647999 18.998 > 14 56 F 0.01344390132629 0.62500000000000 0.80513605647999 18.998 > 14 57 F 0.48655609867371 0.37500000000000 0.05513605647999 18.998 > 15 58 F 0.48655609867371 0.87500000000000 0.05513605647999 18.998 > 15 59 F 0.48655609867371 0.37500000000000 0.55513605647999 18.998 > 15 60 F 0.48655609867371 0.87500000000000 0.55513605647999 18.998 > 15 61 F 0.51344390132629 0.12500000000000 0.44486394352001 18.998 > 16 62 F 0.51344390132629 0.62500000000000 0.44486394352001 18.998 > 16 63 F 0.51344390132629 0.12500000000000 0.94486394352001 18.998 > 16 64 F 0.51344390132629 0.62500000000000 0.94486394352001 18.998 > 16 65 F 0.92648130484180 0.01769442610855 0.07330498515508 18.998 > 17 66 F 0.92648130484180 0.51769442610855 0.07330498515508 18.998 > 17 67 F 0.92648130484180 0.01769442610855 0.57330498515508 18.998 > 17 68 F 0.92648130484180 0.51769442610855 0.57330498515508 18.998 > 17 69 F 0.07351869515820 0.26769442610855 0.42669501484492 18.998 > 18 70 F 0.07351869515820 0.76769442610855 0.42669501484492 18.998 > 18 71 F 0.07351869515820 0.26769442610855 0.92669501484492 18.998 > 18 72 F 0.07351869515820 0.76769442610855 0.92669501484492 18.998 > 18 73 F 0.42648130484180 0.01769442610855 0.17669501484492 18.998 > 19 74 F 0.42648130484180 0.51769442610855 0.17669501484492 18.998 > 19 75 F 0.42648130484180 0.01769442610855 0.67669501484492 18.998 > 19 76 F 0.42648130484180 0.51769442610855 0.67669501484492 18.998 > 19 77 F 0.57351869515820 0.26769442610855 0.32330498515508 18.998 > 20 78 F 0.57351869515820 0.76769442610855 0.32330498515508 18.998 > 20 79 F 0.57351869515820 0.26769442610855 0.82330498515508 18.998 > 20 80 F 0.57351869515820 0.76769442610855 0.82330498515508 18.998 > 20 *81 K 0.82888521626880 0.49856376672533 0.26857649078669 39.098 > 21 82 K 0.82888521626880 0.99856376672533 0.26857649078669 39.098 > 21 83 K 0.82888521626880 0.49856376672533 0.76857649078669 39.098 > 21 84 K 0.82888521626880 0.99856376672533 0.76857649078669 39.098 > 21 85 K 0.17111478373120 0.24856376672533 0.23142350921331 39.098 > 22 86 K 0.17111478373120 0.74856376672533 0.23142350921331 39.098 > 22 87 K 0.17111478373120 0.24856376672533 0.73142350921331 39.098 > 22 88 K 0.17111478373120 0.74856376672533 0.73142350921331 39.098 > 22 89 K 0.32888521626880 0.49856376672533 0.48142350921331 39.098 > 23 90 K 0.32888521626880 0.99856376672533 0.48142350921331 39.098 > 23 91 K 0.32888521626880 0.49856376672533 0.98142350921331 39.098 > 23 92 K 0.32888521626880 0.99856376672533 0.98142350921331 39.098 > 23 93 K 0.67111478373120 0.24856376672533 0.01857649078669 39.098 > 24 94 K 0.67111478373120 0.74856376672533 0.01857649078669 39.098 > 24 95 K 0.67111478373120 0.24856376672533 0.51857649078669 39.098 > 24 96 K 0.67111478373120 0.74856376672533 0.51857649078669 39.098 > 24 97 K 0.82888521626880 0.25143623327467 0.26857649078669 39.098 > 25 98 K 0.82888521626880 0.75143623327467 0.26857649078669 39.098 > 25 99 K 0.82888521626880 0.25143623327467 0.76857649078669 39.098 > 25 100 K 0.82888521626880 0.75143623327467 0.76857649078669 39.098 > 25 101 K 0.17111478373120 0.00143623327467 0.23142350921331 39.098 > 26 102 K 0.17111478373120 0.50143623327467 0.23142350921331 39.098 > 26 103 K 0.17111478373120 0.00143623327467 0.73142350921331 39.098 > 26 104 K 0.17111478373120 0.50143623327467 0.73142350921331 39.098 > 26 105 K 0.32888521626880 0.25143623327467 0.48142350921331 39.098 > 27 106 K 0.32888521626880 0.75143623327467 0.48142350921331 39.098 > 27 107 K 0.32888521626880 0.25143623327467 0.98142350921331 39.098 > 27 108 K 0.32888521626880 0.75143623327467 0.98142350921331 39.098 > 27 109 K 0.67111478373120 0.00143623327467 0.01857649078669 39.098 > 28 110 K 0.67111478373120 0.50143623327467 0.01857649078669 39.098 > 28 111 K 0.67111478373120 0.00143623327467 0.51857649078669 39.098 > 28 112 K 0.67111478373120 0.50143623327467 0.51857649078669 39.098 > 28 *113 Er 0.50266306357367 0.12500000000000 0.28183022753801 167.259 > 29 114 Er 0.50266306357367 0.62500000000000 0.28183022753801 167.259 > 29 115 Er 0.50266306357367 0.12500000000000 0.78183022753801 167.259 > 29 116 Er 0.50266306357367 0.62500000000000 0.78183022753801 167.259 > 29 117 Er 0.49733693642633 0.37500000000000 0.21816977246199 167.259 > 30 118 Er 0.49733693642633 0.87500000000000 0.21816977246199 167.259 > 30 119 Er 0.49733693642633 0.37500000000000 0.71816977246199 167.259 > 30 120 Er 0.49733693642633 0.87500000000000 0.71816977246199 167.259 > 30 121 Er 0.00266306357367 0.12500000000000 0.46816977246199 167.259 > 31 122 Er 0.00266306357367 0.62500000000000 0.46816977246199 167.259 > 31 123 Er 0.00266306357367 0.12500000000000 0.96816977246199 167.259 > 31 124 Er 0.00266306357367 0.62500000000000 0.96816977246199 167.259 > 31 125 Er 0.99733693642633 0.37500000000000 0.03183022753801 167.259 > 32 126 Er 0.99733693642633 0.87500000000000 0.03183022753801 167.259 > 32 127 Er 0.99733693642633 0.37500000000000 0.53183022753801 167.259 > 32 128 Er 0.99733693642633 0.87500000000000 0.53183022753801 167.259 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1706872 0.0000000 0.0000000 0.0000000 2.2099223 0.0000000 0.0000000 0.0000000 2.1618614 -------------------------- Born effective charges -------------------------- 1 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 2 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 3 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 4 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 5 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 6 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 7 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 8 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 9 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 10 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 11 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 12 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 13 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 14 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 15 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 16 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 17 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 18 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 19 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 20 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 21 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 22 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 23 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 24 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 25 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 26 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 27 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 28 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 29 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 30 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 31 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 32 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.942 Solver_block: 200 / 480 - Time: 0.780 Solver_block: 300 / 480 - Time: 0.732 Solver_block: 400 / 480 - Time: 0.813 Solver_block: 480 / 480 - Time: 0.626 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.074 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:15:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.158171300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.593140989999999 Atomic positions (fractional): 1 F 0.83434539662563 0.75000000000000 0.87497556543421 18.998 2 F 0.16565460337437 0.25000000000000 0.12502443456579 18.998 3 F 0.33434539662563 0.75000000000000 0.62502443456579 18.998 4 F 0.66565460337437 0.25000000000000 0.37497556543421 18.998 5 F 0.81061532129983 0.25000000000000 0.84328152751838 18.998 6 F 0.18938467870017 0.75000000000000 0.15671847248162 18.998 7 F 0.31061532129983 0.25000000000000 0.65671847248162 18.998 8 F 0.68938467870017 0.75000000000000 0.34328152751838 18.998 9 F 0.57351869515820 0.96461114778291 0.64660997031016 18.998 10 F 0.42648130484180 0.46461114778291 0.35339002968984 18.998 11 F 0.07351869515820 0.96461114778291 0.85339002968984 18.998 12 F 0.92648130484180 0.46461114778291 0.14660997031016 18.998 13 F 0.98655609867371 0.75000000000000 0.38972788704002 18.998 14 F 0.01344390132629 0.25000000000000 0.61027211295998 18.998 15 F 0.48655609867371 0.75000000000000 0.11027211295998 18.998 16 F 0.51344390132629 0.25000000000000 0.88972788704002 18.998 17 F 0.92648130484180 0.03538885221709 0.14660997031016 18.998 18 F 0.07351869515820 0.53538885221709 0.85339002968984 18.998 19 F 0.42648130484180 0.03538885221709 0.35339002968984 18.998 20 F 0.57351869515820 0.53538885221709 0.64660997031016 18.998 21 K 0.82888521626880 0.99712753345067 0.53715298157338 39.098 22 K 0.17111478373120 0.49712753345067 0.46284701842662 39.098 23 K 0.32888521626880 0.99712753345067 0.96284701842662 39.098 24 K 0.67111478373120 0.49712753345067 0.03715298157338 39.098 25 K 0.82888521626880 0.50287246654933 0.53715298157338 39.098 26 K 0.17111478373120 0.00287246654933 0.46284701842662 39.098 27 K 0.32888521626880 0.50287246654933 0.96284701842662 39.098 28 K 0.67111478373120 0.00287246654933 0.03715298157338 39.098 29 Er 0.50266306357367 0.25000000000000 0.56366045507603 167.259 30 Er 0.49733693642633 0.75000000000000 0.43633954492397 167.259 31 Er 0.00266306357367 0.25000000000000 0.93633954492397 167.259 32 Er 0.99733693642633 0.75000000000000 0.06366045507603 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.316342600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.186281979999999 Atomic positions (fractional): 1 F 0.83434539662563 0.37500000000000 0.43748778271711 18.998 > 1 2 F 0.83434539662563 0.87500000000000 0.43748778271711 18.998 > 1 3 F 0.83434539662563 0.37500000000000 0.93748778271711 18.998 > 1 4 F 0.83434539662563 0.87500000000000 0.93748778271711 18.998 > 1 5 F 0.16565460337437 0.12500000000000 0.06251221728289 18.998 > 5 6 F 0.16565460337437 0.62500000000000 0.06251221728289 18.998 > 5 7 F 0.16565460337437 0.12500000000000 0.56251221728289 18.998 > 5 8 F 0.16565460337437 0.62500000000000 0.56251221728289 18.998 > 5 9 F 0.33434539662563 0.37500000000000 0.31251221728289 18.998 > 9 10 F 0.33434539662563 0.87500000000000 0.31251221728289 18.998 > 9 11 F 0.33434539662563 0.37500000000000 0.81251221728289 18.998 > 9 12 F 0.33434539662563 0.87500000000000 0.81251221728289 18.998 > 9 13 F 0.66565460337437 0.12500000000000 0.18748778271711 18.998 > 13 14 F 0.66565460337437 0.62500000000000 0.18748778271711 18.998 > 13 15 F 0.66565460337437 0.12500000000000 0.68748778271711 18.998 > 13 16 F 0.66565460337437 0.62500000000000 0.68748778271711 18.998 > 13 17 F 0.81061532129983 0.12500000000000 0.42164076375919 18.998 > 17 18 F 0.81061532129983 0.62500000000000 0.42164076375919 18.998 > 17 19 F 0.81061532129983 0.12500000000000 0.92164076375919 18.998 > 17 20 F 0.81061532129983 0.62500000000000 0.92164076375919 18.998 > 17 21 F 0.18938467870017 0.37500000000000 0.07835923624081 18.998 > 21 22 F 0.18938467870017 0.87500000000000 0.07835923624081 18.998 > 21 23 F 0.18938467870017 0.37500000000000 0.57835923624081 18.998 > 21 24 F 0.18938467870017 0.87500000000000 0.57835923624081 18.998 > 21 25 F 0.31061532129983 0.12500000000000 0.32835923624081 18.998 > 25 26 F 0.31061532129983 0.62500000000000 0.32835923624081 18.998 > 25 27 F 0.31061532129983 0.12500000000000 0.82835923624081 18.998 > 25 28 F 0.31061532129983 0.62500000000000 0.82835923624081 18.998 > 25 29 F 0.68938467870017 0.37500000000000 0.17164076375919 18.998 > 29 30 F 0.68938467870017 0.87500000000000 0.17164076375919 18.998 > 29 31 F 0.68938467870017 0.37500000000000 0.67164076375919 18.998 > 29 32 F 0.68938467870017 0.87500000000000 0.67164076375919 18.998 > 29 33 F 0.57351869515820 0.48230557389145 0.32330498515508 18.998 > 33 34 F 0.57351869515820 0.98230557389145 0.32330498515508 18.998 > 33 35 F 0.57351869515820 0.48230557389145 0.82330498515508 18.998 > 33 36 F 0.57351869515820 0.98230557389145 0.82330498515508 18.998 > 33 37 F 0.42648130484180 0.23230557389145 0.17669501484492 18.998 > 37 38 F 0.42648130484180 0.73230557389145 0.17669501484492 18.998 > 37 39 F 0.42648130484180 0.23230557389145 0.67669501484492 18.998 > 37 40 F 0.42648130484180 0.73230557389145 0.67669501484492 18.998 > 37 41 F 0.07351869515820 0.48230557389145 0.42669501484492 18.998 > 41 42 F 0.07351869515820 0.98230557389145 0.42669501484492 18.998 > 41 43 F 0.07351869515820 0.48230557389145 0.92669501484492 18.998 > 41 44 F 0.07351869515820 0.98230557389145 0.92669501484492 18.998 > 41 45 F 0.92648130484180 0.23230557389145 0.07330498515508 18.998 > 45 46 F 0.92648130484180 0.73230557389145 0.07330498515508 18.998 > 45 47 F 0.92648130484180 0.23230557389145 0.57330498515508 18.998 > 45 48 F 0.92648130484180 0.73230557389145 0.57330498515508 18.998 > 45 49 F 0.98655609867371 0.37500000000000 0.19486394352001 18.998 > 49 50 F 0.98655609867371 0.87500000000000 0.19486394352001 18.998 > 49 51 F 0.98655609867371 0.37500000000000 0.69486394352001 18.998 > 49 52 F 0.98655609867371 0.87500000000000 0.69486394352001 18.998 > 49 53 F 0.01344390132629 0.12500000000000 0.30513605647999 18.998 > 53 54 F 0.01344390132629 0.62500000000000 0.30513605647999 18.998 > 53 55 F 0.01344390132629 0.12500000000000 0.80513605647999 18.998 > 53 56 F 0.01344390132629 0.62500000000000 0.80513605647999 18.998 > 53 57 F 0.48655609867371 0.37500000000000 0.05513605647999 18.998 > 57 58 F 0.48655609867371 0.87500000000000 0.05513605647999 18.998 > 57 59 F 0.48655609867371 0.37500000000000 0.55513605647999 18.998 > 57 60 F 0.48655609867371 0.87500000000000 0.55513605647999 18.998 > 57 61 F 0.51344390132629 0.12500000000000 0.44486394352001 18.998 > 61 62 F 0.51344390132629 0.62500000000000 0.44486394352001 18.998 > 61 63 F 0.51344390132629 0.12500000000000 0.94486394352001 18.998 > 61 64 F 0.51344390132629 0.62500000000000 0.94486394352001 18.998 > 61 65 F 0.92648130484180 0.01769442610855 0.07330498515508 18.998 > 65 66 F 0.92648130484180 0.51769442610855 0.07330498515508 18.998 > 65 67 F 0.92648130484180 0.01769442610855 0.57330498515508 18.998 > 65 68 F 0.92648130484180 0.51769442610855 0.57330498515508 18.998 > 65 69 F 0.07351869515820 0.26769442610855 0.42669501484492 18.998 > 69 70 F 0.07351869515820 0.76769442610855 0.42669501484492 18.998 > 69 71 F 0.07351869515820 0.26769442610855 0.92669501484492 18.998 > 69 72 F 0.07351869515820 0.76769442610855 0.92669501484492 18.998 > 69 73 F 0.42648130484180 0.01769442610855 0.17669501484492 18.998 > 73 74 F 0.42648130484180 0.51769442610855 0.17669501484492 18.998 > 73 75 F 0.42648130484180 0.01769442610855 0.67669501484492 18.998 > 73 76 F 0.42648130484180 0.51769442610855 0.67669501484492 18.998 > 73 77 F 0.57351869515820 0.26769442610855 0.32330498515508 18.998 > 77 78 F 0.57351869515820 0.76769442610855 0.32330498515508 18.998 > 77 79 F 0.57351869515820 0.26769442610855 0.82330498515508 18.998 > 77 80 F 0.57351869515820 0.76769442610855 0.82330498515508 18.998 > 77 81 K 0.82888521626880 0.49856376672533 0.26857649078669 39.098 > 81 82 K 0.82888521626880 0.99856376672533 0.26857649078669 39.098 > 81 83 K 0.82888521626880 0.49856376672533 0.76857649078669 39.098 > 81 84 K 0.82888521626880 0.99856376672533 0.76857649078669 39.098 > 81 85 K 0.17111478373120 0.24856376672533 0.23142350921331 39.098 > 85 86 K 0.17111478373120 0.74856376672533 0.23142350921331 39.098 > 85 87 K 0.17111478373120 0.24856376672533 0.73142350921331 39.098 > 85 88 K 0.17111478373120 0.74856376672533 0.73142350921331 39.098 > 85 89 K 0.32888521626880 0.49856376672533 0.48142350921331 39.098 > 89 90 K 0.32888521626880 0.99856376672533 0.48142350921331 39.098 > 89 91 K 0.32888521626880 0.49856376672533 0.98142350921331 39.098 > 89 92 K 0.32888521626880 0.99856376672533 0.98142350921331 39.098 > 89 93 K 0.67111478373120 0.24856376672533 0.01857649078669 39.098 > 93 94 K 0.67111478373120 0.74856376672533 0.01857649078669 39.098 > 93 95 K 0.67111478373120 0.24856376672533 0.51857649078669 39.098 > 93 96 K 0.67111478373120 0.74856376672533 0.51857649078669 39.098 > 93 97 K 0.82888521626880 0.25143623327467 0.26857649078669 39.098 > 97 98 K 0.82888521626880 0.75143623327467 0.26857649078669 39.098 > 97 99 K 0.82888521626880 0.25143623327467 0.76857649078669 39.098 > 97 100 K 0.82888521626880 0.75143623327467 0.76857649078669 39.098 > 97 101 K 0.17111478373120 0.00143623327467 0.23142350921331 39.098 > 101 102 K 0.17111478373120 0.50143623327467 0.23142350921331 39.098 > 101 103 K 0.17111478373120 0.00143623327467 0.73142350921331 39.098 > 101 104 K 0.17111478373120 0.50143623327467 0.73142350921331 39.098 > 101 105 K 0.32888521626880 0.25143623327467 0.48142350921331 39.098 > 105 106 K 0.32888521626880 0.75143623327467 0.48142350921331 39.098 > 105 107 K 0.32888521626880 0.25143623327467 0.98142350921331 39.098 > 105 108 K 0.32888521626880 0.75143623327467 0.98142350921331 39.098 > 105 109 K 0.67111478373120 0.00143623327467 0.01857649078669 39.098 > 109 110 K 0.67111478373120 0.50143623327467 0.01857649078669 39.098 > 109 111 K 0.67111478373120 0.00143623327467 0.51857649078669 39.098 > 109 112 K 0.67111478373120 0.50143623327467 0.51857649078669 39.098 > 109 113 Er 0.50266306357367 0.12500000000000 0.28183022753801 167.259 > 113 114 Er 0.50266306357367 0.62500000000000 0.28183022753801 167.259 > 113 115 Er 0.50266306357367 0.12500000000000 0.78183022753801 167.259 > 113 116 Er 0.50266306357367 0.62500000000000 0.78183022753801 167.259 > 113 117 Er 0.49733693642633 0.37500000000000 0.21816977246199 167.259 > 117 118 Er 0.49733693642633 0.87500000000000 0.21816977246199 167.259 > 117 119 Er 0.49733693642633 0.37500000000000 0.71816977246199 167.259 > 117 120 Er 0.49733693642633 0.87500000000000 0.71816977246199 167.259 > 117 121 Er 0.00266306357367 0.12500000000000 0.46816977246199 167.259 > 121 122 Er 0.00266306357367 0.62500000000000 0.46816977246199 167.259 > 121 123 Er 0.00266306357367 0.12500000000000 0.96816977246199 167.259 > 121 124 Er 0.00266306357367 0.62500000000000 0.96816977246199 167.259 > 121 125 Er 0.99733693642633 0.37500000000000 0.03183022753801 167.259 > 125 126 Er 0.99733693642633 0.87500000000000 0.03183022753801 167.259 > 125 127 Er 0.99733693642633 0.37500000000000 0.53183022753801 167.259 > 125 128 Er 0.99733693642633 0.87500000000000 0.53183022753801 167.259 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1706872 0.0000000 0.0000000 0.0000000 2.2099223 0.0000000 0.0000000 0.0000000 2.1618614 -------------------------- Born effective charges -------------------------- 1 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 2 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 3 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 4 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 5 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 6 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 7 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 8 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 9 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 10 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 11 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 12 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 13 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 14 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 15 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 16 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 17 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 18 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 19 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 20 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 21 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 22 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 23 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 24 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 25 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 26 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 27 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 28 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 29 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 30 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 31 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 32 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:15:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.158171300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.593140989999999 Atomic positions (fractional): 1 F 0.83434539662563 0.75000000000000 0.87497556543421 18.998 2 F 0.16565460337437 0.25000000000000 0.12502443456579 18.998 3 F 0.33434539662563 0.75000000000000 0.62502443456579 18.998 4 F 0.66565460337437 0.25000000000000 0.37497556543421 18.998 5 F 0.81061532129983 0.25000000000000 0.84328152751838 18.998 6 F 0.18938467870017 0.75000000000000 0.15671847248162 18.998 7 F 0.31061532129983 0.25000000000000 0.65671847248162 18.998 8 F 0.68938467870017 0.75000000000000 0.34328152751838 18.998 9 F 0.57351869515820 0.96461114778291 0.64660997031016 18.998 10 F 0.42648130484180 0.46461114778291 0.35339002968984 18.998 11 F 0.07351869515820 0.96461114778291 0.85339002968984 18.998 12 F 0.92648130484180 0.46461114778291 0.14660997031016 18.998 13 F 0.98655609867371 0.75000000000000 0.38972788704002 18.998 14 F 0.01344390132629 0.25000000000000 0.61027211295998 18.998 15 F 0.48655609867371 0.75000000000000 0.11027211295998 18.998 16 F 0.51344390132629 0.25000000000000 0.88972788704002 18.998 17 F 0.92648130484180 0.03538885221709 0.14660997031016 18.998 18 F 0.07351869515820 0.53538885221709 0.85339002968984 18.998 19 F 0.42648130484180 0.03538885221709 0.35339002968984 18.998 20 F 0.57351869515820 0.53538885221709 0.64660997031016 18.998 21 K 0.82888521626880 0.99712753345067 0.53715298157338 39.098 22 K 0.17111478373120 0.49712753345067 0.46284701842662 39.098 23 K 0.32888521626880 0.99712753345067 0.96284701842662 39.098 24 K 0.67111478373120 0.49712753345067 0.03715298157338 39.098 25 K 0.82888521626880 0.50287246654933 0.53715298157338 39.098 26 K 0.17111478373120 0.00287246654933 0.46284701842662 39.098 27 K 0.32888521626880 0.50287246654933 0.96284701842662 39.098 28 K 0.67111478373120 0.00287246654933 0.03715298157338 39.098 29 Er 0.50266306357367 0.25000000000000 0.56366045507603 167.259 30 Er 0.49733693642633 0.75000000000000 0.43633954492397 167.259 31 Er 0.00266306357367 0.25000000000000 0.93633954492397 167.259 32 Er 0.99733693642633 0.75000000000000 0.06366045507603 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.812756560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.316342600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.186281979999999 Atomic positions (fractional): 1 F 0.83434539662563 0.37500000000000 0.43748778271711 18.998 > 1 2 F 0.83434539662563 0.87500000000000 0.43748778271711 18.998 > 1 3 F 0.83434539662563 0.37500000000000 0.93748778271711 18.998 > 1 4 F 0.83434539662563 0.87500000000000 0.93748778271711 18.998 > 1 5 F 0.16565460337437 0.12500000000000 0.06251221728289 18.998 > 5 6 F 0.16565460337437 0.62500000000000 0.06251221728289 18.998 > 5 7 F 0.16565460337437 0.12500000000000 0.56251221728289 18.998 > 5 8 F 0.16565460337437 0.62500000000000 0.56251221728289 18.998 > 5 9 F 0.33434539662563 0.37500000000000 0.31251221728289 18.998 > 9 10 F 0.33434539662563 0.87500000000000 0.31251221728289 18.998 > 9 11 F 0.33434539662563 0.37500000000000 0.81251221728289 18.998 > 9 12 F 0.33434539662563 0.87500000000000 0.81251221728289 18.998 > 9 13 F 0.66565460337437 0.12500000000000 0.18748778271711 18.998 > 13 14 F 0.66565460337437 0.62500000000000 0.18748778271711 18.998 > 13 15 F 0.66565460337437 0.12500000000000 0.68748778271711 18.998 > 13 16 F 0.66565460337437 0.62500000000000 0.68748778271711 18.998 > 13 17 F 0.81061532129983 0.12500000000000 0.42164076375919 18.998 > 17 18 F 0.81061532129983 0.62500000000000 0.42164076375919 18.998 > 17 19 F 0.81061532129983 0.12500000000000 0.92164076375919 18.998 > 17 20 F 0.81061532129983 0.62500000000000 0.92164076375919 18.998 > 17 21 F 0.18938467870017 0.37500000000000 0.07835923624081 18.998 > 21 22 F 0.18938467870017 0.87500000000000 0.07835923624081 18.998 > 21 23 F 0.18938467870017 0.37500000000000 0.57835923624081 18.998 > 21 24 F 0.18938467870017 0.87500000000000 0.57835923624081 18.998 > 21 25 F 0.31061532129983 0.12500000000000 0.32835923624081 18.998 > 25 26 F 0.31061532129983 0.62500000000000 0.32835923624081 18.998 > 25 27 F 0.31061532129983 0.12500000000000 0.82835923624081 18.998 > 25 28 F 0.31061532129983 0.62500000000000 0.82835923624081 18.998 > 25 29 F 0.68938467870017 0.37500000000000 0.17164076375919 18.998 > 29 30 F 0.68938467870017 0.87500000000000 0.17164076375919 18.998 > 29 31 F 0.68938467870017 0.37500000000000 0.67164076375919 18.998 > 29 32 F 0.68938467870017 0.87500000000000 0.67164076375919 18.998 > 29 33 F 0.57351869515820 0.48230557389145 0.32330498515508 18.998 > 33 34 F 0.57351869515820 0.98230557389145 0.32330498515508 18.998 > 33 35 F 0.57351869515820 0.48230557389145 0.82330498515508 18.998 > 33 36 F 0.57351869515820 0.98230557389145 0.82330498515508 18.998 > 33 37 F 0.42648130484180 0.23230557389145 0.17669501484492 18.998 > 37 38 F 0.42648130484180 0.73230557389145 0.17669501484492 18.998 > 37 39 F 0.42648130484180 0.23230557389145 0.67669501484492 18.998 > 37 40 F 0.42648130484180 0.73230557389145 0.67669501484492 18.998 > 37 41 F 0.07351869515820 0.48230557389145 0.42669501484492 18.998 > 41 42 F 0.07351869515820 0.98230557389145 0.42669501484492 18.998 > 41 43 F 0.07351869515820 0.48230557389145 0.92669501484492 18.998 > 41 44 F 0.07351869515820 0.98230557389145 0.92669501484492 18.998 > 41 45 F 0.92648130484180 0.23230557389145 0.07330498515508 18.998 > 45 46 F 0.92648130484180 0.73230557389145 0.07330498515508 18.998 > 45 47 F 0.92648130484180 0.23230557389145 0.57330498515508 18.998 > 45 48 F 0.92648130484180 0.73230557389145 0.57330498515508 18.998 > 45 49 F 0.98655609867371 0.37500000000000 0.19486394352001 18.998 > 49 50 F 0.98655609867371 0.87500000000000 0.19486394352001 18.998 > 49 51 F 0.98655609867371 0.37500000000000 0.69486394352001 18.998 > 49 52 F 0.98655609867371 0.87500000000000 0.69486394352001 18.998 > 49 53 F 0.01344390132629 0.12500000000000 0.30513605647999 18.998 > 53 54 F 0.01344390132629 0.62500000000000 0.30513605647999 18.998 > 53 55 F 0.01344390132629 0.12500000000000 0.80513605647999 18.998 > 53 56 F 0.01344390132629 0.62500000000000 0.80513605647999 18.998 > 53 57 F 0.48655609867371 0.37500000000000 0.05513605647999 18.998 > 57 58 F 0.48655609867371 0.87500000000000 0.05513605647999 18.998 > 57 59 F 0.48655609867371 0.37500000000000 0.55513605647999 18.998 > 57 60 F 0.48655609867371 0.87500000000000 0.55513605647999 18.998 > 57 61 F 0.51344390132629 0.12500000000000 0.44486394352001 18.998 > 61 62 F 0.51344390132629 0.62500000000000 0.44486394352001 18.998 > 61 63 F 0.51344390132629 0.12500000000000 0.94486394352001 18.998 > 61 64 F 0.51344390132629 0.62500000000000 0.94486394352001 18.998 > 61 65 F 0.92648130484180 0.01769442610855 0.07330498515508 18.998 > 65 66 F 0.92648130484180 0.51769442610855 0.07330498515508 18.998 > 65 67 F 0.92648130484180 0.01769442610855 0.57330498515508 18.998 > 65 68 F 0.92648130484180 0.51769442610855 0.57330498515508 18.998 > 65 69 F 0.07351869515820 0.26769442610855 0.42669501484492 18.998 > 69 70 F 0.07351869515820 0.76769442610855 0.42669501484492 18.998 > 69 71 F 0.07351869515820 0.26769442610855 0.92669501484492 18.998 > 69 72 F 0.07351869515820 0.76769442610855 0.92669501484492 18.998 > 69 73 F 0.42648130484180 0.01769442610855 0.17669501484492 18.998 > 73 74 F 0.42648130484180 0.51769442610855 0.17669501484492 18.998 > 73 75 F 0.42648130484180 0.01769442610855 0.67669501484492 18.998 > 73 76 F 0.42648130484180 0.51769442610855 0.67669501484492 18.998 > 73 77 F 0.57351869515820 0.26769442610855 0.32330498515508 18.998 > 77 78 F 0.57351869515820 0.76769442610855 0.32330498515508 18.998 > 77 79 F 0.57351869515820 0.26769442610855 0.82330498515508 18.998 > 77 80 F 0.57351869515820 0.76769442610855 0.82330498515508 18.998 > 77 81 K 0.82888521626880 0.49856376672533 0.26857649078669 39.098 > 81 82 K 0.82888521626880 0.99856376672533 0.26857649078669 39.098 > 81 83 K 0.82888521626880 0.49856376672533 0.76857649078669 39.098 > 81 84 K 0.82888521626880 0.99856376672533 0.76857649078669 39.098 > 81 85 K 0.17111478373120 0.24856376672533 0.23142350921331 39.098 > 85 86 K 0.17111478373120 0.74856376672533 0.23142350921331 39.098 > 85 87 K 0.17111478373120 0.24856376672533 0.73142350921331 39.098 > 85 88 K 0.17111478373120 0.74856376672533 0.73142350921331 39.098 > 85 89 K 0.32888521626880 0.49856376672533 0.48142350921331 39.098 > 89 90 K 0.32888521626880 0.99856376672533 0.48142350921331 39.098 > 89 91 K 0.32888521626880 0.49856376672533 0.98142350921331 39.098 > 89 92 K 0.32888521626880 0.99856376672533 0.98142350921331 39.098 > 89 93 K 0.67111478373120 0.24856376672533 0.01857649078669 39.098 > 93 94 K 0.67111478373120 0.74856376672533 0.01857649078669 39.098 > 93 95 K 0.67111478373120 0.24856376672533 0.51857649078669 39.098 > 93 96 K 0.67111478373120 0.74856376672533 0.51857649078669 39.098 > 93 97 K 0.82888521626880 0.25143623327467 0.26857649078669 39.098 > 97 98 K 0.82888521626880 0.75143623327467 0.26857649078669 39.098 > 97 99 K 0.82888521626880 0.25143623327467 0.76857649078669 39.098 > 97 100 K 0.82888521626880 0.75143623327467 0.76857649078669 39.098 > 97 101 K 0.17111478373120 0.00143623327467 0.23142350921331 39.098 > 101 102 K 0.17111478373120 0.50143623327467 0.23142350921331 39.098 > 101 103 K 0.17111478373120 0.00143623327467 0.73142350921331 39.098 > 101 104 K 0.17111478373120 0.50143623327467 0.73142350921331 39.098 > 101 105 K 0.32888521626880 0.25143623327467 0.48142350921331 39.098 > 105 106 K 0.32888521626880 0.75143623327467 0.48142350921331 39.098 > 105 107 K 0.32888521626880 0.25143623327467 0.98142350921331 39.098 > 105 108 K 0.32888521626880 0.75143623327467 0.98142350921331 39.098 > 105 109 K 0.67111478373120 0.00143623327467 0.01857649078669 39.098 > 109 110 K 0.67111478373120 0.50143623327467 0.01857649078669 39.098 > 109 111 K 0.67111478373120 0.00143623327467 0.51857649078669 39.098 > 109 112 K 0.67111478373120 0.50143623327467 0.51857649078669 39.098 > 109 113 Er 0.50266306357367 0.12500000000000 0.28183022753801 167.259 > 113 114 Er 0.50266306357367 0.62500000000000 0.28183022753801 167.259 > 113 115 Er 0.50266306357367 0.12500000000000 0.78183022753801 167.259 > 113 116 Er 0.50266306357367 0.62500000000000 0.78183022753801 167.259 > 113 117 Er 0.49733693642633 0.37500000000000 0.21816977246199 167.259 > 117 118 Er 0.49733693642633 0.87500000000000 0.21816977246199 167.259 > 117 119 Er 0.49733693642633 0.37500000000000 0.71816977246199 167.259 > 117 120 Er 0.49733693642633 0.87500000000000 0.71816977246199 167.259 > 117 121 Er 0.00266306357367 0.12500000000000 0.46816977246199 167.259 > 121 122 Er 0.00266306357367 0.62500000000000 0.46816977246199 167.259 > 121 123 Er 0.00266306357367 0.12500000000000 0.96816977246199 167.259 > 121 124 Er 0.00266306357367 0.62500000000000 0.96816977246199 167.259 > 121 125 Er 0.99733693642633 0.37500000000000 0.03183022753801 167.259 > 125 126 Er 0.99733693642633 0.87500000000000 0.03183022753801 167.259 > 125 127 Er 0.99733693642633 0.37500000000000 0.53183022753801 167.259 > 125 128 Er 0.99733693642633 0.87500000000000 0.53183022753801 167.259 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1706872 0.0000000 0.0000000 0.0000000 2.2099223 0.0000000 0.0000000 0.0000000 2.1618614 -------------------------- Born effective charges -------------------------- 1 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 2 F -1.3529381 0.0000000 -0.3405190 0.0000000 -0.9813321 0.0000000 -0.3164085 0.0000000 -1.1185628 3 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 4 F -1.3529381 0.0000000 0.3405190 0.0000000 -0.9813321 0.0000000 0.3164085 0.0000000 -1.1185628 5 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 6 F -1.5469892 0.0000000 -0.1512011 0.0000000 -0.9755858 0.0000000 -0.1838299 0.0000000 -0.9794144 7 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 8 F -1.5469892 0.0000000 0.1512011 0.0000000 -0.9755858 0.0000000 0.1838299 0.0000000 -0.9794144 9 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 10 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 11 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 12 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 13 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 14 F -0.9536503 0.0000000 0.0891800 0.0000000 -0.9504749 0.0000000 0.0802466 0.0000000 -1.5220695 15 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 16 F -0.9536503 0.0000000 -0.0891800 0.0000000 -0.9504749 0.0000000 -0.0802466 0.0000000 -1.5220695 17 F -0.9199405 0.0205096 0.1661135 0.0120225 -1.5754708 0.2007782 0.1805635 0.1815521 -1.0057031 18 F -0.9199405 -0.0205096 0.1661135 -0.0120225 -1.5754708 -0.2007782 0.1805635 -0.1815521 -1.0057031 19 F -0.9199405 0.0205096 -0.1661135 0.0120225 -1.5754708 -0.2007782 -0.1805635 -0.1815521 -1.0057031 20 F -0.9199405 -0.0205096 -0.1661135 -0.0120225 -1.5754708 0.2007782 -0.1805635 0.1815521 -1.0057031 21 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 22 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 23 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 24 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 25 K 1.2259621 -0.0085397 0.0399700 0.0021316 1.1682358 -0.0681783 0.0035910 -0.0998341 1.1940711 26 K 1.2259621 0.0085397 0.0399700 -0.0021316 1.1682358 0.0681783 0.0035910 0.0998341 1.1940711 27 K 1.2259621 -0.0085397 -0.0399700 0.0021316 1.1682358 0.0681783 -0.0035910 0.0998341 1.1940711 28 K 1.2259621 0.0085397 -0.0399700 -0.0021316 1.1682358 -0.0681783 -0.0035910 -0.0998341 1.1940711 29 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 30 Er 3.2415344 0.0000000 -0.2119297 0.0000000 3.7218628 0.0000000 -0.2108347 0.0000000 3.2433109 31 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 32 Er 3.2415344 0.0000000 0.2119297 0.0000000 3.7218628 0.0000000 0.2108347 0.0000000 3.2433109 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.777 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 10.993 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.093 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 12.088 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 19.165 0.000 0.000) 19.165 0.416 ( 22.259 0.000 0.000) 22.259 0.671 ( 34.761 0.000 0.000) 34.761 1.403 ( -16.263 0.000 0.000) 16.263 1.469 ( -12.107 0.000 0.000) 12.107 1.844 ( -3.130 0.000 0.000) 3.130 2.014 ( 0.827 0.000 0.000) 0.827 2.067 ( -0.672 0.000 0.000) 0.672 2.150 ( 11.837 0.000 0.000) 11.837 2.281 ( 3.168 0.000 0.000) 3.168 2.428 ( 5.685 0.000 0.000) 5.685 2.711 ( -3.263 0.000 0.000) 3.263 2.895 ( 0.559 0.000 0.000) 0.559 2.932 ( 3.667 0.000 0.000) 3.667 3.090 ( -1.304 0.000 0.000) 1.304 3.097 ( -1.531 0.000 0.000) 1.531 3.107 ( 1.885 0.000 0.000) 1.885 3.185 ( -1.549 0.000 0.000) 1.549 3.201 ( 0.575 0.000 0.000) 0.575 3.286 ( 2.861 0.000 0.000) 2.861 3.455 ( -15.627 0.000 0.000) 15.627 3.478 ( -10.331 0.000 0.000) 10.331 3.572 ( -9.356 0.000 0.000) 9.356 3.592 ( -5.526 0.000 0.000) 5.526 3.816 ( 4.100 0.000 0.000) 4.100 3.885 ( 9.908 0.000 0.000) 9.908 3.925 ( 3.991 0.000 0.000) 3.991 4.056 ( 1.038 0.000 0.000) 1.038 4.065 ( 1.629 0.000 0.000) 1.629 4.094 ( -1.398 0.000 0.000) 1.398 4.114 ( -1.765 0.000 0.000) 1.765 4.270 ( 4.749 0.000 0.000) 4.749 4.319 ( -1.810 0.000 0.000) 1.810 4.449 ( -1.668 0.000 0.000) 1.668 4.631 ( 1.475 0.000 0.000) 1.475 4.709 ( 5.859 0.000 0.000) 5.859 4.794 ( 5.114 0.000 0.000) 5.114 4.839 ( 2.415 0.000 0.000) 2.415 4.866 ( -2.907 0.000 0.000) 2.907 5.076 ( -4.243 0.000 0.000) 4.243 5.096 ( 3.175 0.000 0.000) 3.175 5.219 ( -2.606 0.000 0.000) 2.606 5.251 ( 2.547 0.000 0.000) 2.547 5.253 ( 3.442 0.000 0.000) 3.442 5.446 ( -2.000 0.000 0.000) 2.000 5.447 ( -3.377 0.000 0.000) 3.377 5.800 ( -6.053 0.000 0.000) 6.053 5.827 ( -1.187 0.000 0.000) 1.187 5.852 ( 0.995 0.000 0.000) 0.995 5.944 ( -1.387 0.000 0.000) 1.387 5.987 ( -5.468 0.000 0.000) 5.468 6.010 ( 1.915 0.000 0.000) 1.915 6.329 ( 0.733 0.000 0.000) 0.733 6.381 ( 9.335 0.000 0.000) 9.335 6.441 ( -2.178 0.000 0.000) 2.178 6.613 ( 1.382 0.000 0.000) 1.382 6.661 ( -1.974 0.000 0.000) 1.974 6.666 ( 0.460 0.000 0.000) 0.460 7.140 ( 2.162 0.000 0.000) 2.162 7.178 ( -1.208 0.000 0.000) 1.208 7.206 ( -1.714 0.000 0.000) 1.714 7.250 ( -0.956 0.000 0.000) 0.956 7.646 ( 1.763 0.000 0.000) 1.763 7.667 ( 1.387 0.000 0.000) 1.387 7.784 ( -2.242 0.000 0.000) 2.242 7.810 ( -3.418 0.000 0.000) 3.418 7.977 ( 2.501 0.000 0.000) 2.501 8.036 ( 4.865 0.000 0.000) 4.865 8.061 ( -0.135 0.000 0.000) 0.135 8.325 ( -5.024 0.000 0.000) 5.024 8.573 ( 6.965 0.000 0.000) 6.965 9.030 ( -6.319 0.000 0.000) 6.319 9.130 ( 3.541 0.000 0.000) 3.541 9.466 ( -4.957 0.000 0.000) 4.957 9.587 ( 0.153 0.000 0.000) 0.153 9.601 ( -0.188 0.000 0.000) 0.188 9.778 ( 0.052 0.000 0.000) 0.052 9.781 ( -0.032 0.000 0.000) 0.032 10.275 ( -0.779 0.000 0.000) 0.779 10.423 ( -1.811 0.000 0.000) 1.811 10.483 ( 6.257 0.000 0.000) 6.257 10.484 ( 1.246 0.000 0.000) 1.246 10.622 ( 3.978 0.000 0.000) 3.978 10.626 ( -0.839 0.000 0.000) 0.839 10.824 ( -1.749 0.000 0.000) 1.749 10.994 ( 0.164 0.000 0.000) 0.164 11.004 ( -0.980 0.000 0.000) 0.980 11.043 ( -4.571 0.000 0.000) 4.571 11.201 ( 1.212 0.000 0.000) 1.212 11.302 ( -1.260 0.000 0.000) 1.260 12.151 ( 6.349 0.000 0.000) 6.349 12.652 ( -8.587 0.000 0.000) 8.587 12.904 ( 4.960 0.000 0.000) 4.960 13.054 ( -0.884 0.000 0.000) 0.884 13.523 ( 0.977 0.000 0.000) 0.977 13.597 ( -0.844 0.000 0.000) 0.844 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 19.055 0.000 0.000) 19.055 0.818 ( 20.964 0.000 0.000) 20.964 1.048 ( -15.572 0.000 0.000) 15.572 1.183 ( -18.128 0.000 0.000) 18.128 1.288 ( 25.088 0.000 0.000) 25.088 1.687 ( -15.152 0.000 0.000) 15.152 2.033 ( 1.087 0.000 0.000) 1.087 2.052 ( -0.959 0.000 0.000) 0.959 2.323 ( 5.422 0.000 0.000) 5.422 2.341 ( 2.385 0.000 0.000) 2.385 2.540 ( 5.909 0.000 0.000) 5.909 2.638 ( -4.606 0.000 0.000) 4.606 2.942 ( 5.403 0.000 0.000) 5.403 3.005 ( 3.681 0.000 0.000) 3.681 3.057 ( -3.075 0.000 0.000) 3.075 3.061 ( -2.427 0.000 0.000) 2.427 3.148 ( -2.027 0.000 0.000) 2.027 3.168 ( 5.038 0.000 0.000) 5.038 3.178 ( -8.437 0.000 0.000) 8.437 3.267 ( 3.603 0.000 0.000) 3.603 3.293 ( -7.720 0.000 0.000) 7.720 3.369 ( 4.298 0.000 0.000) 4.298 3.394 ( -9.011 0.000 0.000) 9.011 3.475 ( -6.507 0.000 0.000) 6.507 3.886 ( 3.526 0.000 0.000) 3.526 3.939 ( -1.732 0.000 0.000) 1.732 4.016 ( 3.467 0.000 0.000) 3.467 4.059 ( -2.105 0.000 0.000) 2.105 4.077 ( 0.940 0.000 0.000) 0.940 4.085 ( 0.241 0.000 0.000) 0.241 4.144 ( 5.485 0.000 0.000) 5.485 4.255 ( -5.172 0.000 0.000) 5.172 4.350 ( 3.777 0.000 0.000) 3.777 4.409 ( -2.628 0.000 0.000) 2.628 4.691 ( 4.681 0.000 0.000) 4.681 4.783 ( -4.806 0.000 0.000) 4.806 4.841 ( 7.773 0.000 0.000) 7.773 4.889 ( 2.387 0.000 0.000) 2.387 4.892 ( 2.926 0.000 0.000) 2.926 4.976 ( -6.480 0.000 0.000) 6.480 5.189 ( 6.757 0.000 0.000) 6.757 5.195 ( 1.206 0.000 0.000) 1.206 5.252 ( -2.862 0.000 0.000) 2.862 5.324 ( 3.983 0.000 0.000) 3.983 5.334 ( -8.070 0.000 0.000) 8.070 5.394 ( -3.447 0.000 0.000) 3.447 5.744 ( 0.517 0.000 0.000) 0.517 5.789 ( -3.064 0.000 0.000) 3.064 5.877 ( 1.683 0.000 0.000) 1.683 5.911 ( -1.942 0.000 0.000) 1.942 5.954 ( 1.608 0.000 0.000) 1.608 6.002 ( -2.345 0.000 0.000) 2.345 6.352 ( 1.787 0.000 0.000) 1.787 6.394 ( -2.592 0.000 0.000) 2.592 6.528 ( 6.268 0.000 0.000) 6.268 6.614 ( -3.273 0.000 0.000) 3.273 6.644 ( 1.679 0.000 0.000) 1.679 6.666 ( -0.594 0.000 0.000) 0.594 7.161 ( -0.278 0.000 0.000) 0.278 7.173 ( -1.499 0.000 0.000) 1.499 7.185 ( 2.434 0.000 0.000) 2.434 7.225 ( -1.783 0.000 0.000) 1.783 7.688 ( 2.589 0.000 0.000) 2.589 7.702 ( 2.284 0.000 0.000) 2.284 7.737 ( -2.689 0.000 0.000) 2.689 7.750 ( -2.956 0.000 0.000) 2.956 8.023 ( 2.187 0.000 0.000) 2.187 8.052 ( -0.981 0.000 0.000) 0.981 8.132 ( 5.337 0.000 0.000) 5.337 8.230 ( -5.201 0.000 0.000) 5.201 8.718 ( 8.588 0.000 0.000) 8.588 8.883 ( -8.919 0.000 0.000) 8.919 9.222 ( 6.255 0.000 0.000) 6.255 9.350 ( -7.100 0.000 0.000) 7.100 9.591 ( 0.265 0.000 0.000) 0.265 9.596 ( -0.286 0.000 0.000) 0.286 9.779 ( 0.074 0.000 0.000) 0.074 9.780 ( -0.061 0.000 0.000) 0.061 10.290 ( 2.316 0.000 0.000) 2.316 10.353 ( -4.150 0.000 0.000) 4.150 10.548 ( 3.637 0.000 0.000) 3.637 10.595 ( 1.496 0.000 0.000) 1.496 10.606 ( 2.386 0.000 0.000) 2.386 10.672 ( -0.371 0.000 0.000) 0.371 10.812 ( 2.373 0.000 0.000) 2.373 10.914 ( -6.959 0.000 0.000) 6.959 10.999 ( 0.326 0.000 0.000) 0.326 11.006 ( -0.502 0.000 0.000) 0.502 11.232 ( 1.987 0.000 0.000) 1.987 11.270 ( -2.016 0.000 0.000) 2.016 12.302 ( 9.380 0.000 0.000) 9.380 12.481 ( -9.719 0.000 0.000) 9.719 12.980 ( 3.294 0.000 0.000) 3.294 13.028 ( -1.942 0.000 0.000) 1.942 13.547 ( 1.510 0.000 0.000) 1.510 13.575 ( -1.428 0.000 0.000) 1.428 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.000 22.704 0.000) 22.704 0.482 ( 0.000 24.193 0.000) 24.193 0.944 ( 0.000 46.251 0.000) 46.251 1.614 ( 0.000 4.421 0.000) 4.421 1.822 ( 0.000 20.885 0.000) 20.885 1.848 ( 0.000 -1.037 0.000) 1.037 1.974 ( 0.000 -1.715 0.000) 1.715 2.051 ( 0.000 4.068 0.000) 4.068 2.103 ( 0.000 0.229 0.000) 0.229 2.202 ( 0.000 -2.714 0.000) 2.714 2.479 ( 0.000 10.437 0.000) 10.437 2.733 ( 0.000 -12.733 0.000) 12.733 2.873 ( 0.000 7.465 0.000) 7.465 2.930 ( 0.000 3.781 0.000) 3.781 2.986 ( 0.000 -7.640 0.000) 7.640 3.021 ( 0.000 -7.392 0.000) 7.392 3.098 ( 0.000 -1.328 0.000) 1.328 3.224 ( 0.000 5.716 0.000) 5.716 3.237 ( 0.000 2.993 0.000) 2.993 3.345 ( 0.000 5.682 0.000) 5.682 3.383 ( 0.000 2.185 0.000) 2.185 3.620 ( 0.000 -1.873 0.000) 1.873 3.661 ( 0.000 -3.987 0.000) 3.987 3.662 ( 0.000 -4.204 0.000) 4.204 3.716 ( 0.000 2.101 0.000) 2.101 3.786 ( 0.000 10.391 0.000) 10.391 3.833 ( 0.000 1.598 0.000) 1.598 3.962 ( 0.000 -6.406 0.000) 6.406 4.013 ( 0.000 -3.066 0.000) 3.066 4.131 ( 0.000 2.071 0.000) 2.071 4.217 ( 0.000 2.937 0.000) 2.937 4.286 ( 0.000 10.307 0.000) 10.307 4.468 ( 0.000 -0.627 0.000) 0.627 4.593 ( 0.000 -5.543 0.000) 5.543 4.600 ( 0.000 -1.897 0.000) 1.897 4.636 ( 0.000 8.034 0.000) 8.034 4.724 ( 0.000 -1.514 0.000) 1.514 4.800 ( 0.000 -2.023 0.000) 2.023 4.900 ( 0.000 1.966 0.000) 1.966 4.974 ( 0.000 -8.584 0.000) 8.584 5.164 ( 0.000 3.756 0.000) 3.756 5.165 ( 0.000 -2.213 0.000) 2.213 5.192 ( 0.000 -5.565 0.000) 5.565 5.329 ( 0.000 7.848 0.000) 7.848 5.435 ( 0.000 -1.428 0.000) 1.428 5.463 ( 0.000 -0.601 0.000) 0.601 5.703 ( 0.000 -13.575 0.000) 13.575 5.718 ( 0.000 -0.641 0.000) 0.641 5.793 ( 0.000 -2.553 0.000) 2.553 5.872 ( 0.000 -9.717 0.000) 9.717 5.887 ( 0.000 -5.388 0.000) 5.388 6.040 ( 0.000 2.199 0.000) 2.199 6.245 ( 0.000 7.581 0.000) 7.581 6.366 ( 0.000 -6.691 0.000) 6.691 6.526 ( 0.000 -6.066 0.000) 6.066 6.629 ( 0.000 -3.273 0.000) 3.273 6.744 ( 0.000 3.173 0.000) 3.173 6.954 ( 0.000 4.021 0.000) 4.021 6.979 ( 0.000 -7.757 0.000) 7.757 7.086 ( 0.000 -1.109 0.000) 1.109 7.272 ( 0.000 2.770 0.000) 2.770 7.364 ( 0.000 11.047 0.000) 11.047 7.678 ( 0.000 2.415 0.000) 2.415 7.703 ( 0.000 -10.018 0.000) 10.018 7.711 ( 0.000 7.781 0.000) 7.781 7.847 ( 0.000 -0.662 0.000) 0.662 8.059 ( 0.000 -0.435 0.000) 0.435 8.097 ( 0.000 5.977 0.000) 5.977 8.366 ( 0.000 -2.831 0.000) 2.831 8.471 ( 0.000 -1.314 0.000) 1.314 8.723 ( 0.000 -1.059 0.000) 1.059 8.911 ( 0.000 -3.397 0.000) 3.397 9.191 ( 0.000 6.713 0.000) 6.713 9.475 ( 0.000 -1.074 0.000) 1.074 9.574 ( 0.000 -1.172 0.000) 1.172 9.643 ( 0.000 3.754 0.000) 3.754 9.898 ( 0.000 8.898 0.000) 8.898 10.092 ( 0.000 4.821 0.000) 4.821 10.287 ( 0.000 -1.251 0.000) 1.251 10.425 ( 0.000 1.291 0.000) 1.291 10.470 ( 0.000 6.213 0.000) 6.213 10.506 ( 0.000 -1.207 0.000) 1.207 10.646 ( 0.000 1.340 0.000) 1.340 10.690 ( 0.000 -0.878 0.000) 0.878 10.895 ( 0.000 0.284 0.000) 0.284 10.982 ( 0.000 -0.979 0.000) 0.979 10.998 ( 0.000 -1.153 0.000) 1.153 11.072 ( 0.000 -1.890 0.000) 1.890 11.170 ( 0.000 -1.936 0.000) 1.936 11.320 ( 0.000 0.754 0.000) 0.754 11.984 ( 0.000 -10.136 0.000) 10.136 12.132 ( 0.000 -10.120 0.000) 10.120 12.894 ( 0.000 8.490 0.000) 8.490 13.097 ( 0.000 3.535 0.000) 3.535 13.494 ( 0.000 -1.248 0.000) 1.248 13.601 ( 0.000 -0.515 0.000) 0.515 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 10.926 19.174 0.000) 22.068 0.615 ( 15.291 15.192 0.000) 21.554 1.139 ( 18.133 37.046 0.000) 41.246 1.446 ( -14.307 4.822 0.000) 15.098 1.634 ( -14.428 9.941 0.000) 17.522 1.878 ( -1.639 8.735 0.000) 8.887 2.058 ( 0.821 3.197 0.000) 3.301 2.110 ( 0.400 0.225 0.000) 0.459 2.125 ( 11.180 -1.975 0.000) 11.353 2.241 ( 3.689 -1.428 0.000) 3.956 2.546 ( 5.975 10.844 0.000) 12.381 2.751 ( 1.980 -10.157 0.000) 10.349 2.832 ( -2.860 7.748 0.000) 8.259 2.979 ( 3.925 0.981 0.000) 4.045 2.984 ( -0.371 -7.499 0.000) 7.509 3.012 ( -0.572 -5.168 0.000) 5.199 3.081 ( -1.484 -1.465 0.000) 2.085 3.213 ( -0.405 5.424 0.000) 5.439 3.227 ( -0.949 2.963 0.000) 3.111 3.373 ( 2.481 4.972 0.000) 5.557 3.433 ( -13.981 -1.234 0.000) 14.035 3.450 ( 0.406 -4.230 0.000) 4.250 3.492 ( -9.307 1.422 0.000) 9.415 3.686 ( 3.112 -4.616 0.000) 5.567 3.721 ( -5.501 8.605 0.000) 10.213 3.868 ( 5.259 -1.597 0.000) 5.496 3.935 ( 7.405 0.907 0.000) 7.460 3.976 ( 1.426 -6.528 0.000) 6.682 4.033 ( 2.000 -2.443 0.000) 3.157 4.127 ( -0.588 2.495 0.000) 2.563 4.140 ( -4.021 1.542 0.000) 4.307 4.367 ( 5.542 9.606 0.000) 11.090 4.427 ( -4.657 0.392 0.000) 4.673 4.570 ( -3.754 11.134 0.000) 11.750 4.620 ( 2.159 -1.035 0.000) 2.395 4.645 ( 4.339 -5.921 0.000) 7.340 4.777 ( 4.835 -3.271 0.000) 5.838 4.810 ( 0.913 -3.610 0.000) 3.723 4.869 ( -2.206 2.819 0.000) 3.580 4.970 ( -0.505 -7.671 0.000) 7.688 5.158 ( 0.317 3.539 0.000) 3.554 5.168 ( -2.194 -4.880 0.000) 5.351 5.189 ( 1.688 -2.721 0.000) 3.202 5.356 ( 1.935 6.091 0.000) 6.392 5.431 ( -3.694 -0.814 0.000) 3.783 5.464 ( 0.319 -0.642 0.000) 0.717 5.660 ( -1.470 -5.354 0.000) 5.552 5.701 ( 0.219 -8.671 0.000) 8.674 5.818 ( 2.529 -1.673 0.000) 3.032 5.863 ( -1.781 -5.281 0.000) 5.573 6.015 ( 8.489 -10.627 0.000) 13.601 6.036 ( -0.948 0.309 0.000) 0.998 6.211 ( -3.184 7.823 0.000) 8.446 6.348 ( -1.806 -6.709 0.000) 6.948 6.510 ( -1.230 -4.092 0.000) 4.273 6.619 ( -1.437 -2.800 0.000) 3.147 6.741 ( 0.003 3.201 0.000) 3.201 6.796 ( -7.382 9.592 0.000) 12.104 6.989 ( 0.945 -8.000 0.000) 8.056 7.111 ( -1.486 -4.145 0.000) 4.403 7.287 ( 1.424 2.989 0.000) 3.311 7.349 ( -1.369 9.914 0.000) 10.008 7.681 ( 0.426 2.008 0.000) 2.052 7.722 ( 0.639 -6.228 0.000) 6.261 7.747 ( 3.581 8.758 0.000) 9.462 7.861 ( 2.236 -3.384 0.000) 4.056 8.053 ( -0.893 -0.908 0.000) 1.273 8.128 ( 2.590 7.007 0.000) 7.470 8.311 ( -3.732 -1.510 0.000) 4.026 8.315 ( -22.955 19.017 0.000) 29.809 8.556 ( 7.006 -1.522 0.000) 7.169 8.958 ( -1.758 -5.196 0.000) 5.486 9.169 ( 0.629 4.901 0.000) 4.941 9.438 ( -3.803 -0.400 0.000) 3.824 9.628 ( 2.702 1.690 0.000) 3.187 9.645 ( 0.150 4.022 0.000) 4.024 9.885 ( -1.155 8.153 0.000) 8.235 9.954 ( -7.694 11.501 0.000) 13.838 10.277 ( -0.223 -0.170 0.000) 0.280 10.440 ( -2.040 1.490 0.000) 2.526 10.502 ( 1.711 0.363 0.000) 1.749 10.529 ( 5.260 4.672 0.000) 7.035 10.627 ( 0.333 0.540 0.000) 0.635 10.640 ( -0.693 1.538 0.000) 1.687 10.842 ( -2.508 1.544 0.000) 2.945 10.987 ( -1.548 -1.642 0.000) 2.256 10.987 ( -0.337 -1.054 0.000) 1.106 11.027 ( -3.573 -1.323 0.000) 3.810 11.184 ( 1.490 -1.612 0.000) 2.195 11.305 ( -1.537 0.491 0.000) 1.613 12.041 ( 5.675 -10.637 0.000) 12.056 12.321 ( 5.507 -22.214 0.000) 22.886 12.944 ( 4.276 5.877 0.000) 7.268 13.089 ( -0.882 3.544 0.000) 3.652 13.507 ( 1.283 -1.336 0.000) 1.852 13.592 ( -0.935 -0.587 0.000) 1.104 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 14.713 12.184 0.000) 19.103 0.937 ( 16.522 8.496 0.000) 18.579 1.166 ( -13.228 9.582 0.000) 16.334 1.326 ( -18.077 9.289 0.000) 20.324 1.506 ( 18.918 22.420 0.000) 29.335 1.778 ( -9.763 12.023 0.000) 15.488 2.076 ( 1.250 2.472 0.000) 2.770 2.103 ( -1.258 1.637 0.000) 2.065 2.286 ( 4.890 -2.972 0.000) 5.723 2.304 ( 2.102 -1.739 0.000) 2.728 2.660 ( 5.725 10.726 0.000) 12.158 2.749 ( -3.700 8.552 0.000) 9.318 2.852 ( 6.753 -5.869 0.000) 8.947 2.967 ( -2.010 -6.913 0.000) 7.199 2.997 ( -0.318 -8.073 0.000) 8.079 3.036 ( -4.792 -3.773 0.000) 6.099 3.072 ( 5.101 4.078 0.000) 6.531 3.162 ( -6.205 2.206 0.000) 6.586 3.213 ( 0.570 2.765 0.000) 2.823 3.248 ( -3.033 0.022 0.000) 3.033 3.347 ( -3.502 2.332 0.000) 4.208 3.382 ( -5.162 -0.236 0.000) 5.168 3.463 ( 5.616 7.582 0.000) 9.435 3.586 ( -7.296 8.316 0.000) 11.063 3.779 ( 4.947 -6.608 0.000) 8.255 3.865 ( -3.843 -4.297 0.000) 5.765 4.005 ( 1.396 -6.345 0.000) 6.496 4.016 ( 0.610 -4.499 0.000) 4.540 4.082 ( 1.730 2.881 0.000) 3.361 4.108 ( -1.351 3.161 0.000) 3.438 4.163 ( 7.306 0.280 0.000) 7.312 4.310 ( -7.511 1.564 0.000) 7.672 4.460 ( 4.148 10.405 0.000) 11.202 4.518 ( -2.434 10.707 0.000) 10.980 4.681 ( 4.351 -1.250 0.000) 4.527 4.737 ( 4.828 -7.372 0.000) 8.812 4.768 ( -4.210 -2.820 0.000) 5.067 4.809 ( -1.919 -7.862 0.000) 8.093 4.921 ( 4.931 1.485 0.000) 5.150 4.960 ( -0.373 -1.630 0.000) 1.672 5.138 ( 0.136 -5.364 0.000) 5.365 5.182 ( -2.371 -5.937 0.000) 6.393 5.205 ( 4.354 2.061 0.000) 4.817 5.322 ( -7.214 -0.658 0.000) 7.244 5.387 ( 1.964 3.914 0.000) 4.379 5.432 ( -2.579 2.359 0.000) 3.496 5.683 ( 2.387 -5.713 0.000) 6.192 5.711 ( -0.139 -3.285 0.000) 3.287 5.860 ( 2.159 -2.731 0.000) 3.481 5.871 ( 2.499 -1.372 0.000) 2.851 6.000 ( -2.314 -1.261 0.000) 2.635 6.023 ( -5.095 1.593 0.000) 5.338 6.231 ( 4.580 -5.935 0.000) 7.497 6.303 ( -3.046 -6.870 0.000) 7.515 6.518 ( 2.296 -2.109 0.000) 3.118 6.574 ( -3.125 -2.243 0.000) 3.847 6.743 ( -0.129 5.766 0.000) 5.768 6.745 ( 0.155 3.811 0.000) 3.815 7.012 ( 1.712 -7.971 0.000) 8.153 7.058 ( -3.176 -6.428 0.000) 7.170 7.309 ( 0.889 4.799 0.000) 4.881 7.325 ( -1.023 7.422 0.000) 7.492 7.694 ( 0.919 0.772 0.000) 1.200 7.713 ( -1.065 -1.263 0.000) 1.652 7.836 ( 5.990 10.980 0.000) 12.507 7.918 ( 1.786 -3.029 0.000) 3.516 8.015 ( -8.093 15.936 0.000) 17.873 8.018 ( -2.848 -2.055 0.000) 3.512 8.198 ( 2.925 2.785 0.000) 4.039 8.251 ( -2.835 1.040 0.000) 3.020 8.702 ( 8.547 -1.356 0.000) 8.654 8.858 ( -7.787 -2.193 0.000) 8.090 9.232 ( 5.383 2.327 0.000) 5.864 9.343 ( -6.082 0.961 0.000) 6.158 9.648 ( 0.219 4.678 0.000) 4.683 9.651 ( 0.166 4.713 0.000) 4.716 9.867 ( -0.522 7.045 0.000) 7.064 9.875 ( -1.682 7.877 0.000) 8.054 10.296 ( 2.394 0.422 0.000) 2.431 10.361 ( -4.432 0.704 0.000) 4.488 10.570 ( 3.457 1.910 0.000) 3.949 10.612 ( -0.261 0.704 0.000) 0.751 10.636 ( 3.407 4.012 0.000) 5.263 10.669 ( 1.858 -0.429 0.000) 1.907 10.810 ( 0.312 0.198 0.000) 0.369 10.889 ( -6.630 -2.388 0.000) 7.047 10.991 ( 0.288 -0.810 0.000) 0.860 10.998 ( -0.559 -0.777 0.000) 0.957 11.221 ( 2.360 -0.961 0.000) 2.549 11.267 ( -2.421 -0.180 0.000) 2.428 12.170 ( 7.671 -12.381 0.000) 14.565 12.299 ( -5.449 -16.161 0.000) 17.055 13.016 ( 3.223 4.030 0.000) 5.161 13.063 ( -1.913 3.625 0.000) 4.099 13.536 ( 1.744 -1.090 0.000) 2.057 13.568 ( -1.596 -0.793 0.000) 1.782 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 22.124 0.000) 22.124 0.963 ( 0.000 23.904 0.000) 23.904 1.743 ( 0.000 8.352 0.000) 8.352 1.798 ( 0.000 32.270 0.000) 32.270 1.835 ( 0.000 -0.080 0.000) 0.080 1.919 ( 0.000 0.381 0.000) 0.381 2.011 ( 0.000 -6.875 0.000) 6.875 2.137 ( 0.000 -6.865 0.000) 6.865 2.145 ( 0.000 4.861 0.000) 4.861 2.319 ( 0.000 25.098 0.000) 25.098 2.463 ( 0.000 -12.227 0.000) 12.227 2.709 ( 0.000 -12.254 0.000) 12.254 2.731 ( 0.000 13.452 0.000) 13.452 2.909 ( 0.000 1.848 0.000) 1.848 3.040 ( 0.000 7.095 0.000) 7.095 3.066 ( 0.000 -1.866 0.000) 1.866 3.220 ( 0.000 15.111 0.000) 15.111 3.309 ( 0.000 3.576 0.000) 3.576 3.377 ( 0.000 10.306 0.000) 10.306 3.421 ( 0.000 0.844 0.000) 0.844 3.422 ( 0.000 0.390 0.000) 0.390 3.549 ( 0.000 -6.994 0.000) 6.994 3.580 ( 0.000 -3.333 0.000) 3.333 3.587 ( 0.000 -1.217 0.000) 1.217 3.726 ( 0.000 -1.180 0.000) 1.180 3.794 ( 0.000 -9.896 0.000) 9.896 3.869 ( 0.000 -1.385 0.000) 1.385 3.969 ( 0.000 2.342 0.000) 2.342 4.014 ( 0.000 12.471 0.000) 12.471 4.185 ( 0.000 1.876 0.000) 1.876 4.296 ( 0.000 -14.688 0.000) 14.688 4.339 ( 0.000 9.304 0.000) 9.304 4.505 ( 0.000 10.098 0.000) 10.098 4.559 ( 0.000 2.304 0.000) 2.304 4.576 ( 0.000 0.567 0.000) 0.567 4.636 ( 0.000 -5.497 0.000) 5.497 4.662 ( 0.000 -13.271 0.000) 13.271 4.741 ( 0.000 0.344 0.000) 0.344 4.814 ( 0.000 -5.084 0.000) 5.084 5.048 ( 0.000 -9.615 0.000) 9.615 5.071 ( 0.000 14.419 0.000) 14.419 5.095 ( 0.000 -5.298 0.000) 5.298 5.240 ( 0.000 0.946 0.000) 0.946 5.415 ( 0.000 -0.921 0.000) 0.921 5.431 ( 0.000 -10.551 0.000) 10.551 5.450 ( 0.000 -0.535 0.000) 0.535 5.495 ( 0.000 7.176 0.000) 7.176 5.586 ( 0.000 -7.826 0.000) 7.826 5.689 ( 0.000 -8.150 0.000) 8.150 5.776 ( 0.000 -3.906 0.000) 3.906 5.807 ( 0.000 -0.135 0.000) 0.135 6.037 ( 0.000 -2.237 0.000) 2.237 6.257 ( 0.000 -3.573 0.000) 3.573 6.357 ( 0.000 3.299 0.000) 3.299 6.402 ( 0.000 -5.338 0.000) 5.338 6.518 ( 0.000 -7.775 0.000) 7.775 6.770 ( 0.000 -0.136 0.000) 0.136 6.848 ( 0.000 -4.955 0.000) 4.955 7.028 ( 0.000 3.008 0.000) 3.008 7.066 ( 0.000 -0.614 0.000) 0.614 7.344 ( 0.000 3.953 0.000) 3.953 7.536 ( 0.000 -6.424 0.000) 6.424 7.591 ( 0.000 11.195 0.000) 11.195 7.748 ( 0.000 4.580 0.000) 4.580 7.841 ( 0.000 0.623 0.000) 0.623 7.884 ( 0.000 7.413 0.000) 7.413 8.034 ( 0.000 -2.334 0.000) 2.334 8.131 ( 0.000 -2.648 0.000) 2.648 8.298 ( 0.000 -2.867 0.000) 2.867 8.434 ( 0.000 -2.318 0.000) 2.318 8.733 ( 0.000 2.353 0.000) 2.353 8.864 ( 0.000 -1.485 0.000) 1.485 9.320 ( 0.000 5.785 0.000) 5.785 9.524 ( 0.000 5.853 0.000) 5.853 9.538 ( 0.000 -2.384 0.000) 2.384 9.729 ( 0.000 4.091 0.000) 4.091 10.057 ( 0.000 6.248 0.000) 6.248 10.208 ( 0.000 6.201 0.000) 6.201 10.245 ( 0.000 -2.873 0.000) 2.873 10.446 ( 0.000 -0.639 0.000) 0.639 10.489 ( 0.000 0.992 0.000) 0.992 10.649 ( 0.000 11.354 0.000) 11.354 10.662 ( 0.000 -2.000 0.000) 2.000 10.687 ( 0.000 2.744 0.000) 2.744 10.904 ( 0.000 0.599 0.000) 0.599 10.958 ( 0.000 -1.293 0.000) 1.293 10.962 ( 0.000 -2.497 0.000) 2.497 11.033 ( 0.000 -1.479 0.000) 1.479 11.118 ( 0.000 -2.996 0.000) 2.996 11.356 ( 0.000 3.333 0.000) 3.333 11.706 ( 0.000 -16.956 0.000) 16.956 11.901 ( 0.000 -12.362 0.000) 12.362 13.077 ( 0.000 9.221 0.000) 9.221 13.202 ( 0.000 6.873 0.000) 6.873 13.453 ( 0.000 -2.931 0.000) 2.931 13.574 ( 0.000 -2.494 0.000) 2.494 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 6.435 18.648 0.000) 19.727 1.014 ( 5.253 21.880 0.000) 22.502 1.578 ( -11.074 8.073 0.000) 13.704 1.704 ( -11.734 0.851 0.000) 11.764 1.899 ( 7.150 34.712 0.000) 35.441 2.004 ( -0.805 -7.535 0.000) 7.578 2.016 ( 3.914 -6.607 0.000) 7.679 2.143 ( 3.176 1.559 0.000) 3.538 2.195 ( 1.972 -4.395 0.000) 4.817 2.277 ( -1.079 21.212 0.000) 21.239 2.543 ( 7.387 -8.333 0.000) 11.135 2.733 ( 2.821 -8.833 0.000) 9.273 2.800 ( 4.871 12.321 0.000) 13.249 2.923 ( 1.766 4.307 0.000) 4.656 3.039 ( -0.040 7.132 0.000) 7.132 3.043 ( -2.483 -2.338 0.000) 3.410 3.208 ( -1.000 13.383 0.000) 13.420 3.301 ( -1.770 3.400 0.000) 3.833 3.362 ( -1.759 9.437 0.000) 9.600 3.385 ( -5.214 -1.604 0.000) 5.455 3.427 ( -0.606 0.214 0.000) 0.643 3.437 ( -7.309 0.435 0.000) 7.322 3.554 ( -0.888 3.855 0.000) 3.956 3.572 ( 3.129 -6.246 0.000) 6.986 3.797 ( 0.010 -9.331 0.000) 9.331 3.845 ( 5.898 -0.835 0.000) 5.957 3.886 ( 1.165 -5.732 0.000) 5.850 3.936 ( -6.404 10.660 0.000) 12.436 4.035 ( 5.871 3.219 0.000) 6.696 4.186 ( -0.111 1.559 0.000) 1.563 4.207 ( -8.624 5.935 0.000) 10.469 4.331 ( 1.648 -10.699 0.000) 10.826 4.540 ( -0.993 -1.962 0.000) 2.199 4.575 ( 1.911 3.639 0.000) 4.110 4.604 ( 4.631 2.501 0.000) 5.264 4.654 ( -0.898 -8.818 0.000) 8.863 4.654 ( 1.093 -5.307 0.000) 5.418 4.722 ( -1.509 0.987 0.000) 1.803 4.840 ( 2.715 -4.756 0.000) 5.477 5.019 ( -2.291 0.240 0.000) 2.303 5.061 ( -1.173 4.812 0.000) 4.953 5.073 ( -2.002 -7.921 0.000) 8.170 5.253 ( 1.001 3.794 0.000) 3.924 5.404 ( -3.314 -1.438 0.000) 3.612 5.426 ( 0.414 -2.388 0.000) 2.424 5.453 ( 1.396 -0.247 0.000) 1.417 5.562 ( 5.246 -1.817 0.000) 5.552 5.562 ( -0.104 -4.553 0.000) 4.554 5.756 ( 4.345 -6.542 0.000) 7.853 5.775 ( 0.565 -1.939 0.000) 2.020 5.848 ( 4.505 -4.484 0.000) 6.357 6.014 ( -2.572 -2.383 0.000) 3.506 6.235 ( -2.022 -3.688 0.000) 4.206 6.318 ( -4.084 2.225 0.000) 4.651 6.423 ( 1.882 -3.094 0.000) 3.622 6.524 ( 0.193 -6.930 0.000) 6.933 6.768 ( 0.156 -0.030 0.000) 0.159 6.850 ( 0.213 -5.400 0.000) 5.404 6.908 ( -7.698 3.146 0.000) 8.316 7.049 ( -4.302 -2.314 0.000) 4.885 7.368 ( 2.395 4.639 0.000) 5.221 7.552 ( -3.602 10.172 0.000) 10.791 7.594 ( 5.107 -5.459 0.000) 7.476 7.742 ( -0.558 4.100 0.000) 4.137 7.837 ( -0.082 0.655 0.000) 0.660 7.918 ( 2.425 4.930 0.000) 5.494 8.028 ( -0.238 -1.156 0.000) 1.181 8.150 ( 1.456 -3.608 0.000) 3.891 8.277 ( -0.684 -0.393 0.000) 0.789 8.518 ( 7.267 -2.340 0.000) 7.634 8.574 ( -12.629 9.267 0.000) 15.664 8.872 ( -1.215 -3.373 0.000) 3.585 9.298 ( 0.068 7.251 0.000) 7.251 9.499 ( -2.649 6.374 0.000) 6.902 9.633 ( 6.668 -1.476 0.000) 6.830 9.735 ( 0.589 4.163 0.000) 4.205 10.033 ( -2.140 5.916 0.000) 6.291 10.143 ( -6.004 7.777 0.000) 9.825 10.257 ( 1.240 -1.963 0.000) 2.322 10.450 ( -3.249 -2.110 0.000) 3.874 10.505 ( 4.721 1.859 0.000) 5.074 10.631 ( -1.520 -0.437 0.000) 1.581 10.647 ( -0.426 4.990 0.000) 5.008 10.712 ( 2.489 7.444 0.000) 7.849 10.877 ( -1.990 1.828 0.000) 2.702 10.926 ( -4.217 -3.890 0.000) 5.737 10.964 ( 0.262 -1.388 0.000) 1.413 11.003 ( -2.003 -0.864 0.000) 2.181 11.145 ( 2.590 -1.964 0.000) 3.251 11.335 ( -2.260 2.986 0.000) 3.745 11.755 ( 4.770 -17.040 0.000) 17.695 11.939 ( 2.242 -16.399 0.000) 16.551 13.096 ( 1.850 8.463 0.000) 8.662 13.195 ( -0.843 6.871 0.000) 6.922 13.466 ( 1.366 -2.913 0.000) 3.217 13.564 ( -1.075 -2.534 0.000) 2.753 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 10.499 11.344 0.000) 15.457 1.141 ( 7.533 16.635 0.000) 18.261 1.385 ( -8.365 12.025 0.000) 14.648 1.457 ( -13.539 5.508 0.000) 14.616 1.984 ( 0.108 1.993 0.000) 1.996 1.987 ( -0.747 -6.948 0.000) 6.988 2.070 ( 5.775 14.029 0.000) 15.171 2.159 ( -3.480 12.601 0.000) 13.072 2.252 ( 5.226 -0.941 0.000) 5.310 2.301 ( 0.142 2.076 0.000) 2.081 2.710 ( 10.603 -5.870 0.000) 12.120 2.806 ( 4.084 0.270 0.000) 4.093 2.843 ( -0.402 5.229 0.000) 5.244 2.909 ( -7.645 -0.637 0.000) 7.671 3.012 ( 1.705 7.475 0.000) 7.667 3.037 ( -0.394 8.636 0.000) 8.645 3.204 ( 1.419 8.165 0.000) 8.287 3.243 ( -0.381 3.304 0.000) 3.325 3.283 ( -6.425 4.647 0.000) 7.929 3.301 ( -4.590 6.151 0.000) 7.675 3.374 ( 0.658 0.422 0.000) 0.781 3.400 ( -1.722 1.959 0.000) 2.608 3.606 ( 5.193 5.289 0.000) 7.412 3.656 ( 4.054 -3.249 0.000) 5.195 3.762 ( -3.035 2.557 0.000) 3.969 3.838 ( -6.435 3.285 0.000) 7.225 3.861 ( -0.316 -2.285 0.000) 2.307 3.877 ( -1.473 -8.126 0.000) 8.259 4.132 ( 2.965 -0.729 0.000) 3.053 4.173 ( -1.446 2.107 0.000) 2.555 4.177 ( 6.391 3.425 0.000) 7.251 4.299 ( -5.067 -2.842 0.000) 5.810 4.553 ( 2.250 -8.944 0.000) 9.223 4.592 ( -0.742 -9.910 0.000) 9.938 4.629 ( 0.110 -6.090 0.000) 6.091 4.651 ( -1.315 -8.993 0.000) 9.089 4.686 ( 2.696 7.214 0.000) 7.701 4.709 ( -0.180 4.486 0.000) 4.490 4.906 ( 4.052 -3.780 0.000) 5.541 4.973 ( -2.934 -1.107 0.000) 3.136 5.037 ( -0.930 2.409 0.000) 2.582 5.039 ( -1.200 -4.774 0.000) 4.923 5.274 ( 1.639 4.405 0.000) 4.700 5.326 ( -4.004 1.532 0.000) 4.287 5.448 ( 1.488 1.411 0.000) 2.051 5.466 ( -0.241 0.844 0.000) 0.878 5.586 ( 1.938 -4.667 0.000) 5.054 5.613 ( -0.267 -6.319 0.000) 6.324 5.831 ( 3.958 -2.951 0.000) 4.937 5.835 ( 4.942 -0.351 0.000) 4.954 5.926 ( 1.931 -7.608 0.000) 7.849 5.950 ( -3.559 -3.200 0.000) 4.786 6.197 ( -1.452 -2.334 0.000) 2.749 6.222 ( -4.734 2.521 0.000) 5.364 6.466 ( 2.615 -2.852 0.000) 3.869 6.510 ( -1.778 -4.631 0.000) 4.961 6.783 ( 1.141 0.292 0.000) 1.178 6.810 ( -2.646 1.373 0.000) 2.981 6.866 ( 2.191 -6.062 0.000) 6.445 6.945 ( -5.826 -4.715 0.000) 7.496 7.419 ( 3.012 6.046 0.000) 6.755 7.481 ( -3.713 8.087 0.000) 8.899 7.684 ( 3.857 -1.862 0.000) 4.283 7.728 ( -1.170 2.564 0.000) 2.818 7.852 ( 2.016 -1.201 0.000) 2.347 7.908 ( -3.211 -2.870 0.000) 4.307 8.075 ( 5.040 2.389 0.000) 5.578 8.153 ( -2.001 -3.991 0.000) 4.464 8.290 ( 1.937 5.882 0.000) 6.192 8.370 ( -7.885 13.736 0.000) 15.839 8.667 ( 8.261 -2.404 0.000) 8.604 8.803 ( -5.992 -3.260 0.000) 6.821 9.342 ( 4.174 8.228 0.000) 9.227 9.429 ( -4.688 7.547 0.000) 8.884 9.724 ( 2.879 1.440 0.000) 3.219 9.745 ( 0.138 3.739 0.000) 3.741 10.003 ( -0.362 6.193 0.000) 6.203 10.038 ( -4.230 7.898 0.000) 8.960 10.294 ( 2.903 -1.074 0.000) 3.096 10.366 ( -4.713 -0.902 0.000) 4.798 10.607 ( 3.054 1.433 0.000) 3.374 10.633 ( -0.978 1.500 0.000) 1.791 10.649 ( 5.300 -1.413 0.000) 5.485 10.749 ( -0.841 6.254 0.000) 6.310 10.827 ( -3.761 -2.934 0.000) 4.770 10.839 ( -2.100 2.850 0.000) 3.540 10.968 ( 0.323 -1.362 0.000) 1.400 10.978 ( -0.839 -1.113 0.000) 1.394 11.206 ( 3.808 0.048 0.000) 3.809 11.278 ( -3.710 1.881 0.000) 4.160 11.857 ( 5.531 -17.680 0.000) 18.525 11.937 ( -2.593 -18.361 0.000) 18.543 13.136 ( 2.170 7.414 0.000) 7.725 13.172 ( -1.633 6.958 0.000) 7.147 13.499 ( 2.018 -2.804 0.000) 3.455 13.536 ( -1.848 -2.649 0.000) 3.230 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 20.340 0.000) 20.340 1.428 ( 0.000 22.337 0.000) 22.337 1.691 ( 0.000 -14.864 0.000) 14.864 1.827 ( 0.000 -15.622 0.000) 15.622 1.852 ( 0.000 1.967 0.000) 1.967 1.931 ( 0.000 -7.433 0.000) 7.433 1.936 ( 0.000 10.463 0.000) 10.463 2.129 ( 0.000 -7.340 0.000) 7.340 2.240 ( 0.000 5.014 0.000) 5.014 2.361 ( 0.000 -5.881 0.000) 5.881 2.756 ( 0.000 16.483 0.000) 16.483 2.780 ( 0.000 26.950 0.000) 26.950 2.932 ( 0.000 1.479 0.000) 1.479 3.020 ( 0.000 6.017 0.000) 6.017 3.035 ( 0.000 1.307 0.000) 1.307 3.204 ( 0.000 8.826 0.000) 8.826 3.286 ( 0.000 -17.171 0.000) 17.171 3.343 ( 0.000 -0.260 0.000) 0.260 3.374 ( 0.000 -3.964 0.000) 3.964 3.388 ( 0.000 -8.900 0.000) 8.900 3.456 ( 0.000 9.291 0.000) 9.291 3.560 ( 0.000 1.150 0.000) 1.150 3.584 ( 0.000 0.179 0.000) 0.179 3.612 ( 0.000 -7.214 0.000) 7.214 3.630 ( 0.000 13.042 0.000) 13.042 3.697 ( 0.000 0.053 0.000) 0.053 3.772 ( 0.000 -5.893 0.000) 5.893 3.911 ( 0.000 -16.811 0.000) 16.811 4.113 ( 0.000 9.926 0.000) 9.926 4.293 ( 0.000 13.818 0.000) 13.818 4.310 ( 0.000 5.967 0.000) 5.967 4.358 ( 0.000 -14.432 0.000) 14.432 4.518 ( 0.000 -3.835 0.000) 3.835 4.565 ( 0.000 11.122 0.000) 11.122 4.608 ( 0.000 4.515 0.000) 4.515 4.611 ( 0.000 0.706 0.000) 0.706 4.683 ( 0.000 3.706 0.000) 3.706 4.716 ( 0.000 -2.169 0.000) 2.169 4.720 ( 0.000 -5.078 0.000) 5.078 4.778 ( 0.000 -14.885 0.000) 14.885 4.970 ( 0.000 -4.391 0.000) 4.391 5.067 ( 0.000 -11.611 0.000) 11.611 5.362 ( 0.000 11.371 0.000) 11.371 5.410 ( 0.000 0.850 0.000) 0.850 5.436 ( 0.000 5.236 0.000) 5.236 5.445 ( 0.000 0.048 0.000) 0.048 5.483 ( 0.000 -2.890 0.000) 2.890 5.530 ( 0.000 -3.270 0.000) 3.270 5.580 ( 0.000 -0.589 0.000) 0.589 5.717 ( 0.000 -8.834 0.000) 8.834 5.815 ( 0.000 6.937 0.000) 6.937 5.955 ( 0.000 -5.935 0.000) 5.935 6.242 ( 0.000 2.409 0.000) 2.409 6.350 ( 0.000 -7.881 0.000) 7.881 6.351 ( 0.000 0.275 0.000) 0.275 6.376 ( 0.000 -1.026 0.000) 1.026 6.763 ( 0.000 -0.033 0.000) 0.033 6.781 ( 0.000 -1.982 0.000) 1.982 7.066 ( 0.000 0.549 0.000) 0.549 7.066 ( 0.000 0.626 0.000) 0.626 7.408 ( 0.000 2.218 0.000) 2.218 7.449 ( 0.000 -2.618 0.000) 2.618 7.793 ( 0.000 8.740 0.000) 8.740 7.855 ( 0.000 5.857 0.000) 5.857 7.894 ( 0.000 4.978 0.000) 4.978 7.927 ( 0.000 -3.631 0.000) 3.631 7.963 ( 0.000 -4.583 0.000) 4.583 8.023 ( 0.000 -7.007 0.000) 7.007 8.301 ( 0.000 3.162 0.000) 3.162 8.376 ( 0.000 -3.543 0.000) 3.543 8.794 ( 0.000 3.044 0.000) 3.044 8.839 ( 0.000 -1.427 0.000) 1.427 9.416 ( 0.000 3.934 0.000) 3.934 9.484 ( 0.000 -3.021 0.000) 3.021 9.672 ( 0.000 7.543 0.000) 7.543 9.768 ( 0.000 -1.217 0.000) 1.217 10.140 ( 0.000 2.423 0.000) 2.423 10.184 ( 0.000 -2.709 0.000) 2.709 10.320 ( 0.000 4.809 0.000) 4.809 10.400 ( 0.000 -3.246 0.000) 3.246 10.543 ( 0.000 3.411 0.000) 3.411 10.610 ( 0.000 -3.122 0.000) 3.122 10.755 ( 0.000 3.880 0.000) 3.880 10.820 ( 0.000 -0.311 0.000) 0.311 10.917 ( 0.000 0.741 0.000) 0.741 10.935 ( 0.000 -1.027 0.000) 1.027 10.996 ( 0.000 10.979 0.000) 10.979 11.029 ( 0.000 2.339 0.000) 2.339 11.060 ( 0.000 -2.588 0.000) 2.588 11.340 ( 0.000 -18.813 0.000) 18.813 11.466 ( 0.000 7.766 0.000) 7.766 11.660 ( 0.000 -11.317 0.000) 11.317 13.246 ( 0.000 7.522 0.000) 7.522 13.355 ( 0.000 7.818 0.000) 7.818 13.373 ( 0.000 -5.151 0.000) 5.151 13.493 ( 0.000 -5.661 0.000) 5.661 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.955 18.318 0.000) 18.343 1.439 ( 1.035 19.769 0.000) 19.796 1.639 ( -4.356 -8.362 0.000) 9.429 1.705 ( -8.041 -3.492 0.000) 8.766 1.870 ( -1.308 -3.511 0.000) 3.746 1.920 ( -2.632 4.039 0.000) 4.821 1.973 ( 3.311 -12.289 0.000) 12.727 2.083 ( -2.303 -7.703 0.000) 8.039 2.329 ( 6.810 6.848 0.000) 9.657 2.425 ( 7.156 -5.016 0.000) 8.739 2.687 ( -5.320 16.361 0.000) 17.205 2.866 ( 8.107 23.803 0.000) 25.146 2.907 ( -3.520 -5.129 0.000) 6.221 3.051 ( 0.893 6.927 0.000) 6.984 3.095 ( 6.704 6.406 0.000) 9.272 3.193 ( -1.017 8.131 0.000) 8.194 3.292 ( 0.118 -10.687 0.000) 10.688 3.309 ( -4.768 -1.941 0.000) 5.148 3.327 ( -1.836 -3.336 0.000) 3.808 3.368 ( -1.977 -9.222 0.000) 9.432 3.497 ( 4.400 5.215 0.000) 6.824 3.512 ( -3.312 6.676 0.000) 7.452 3.576 ( -2.805 4.026 0.000) 4.907 3.606 ( 2.071 0.077 0.000) 2.072 3.657 ( 1.560 2.975 0.000) 3.359 3.770 ( 1.042 -3.351 0.000) 3.510 3.805 ( 7.620 -3.588 0.000) 8.422 3.926 ( 2.161 -17.680 0.000) 17.811 4.148 ( 2.994 7.615 0.000) 8.182 4.205 ( -6.145 14.058 0.000) 15.342 4.333 ( -6.568 -6.258 0.000) 9.072 4.357 ( 1.455 6.754 0.000) 6.909 4.402 ( -5.492 4.443 0.000) 7.064 4.459 ( -4.831 -6.180 0.000) 7.844 4.568 ( -5.134 -5.137 0.000) 7.263 4.582 ( -6.300 -4.581 0.000) 7.790 4.701 ( 1.766 -0.225 0.000) 1.780 4.721 ( 1.496 0.090 0.000) 1.498 4.756 ( 1.743 -4.475 0.000) 4.803 4.811 ( 1.806 -10.564 0.000) 10.717 5.005 ( 6.312 5.769 0.000) 8.551 5.189 ( 8.731 -9.492 0.000) 12.897 5.327 ( -3.037 11.873 0.000) 12.255 5.405 ( -1.155 1.602 0.000) 1.975 5.430 ( -0.391 4.468 0.000) 4.485 5.444 ( 0.487 -0.927 0.000) 1.047 5.485 ( 0.198 -3.654 0.000) 3.660 5.522 ( -0.958 -3.854 0.000) 3.971 5.650 ( 6.110 -1.356 0.000) 6.258 5.738 ( 2.438 -7.464 0.000) 7.852 5.828 ( 1.156 5.722 0.000) 5.838 5.941 ( -1.744 -4.926 0.000) 5.225 6.231 ( -0.796 3.589 0.000) 3.676 6.339 ( -1.370 1.676 0.000) 2.165 6.360 ( 1.014 -8.435 0.000) 8.495 6.384 ( 0.741 -2.099 0.000) 2.226 6.763 ( 0.139 -0.069 0.000) 0.155 6.779 ( -0.130 -1.954 0.000) 1.958 6.959 ( -7.942 2.465 0.000) 8.316 7.007 ( -6.786 -2.191 0.000) 7.131 7.451 ( 3.925 3.367 0.000) 5.171 7.511 ( 5.563 -3.170 0.000) 6.402 7.740 ( -5.088 8.272 0.000) 9.712 7.832 ( -2.738 3.036 0.000) 4.088 7.896 ( 0.099 5.278 0.000) 5.279 7.904 ( -1.695 -2.243 0.000) 2.811 7.977 ( 1.404 -4.975 0.000) 5.170 8.030 ( 0.485 -7.324 0.000) 7.340 8.346 ( 4.880 5.959 0.000) 7.702 8.454 ( 6.958 -4.298 0.000) 8.178 8.723 ( -6.426 5.747 0.000) 8.621 8.810 ( -3.248 -3.325 0.000) 4.648 9.442 ( 3.430 6.991 0.000) 7.788 9.566 ( 6.766 -5.058 0.000) 8.448 9.657 ( -1.626 8.070 0.000) 8.232 9.767 ( -0.247 -1.967 0.000) 1.983 10.125 ( -0.973 3.934 0.000) 4.053 10.201 ( 1.476 -3.504 0.000) 3.802 10.277 ( -4.259 5.836 0.000) 7.225 10.379 ( -2.645 -4.433 0.000) 5.162 10.558 ( 2.084 2.793 0.000) 3.485 10.607 ( 0.133 -1.917 0.000) 1.922 10.728 ( -2.554 4.065 0.000) 4.801 10.811 ( -1.713 -3.428 0.000) 3.832 10.910 ( -0.582 1.429 0.000) 1.543 10.931 ( -3.704 6.969 0.000) 7.892 10.936 ( 0.091 -1.310 0.000) 1.314 10.992 ( -2.659 -0.591 0.000) 2.723 11.149 ( 6.316 5.120 0.000) 8.131 11.401 ( 5.534 -17.235 0.000) 18.101 11.442 ( -2.592 7.970 0.000) 8.380 11.650 ( -1.309 -12.640 0.000) 12.708 13.259 ( 1.281 7.473 0.000) 7.582 13.346 ( -0.914 7.746 0.000) 7.799 13.386 ( 1.349 -5.195 0.000) 5.368 13.483 ( -1.063 -5.609 0.000) 5.708 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.195 13.050 0.000) 13.708 1.450 ( -1.040 12.704 0.000) 12.747 1.567 ( -2.796 0.307 0.000) 2.813 1.571 ( -4.789 3.214 0.000) 5.768 1.844 ( -0.733 -1.842 0.000) 1.982 1.861 ( -2.608 0.665 0.000) 2.691 2.021 ( 1.908 -13.924 0.000) 14.054 2.051 ( -1.519 -12.077 0.000) 12.172 2.460 ( 7.243 10.681 0.000) 12.905 2.585 ( -5.971 14.231 0.000) 15.432 2.604 ( 10.984 -5.307 0.000) 12.199 2.794 ( -8.743 -7.412 0.000) 11.462 3.017 ( 6.228 18.266 0.000) 19.298 3.061 ( 0.146 12.559 0.000) 12.560 3.180 ( 0.281 6.103 0.000) 6.110 3.195 ( 1.669 6.901 0.000) 7.100 3.254 ( 0.566 -3.585 0.000) 3.629 3.277 ( -1.403 -2.118 0.000) 2.541 3.291 ( -1.522 -3.657 0.000) 3.961 3.322 ( -2.960 -7.215 0.000) 7.799 3.477 ( 0.214 8.721 0.000) 8.724 3.514 ( -3.130 6.100 0.000) 6.857 3.602 ( 4.742 -5.963 0.000) 7.619 3.635 ( 0.385 -5.648 0.000) 5.661 3.694 ( 3.674 7.935 0.000) 8.744 3.770 ( -1.800 4.996 0.000) 5.310 3.948 ( 6.432 -3.544 0.000) 7.344 3.995 ( 3.876 -17.284 0.000) 17.713 4.087 ( -5.409 16.208 0.000) 17.087 4.119 ( -6.551 6.860 0.000) 9.486 4.248 ( 2.735 1.537 0.000) 3.137 4.326 ( -4.736 3.468 0.000) 5.870 4.391 ( 0.733 -6.385 0.000) 6.427 4.402 ( -0.672 -8.720 0.000) 8.746 4.461 ( -4.507 -10.387 0.000) 11.323 4.467 ( -4.396 -6.914 0.000) 8.194 4.733 ( 1.361 0.592 0.000) 1.484 4.743 ( 0.407 1.130 0.000) 1.201 4.792 ( 2.135 -5.541 0.000) 5.938 4.822 ( -0.710 -7.540 0.000) 7.573 5.142 ( 7.236 10.953 0.000) 13.127 5.255 ( -4.910 12.169 0.000) 13.122 5.325 ( 5.111 -3.511 0.000) 6.201 5.379 ( -1.618 2.499 0.000) 2.977 5.433 ( 1.098 0.165 0.000) 1.111 5.459 ( 0.335 -1.732 0.000) 1.765 5.476 ( -0.744 -6.351 0.000) 6.395 5.496 ( -1.674 -4.376 0.000) 4.686 5.768 ( 6.007 -1.566 0.000) 6.207 5.804 ( 4.213 -4.567 0.000) 6.213 5.837 ( -0.993 1.119 0.000) 1.496 5.885 ( -4.215 -3.231 0.000) 5.311 6.236 ( 1.917 5.777 0.000) 6.087 6.294 ( -3.434 4.745 0.000) 5.857 6.383 ( 1.174 -7.731 0.000) 7.819 6.394 ( 0.067 -4.625 0.000) 4.625 6.777 ( 1.413 -0.311 0.000) 1.447 6.788 ( 2.083 -1.806 0.000) 2.757 6.831 ( -5.027 1.345 0.000) 5.203 6.872 ( -6.629 -2.762 0.000) 7.181 7.534 ( 5.012 5.232 0.000) 7.245 7.626 ( 6.550 -3.923 0.000) 7.635 7.635 ( -5.786 7.006 0.000) 9.086 7.745 ( -6.074 -3.047 0.000) 6.796 7.891 ( 0.095 3.589 0.000) 3.590 7.895 ( -0.173 5.266 0.000) 5.269 8.007 ( 1.656 -6.303 0.000) 6.517 8.030 ( -0.633 -7.329 0.000) 7.356 8.461 ( 6.928 8.496 0.000) 10.963 8.592 ( -7.219 8.559 0.000) 11.197 8.595 ( 7.717 -4.989 0.000) 9.190 8.724 ( -5.942 -4.965 0.000) 7.743 9.527 ( 4.994 9.406 0.000) 10.650 9.609 ( -3.610 9.212 0.000) 9.894 9.683 ( 5.198 -5.469 0.000) 7.544 9.749 ( -2.023 -3.845 0.000) 4.345 10.126 ( 1.539 6.284 0.000) 6.470 10.187 ( -4.728 6.980 0.000) 8.431 10.239 ( 2.858 -4.506 0.000) 5.336 10.308 ( -4.333 -4.829 0.000) 6.488 10.624 ( 3.065 0.399 0.000) 3.091 10.630 ( 4.082 -0.402 0.000) 4.102 10.673 ( -2.994 2.550 0.000) 3.932 10.735 ( -5.827 -3.574 0.000) 6.836 10.897 ( -0.273 4.934 0.000) 4.942 10.901 ( -0.394 2.636 0.000) 2.665 10.940 ( 0.384 -1.519 0.000) 1.566 10.955 ( -1.348 -1.475 0.000) 1.998 11.268 ( 6.239 7.512 0.000) 9.765 11.372 ( -4.851 8.146 0.000) 9.482 11.512 ( 5.821 -15.871 0.000) 16.905 11.603 ( -3.831 -14.614 0.000) 15.108 13.289 ( 1.837 7.459 0.000) 7.682 13.322 ( -1.618 7.582 0.000) 7.753 13.419 ( 2.013 -5.317 0.000) 5.685 13.455 ( -1.839 -5.475 0.000) 5.776 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 0.000 19.867) 19.867 0.457 ( 0.000 0.000 23.567) 23.567 0.682 ( 0.000 0.000 35.137) 35.137 1.607 ( 0.000 0.000 3.808) 3.808 1.609 ( 0.000 0.000 1.725) 1.725 1.809 ( 0.000 0.000 -5.534) 5.534 2.015 ( 0.000 0.000 1.059) 1.059 2.050 ( 0.000 0.000 4.556) 4.556 2.098 ( 0.000 0.000 2.506) 2.506 2.262 ( 0.000 0.000 1.384) 1.384 2.364 ( 0.000 0.000 -0.320) 0.320 2.705 ( 0.000 0.000 -3.914) 3.914 2.820 ( 0.000 0.000 -6.620) 6.620 2.932 ( 0.000 0.000 4.034) 4.034 3.055 ( 0.000 0.000 -4.460) 4.460 3.080 ( 0.000 0.000 0.017) 0.017 3.161 ( 0.000 0.000 -3.847) 3.847 3.195 ( 0.000 0.000 6.852) 6.852 3.265 ( 0.000 0.000 0.857) 0.857 3.347 ( 0.000 0.000 -1.594) 1.594 3.519 ( 0.000 0.000 -1.419) 1.419 3.568 ( 0.000 0.000 -4.262) 4.262 3.617 ( 0.000 0.000 -1.018) 1.018 3.711 ( 0.000 0.000 1.716) 1.716 3.712 ( 0.000 0.000 0.253) 0.253 3.814 ( 0.000 0.000 -1.761) 1.761 3.905 ( 0.000 0.000 3.782) 3.782 3.963 ( 0.000 0.000 -5.695) 5.695 4.026 ( 0.000 0.000 -2.314) 2.314 4.075 ( 0.000 0.000 -7.394) 7.394 4.096 ( 0.000 0.000 -1.596) 1.596 4.196 ( 0.000 0.000 0.258) 0.258 4.317 ( 0.000 0.000 -1.825) 1.825 4.477 ( 0.000 0.000 -0.042) 0.042 4.652 ( 0.000 0.000 2.760) 2.760 4.661 ( 0.000 0.000 1.348) 1.348 4.765 ( 0.000 0.000 2.366) 2.366 4.857 ( 0.000 0.000 4.179) 4.179 4.894 ( 0.000 0.000 -0.003) 0.003 5.081 ( 0.000 0.000 -7.658) 7.658 5.082 ( 0.000 0.000 -4.016) 4.016 5.224 ( 0.000 0.000 -3.996) 3.996 5.241 ( 0.000 0.000 2.850) 2.850 5.322 ( 0.000 0.000 1.316) 1.316 5.503 ( 0.000 0.000 3.890) 3.890 5.506 ( 0.000 0.000 2.419) 2.419 5.680 ( 0.000 0.000 -0.962) 0.962 5.810 ( 0.000 0.000 -2.911) 2.911 5.842 ( 0.000 0.000 -1.290) 1.290 5.963 ( 0.000 0.000 2.666) 2.666 5.972 ( 0.000 0.000 0.903) 0.903 5.998 ( 0.000 0.000 -6.877) 6.877 6.298 ( 0.000 0.000 5.308) 5.308 6.333 ( 0.000 0.000 1.049) 1.049 6.471 ( 0.000 0.000 0.830) 0.830 6.590 ( 0.000 0.000 -0.991) 0.991 6.614 ( 0.000 0.000 -6.276) 6.276 6.665 ( 0.000 0.000 0.412) 0.412 6.913 ( 0.000 0.000 0.827) 0.827 7.106 ( 0.000 0.000 -1.192) 1.192 7.143 ( 0.000 0.000 -4.197) 4.197 7.227 ( 0.000 0.000 0.371) 0.371 7.538 ( 0.000 0.000 -8.033) 8.033 7.752 ( 0.000 0.000 -7.434) 7.434 7.870 ( 0.000 0.000 5.649) 5.649 7.877 ( 0.000 0.000 -2.097) 2.097 7.938 ( 0.000 0.000 -3.106) 3.106 8.070 ( 0.000 0.000 6.313) 6.313 8.079 ( 0.000 0.000 2.566) 2.566 8.332 ( 0.000 0.000 -5.161) 5.161 8.737 ( 0.000 0.000 0.087) 0.087 9.021 ( 0.000 0.000 -3.168) 3.168 9.165 ( 0.000 0.000 3.929) 3.929 9.529 ( 0.000 0.000 0.920) 0.920 9.589 ( 0.000 0.000 0.339) 0.339 9.603 ( 0.000 0.000 0.085) 0.085 9.803 ( 0.000 0.000 2.134) 2.134 9.804 ( 0.000 0.000 2.663) 2.663 10.034 ( 0.000 0.000 -0.277) 0.277 10.325 ( 0.000 0.000 -1.446) 1.446 10.380 ( 0.000 0.000 -2.113) 2.113 10.408 ( 0.000 0.000 -0.608) 0.608 10.528 ( 0.000 0.000 0.922) 0.922 10.698 ( 0.000 0.000 -0.297) 0.297 10.914 ( 0.000 0.000 2.395) 2.395 11.019 ( 0.000 0.000 2.588) 2.588 11.077 ( 0.000 0.000 3.980) 3.980 11.181 ( 0.000 0.000 -0.925) 0.925 11.212 ( 0.000 0.000 13.719) 13.719 11.293 ( 0.000 0.000 -2.056) 2.056 11.998 ( 0.000 0.000 -6.825) 6.825 12.750 ( 0.000 0.000 -4.220) 4.220 12.947 ( 0.000 0.000 1.843) 1.843 13.061 ( 0.000 0.000 -0.085) 0.085 13.513 ( 0.000 0.000 0.756) 0.756 13.621 ( 0.000 0.000 0.085) 0.085 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 13.890 0.000 15.511) 20.822 0.613 ( 14.577 0.000 17.030) 22.417 0.905 ( 22.002 0.000 22.796) 31.682 1.448 ( -14.236 0.000 4.644) 14.975 1.501 ( -10.853 0.000 3.068) 11.278 1.814 ( -0.925 0.000 -2.708) 2.862 2.024 ( 0.849 0.000 1.064) 1.361 2.089 ( -0.873 0.000 2.314) 2.473 2.162 ( 9.977 0.000 1.647) 10.112 2.302 ( 3.349 0.000 1.828) 3.816 2.417 ( 4.885 0.000 -1.219) 5.035 2.674 ( -2.959 0.000 -3.578) 4.643 2.796 ( -1.935 0.000 -7.854) 8.088 2.972 ( 3.791 0.000 4.018) 5.524 3.049 ( -1.976 0.000 -5.634) 5.970 3.094 ( 1.408 0.000 0.416) 1.468 3.143 ( -1.581 0.000 -3.792) 4.109 3.176 ( -1.436 0.000 5.692) 5.870 3.217 ( -4.960 0.000 -0.960) 5.052 3.298 ( 2.999 0.000 1.433) 3.324 3.428 ( -9.401 0.000 2.977) 9.861 3.463 ( -8.702 0.000 -1.392) 8.813 3.589 ( -6.012 0.000 -0.219) 6.015 3.615 ( -6.858 0.000 -4.715) 8.322 3.741 ( 1.474 0.000 0.221) 1.490 3.884 ( 9.144 0.000 -0.474) 9.156 3.926 ( 0.882 0.000 -0.545) 1.036 4.018 ( 5.937 0.000 -2.813) 6.570 4.066 ( -0.455 0.000 -4.963) 4.984 4.085 ( -1.368 0.000 -1.191) 1.814 4.155 ( 4.454 0.000 3.216) 5.494 4.209 ( 0.812 0.000 -3.441) 3.535 4.322 ( 0.753 0.000 -1.029) 1.275 4.465 ( -1.604 0.000 0.466) 1.670 4.649 ( 0.395 0.000 1.889) 1.930 4.712 ( 5.249 0.000 0.516) 5.274 4.785 ( 3.143 0.000 0.456) 3.176 4.853 ( 0.469 0.000 1.131) 1.225 4.862 ( -3.397 0.000 -0.343) 3.415 5.043 ( -3.740 0.000 -3.275) 4.971 5.120 ( 2.434 0.000 -5.544) 6.055 5.172 ( -0.162 0.000 2.568) 2.573 5.276 ( 3.300 0.000 2.410) 4.086 5.309 ( -4.250 0.000 3.056) 5.235 5.422 ( -2.608 0.000 -1.577) 3.048 5.481 ( -2.302 0.000 3.526) 4.211 5.726 ( -1.401 0.000 -5.567) 5.741 5.825 ( 1.490 0.000 -2.440) 2.859 5.830 ( -3.261 0.000 -4.675) 5.700 5.895 ( 0.751 0.000 4.539) 4.601 5.954 ( -1.818 0.000 0.598) 1.914 6.183 ( 2.248 0.000 4.087) 4.665 6.235 ( 5.257 0.000 -7.226) 8.936 6.341 ( 0.895 0.000 1.216) 1.510 6.452 ( -1.905 0.000 1.135) 2.217 6.592 ( -2.173 0.000 -6.497) 6.851 6.604 ( 1.432 0.000 -0.945) 1.716 6.668 ( 0.160 0.000 0.093) 0.185 7.040 ( 6.907 0.000 -6.601) 9.554 7.128 ( 1.947 0.000 -1.681) 2.572 7.138 ( -0.371 0.000 -3.477) 3.497 7.206 ( -2.014 0.000 0.051) 2.014 7.563 ( 2.563 0.000 -7.426) 7.856 7.758 ( 0.568 0.000 -5.368) 5.398 7.801 ( -5.012 0.000 0.354) 5.024 7.827 ( -3.123 0.000 3.241) 4.501 7.996 ( 3.733 0.000 1.221) 3.928 8.082 ( 0.170 0.000 2.617) 2.623 8.109 ( 2.509 0.000 6.074) 6.572 8.286 ( -4.519 0.000 -3.000) 5.424 8.629 ( -1.741 0.000 3.526) 3.933 8.969 ( -5.660 0.000 -4.195) 7.045 9.181 ( 2.997 0.000 4.263) 5.211 9.487 ( -4.476 0.000 1.229) 4.641 9.590 ( 0.141 0.000 0.329) 0.358 9.602 ( -0.144 0.000 0.127) 0.192 9.803 ( 0.018 0.000 2.188) 2.188 9.804 ( -0.007 0.000 2.600) 2.600 10.257 ( 6.805 0.000 -3.433) 7.622 10.308 ( 3.581 0.000 -5.257) 6.361 10.427 ( 2.257 0.000 -1.328) 2.619 10.471 ( 5.566 0.000 -2.214) 5.990 10.560 ( 4.044 0.000 -0.834) 4.129 10.689 ( -0.996 0.000 -0.215) 1.019 10.862 ( -3.901 0.000 3.427) 5.192 11.003 ( -1.978 0.000 1.736) 2.632 11.067 ( -0.558 0.000 4.477) 4.512 11.153 ( -4.708 0.000 11.972) 12.864 11.191 ( 1.103 0.000 -1.032) 1.510 11.282 ( -1.149 0.000 -1.947) 2.261 12.088 ( 8.276 0.000 -5.589) 9.986 12.653 ( -8.961 0.000 -1.946) 9.170 12.950 ( 1.747 0.000 3.002) 3.473 13.054 ( -0.753 0.000 0.057) 0.755 13.526 ( 1.179 0.000 0.549) 1.300 13.607 ( -1.193 0.000 0.578) 1.326 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 15.374 0.000 12.093) 19.560 0.923 ( 17.774 0.000 10.174) 20.480 1.133 ( -14.390 0.000 8.302) 16.613 1.243 ( -16.246 0.000 5.974) 17.309 1.377 ( 21.365 0.000 9.189) 23.258 1.707 ( -11.935 0.000 2.111) 12.121 2.044 ( 1.302 0.000 1.281) 1.827 2.069 ( -1.284 0.000 1.792) 2.205 2.325 ( 5.896 0.000 0.395) 5.909 2.359 ( 1.784 0.000 1.717) 2.476 2.516 ( 5.328 0.000 -2.481) 5.878 2.606 ( -4.326 0.000 -3.177) 5.367 2.795 ( 3.473 0.000 -10.863) 11.405 2.930 ( -9.328 0.000 -10.946) 14.381 3.049 ( 3.959 0.000 4.404) 5.922 3.104 ( -1.543 0.000 3.787) 4.090 3.143 ( 1.551 0.000 -0.948) 1.818 3.179 ( -1.557 0.000 -1.986) 2.524 3.184 ( 3.806 0.000 1.825) 4.221 3.299 ( -7.655 0.000 0.558) 7.676 3.327 ( 0.652 0.000 4.607) 4.653 3.374 ( 4.395 0.000 0.743) 4.457 3.435 ( -9.322 0.000 1.628) 9.463 3.474 ( -6.076 0.000 -0.001) 6.076 3.824 ( 4.859 0.000 -3.540) 6.012 3.900 ( -3.085 0.000 -2.835) 4.190 4.006 ( 3.190 0.000 -1.357) 3.467 4.048 ( -2.130 0.000 -1.554) 2.637 4.102 ( 4.877 0.000 -3.594) 6.058 4.117 ( 4.107 0.000 3.120) 5.158 4.171 ( -1.645 0.000 6.179) 6.394 4.190 ( -3.300 0.000 -4.942) 5.942 4.358 ( 3.057 0.000 -0.222) 3.065 4.419 ( -3.148 0.000 0.364) 3.169 4.690 ( 3.925 0.000 -0.368) 3.942 4.778 ( -5.098 0.000 -0.858) 5.169 4.832 ( 7.008 0.000 -0.918) 7.068 4.860 ( 3.337 0.000 -2.390) 4.105 4.877 ( 1.198 0.000 -1.546) 1.956 4.953 ( -5.875 0.000 -2.242) 6.289 5.148 ( 2.013 0.000 -3.448) 3.993 5.223 ( -3.091 0.000 -2.031) 3.699 5.231 ( 3.356 0.000 2.763) 4.347 5.340 ( -5.823 0.000 0.712) 5.866 5.348 ( 4.193 0.000 2.397) 4.830 5.423 ( -3.790 0.000 2.860) 4.748 5.714 ( 0.086 0.000 -3.469) 3.470 5.738 ( -3.234 0.000 -3.095) 4.477 5.862 ( 2.433 0.000 -1.388) 2.801 5.911 ( -2.673 0.000 -0.247) 2.684 5.980 ( 5.925 0.000 3.399) 6.831 6.094 ( -6.064 0.000 5.772) 8.372 6.367 ( 1.919 0.000 1.518) 2.447 6.409 ( -2.477 0.000 1.531) 2.912 6.418 ( 8.347 0.000 -10.048) 13.062 6.533 ( -4.410 0.000 -7.712) 8.884 6.636 ( 1.809 0.000 -0.795) 1.976 6.662 ( -0.866 0.000 -0.453) 0.978 7.122 ( 2.681 0.000 -5.282) 5.923 7.138 ( 0.669 0.000 -1.972) 2.083 7.149 ( -0.187 0.000 -3.540) 3.545 7.165 ( -2.095 0.000 -0.712) 2.213 7.626 ( 4.054 0.000 -5.803) 7.078 7.708 ( -4.833 0.000 -3.216) 5.806 7.771 ( 0.777 0.000 -0.426) 0.886 7.789 ( -1.250 0.000 3.636) 3.845 8.052 ( 2.271 0.000 2.510) 3.384 8.079 ( -0.656 0.000 2.705) 2.783 8.151 ( 2.340 0.000 3.339) 4.078 8.206 ( -3.696 0.000 -0.888) 3.801 8.693 ( 6.735 0.000 -1.798) 6.971 8.837 ( -8.065 0.000 -3.509) 8.795 9.265 ( 5.732 0.000 3.492) 6.712 9.381 ( -6.455 0.000 2.335) 6.864 9.594 ( 0.232 0.000 0.291) 0.372 9.598 ( -0.234 0.000 0.216) 0.319 9.803 ( 0.032 0.000 2.311) 2.311 9.804 ( -0.025 0.000 2.462) 2.462 10.295 ( 2.108 0.000 0.351) 2.137 10.341 ( -2.088 0.000 -0.990) 2.311 10.510 ( 5.992 0.000 -2.499) 6.493 10.577 ( 5.424 0.000 -2.347) 5.910 10.596 ( -2.082 0.000 -0.870) 2.257 10.657 ( -2.897 0.000 -1.841) 3.432 10.842 ( 2.850 0.000 2.404) 3.728 10.932 ( -5.420 0.000 1.682) 5.675 11.065 ( 0.366 0.000 5.587) 5.599 11.085 ( -2.146 0.000 8.378) 8.648 11.219 ( 1.809 0.000 -1.313) 2.235 11.254 ( -1.837 0.000 -1.662) 2.478 12.268 ( 10.644 0.000 -3.104) 11.087 12.467 ( -10.645 0.000 -1.627) 10.769 12.994 ( 2.436 0.000 1.326) 2.774 13.032 ( -1.625 0.000 0.459) 1.689 13.552 ( 1.565 0.000 0.573) 1.667 13.582 ( -1.511 0.000 0.587) 1.621 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 17.027 12.515) 21.132 0.603 ( 0.000 16.385 13.972) 21.533 1.177 ( 0.000 36.576 20.110) 41.740 1.638 ( 0.000 3.866 2.604) 4.661 1.799 ( 0.000 -0.224 -3.938) 3.944 1.843 ( 0.000 20.500 1.904) 20.588 2.030 ( 0.000 -1.895 4.309) 4.707 2.059 ( 0.000 3.700 0.988) 3.830 2.127 ( 0.000 0.045 2.435) 2.435 2.227 ( 0.000 -1.242 2.597) 2.879 2.468 ( 0.000 8.911 -1.313) 9.008 2.681 ( 0.000 -10.108 -4.574) 11.095 2.830 ( 0.000 8.280 -3.607) 9.032 2.943 ( 0.000 -3.299 -1.514) 3.630 2.986 ( 0.000 -0.379 2.818) 2.843 2.993 ( 0.000 -8.007 -2.784) 8.477 3.162 ( 0.000 1.396 3.241) 3.529 3.237 ( 0.000 3.851 2.951) 4.851 3.275 ( 0.000 1.711 -5.046) 5.328 3.325 ( 0.000 -5.444 4.234) 6.896 3.413 ( 0.000 4.236 0.625) 4.282 3.537 ( 0.000 -2.867 -4.523) 5.355 3.667 ( 0.000 -3.819 0.079) 3.820 3.671 ( 0.000 1.294 0.120) 1.300 3.775 ( 0.000 2.317 1.074) 2.554 3.803 ( 0.000 -0.161 -3.947) 3.950 3.832 ( 0.000 1.902 5.914) 6.212 3.903 ( 0.000 -5.037 -4.144) 6.523 3.995 ( 0.000 -2.596 -2.085) 3.330 4.117 ( 0.000 2.036 -1.868) 2.763 4.193 ( 0.000 8.006 -6.502) 10.314 4.222 ( 0.000 2.297 0.204) 2.306 4.504 ( 0.000 2.668 0.670) 2.750 4.538 ( 0.000 12.438 -7.847) 14.706 4.584 ( 0.000 -5.161 0.807) 5.223 4.653 ( 0.000 -1.919 4.205) 4.622 4.748 ( 0.000 -2.030 2.924) 3.559 4.848 ( 0.000 -1.618 4.631) 4.905 4.886 ( 0.000 -0.555 -0.761) 0.942 4.993 ( 0.000 -6.468 -0.340) 6.477 5.043 ( 0.000 -3.187 -6.502) 7.241 5.157 ( 0.000 0.040 -1.166) 1.166 5.267 ( 0.000 0.096 1.843) 1.846 5.378 ( 0.000 6.385 3.926) 7.495 5.457 ( 0.000 -2.873 3.130) 4.249 5.464 ( 0.000 -0.755 1.138) 1.366 5.696 ( 0.000 -0.454 -2.275) 2.319 5.760 ( 0.000 -14.225 2.540) 14.450 5.769 ( 0.000 -6.242 -2.349) 6.670 5.861 ( 0.000 -7.865 0.293) 7.871 5.924 ( 0.000 -3.352 3.442) 4.804 6.006 ( 0.000 5.261 -3.430) 6.281 6.251 ( 0.000 4.562 0.609) 4.603 6.365 ( 0.000 -6.706 -0.081) 6.706 6.507 ( 0.000 -6.349 -2.064) 6.676 6.626 ( 0.000 -1.426 -1.461) 2.041 6.693 ( 0.000 3.668 -4.401) 5.729 6.810 ( 0.000 5.330 -12.373) 13.472 6.968 ( 0.000 4.087 1.088) 4.230 7.007 ( 0.000 0.138 -4.817) 4.819 7.260 ( 0.000 3.009 -0.158) 3.013 7.354 ( 0.000 12.518 -3.371) 12.964 7.583 ( 0.000 2.224 -8.974) 9.245 7.674 ( 0.000 -2.424 0.660) 2.512 7.723 ( 0.000 -5.829 -1.204) 5.952 7.834 ( 0.000 -1.311 -1.596) 2.065 8.005 ( 0.000 0.756 -4.388) 4.453 8.172 ( 0.000 7.183 4.638) 8.550 8.291 ( 0.000 -3.899 -6.159) 7.289 8.295 ( 0.000 9.525 -6.164) 11.346 8.719 ( 0.000 -1.361 0.022) 1.362 8.912 ( 0.000 -5.406 -0.482) 5.428 9.203 ( 0.000 3.722 1.753) 4.115 9.494 ( 0.000 -0.607 1.500) 1.618 9.590 ( 0.000 -0.460 1.454) 1.525 9.673 ( 0.000 5.009 1.790) 5.319 9.912 ( 0.000 8.042 1.486) 8.178 10.076 ( 0.000 4.015 -1.324) 4.227 10.146 ( 0.000 15.111 -12.186) 19.412 10.356 ( 0.000 5.192 -5.580) 7.622 10.420 ( 0.000 1.158 -1.232) 1.690 10.434 ( 0.000 5.251 -2.684) 5.897 10.523 ( 0.000 -0.027 1.249) 1.249 10.696 ( 0.000 -0.086 -0.141) 0.165 10.921 ( 0.000 0.620 2.641) 2.713 11.013 ( 0.000 -0.851 2.457) 2.600 11.066 ( 0.000 -1.042 4.131) 4.261 11.154 ( 0.000 -4.659 8.809) 9.965 11.164 ( 0.000 -1.506 -0.450) 1.572 11.325 ( 0.000 2.431 2.060) 3.186 11.890 ( 0.000 -10.444 -6.505) 12.304 12.452 ( 0.000 -22.301 9.482) 24.233 12.954 ( 0.000 5.404 4.735) 7.185 13.096 ( 0.000 3.593 -0.032) 3.593 13.502 ( 0.000 -1.157 0.854) 1.438 13.607 ( 0.000 -0.878 0.442) 0.983 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 10.894 12.080 12.749) 20.667 0.740 ( 12.956 13.301 10.375) 21.270 1.307 ( 12.740 32.082 15.617) 37.887 1.486 ( -13.020 4.447 4.149) 14.370 1.654 ( -12.600 7.816 1.665) 14.920 1.869 ( -0.507 11.101 -0.715) 11.136 2.072 ( 1.257 3.662 1.039) 4.008 2.128 ( 0.131 -0.416 1.628) 1.685 2.136 ( 8.456 -1.978 1.944) 8.899 2.265 ( 3.556 -0.966 2.297) 4.342 2.523 ( 4.975 8.590 -2.521) 10.242 2.690 ( 1.111 -6.079 -5.183) 8.065 2.804 ( -2.351 8.489 -2.838) 9.254 2.960 ( 0.982 -6.230 -2.548) 6.802 2.979 ( -1.314 -8.256 -3.041) 8.896 3.016 ( 3.240 2.594 3.619) 5.507 3.124 ( -4.898 -2.550 1.226) 5.656 3.190 ( -1.087 5.015 -0.855) 5.202 3.263 ( -1.197 3.893 2.695) 4.884 3.335 ( -0.090 -0.440 -1.644) 1.704 3.389 ( -4.967 0.422 -0.103) 4.986 3.483 ( -7.836 0.114 -1.325) 7.948 3.529 ( -2.958 -2.177 1.026) 3.813 3.687 ( -0.212 -1.856 0.895) 2.071 3.716 ( -5.257 6.427 -0.758) 8.337 3.875 ( 2.350 -2.227 -0.020) 3.238 3.919 ( 5.866 -4.540 -2.406) 7.798 3.931 ( 5.761 -1.205 -2.453) 6.376 4.046 ( 2.961 -3.618 0.595) 4.713 4.115 ( -1.238 2.516 -1.878) 3.375 4.148 ( -1.276 1.954 0.522) 2.391 4.275 ( 3.046 5.465 -5.128) 8.090 4.477 ( -2.818 5.509 1.053) 6.276 4.520 ( -1.056 8.221 -4.503) 9.433 4.605 ( 0.956 -3.290 0.067) 3.427 4.694 ( 4.564 -1.984 3.020) 5.821 4.770 ( 2.553 -3.015 0.410) 3.972 4.839 ( -0.359 -1.983 2.385) 3.123 4.861 ( -2.216 0.875 -0.433) 2.422 4.967 ( -2.156 -5.564 -1.292) 6.106 5.077 ( 2.350 -3.765 -4.548) 6.354 5.160 ( 1.072 0.265 -0.120) 1.110 5.252 ( -2.094 -0.836 2.425) 3.312 5.389 ( 0.404 5.481 3.053) 6.287 5.418 ( -2.804 -0.569 -0.916) 3.004 5.491 ( 0.297 -0.614 3.196) 3.268 5.616 ( -1.945 -4.295 -2.273) 5.234 5.744 ( -1.808 -6.183 -0.159) 6.444 5.813 ( 2.361 -6.431 1.473) 7.008 5.901 ( 0.516 -4.657 2.616) 5.366 5.996 ( -1.544 4.653 -3.618) 6.093 6.002 ( 8.307 -9.571 -1.169) 12.727 6.225 ( -2.565 4.109 1.253) 5.003 6.349 ( -1.692 -6.811 0.016) 7.018 6.490 ( -1.095 -3.212 -2.078) 3.979 6.617 ( -1.277 -1.773 -0.590) 2.263 6.684 ( -1.658 6.099 -6.634) 9.163 6.729 ( -3.765 8.270 -4.683) 10.223 6.927 ( 0.877 -7.370 -3.822) 8.348 7.083 ( 0.587 -1.048 -1.944) 2.285 7.261 ( 0.811 4.288 -1.146) 4.512 7.340 ( -1.317 11.259 -2.653) 11.643 7.628 ( 3.693 5.176 -9.092) 11.095 7.675 ( 0.124 -1.810 0.387) 1.855 7.723 ( 0.616 -5.409 -1.344) 5.607 7.881 ( 4.372 -2.477 -0.744) 5.079 7.964 ( -3.972 1.714 -5.552) 7.039 8.177 ( -0.254 8.397 2.262) 8.700 8.251 ( -3.438 -3.533 -3.742) 6.189 8.294 ( -1.735 10.360 1.247) 10.578 8.619 ( -2.268 -0.726 3.438) 4.182 8.916 ( -2.506 -4.041 -3.208) 5.736 9.201 ( 1.373 2.961 2.963) 4.408 9.460 ( -3.650 -0.208 1.582) 3.984 9.618 ( 1.763 1.442 0.030) 2.278 9.670 ( -0.476 5.404 1.020) 5.520 9.903 ( -0.799 7.543 1.841) 7.805 9.944 ( -5.052 10.127 -0.222) 11.320 10.266 ( 2.729 0.211 -1.428) 3.087 10.366 ( 1.825 4.988 -7.036) 8.816 10.453 ( 3.085 2.697 -1.705) 4.438 10.490 ( 4.463 1.619 -2.697) 5.460 10.561 ( 4.053 0.774 -1.181) 4.292 10.691 ( -0.656 0.333 -0.336) 0.808 10.876 ( -3.576 1.279 3.286) 5.022 10.996 ( -2.266 -0.739 1.913) 3.056 11.058 ( -0.621 -1.019 4.493) 4.649 11.099 ( -3.758 -4.559 7.882) 9.851 11.182 ( 1.390 -1.000 0.126) 1.717 11.304 ( -1.942 1.896 0.634) 2.787 11.979 ( 8.005 -10.572 -5.031) 14.183 12.422 ( -3.861 -18.984 4.613) 19.915 12.983 ( 2.563 4.643 3.169) 6.179 13.089 ( -0.735 3.602 0.111) 3.678 13.515 ( 1.224 -1.180 0.757) 1.861 13.598 ( -0.963 -0.792 0.472) 1.334 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 13.697 9.632 9.889) 19.446 1.027 ( 15.837 7.445 8.329) 19.381 1.225 ( -13.101 8.055 6.095) 16.543 1.369 ( -16.410 7.909 4.426) 18.747 1.591 ( 14.594 21.061 8.163) 26.892 1.802 ( -7.275 12.374 2.277) 14.533 2.091 ( 1.095 2.342 1.509) 2.994 2.116 ( -1.293 1.312 1.353) 2.285 2.276 ( 5.351 -3.200 -0.347) 6.245 2.318 ( 0.883 -2.280 1.197) 2.723 2.626 ( 5.971 8.376 -3.667) 10.921 2.711 ( -1.489 6.780 -3.987) 8.006 2.780 ( 2.792 2.620 -5.306) 6.544 2.900 ( -7.077 -1.848 -7.362) 10.377 2.988 ( 1.536 -8.726 -0.813) 8.897 3.032 ( -3.485 -6.773 -0.815) 7.661 3.102 ( 4.984 1.976 3.338) 6.315 3.172 ( -1.824 3.844 3.249) 5.354 3.243 ( -0.403 2.779 1.945) 3.416 3.267 ( -2.553 -1.785 1.115) 3.309 3.345 ( -2.818 1.120 0.032) 3.033 3.374 ( -3.717 0.077 -1.531) 4.020 3.494 ( 2.359 6.066 2.039) 6.820 3.589 ( -6.524 7.938 0.092) 10.275 3.755 ( 4.643 -5.020 -1.525) 7.006 3.839 ( -4.048 -4.381 -1.936) 6.271 4.012 ( 4.031 -6.523 0.095) 7.669 4.040 ( 1.929 -1.108 -0.048) 2.225 4.069 ( 0.300 -0.638 -0.151) 0.722 4.086 ( -1.052 1.359 -1.937) 2.589 4.177 ( 4.639 1.278 1.552) 5.056 4.277 ( -3.853 3.993 -2.989) 6.303 4.450 ( 1.066 7.192 -0.588) 7.294 4.489 ( -2.268 7.406 -2.676) 8.194 4.657 ( 4.699 -3.599 -1.928) 6.225 4.747 ( -3.487 -4.194 -1.818) 5.749 4.781 ( 2.520 -2.345 2.937) 4.525 4.830 ( -1.587 -4.480 1.744) 5.062 4.887 ( 4.301 1.210 -3.082) 5.428 4.933 ( -1.342 -1.106 -2.866) 3.352 5.108 ( 1.952 -3.958 -1.993) 4.842 5.174 ( -3.438 -4.042 -0.665) 5.348 5.229 ( 3.461 1.066 1.941) 4.109 5.324 ( -5.627 -0.229 0.313) 5.640 5.415 ( 1.769 2.954 2.566) 4.294 5.460 ( -2.754 1.800 2.677) 4.241 5.649 ( 3.232 -3.626 -2.358) 5.400 5.701 ( -2.427 -3.094 -1.313) 4.146 5.864 ( 2.983 -2.610 0.635) 4.014 5.921 ( -1.363 1.111 2.213) 2.826 5.966 ( 2.138 -1.310 -1.185) 2.773 6.051 ( -3.917 -4.299 1.142) 5.926 6.230 ( 4.106 -4.860 -0.093) 6.363 6.304 ( -3.214 -7.037 -0.113) 7.737 6.501 ( 2.428 -0.195 -1.799) 3.029 6.563 ( -3.789 0.035 -1.355) 4.024 6.676 ( 1.115 4.045 -5.831) 7.184 6.701 ( -1.179 3.257 -4.413) 5.610 6.970 ( 3.417 -7.472 -2.683) 8.643 7.041 ( -3.801 -5.085 -1.278) 6.475 7.286 ( 1.483 6.264 -1.661) 6.648 7.313 ( -1.481 8.661 -1.813) 8.972 7.673 ( 0.832 2.879 -6.223) 6.907 7.677 ( 0.059 -0.175 -2.009) 2.018 7.772 ( 4.705 -0.174 -2.297) 5.239 7.872 ( -5.521 3.326 -5.657) 8.576 7.978 ( 5.683 -2.341 0.596) 6.175 8.094 ( -6.796 1.877 -0.145) 7.052 8.236 ( 1.412 3.935 3.825) 5.667 8.265 ( -1.479 6.450 4.001) 7.733 8.682 ( 6.789 -0.990 -1.526) 7.028 8.818 ( -7.122 -1.643 -3.137) 7.954 9.265 ( 5.059 1.424 2.808) 5.958 9.369 ( -5.738 0.593 2.040) 6.118 9.641 ( 0.914 3.781 -0.242) 3.898 9.657 ( -0.825 5.193 0.096) 5.259 9.891 ( -0.355 6.905 2.347) 7.302 9.895 ( -0.996 7.469 2.086) 7.819 10.300 ( 2.212 0.316 0.261) 2.249 10.350 ( -2.737 0.801 -1.053) 3.040 10.536 ( 4.988 2.376 -2.621) 6.115 10.589 ( 4.515 1.081 -2.327) 5.193 10.603 ( -0.164 0.589 -1.905) 2.000 10.665 ( -2.472 0.994 -1.963) 3.309 10.845 ( 1.351 0.526 2.804) 3.157 10.918 ( -5.369 -1.436 2.354) 6.036 11.050 ( -0.117 -1.427 4.968) 5.170 11.057 ( -0.958 -2.563 6.348) 6.913 11.216 ( 2.241 -0.191 -0.325) 2.272 11.261 ( -2.483 0.824 -0.273) 2.631 12.145 ( 9.400 -11.637 -2.204) 15.121 12.309 ( -7.900 -14.344 0.415) 16.381 13.031 ( 2.413 3.952 1.403) 4.839 13.068 ( -1.577 3.684 0.530) 4.042 13.543 ( 1.705 -1.024 0.648) 2.092 13.574 ( -1.572 -0.835 0.544) 1.861 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 20.197 7.008) 21.379 0.997 ( 0.000 21.540 4.628) 22.032 1.752 ( 0.000 7.282 1.081) 7.361 1.808 ( 0.000 1.195 -1.677) 2.059 1.905 ( 0.000 24.052 9.128) 25.726 1.974 ( 0.000 3.533 4.942) 6.075 2.035 ( 0.000 -6.484 2.294) 6.877 2.106 ( 0.000 -2.620 -0.566) 2.680 2.216 ( 0.000 1.350 4.700) 4.890 2.341 ( 0.000 23.888 1.965) 23.968 2.429 ( 0.000 -9.650 -2.882) 10.071 2.643 ( 0.000 -3.470 -4.280) 5.510 2.791 ( 0.000 5.572 3.358) 6.506 2.891 ( 0.000 2.806 -1.663) 3.262 3.068 ( 0.000 1.327 -0.533) 1.430 3.068 ( 0.000 6.117 2.763) 6.712 3.213 ( 0.000 8.584 -0.946) 8.636 3.319 ( 0.000 1.786 -6.376) 6.621 3.327 ( 0.000 4.710 1.159) 4.850 3.372 ( 0.000 7.623 0.232) 7.627 3.456 ( 0.000 -0.539 -0.468) 0.714 3.483 ( 0.000 -2.144 -3.403) 4.023 3.591 ( 0.000 -3.583 -0.275) 3.593 3.634 ( 0.000 -4.424 1.869) 4.802 3.729 ( 0.000 -7.998 -6.098) 10.058 3.736 ( 0.000 -2.455 0.745) 2.566 3.831 ( 0.000 -3.136 -2.916) 4.282 3.951 ( 0.000 -1.414 -2.042) 2.484 4.001 ( 0.000 10.745 -0.815) 10.776 4.179 ( 0.000 4.248 -2.242) 4.803 4.246 ( 0.000 -4.490 -0.945) 4.589 4.305 ( 0.000 6.114 -3.505) 7.047 4.504 ( 0.000 -0.814 -0.826) 1.160 4.571 ( 0.000 2.485 -0.263) 2.499 4.633 ( 0.000 2.610 5.500) 6.088 4.646 ( 0.000 -5.892 -1.380) 6.052 4.695 ( 0.000 -9.741 3.422) 10.325 4.751 ( 0.000 1.245 2.457) 2.754 4.821 ( 0.000 -2.755 1.171) 2.994 4.957 ( 0.000 -5.730 -3.863) 6.911 5.056 ( 0.000 11.320 -0.990) 11.363 5.193 ( 0.000 1.504 -3.652) 3.950 5.225 ( 0.000 -4.806 7.017) 8.505 5.387 ( 0.000 -3.610 -0.962) 3.736 5.438 ( 0.000 -3.850 1.067) 3.995 5.516 ( 0.000 -6.895 4.425) 8.193 5.546 ( 0.000 6.159 3.824) 7.250 5.581 ( 0.000 -5.532 -0.184) 5.535 5.694 ( 0.000 -7.665 0.860) 7.713 5.703 ( 0.000 -1.220 -4.934) 5.082 5.851 ( 0.000 -4.234 1.883) 4.634 6.034 ( 0.000 -1.669 -0.359) 1.707 6.260 ( 0.000 -3.323 0.415) 3.349 6.343 ( 0.000 3.386 -1.448) 3.683 6.384 ( 0.000 -4.839 -1.781) 5.157 6.538 ( 0.000 -7.267 2.052) 7.551 6.725 ( 0.000 -0.144 -4.127) 4.130 6.753 ( 0.000 -4.163 -8.163) 9.163 7.040 ( 0.000 2.745 0.703) 2.833 7.051 ( 0.000 1.461 -3.170) 3.490 7.330 ( 0.000 3.590 -0.912) 3.704 7.505 ( 0.000 -5.756 -3.394) 6.682 7.588 ( 0.000 10.860 -2.091) 11.060 7.697 ( 0.000 4.094 -2.472) 4.782 7.774 ( 0.000 5.442 -8.595) 10.173 7.815 ( 0.000 -0.348 -3.456) 3.474 7.990 ( 0.000 -2.139 -3.372) 3.993 8.167 ( 0.000 -7.263 -2.874) 7.811 8.298 ( 0.000 3.805 3.164) 4.948 8.389 ( 0.000 1.424 -2.466) 2.848 8.713 ( 0.000 1.291 -1.337) 1.859 8.842 ( 0.000 -2.134 -1.727) 2.745 9.302 ( 0.000 5.723 -0.277) 5.729 9.553 ( 0.000 5.995 2.342) 6.436 9.564 ( 0.000 -1.796 2.589) 3.151 9.780 ( 0.000 4.810 3.493) 5.944 10.053 ( 0.000 5.407 -0.239) 5.412 10.182 ( 0.000 6.068 -2.485) 6.557 10.220 ( 0.000 -1.696 -2.418) 2.953 10.430 ( 0.000 -1.322 -2.624) 2.938 10.466 ( 0.000 2.920 -3.143) 4.289 10.560 ( 0.000 5.270 -4.122) 6.691 10.598 ( 0.000 7.391 -3.884) 8.350 10.717 ( 0.000 4.091 -0.063) 4.091 10.930 ( 0.000 -0.057 1.982) 1.982 10.981 ( 0.000 -2.067 1.919) 2.821 11.016 ( 0.000 -5.079 5.609) 7.567 11.073 ( 0.000 -1.649 4.707) 4.988 11.129 ( 0.000 -1.837 1.147) 2.166 11.392 ( 0.000 4.730 3.951) 6.163 11.610 ( 0.000 -16.744 -6.276) 17.881 12.062 ( 0.000 -16.998 9.514) 19.479 13.101 ( 0.000 8.297 2.194) 8.582 13.203 ( 0.000 6.951 0.097) 6.952 13.464 ( 0.000 -2.812 1.072) 3.010 13.577 ( 0.000 -2.519 0.300) 2.537 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 5.229 17.069 5.438) 18.662 1.084 ( 7.156 19.602 6.620) 21.893 1.614 ( -10.285 7.729 3.643) 13.371 1.706 ( -10.308 1.188 0.198) 10.378 1.975 ( 4.395 23.680 6.275) 24.888 2.018 ( 0.622 -0.128 2.038) 2.135 2.044 ( 0.904 -7.232 2.291) 7.640 2.118 ( 3.896 -2.221 -0.436) 4.505 2.251 ( 2.648 -3.504 3.935) 5.897 2.281 ( -3.657 23.218 0.624) 23.512 2.509 ( 7.408 -5.280 -2.922) 9.555 2.695 ( 4.584 -3.480 -2.937) 6.461 2.825 ( 2.155 6.577 1.069) 7.003 2.915 ( 2.983 6.680 -0.393) 7.326 3.042 ( -2.809 1.089 -0.004) 3.013 3.077 ( 0.112 4.192 3.262) 5.313 3.155 ( -3.802 9.170 -5.148) 11.182 3.319 ( -0.398 6.974 0.510) 7.003 3.338 ( -0.773 0.559 -3.032) 3.178 3.354 ( -4.907 1.813 -1.679) 5.494 3.394 ( -2.251 4.519 0.349) 5.061 3.450 ( -3.440 -1.590 -2.439) 4.507 3.554 ( -0.397 -1.546 1.805) 2.410 3.617 ( 0.751 -1.295 2.183) 2.647 3.741 ( 1.240 -9.884 -5.213) 11.243 3.825 ( 2.587 -1.145 -2.906) 4.056 3.891 ( 5.945 -2.828 0.907) 6.646 3.902 ( -4.860 4.801 -2.671) 7.335 4.026 ( 3.838 1.576 -0.742) 4.215 4.172 ( -6.701 1.335 -1.215) 6.940 4.193 ( 0.722 5.003 -1.872) 5.390 4.312 ( 1.265 -3.004 -1.032) 3.418 4.525 ( -0.356 -1.294 -2.117) 2.506 4.567 ( -0.115 -0.642 -1.186) 1.353 4.604 ( -1.837 -1.234 1.609) 2.736 4.653 ( 0.739 -5.837 -0.873) 5.948 4.704 ( 0.694 -4.242 3.878) 5.789 4.760 ( 0.947 2.184 3.502) 4.235 4.833 ( 1.705 -2.353 -0.229) 2.914 4.961 ( -0.317 -5.320 -2.504) 5.888 5.046 ( -0.574 9.686 -0.859) 9.741 5.134 ( -3.447 -4.626 2.012) 6.110 5.261 ( 1.247 2.438 1.344) 3.050 5.387 ( -0.326 -1.911 -0.922) 2.146 5.439 ( -4.173 -2.814 1.106) 5.153 5.470 ( 2.235 -2.335 1.616) 3.614 5.575 ( 1.850 0.600 2.215) 2.948 5.607 ( 0.965 -4.913 2.380) 5.544 5.732 ( 4.684 -1.878 -1.953) 5.411 5.759 ( 4.367 -6.463 -0.732) 7.834 5.868 ( 2.111 -5.507 1.034) 5.988 6.011 ( -2.471 -1.906 -0.221) 3.129 6.239 ( -1.927 -3.361 0.453) 3.900 6.306 ( -3.693 2.403 -1.122) 4.547 6.411 ( 2.419 -2.706 -1.245) 3.837 6.538 ( -0.310 -6.263 1.454) 6.438 6.726 ( -0.022 -0.087 -4.863) 4.864 6.766 ( 1.844 -4.738 -6.098) 7.939 6.889 ( -9.120 3.817 -2.715) 10.253 7.055 ( -4.107 -1.793 -0.280) 4.490 7.351 ( 2.437 4.540 -1.404) 5.341 7.549 ( -3.590 9.548 -1.328) 10.287 7.582 ( 6.395 -5.291 -1.712) 8.475 7.700 ( 0.351 3.910 -2.692) 4.760 7.758 ( -0.510 4.007 -7.734) 8.725 7.875 ( 4.764 1.227 -3.980) 6.327 7.954 ( -3.475 -2.307 -4.978) 6.495 8.146 ( -2.081 -6.714 -4.640) 8.423 8.311 ( 1.591 4.581 4.659) 6.725 8.443 ( 3.390 4.019 -2.659) 5.892 8.625 ( -5.238 2.245 2.117) 6.079 8.843 ( -1.463 -3.139 -2.500) 4.271 9.302 ( 1.104 6.708 0.952) 6.864 9.525 ( -2.951 6.671 2.094) 7.589 9.626 ( 4.963 -0.994 0.361) 5.075 9.779 ( -0.291 4.672 2.615) 5.362 10.037 ( -1.341 5.286 0.587) 5.484 10.113 ( -4.723 6.802 -2.193) 8.566 10.254 ( 1.926 -1.377 -0.620) 2.447 10.420 ( -2.697 -0.983 -3.445) 4.484 10.491 ( 4.344 1.833 -1.359) 4.906 10.562 ( 0.960 4.148 -3.721) 5.654 10.619 ( 1.043 4.388 -2.240) 5.036 10.726 ( 0.467 4.574 -2.032) 5.026 10.904 ( -2.177 0.979 1.885) 3.041 10.966 ( -4.510 -3.481 5.483) 7.907 10.992 ( 0.149 -3.758 3.177) 4.923 11.037 ( -1.896 -1.342 3.009) 3.801 11.158 ( 2.628 -1.095 1.430) 3.186 11.361 ( -2.850 4.265 2.775) 5.832 11.697 ( 7.709 -16.482 -3.665) 18.561 12.045 ( -2.091 -17.537 6.934) 18.974 13.116 ( 1.434 7.868 1.815) 8.201 13.197 ( -0.707 6.939 0.226) 6.979 13.476 ( 1.284 -2.805 0.985) 3.238 13.568 ( -1.009 -2.546 0.369) 2.763 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 10.938 11.259 5.180) 16.530 1.235 ( 8.028 14.251 7.486) 17.989 1.420 ( -9.538 10.432 3.801) 14.637 1.484 ( -12.282 5.879 2.840) 13.910 1.992 ( -0.550 -8.021 0.470) 8.054 2.001 ( -1.593 -5.471 0.745) 5.747 2.103 ( 5.279 18.685 3.486) 19.727 2.180 ( -2.411 12.515 2.421) 12.973 2.253 ( 3.886 2.157 -0.063) 4.445 2.295 ( -0.047 -0.891 0.049) 0.893 2.677 ( 10.209 -1.775 -3.151) 10.830 2.782 ( 3.202 2.473 -2.268) 4.638 2.837 ( -0.622 1.744 -0.891) 2.055 2.912 ( -8.452 -1.512 -0.191) 8.589 2.996 ( 3.305 11.082 -1.223) 11.628 3.052 ( -2.245 12.175 0.081) 12.381 3.163 ( 3.840 4.212 -1.496) 5.892 3.251 ( -4.779 0.804 -1.743) 5.149 3.278 ( -2.600 3.510 1.013) 4.484 3.296 ( -2.700 3.016 -0.991) 4.168 3.386 ( 0.115 3.483 1.287) 3.715 3.398 ( -1.314 2.574 -0.611) 2.954 3.600 ( 4.766 0.475 0.174) 4.793 3.658 ( 1.428 -0.923 -0.461) 1.762 3.746 ( -1.063 -2.099 -1.378) 2.727 3.783 ( -4.240 6.945 -4.057) 9.092 3.869 ( 2.067 -5.135 0.626) 5.571 3.933 ( -3.334 -4.868 4.043) 7.153 4.099 ( 1.825 0.005 -3.741) 4.163 4.113 ( 1.527 -0.253 -2.106) 2.614 4.214 ( 3.260 2.939 0.094) 4.390 4.301 ( -3.477 -1.774 -0.400) 3.924 4.508 ( 0.377 -3.659 -2.254) 4.314 4.547 ( -3.023 -5.848 -3.121) 7.285 4.594 ( 2.126 -2.719 -2.167) 4.076 4.639 ( -2.218 -7.551 -0.520) 7.887 4.749 ( 2.987 0.111 3.765) 4.807 4.775 ( 0.185 1.811 3.596) 4.030 4.881 ( 3.061 -1.811 -1.644) 3.918 4.934 ( -2.380 -2.348 -2.310) 4.064 5.047 ( 0.789 3.411 0.955) 3.630 5.079 ( -2.508 -3.218 2.956) 5.038 5.281 ( 1.615 3.677 0.263) 4.025 5.332 ( -3.795 1.226 0.673) 4.044 5.436 ( 2.058 -0.615 -0.755) 2.277 5.476 ( -1.695 -0.109 0.653) 1.820 5.601 ( 1.648 -2.892 1.445) 3.629 5.624 ( -0.188 -3.705 1.224) 3.906 5.827 ( 4.907 -4.075 -0.939) 6.447 5.860 ( 6.196 -2.301 1.868) 6.868 5.902 ( -0.641 -7.111 -2.007) 7.417 5.952 ( -3.259 -3.257 0.263) 4.615 6.203 ( -1.365 -1.891 0.642) 2.418 6.223 ( -3.928 2.561 0.192) 4.693 6.465 ( 3.186 -2.486 -0.152) 4.044 6.517 ( -2.118 -4.242 0.731) 4.797 6.725 ( 0.270 0.301 -6.308) 6.321 6.759 ( -4.063 2.409 -5.285) 7.088 6.834 ( 5.077 -5.608 -1.812) 7.779 6.947 ( -6.584 -4.330 -0.193) 7.883 7.407 ( 3.349 5.941 -1.206) 6.926 7.475 ( -3.992 7.736 -0.907) 8.752 7.687 ( 3.460 -2.050 -0.108) 4.023 7.707 ( 0.154 3.055 -2.316) 3.837 7.772 ( 2.925 1.167 -7.413) 8.054 7.861 ( -5.294 -2.846 -4.311) 7.396 7.984 ( 5.768 0.212 -6.772) 8.898 8.085 ( -4.628 -3.517 -6.650) 8.832 8.352 ( 2.796 6.555 5.282) 8.871 8.417 ( -4.159 9.069 3.855) 10.696 8.655 ( 6.433 -1.890 -0.945) 6.771 8.775 ( -5.610 -2.739 -2.401) 6.689 9.356 ( 4.433 7.499 1.389) 8.821 9.449 ( -5.048 7.326 1.550) 9.031 9.708 ( 3.639 1.820 -0.715) 4.131 9.760 ( -1.918 3.942 0.437) 4.405 10.021 ( -0.068 5.674 1.736) 5.934 10.042 ( -2.552 6.855 0.763) 7.354 10.294 ( 2.686 -1.285 -0.216) 2.985 10.355 ( -3.771 -0.978 -1.168) 4.067 10.583 ( 3.134 1.794 -2.082) 4.169 10.609 ( 5.326 0.257 -3.244) 6.241 10.619 ( -1.012 1.614 -1.131) 2.215 10.705 ( -3.456 2.592 -4.354) 6.133 10.872 ( -0.857 1.835 2.217) 3.003 10.885 ( -2.743 -0.720 5.029) 5.773 11.000 ( 0.489 -2.682 3.194) 4.199 11.012 ( -0.934 -2.214 3.249) 4.041 11.220 ( 3.933 1.060 1.570) 4.365 11.296 ( -4.029 3.133 1.984) 5.476 11.848 ( 7.918 -16.856 -0.387) 18.627 11.975 ( -5.525 -17.529 2.892) 18.606 13.147 ( 1.781 7.249 1.128) 7.550 13.177 ( -1.379 6.976 0.577) 7.135 13.507 ( 1.902 -2.736 0.781) 3.423 13.542 ( -1.740 -2.626 0.550) 3.198 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 19.458 4.490) 19.969 1.429 ( 0.000 21.032 0.739) 21.045 1.734 ( 0.000 -14.271 4.159) 14.864 1.816 ( 0.000 -13.503 -1.132) 13.551 1.856 ( 0.000 2.186 0.318) 2.209 1.914 ( 0.000 -1.014 0.980) 1.410 1.985 ( 0.000 1.725 2.411) 2.965 2.136 ( 0.000 -7.408 0.422) 7.420 2.266 ( 0.000 3.582 2.851) 4.579 2.360 ( 0.000 -5.147 0.015) 5.147 2.764 ( 0.000 15.613 0.479) 15.620 2.810 ( 0.000 25.979 2.649) 26.113 2.939 ( 0.000 0.991 0.903) 1.341 3.030 ( 0.000 8.024 1.439) 8.152 3.070 ( 0.000 2.771 3.355) 4.351 3.210 ( 0.000 6.271 0.094) 6.271 3.276 ( 0.000 -9.542 -1.238) 9.622 3.305 ( 0.000 -0.099 -2.752) 2.754 3.378 ( 0.000 -6.626 0.632) 6.656 3.384 ( 0.000 -4.961 -1.872) 5.303 3.463 ( 0.000 7.261 -0.074) 7.262 3.514 ( 0.000 -2.022 -4.380) 4.824 3.535 ( 0.000 0.103 -3.732) 3.734 3.593 ( 0.000 3.367 -2.574) 4.239 3.606 ( 0.000 -2.988 -1.584) 3.382 3.688 ( 0.000 -9.987 -7.879) 12.720 3.710 ( 0.000 2.714 0.191) 2.721 3.846 ( 0.000 -8.225 -3.130) 8.800 4.228 ( 0.000 4.733 8.304) 9.558 4.236 ( 0.000 10.636 -4.013) 11.368 4.280 ( 0.000 5.125 -2.591) 5.743 4.390 ( 0.000 -5.517 -0.538) 5.543 4.472 ( 0.000 0.229 -1.132) 1.155 4.517 ( 0.000 1.715 -6.548) 6.769 4.562 ( 0.000 -3.041 -0.866) 3.162 4.616 ( 0.000 0.196 0.172) 0.261 4.655 ( 0.000 -4.420 -2.014) 4.857 4.710 ( 0.000 -4.633 1.976) 5.037 4.819 ( 0.000 1.544 6.892) 7.063 4.850 ( 0.000 -1.744 5.977) 6.226 5.079 ( 0.000 -6.058 8.839) 10.716 5.112 ( 0.000 -6.971 3.855) 7.966 5.296 ( 0.000 6.709 -5.367) 8.591 5.340 ( 0.000 -0.874 -5.212) 5.285 5.423 ( 0.000 6.412 0.041) 6.412 5.492 ( 0.000 -2.096 0.977) 2.312 5.495 ( 0.000 2.390 2.089) 3.175 5.591 ( 0.000 -1.966 1.434) 2.434 5.591 ( 0.000 -1.985 3.615) 4.125 5.682 ( 0.000 -9.010 -2.906) 9.467 5.819 ( 0.000 6.961 0.369) 6.970 5.959 ( 0.000 -5.683 0.423) 5.698 6.248 ( 0.000 2.440 0.573) 2.506 6.346 ( 0.000 0.832 -0.395) 0.921 6.348 ( 0.000 -4.934 -0.375) 4.948 6.387 ( 0.000 -4.236 1.527) 4.503 6.706 ( 0.000 -0.751 -6.931) 6.971 6.710 ( 0.000 -0.860 -4.998) 5.072 7.069 ( 0.000 0.628 -0.932) 1.124 7.073 ( 0.000 0.560 -0.072) 0.565 7.386 ( 0.000 1.947 -1.761) 2.626 7.424 ( 0.000 -2.457 -2.355) 3.404 7.777 ( 0.000 7.155 -4.246) 8.320 7.804 ( 0.000 5.244 -2.529) 5.822 7.831 ( 0.000 0.025 -9.174) 9.174 7.846 ( 0.000 5.059 -4.445) 6.734 7.919 ( 0.000 -4.932 -1.922) 5.294 8.002 ( 0.000 -8.775 -3.830) 9.574 8.352 ( 0.000 2.132 4.252) 4.757 8.387 ( 0.000 -1.192 1.364) 1.811 8.761 ( 0.000 2.816 -2.705) 3.904 8.807 ( 0.000 -1.795 -2.649) 3.200 9.414 ( 0.000 5.262 0.698) 5.308 9.505 ( 0.000 -3.760 2.314) 4.414 9.712 ( 0.000 8.269 3.354) 8.923 9.823 ( 0.000 -1.595 4.186) 4.480 10.127 ( 0.000 2.301 -1.196) 2.593 10.169 ( 0.000 -2.521 -1.477) 2.922 10.294 ( 0.000 4.906 -2.665) 5.583 10.377 ( 0.000 -3.462 -2.641) 4.354 10.526 ( 0.000 3.063 -1.535) 3.426 10.579 ( 0.000 -1.879 -2.317) 2.983 10.738 ( 0.000 6.597 -1.877) 6.859 10.869 ( 0.000 -6.321 0.125) 6.322 10.906 ( 0.000 9.723 -4.107) 10.555 10.945 ( 0.000 -1.260 1.171) 1.720 10.958 ( 0.000 4.151 3.853) 5.664 11.071 ( 0.000 0.795 4.487) 4.557 11.094 ( 0.000 -1.550 3.295) 3.642 11.257 ( 0.000 -17.779 -5.383) 18.576 11.529 ( 0.000 9.235 5.288) 10.642 11.758 ( 0.000 -13.475 7.015) 15.192 13.261 ( 0.000 7.302 1.388) 7.433 13.355 ( 0.000 7.094 0.117) 7.095 13.387 ( 0.000 -4.291 1.357) 4.501 13.496 ( 0.000 -5.650 0.315) 5.659 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.20 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.012 17.667 2.480) 17.840 1.479 ( 3.534 18.769 4.060) 19.526 1.667 ( -4.368 -8.846 2.854) 10.270 1.730 ( -8.621 -0.415 2.151) 8.895 1.876 ( -2.401 -6.100 0.826) 6.607 1.910 ( 2.345 -3.696 -1.274) 4.559 1.961 ( -1.569 -3.257 0.144) 3.619 2.117 ( -1.422 -9.442 2.729) 9.931 2.350 ( 6.579 5.706 1.971) 8.929 2.428 ( 7.371 -3.832 0.290) 8.313 2.689 ( -5.712 15.979 0.090) 16.969 2.882 ( 5.383 18.702 0.974) 19.486 2.900 ( -2.818 -0.099 -0.089) 2.821 3.071 ( 0.092 7.570 1.630) 7.744 3.115 ( 5.456 6.360 1.993) 8.614 3.202 ( 0.166 5.329 0.420) 5.348 3.253 ( -1.758 -2.920 -2.522) 4.240 3.301 ( -3.065 -0.417 -1.098) 3.283 3.334 ( -1.664 -7.990 0.218) 8.164 3.380 ( -0.362 -2.355 -0.866) 2.535 3.461 ( -3.499 -1.169 -1.755) 4.085 3.483 ( 0.848 5.254 -4.243) 6.806 3.526 ( 1.211 -3.422 -3.126) 4.791 3.577 ( -1.214 4.381 -3.142) 5.526 3.660 ( 3.253 2.563 -1.811) 4.520 3.738 ( 3.950 -6.562 -1.995) 7.915 3.803 ( 8.365 -3.303 -0.203) 8.996 3.864 ( 2.841 -8.902 -3.706) 10.052 4.168 ( -5.581 11.623 -2.949) 13.226 4.230 ( -1.588 4.875 5.258) 7.344 4.277 ( -3.895 0.732 -4.370) 5.900 4.339 ( -3.879 7.135 -2.968) 8.646 4.393 ( -0.732 -7.990 2.334) 8.356 4.491 ( -5.545 -4.451 -1.209) 7.212 4.552 ( -4.435 -3.696 -0.511) 5.796 4.576 ( -3.496 -6.075 -0.598) 7.034 4.658 ( 4.495 2.356 0.144) 5.077 4.762 ( 2.572 -6.624 0.634) 7.134 4.816 ( -0.071 -0.250 4.018) 4.027 4.840 ( -1.039 -2.511 5.949) 6.540 5.077 ( 3.276 3.624 5.690) 7.499 5.233 ( 7.691 -8.066 3.931) 11.818 5.285 ( -1.147 8.419 -3.813) 9.313 5.347 ( 0.266 -0.246 -4.460) 4.474 5.400 ( -0.408 3.825 -0.997) 3.974 5.481 ( -1.203 0.538 1.161) 1.756 5.501 ( -0.865 -1.572 1.909) 2.620 5.583 ( -1.022 -3.209 4.182) 5.369 5.643 ( 5.513 -1.487 -0.571) 5.738 5.710 ( 3.037 -7.418 -2.569) 8.417 5.833 ( 1.228 5.470 0.563) 5.634 5.943 ( -1.921 -4.747 0.236) 5.126 6.237 ( -0.625 3.579 0.731) 3.705 6.336 ( -1.031 1.403 -0.229) 1.756 6.361 ( 1.147 -5.119 0.023) 5.246 6.399 ( 0.869 -4.667 1.652) 5.026 6.706 ( 0.198 -0.686 -6.679) 6.717 6.714 ( 0.769 -1.104 -4.564) 4.759 6.955 ( -8.627 3.020 -1.214) 9.220 7.012 ( -6.948 -2.541 -0.343) 7.406 7.431 ( 4.160 3.375 -1.721) 5.626 7.495 ( 6.063 -3.387 -1.569) 7.120 7.725 ( -5.036 7.798 -1.806) 9.457 7.800 ( -0.106 4.951 -4.403) 6.626 7.824 ( -1.252 1.603 -5.113) 5.502 7.876 ( 2.307 -1.295 -6.293) 6.826 7.888 ( -2.299 -2.368 -3.784) 5.021 7.997 ( -0.450 -7.805 -4.264) 8.905 8.391 ( 4.066 3.867 3.775) 6.763 8.454 ( 6.151 -1.990 0.469) 6.482 8.705 ( -5.056 4.575 -1.347) 6.950 8.783 ( -2.821 -3.206 -2.314) 4.857 9.446 ( 3.464 7.136 0.772) 7.970 9.568 ( 5.673 -4.722 0.840) 7.429 9.692 ( -2.249 8.586 2.762) 9.295 9.812 ( -1.281 -2.277 3.303) 4.212 10.119 ( -0.307 3.466 -0.464) 3.510 10.179 ( 0.803 -1.731 -1.904) 2.696 10.264 ( -2.726 4.264 -1.531) 5.288 10.357 ( -2.381 -4.358 -2.385) 5.509 10.542 ( 2.096 2.634 -1.467) 3.672 10.583 ( 0.652 -1.177 -1.892) 2.321 10.714 ( -2.406 5.100 -1.539) 5.845 10.819 ( -5.220 -4.064 -3.555) 7.510 10.900 ( 0.195 5.426 0.381) 5.442 10.941 ( -0.767 2.064 2.821) 3.579 10.952 ( -0.060 -1.128 2.504) 2.747 11.015 ( -3.514 -1.591 2.062) 4.374 11.165 ( 6.279 3.351 2.320) 7.485 11.358 ( 8.002 -14.451 -2.027) 16.642 11.501 ( -2.872 8.401 4.931) 10.156 11.731 ( -2.978 -13.882 5.991) 15.411 13.272 ( 1.139 7.312 1.256) 7.506 13.349 ( -0.744 7.590 0.277) 7.631 13.398 ( 1.181 -4.927 1.195) 5.206 13.487 ( -0.984 -5.597 0.392) 5.696 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.40 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 4.949 12.602 2.461) 13.761 1.510 ( -3.269 10.561 5.369) 12.290 1.588 ( -2.734 4.903 2.208) 6.032 1.607 ( -2.584 -0.758 3.618) 4.510 1.834 ( -0.558 -2.878 -0.989) 3.094 1.867 ( -3.549 2.493 0.536) 4.370 2.014 ( 4.008 -13.815 0.329) 14.389 2.078 ( -2.840 -12.688 2.301) 13.204 2.472 ( 6.458 10.169 1.007) 12.088 2.584 ( -5.694 14.085 -0.064) 15.193 2.604 ( 10.485 -4.562 -0.109) 11.435 2.785 ( -8.423 -6.707 -0.909) 10.806 3.000 ( 4.853 15.789 -1.354) 16.573 3.054 ( -1.554 12.541 -1.030) 12.679 3.177 ( 2.447 3.224 -0.059) 4.048 3.219 ( -1.804 -2.496 -2.692) 4.090 3.248 ( -0.139 5.698 1.734) 5.958 3.253 ( 1.137 0.090 1.106) 1.589 3.297 ( -0.829 1.276 -0.745) 1.695 3.347 ( -3.351 -2.071 0.806) 4.021 3.444 ( 2.051 3.465 -2.668) 4.830 3.494 ( -2.690 2.586 -1.808) 4.146 3.530 ( 2.213 -2.792 -4.781) 5.962 3.563 ( -1.095 -6.461 -5.545) 8.585 3.754 ( 5.909 5.791 3.530) 8.995 3.795 ( 1.975 1.688 0.853) 2.735 3.939 ( 5.283 -4.791 -2.083) 7.430 3.970 ( 6.774 -8.715 -0.730) 11.062 4.052 ( -6.461 12.167 -2.231) 13.956 4.093 ( -7.565 5.877 -2.348) 9.863 4.238 ( -1.031 -3.961 -2.842) 4.983 4.278 ( -4.343 -0.801 -2.157) 4.915 4.408 ( 2.081 -4.537 2.311) 5.501 4.426 ( -1.022 -4.338 -0.012) 4.457 4.466 ( -2.875 -5.103 0.268) 5.863 4.495 ( -4.426 -6.424 2.721) 8.262 4.742 ( 3.780 0.425 1.310) 4.023 4.785 ( -0.398 -1.388 1.967) 2.440 4.814 ( -0.063 -4.438 2.331) 5.013 4.823 ( -0.625 -4.139 2.517) 4.884 5.166 ( 5.186 10.094 2.122) 11.545 5.244 ( -3.104 11.140 -1.059) 11.612 5.339 ( 2.607 -3.626 1.151) 4.612 5.349 ( 0.273 1.372 -2.310) 2.700 5.421 ( 1.666 1.481 -0.830) 2.379 5.455 ( -1.877 -1.819 -0.521) 2.665 5.489 ( 1.590 -5.006 1.873) 5.576 5.546 ( -3.041 -6.327 3.303) 7.758 5.757 ( 5.855 -0.711 -1.103) 6.000 5.783 ( 3.903 -3.307 -2.044) 5.509 5.843 ( -0.586 -0.111 0.544) 0.808 5.884 ( -4.266 -3.522 -0.061) 5.532 6.246 ( 1.955 5.711 1.061) 6.129 6.299 ( -2.950 4.864 0.612) 5.722 6.386 ( 1.487 -6.513 0.465) 6.697 6.406 ( -0.343 -5.568 1.222) 5.711 6.724 ( 2.269 0.615 -5.261) 5.763 6.757 ( 4.187 -2.520 -2.737) 5.601 6.806 ( -6.614 2.668 -2.781) 7.655 6.869 ( -7.526 -3.537 -0.816) 8.356 7.519 ( 5.169 5.225 -1.452) 7.492 7.614 ( 4.836 -2.591 -1.360) 5.652 7.622 ( -3.965 4.969 -1.122) 6.455 7.734 ( -5.945 -3.502 -1.129) 6.992 7.829 ( 1.219 4.299 -5.899) 7.400 7.852 ( -1.246 4.940 -4.484) 6.787 7.932 ( 2.949 -4.846 -6.760) 8.825 7.977 ( -1.767 -6.554 -5.376) 8.659 8.485 ( 5.673 6.306 2.267) 8.779 8.570 ( 2.379 2.263 -0.649) 3.347 8.613 ( -1.262 0.862 0.626) 1.652 8.706 ( -5.365 -4.347 -1.486) 7.063 9.532 ( 5.350 9.077 0.584) 10.552 9.627 ( -4.482 9.178 1.378) 10.306 9.680 ( 5.591 -4.784 -0.047) 7.359 9.768 ( -3.654 -3.734 1.204) 5.361 10.130 ( 1.563 5.534 0.324) 5.760 10.171 ( -2.291 5.778 -1.157) 6.323 10.241 ( 1.484 -3.652 -0.262) 3.951 10.296 ( -3.729 -4.801 -1.346) 6.226 10.605 ( 3.713 0.616 -1.827) 4.184 10.611 ( 3.218 0.007 -1.724) 3.650 10.660 ( -3.118 2.411 -1.339) 4.163 10.710 ( -6.002 -2.155 -3.092) 7.087 10.909 ( 0.704 2.994 1.407) 3.382 10.924 ( -0.910 2.426 2.629) 3.691 10.955 ( 0.379 -1.954 1.789) 2.676 10.970 ( -1.412 -2.029 1.635) 2.964 11.293 ( 6.982 7.203 2.619) 10.368 11.409 ( -5.115 8.427 3.266) 10.385 11.522 ( 7.399 -14.473 1.576) 16.331 11.649 ( -5.824 -14.559 3.755) 16.124 13.299 ( 1.644 7.403 0.946) 7.643 13.328 ( -1.434 7.588 0.597) 7.745 13.428 ( 1.852 -5.269 0.890) 5.656 13.462 ( -1.704 -5.456 0.602) 5.748 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 0.000 17.659) 17.659 0.883 ( 0.000 0.000 21.020) 21.020 1.310 ( 0.000 0.000 30.309) 30.309 1.640 ( 0.000 0.000 0.930) 0.930 1.688 ( 0.000 0.000 -7.281) 7.281 1.706 ( 0.000 0.000 6.415) 6.415 2.049 ( 0.000 0.000 2.573) 2.573 2.149 ( 0.000 0.000 6.237) 6.237 2.167 ( 0.000 0.000 4.665) 4.665 2.299 ( 0.000 0.000 2.573) 2.573 2.344 ( 0.000 0.000 -1.956) 1.956 2.615 ( 0.000 0.000 -5.312) 5.312 2.682 ( 0.000 0.000 -7.290) 7.290 2.943 ( 0.000 0.000 -7.058) 7.058 3.026 ( 0.000 0.000 5.209) 5.209 3.065 ( 0.000 0.000 -6.042) 6.042 3.090 ( 0.000 0.000 1.019) 1.019 3.283 ( 0.000 0.000 -5.557) 5.557 3.296 ( 0.000 0.000 2.637) 2.637 3.343 ( 0.000 0.000 7.796) 7.796 3.383 ( 0.000 0.000 -7.487) 7.487 3.509 ( 0.000 0.000 -1.350) 1.350 3.698 ( 0.000 0.000 -9.968) 9.968 3.716 ( 0.000 0.000 0.160) 0.160 3.717 ( 0.000 0.000 -0.800) 0.800 3.723 ( 0.000 0.000 6.938) 6.938 3.899 ( 0.000 0.000 -0.861) 0.861 3.907 ( 0.000 0.000 -9.348) 9.348 3.952 ( 0.000 0.000 1.344) 1.344 3.974 ( 0.000 0.000 -2.597) 2.597 4.069 ( 0.000 0.000 -1.369) 1.369 4.203 ( 0.000 0.000 -0.004) 0.004 4.261 ( 0.000 0.000 -3.730) 3.730 4.439 ( 0.000 0.000 -3.771) 3.771 4.702 ( 0.000 0.000 2.700) 2.700 4.721 ( 0.000 0.000 4.296) 4.296 4.794 ( 0.000 0.000 -0.208) 0.208 4.884 ( 0.000 0.000 0.238) 0.238 4.956 ( 0.000 0.000 -5.437) 5.437 4.984 ( 0.000 0.000 8.131) 8.131 4.988 ( 0.000 0.000 -5.355) 5.355 5.180 ( 0.000 0.000 -0.035) 0.035 5.295 ( 0.000 0.000 -3.436) 3.436 5.316 ( 0.000 0.000 4.934) 4.934 5.532 ( 0.000 0.000 0.240) 0.240 5.602 ( 0.000 0.000 6.165) 6.165 5.640 ( 0.000 0.000 -3.149) 3.149 5.741 ( 0.000 0.000 -4.310) 4.310 5.775 ( 0.000 0.000 -5.528) 5.528 5.880 ( 0.000 0.000 -4.832) 4.832 5.973 ( 0.000 0.000 -1.071) 1.071 6.028 ( 0.000 0.000 2.076) 2.076 6.363 ( 0.000 0.000 2.042) 2.042 6.391 ( 0.000 0.000 4.368) 4.368 6.492 ( 0.000 0.000 -4.940) 4.940 6.495 ( 0.000 0.000 1.628) 1.628 6.563 ( 0.000 0.000 -1.772) 1.772 6.666 ( 0.000 0.000 -0.559) 0.559 6.927 ( 0.000 0.000 0.700) 0.700 7.074 ( 0.000 0.000 -2.279) 2.279 7.077 ( 0.000 0.000 -1.755) 1.755 7.247 ( 0.000 0.000 2.036) 2.036 7.371 ( 0.000 0.000 -8.827) 8.827 7.613 ( 0.000 0.000 -6.790) 6.790 7.778 ( 0.000 0.000 -8.222) 8.222 7.824 ( 0.000 0.000 -8.251) 8.251 7.989 ( 0.000 0.000 6.227) 6.227 8.136 ( 0.000 0.000 2.671) 2.671 8.180 ( 0.000 0.000 5.010) 5.010 8.268 ( 0.000 0.000 -0.822) 0.822 8.754 ( 0.000 0.000 1.676) 1.676 8.967 ( 0.000 0.000 -2.616) 2.616 9.238 ( 0.000 0.000 3.869) 3.869 9.529 ( 0.000 0.000 -1.251) 1.251 9.597 ( 0.000 0.000 0.463) 0.463 9.606 ( 0.000 0.000 0.164) 0.164 9.856 ( 0.000 0.000 3.266) 3.266 9.867 ( 0.000 0.000 3.634) 3.634 10.044 ( 0.000 0.000 1.670) 1.670 10.292 ( 0.000 0.000 -1.948) 1.948 10.346 ( 0.000 0.000 -1.302) 1.302 10.384 ( 0.000 0.000 -1.795) 1.795 10.553 ( 0.000 0.000 1.625) 1.625 10.683 ( 0.000 0.000 -1.254) 1.254 10.983 ( 0.000 0.000 4.768) 4.768 11.082 ( 0.000 0.000 3.715) 3.715 11.155 ( 0.000 0.000 4.392) 4.392 11.158 ( 0.000 0.000 -1.272) 1.272 11.242 ( 0.000 0.000 -3.192) 3.192 11.539 ( 0.000 0.000 19.056) 19.056 11.821 ( 0.000 0.000 -11.393) 11.393 12.636 ( 0.000 0.000 -7.804) 7.804 12.988 ( 0.000 0.000 2.316) 2.316 13.060 ( 0.000 0.000 0.053) 0.053 13.534 ( 0.000 0.000 1.349) 1.349 13.621 ( 0.000 0.000 -0.176) 0.176 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 10.847 0.000 14.681) 18.253 0.962 ( 8.113 0.000 18.449) 20.155 1.396 ( 8.500 0.000 25.962) 27.318 1.552 ( -10.121 0.000 4.603) 11.119 1.566 ( -7.580 0.000 3.086) 8.184 1.767 ( 2.656 0.000 -0.924) 2.812 2.058 ( 0.962 0.000 2.622) 2.792 2.153 ( -1.422 0.000 4.329) 4.557 2.207 ( 6.011 0.000 2.949) 6.696 2.344 ( 3.779 0.000 2.624) 4.601 2.378 ( 3.265 0.000 -2.941) 4.394 2.588 ( -2.660 0.000 -5.225) 5.863 2.641 ( -3.857 0.000 -7.939) 8.826 2.900 ( -6.532 0.000 -9.232) 11.309 3.061 ( 1.008 0.000 -4.606) 4.715 3.065 ( 3.883 0.000 5.054) 6.373 3.110 ( 2.151 0.000 1.321) 2.525 3.190 ( -5.242 0.000 -1.343) 5.412 3.281 ( -1.533 0.000 4.432) 4.690 3.362 ( 1.810 0.000 5.602) 5.888 3.390 ( -1.920 0.000 -8.003) 8.230 3.438 ( -6.343 0.000 -0.669) 6.379 3.550 ( -7.586 0.000 -2.098) 7.871 3.589 ( -6.490 0.000 0.265) 6.495 3.762 ( -0.628 0.000 1.151) 1.312 3.856 ( 7.182 0.000 -2.404) 7.574 3.901 ( -0.851 0.000 -1.034) 1.339 3.934 ( 2.130 0.000 -7.785) 8.071 3.991 ( 9.914 0.000 0.199) 9.916 4.060 ( -0.866 0.000 -1.491) 1.724 4.167 ( 10.282 0.000 -1.229) 10.355 4.172 ( -2.738 0.000 -1.093) 2.948 4.278 ( 1.925 0.000 -3.111) 3.658 4.440 ( -0.610 0.000 -3.062) 3.122 4.701 ( -2.549 0.000 3.376) 4.230 4.732 ( 3.285 0.000 1.554) 3.634 4.790 ( 0.049 0.000 -0.969) 0.970 4.852 ( -3.705 0.000 -0.036) 3.705 4.859 ( -3.682 0.000 -1.539) 3.991 4.965 ( -2.476 0.000 -4.604) 5.228 5.072 ( 3.527 0.000 1.663) 3.899 5.196 ( 2.130 0.000 1.546) 2.632 5.302 ( -1.585 0.000 -3.352) 3.708 5.343 ( 2.724 0.000 4.466) 5.231 5.435 ( -5.751 0.000 1.990) 6.086 5.565 ( -3.432 0.000 4.691) 5.812 5.636 ( -1.400 0.000 -3.861) 4.107 5.753 ( -1.412 0.000 -3.935) 4.181 5.772 ( 2.772 0.000 -2.800) 3.940 5.934 ( 1.771 0.000 -3.649) 4.056 5.951 ( -2.201 0.000 -1.084) 2.454 6.059 ( 5.492 0.000 -4.224) 6.929 6.321 ( -5.381 0.000 5.131) 7.435 6.374 ( 1.270 0.000 2.265) 2.596 6.465 ( -2.837 0.000 -5.115) 5.849 6.482 ( -1.352 0.000 1.925) 2.352 6.579 ( 1.560 0.000 -1.685) 2.296 6.662 ( -0.434 0.000 -0.846) 0.951 6.982 ( 4.439 0.000 -0.984) 4.547 7.081 ( 0.862 0.000 -1.762) 1.962 7.097 ( 1.325 0.000 -1.664) 2.128 7.216 ( -2.786 0.000 1.307) 3.077 7.407 ( 3.570 0.000 -8.230) 8.971 7.637 ( 2.539 0.000 -6.466) 6.947 7.744 ( -6.687 0.000 -6.335) 9.211 7.778 ( -0.254 0.000 -6.979) 6.983 8.044 ( 4.033 0.000 3.839) 5.568 8.139 ( 0.155 0.000 2.699) 2.704 8.202 ( 1.646 0.000 3.885) 4.219 8.278 ( 0.883 0.000 2.132) 2.308 8.684 ( -4.752 0.000 2.712) 5.472 8.907 ( -5.733 0.000 -2.536) 6.269 9.260 ( 2.583 0.000 3.968) 4.734 9.495 ( -3.429 0.000 -0.538) 3.471 9.598 ( 0.115 0.000 0.450) 0.465 9.605 ( -0.053 0.000 0.213) 0.220 9.857 ( 0.107 0.000 3.296) 3.298 9.866 ( -0.115 0.000 3.594) 3.595 10.188 ( 11.552 0.000 -1.874) 11.703 10.277 ( -0.046 0.000 -0.676) 0.677 10.395 ( 3.000 0.000 -1.734) 3.466 10.432 ( 4.675 0.000 -2.040) 5.101 10.559 ( 1.190 0.000 0.531) 1.303 10.667 ( -1.784 0.000 -1.615) 2.406 10.931 ( -4.641 0.000 3.697) 5.933 11.055 ( -3.107 0.000 3.219) 4.474 11.163 ( 0.914 0.000 5.510) 5.586 11.166 ( 0.810 0.000 -1.453) 1.663 11.233 ( -0.850 0.000 -3.006) 3.124 11.404 ( -9.587 0.000 11.610) 15.057 11.978 ( 12.289 0.000 -4.274) 13.011 12.574 ( -6.329 0.000 -6.132) 8.812 12.999 ( 1.119 0.000 2.249) 2.512 13.057 ( -0.375 0.000 0.269) 0.461 13.544 ( 1.009 0.000 1.192) 1.561 13.613 ( -0.818 0.000 0.092) 0.823 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 12.545 0.000 12.078) 17.414 1.156 ( 12.047 0.000 13.161) 17.842 1.318 ( -12.550 0.000 9.697) 15.860 1.382 ( -11.717 0.000 7.742) 14.043 1.615 ( 11.417 0.000 14.800) 18.692 1.767 ( -3.868 0.000 4.336) 5.810 2.084 ( 1.780 0.000 2.923) 3.422 2.120 ( -2.015 0.000 3.577) 4.106 2.336 ( 6.568 0.000 0.256) 6.573 2.402 ( 0.748 0.000 2.746) 2.846 2.450 ( 4.206 0.000 -4.352) 6.052 2.526 ( -3.881 0.000 -5.034) 6.356 2.590 ( 1.113 0.000 -10.303) 10.363 2.722 ( -10.642 0.000 -10.309) 14.816 3.099 ( 2.287 0.000 -2.965) 3.745 3.133 ( -1.665 0.000 -2.130) 2.704 3.148 ( 4.084 0.000 5.198) 6.611 3.166 ( 3.274 0.000 2.476) 4.104 3.247 ( -1.273 0.000 4.277) 4.462 3.312 ( -6.584 0.000 0.721) 6.623 3.356 ( 0.054 0.000 -2.833) 2.834 3.408 ( 3.070 0.000 3.090) 4.356 3.418 ( -6.130 0.000 -2.797) 6.738 3.481 ( -4.922 0.000 0.923) 5.008 3.800 ( 3.735 0.000 0.730) 3.806 3.867 ( -2.942 0.000 -0.385) 2.967 3.952 ( 2.554 0.000 -4.052) 4.789 3.969 ( 1.059 0.000 -5.823) 5.919 4.057 ( 1.705 0.000 -1.622) 2.353 4.115 ( -3.432 0.000 -2.661) 4.343 4.172 ( 8.588 0.000 2.620) 8.979 4.269 ( -0.411 0.000 3.808) 3.830 4.333 ( 3.781 0.000 -2.248) 4.399 4.402 ( -3.290 0.000 -2.163) 3.937 4.666 ( 0.852 0.000 -2.201) 2.360 4.742 ( -6.231 0.000 -2.815) 6.837 4.813 ( 1.992 0.000 -2.425) 3.138 4.813 ( 4.913 0.000 -0.888) 4.993 4.838 ( -0.503 0.000 -2.305) 2.359 4.901 ( -4.259 0.000 -2.975) 5.195 5.117 ( 2.538 0.000 1.072) 2.755 5.197 ( -5.490 0.000 -0.057) 5.490 5.276 ( 4.097 0.000 1.586) 4.394 5.361 ( -3.969 0.000 1.304) 4.177 5.409 ( 4.186 0.000 3.824) 5.669 5.490 ( -4.427 0.000 3.751) 5.802 5.640 ( 1.836 0.000 -3.352) 3.822 5.693 ( -3.755 0.000 -2.128) 4.317 5.831 ( 3.535 0.000 -1.642) 3.897 5.897 ( -3.437 0.000 -1.199) 3.640 6.004 ( 5.697 0.000 -3.433) 6.651 6.106 ( -3.530 0.000 -7.343) 8.147 6.291 ( 4.109 0.000 0.859) 4.198 6.391 ( -5.109 0.000 -4.710) 6.949 6.407 ( 2.133 0.000 2.570) 3.340 6.448 ( -2.156 0.000 2.435) 3.253 6.614 ( 2.032 0.000 -1.539) 2.549 6.646 ( -1.355 0.000 -1.299) 1.877 7.057 ( 3.420 0.000 -1.734) 3.835 7.101 ( -1.135 0.000 -1.803) 2.130 7.109 ( 2.136 0.000 -0.628) 2.226 7.159 ( -3.150 0.000 0.454) 3.182 7.494 ( 5.704 0.000 -7.554) 9.466 7.613 ( -7.012 0.000 -6.619) 9.643 7.698 ( 3.649 0.000 -5.813) 6.864 7.756 ( -2.276 0.000 -5.779) 6.211 8.106 ( 2.512 0.000 2.986) 3.902 8.136 ( -0.725 0.000 2.779) 2.872 8.232 ( 1.908 0.000 4.844) 5.206 8.272 ( -1.863 0.000 6.356) 6.624 8.670 ( 3.676 0.000 -0.572) 3.720 8.782 ( -7.227 0.000 -2.234) 7.565 9.328 ( 4.413 0.000 2.921) 5.292 9.415 ( -4.817 0.000 1.136) 4.949 9.601 ( 0.166 0.000 0.405) 0.438 9.604 ( -0.128 0.000 0.317) 0.342 9.860 ( 0.183 0.000 3.379) 3.384 9.863 ( -0.188 0.000 3.493) 3.498 10.300 ( 2.221 0.000 0.171) 2.228 10.328 ( 1.072 0.000 -0.051) 1.073 10.463 ( 6.299 0.000 -2.619) 6.822 10.526 ( 4.105 0.000 -3.013) 5.092 10.578 ( -1.076 0.000 -0.578) 1.222 10.618 ( -3.205 0.000 -1.764) 3.658 10.878 ( 1.124 0.000 1.380) 1.780 10.965 ( -6.161 0.000 1.265) 6.290 11.187 ( 1.332 0.000 -1.930) 2.344 11.192 ( 2.368 0.000 7.235) 7.613 11.212 ( -1.357 0.000 -2.523) 2.865 11.261 ( -5.490 0.000 8.754) 10.333 12.209 ( 12.192 0.000 -2.444) 12.434 12.418 ( -10.161 0.000 -3.527) 10.756 13.024 ( 1.357 0.000 1.613) 2.107 13.045 ( -0.929 0.000 0.842) 1.254 13.567 ( 1.421 0.000 0.902) 1.683 13.593 ( -1.311 0.000 0.533) 1.415 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 10.987 14.761) 18.401 0.954 ( 0.000 7.185 20.854) 22.057 1.582 ( 0.000 24.130 20.575) 31.712 1.706 ( 0.000 1.864 -6.114) 6.392 1.714 ( 0.000 2.955 5.272) 6.044 1.871 ( 0.000 18.796 0.271) 18.798 2.093 ( 0.000 3.291 2.725) 4.273 2.127 ( 0.000 -1.845 6.329) 6.592 2.192 ( 0.000 -0.549 4.262) 4.297 2.296 ( 0.000 2.182 4.547) 5.043 2.428 ( 0.000 6.081 -2.807) 6.697 2.581 ( 0.000 -5.993 -5.577) 8.187 2.751 ( 0.000 9.387 -4.741) 10.516 2.877 ( 0.000 -5.074 -4.437) 6.740 2.923 ( 0.000 -7.183 -4.357) 8.401 3.078 ( 0.000 3.797 4.860) 6.168 3.168 ( 0.000 -3.697 -5.987) 7.036 3.187 ( 0.000 4.692 0.819) 4.763 3.289 ( 0.000 -4.615 -1.536) 4.864 3.377 ( 0.000 1.039 4.446) 4.566 3.386 ( 0.000 2.101 -3.199) 3.827 3.488 ( 0.000 -1.790 0.203) 1.801 3.602 ( 0.000 -4.913 -7.432) 8.909 3.694 ( 0.000 -0.337 1.447) 1.486 3.731 ( 0.000 -0.318 -1.390) 1.426 3.782 ( 0.000 1.646 0.813) 1.836 3.859 ( 0.000 -3.575 -1.151) 3.756 3.920 ( 0.000 -0.837 2.844) 2.964 3.942 ( 0.000 -1.289 -3.458) 3.690 4.037 ( 0.000 5.744 -5.361) 7.857 4.107 ( 0.000 5.183 -3.058) 6.017 4.200 ( 0.000 -0.685 -3.158) 3.232 4.410 ( 0.000 12.764 -4.676) 13.594 4.473 ( 0.000 3.059 -3.084) 4.343 4.631 ( 0.000 -4.851 3.549) 6.010 4.736 ( 0.000 -0.348 4.319) 4.333 4.802 ( 0.000 -1.030 1.727) 2.011 4.872 ( 0.000 -1.446 -0.757) 1.633 4.941 ( 0.000 -1.168 -4.202) 4.362 4.943 ( 0.000 -2.298 -3.769) 4.415 4.971 ( 0.000 -1.424 8.079) 8.204 5.152 ( 0.000 -1.403 1.290) 1.906 5.263 ( 0.000 -0.450 -1.992) 2.042 5.439 ( 0.000 8.693 3.162) 9.251 5.490 ( 0.000 -1.304 0.840) 1.551 5.558 ( 0.000 -3.134 6.033) 6.798 5.643 ( 0.000 -0.606 -2.516) 2.588 5.702 ( 0.000 -7.039 -4.869) 8.559 5.739 ( 0.000 -10.000 -2.660) 10.348 5.899 ( 0.000 -6.619 0.755) 6.662 5.922 ( 0.000 9.065 -4.293) 10.030 5.981 ( 0.000 -4.533 1.091) 4.662 6.271 ( 0.000 -1.356 1.673) 2.153 6.365 ( 0.000 -5.825 0.389) 5.838 6.461 ( 0.000 -6.614 -1.837) 6.865 6.533 ( 0.000 4.385 -5.142) 6.758 6.612 ( 0.000 3.419 -3.678) 5.022 6.725 ( 0.000 3.198 0.142) 3.202 6.918 ( 0.000 -5.704 -3.935) 6.930 6.982 ( 0.000 3.613 0.178) 3.618 7.265 ( 0.000 4.921 -0.196) 4.925 7.287 ( 0.000 8.757 -1.548) 8.893 7.408 ( 0.000 2.948 -8.637) 9.127 7.621 ( 0.000 0.960 -5.419) 5.503 7.660 ( 0.000 -6.018 -5.425) 8.102 7.872 ( 0.000 -7.025 4.946) 8.591 7.885 ( 0.000 2.034 -8.435) 8.677 8.139 ( 0.000 -1.931 -4.689) 5.071 8.291 ( 0.000 6.604 2.906) 7.215 8.296 ( 0.000 3.799 4.214) 5.673 8.733 ( 0.000 -1.786 1.518) 2.344 8.896 ( 0.000 -4.978 -1.095) 5.097 9.251 ( 0.000 1.924 3.145) 3.687 9.509 ( 0.000 0.427 -0.304) 0.524 9.619 ( 0.000 1.117 1.377) 1.773 9.686 ( 0.000 6.296 -0.346) 6.306 9.953 ( 0.000 6.591 2.667) 7.110 10.026 ( 0.000 12.702 -1.704) 12.816 10.061 ( 0.000 1.799 0.227) 1.814 10.294 ( 0.000 0.343 -2.712) 2.734 10.390 ( 0.000 4.221 -1.855) 4.610 10.392 ( 0.000 0.866 -1.691) 1.900 10.554 ( 0.000 0.347 1.862) 1.895 10.680 ( 0.000 -0.192 -1.309) 1.323 10.988 ( 0.000 0.240 4.374) 4.381 11.068 ( 0.000 -1.515 3.029) 3.387 11.144 ( 0.000 -1.133 4.085) 4.240 11.156 ( 0.000 -0.004 -0.115) 0.115 11.221 ( 0.000 -1.800 -1.084) 2.102 11.525 ( 0.000 -1.041 16.777) 16.809 11.729 ( 0.000 -8.968 -10.218) 13.595 12.482 ( 0.000 -13.866 -3.676) 14.344 13.026 ( 0.000 4.149 2.828) 5.021 13.096 ( 0.000 3.677 0.079) 3.678 13.525 ( 0.000 -0.941 1.485) 1.758 13.612 ( 0.000 -0.837 0.022) 0.837 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 9.917 9.493 12.548) 18.599 1.023 ( 7.341 6.139 19.148) 21.406 1.586 ( -9.633 4.954 5.274) 12.048 1.642 ( 4.568 19.898 16.439) 26.211 1.678 ( -5.637 5.085 2.069) 7.868 1.860 ( -0.129 14.839 -0.209) 14.841 2.098 ( 1.438 1.554 1.894) 2.840 2.158 ( 0.615 -2.128 2.049) 3.018 2.212 ( 3.039 0.903 5.487) 6.337 2.323 ( 2.656 0.597 3.720) 4.609 2.452 ( 1.918 3.678 -4.573) 6.174 2.586 ( 1.179 0.523 -5.389) 5.541 2.733 ( -1.937 9.921 -4.549) 11.085 2.870 ( -4.024 -2.490 -6.843) 8.320 2.914 ( 1.449 -7.886 -3.179) 8.625 3.079 ( -4.227 -2.074 -2.523) 5.342 3.116 ( 1.613 -0.326 4.806) 5.080 3.203 ( 1.767 4.824 1.306) 5.300 3.299 ( -0.525 -2.933 -3.205) 4.376 3.350 ( -1.753 2.116 4.113) 4.947 3.367 ( -2.775 -2.403 -2.282) 4.322 3.442 ( -4.262 -0.178 -0.459) 4.290 3.527 ( -4.593 1.494 -0.870) 4.907 3.656 ( -3.228 2.303 -4.962) 6.352 3.725 ( -1.086 -2.131 2.760) 3.652 3.855 ( 0.509 -3.812 -0.297) 3.857 3.883 ( 5.262 -0.017 -2.922) 6.018 3.915 ( 4.688 -0.845 1.346) 4.950 4.015 ( 3.593 0.345 -4.953) 6.128 4.061 ( 0.507 0.632 -1.800) 1.974 4.149 ( 2.420 0.104 -1.055) 2.642 4.207 ( 3.102 3.640 -2.889) 5.588 4.408 ( 0.195 9.843 -4.586) 10.860 4.480 ( -0.290 4.190 -1.830) 4.581 4.627 ( -1.289 -4.667 2.051) 5.258 4.737 ( 1.226 -1.420 1.665) 2.508 4.789 ( -2.207 -3.052 0.285) 3.777 4.847 ( -1.682 1.067 -0.226) 2.004 4.878 ( -2.112 1.843 0.168) 2.808 4.914 ( -2.627 -3.679 -3.516) 5.727 5.052 ( 3.815 -2.121 2.905) 5.244 5.171 ( 2.161 -1.297 1.708) 3.045 5.264 ( -1.105 -1.042 -1.300) 1.999 5.403 ( -3.380 1.661 0.412) 3.789 5.471 ( -0.924 4.339 4.514) 6.329 5.574 ( -1.161 -2.768 -2.163) 3.700 5.577 ( -1.341 -0.595 5.130) 5.335 5.696 ( 0.533 -4.874 -3.347) 5.936 5.831 ( 3.151 -8.452 -2.672) 9.408 5.893 ( 0.345 -4.271 -2.044) 4.748 5.918 ( 0.450 7.405 -4.249) 8.549 6.003 ( 2.199 -4.660 -0.220) 5.158 6.257 ( -1.582 -1.896 2.208) 3.312 6.346 ( -1.989 -5.866 0.066) 6.194 6.447 ( -0.417 -1.870 -1.662) 2.537 6.548 ( 0.729 2.750 -4.473) 5.301 6.594 ( -1.706 2.663 -2.504) 4.034 6.679 ( -4.100 2.607 -1.548) 5.099 6.883 ( 1.242 -7.569 -0.634) 7.696 7.052 ( 1.902 -0.416 -1.396) 2.395 7.248 ( -0.616 5.163 -0.745) 5.253 7.281 ( -0.516 9.199 -1.982) 9.424 7.456 ( 3.714 4.432 -8.398) 10.196 7.643 ( 2.478 0.366 -5.021) 5.611 7.655 ( -1.195 -4.626 -4.686) 6.692 7.820 ( -3.292 0.396 -6.100) 6.943 7.930 ( 3.132 -5.874 1.908) 6.924 8.118 ( -2.209 -3.024 -3.779) 5.320 8.293 ( 1.312 5.684 4.491) 7.362 8.351 ( 3.609 5.950 3.495) 7.787 8.671 ( -4.315 -1.107 2.530) 5.124 8.866 ( -3.682 -3.320 -2.036) 5.359 9.263 ( 1.708 1.367 3.412) 4.053 9.477 ( -3.274 0.357 -0.026) 3.293 9.627 ( 0.674 1.921 0.704) 2.154 9.674 ( -1.072 5.862 -0.386) 5.972 9.950 ( -0.227 6.563 2.926) 7.189 9.964 ( -1.814 7.758 2.253) 8.280 10.216 ( 9.517 2.425 -2.911) 10.243 10.287 ( 0.203 1.190 -2.072) 2.398 10.421 ( 2.359 2.529 -1.735) 3.869 10.441 ( 4.493 1.003 -2.333) 5.161 10.561 ( 1.181 0.510 0.722) 1.475 10.666 ( -1.622 -0.063 -1.703) 2.353 10.938 ( -4.345 0.450 3.173) 5.399 11.053 ( -2.716 -0.085 3.519) 4.446 11.135 ( -0.278 -2.020 2.018) 2.869 11.168 ( 0.238 -1.488 1.910) 2.433 11.205 ( -0.612 -1.701 0.017) 1.808 11.404 ( -7.602 0.222 8.478) 11.389 11.888 ( 11.896 -8.636 -2.829) 14.970 12.432 ( -5.238 -12.975 -2.965) 14.303 13.038 ( 1.114 4.035 2.424) 4.837 13.093 ( -0.366 3.674 0.289) 3.703 13.535 ( 1.020 -0.939 1.329) 1.921 13.605 ( -0.766 -0.816 0.193) 1.136 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.112 8.241 11.712) 18.126 1.223 ( 13.475 4.383 12.834) 19.118 1.381 ( -11.674 6.460 9.188) 16.200 1.478 ( -12.954 4.942 6.796) 15.441 1.774 ( 6.502 16.256 9.943) 20.134 1.852 ( -1.763 11.905 2.652) 12.323 2.126 ( 1.217 -0.104 1.778) 2.157 2.148 ( -1.106 -1.166 1.680) 2.325 2.288 ( 4.215 -0.872 1.772) 4.655 2.346 ( -1.410 -2.343 1.522) 3.130 2.523 ( 6.829 3.855 -6.286) 10.050 2.624 ( 1.047 8.107 -4.306) 9.239 2.682 ( -2.797 9.083 -5.484) 10.973 2.740 ( -7.420 4.325 -8.392) 12.008 2.961 ( 2.821 -8.366 -1.614) 8.975 3.011 ( -2.726 -7.549 -0.998) 8.087 3.183 ( 4.664 0.043 3.882) 6.068 3.247 ( 2.621 3.499 1.981) 4.799 3.267 ( -2.915 -2.092 0.887) 3.696 3.298 ( -2.873 -0.494 1.772) 3.412 3.326 ( -1.988 -0.773 -2.499) 3.285 3.349 ( -3.784 2.303 1.410) 4.649 3.503 ( 1.710 4.907 -0.878) 5.270 3.570 ( -4.909 5.666 -2.493) 7.900 3.752 ( 3.374 -4.007 1.375) 5.415 3.820 ( -3.292 -4.091 0.142) 5.253 3.972 ( 3.186 0.213 -3.701) 4.888 3.994 ( 1.210 2.032 -3.597) 4.305 4.068 ( 1.912 -3.463 -0.252) 3.964 4.072 ( 1.216 -0.472 -0.312) 1.341 4.191 ( 3.575 -1.023 -2.070) 4.256 4.250 ( -1.157 2.915 2.034) 3.738 4.427 ( 1.238 6.208 -2.626) 6.853 4.454 ( -1.966 5.377 -0.031) 5.726 4.609 ( 1.957 -5.007 -3.029) 6.171 4.700 ( -6.065 -3.947 -3.149) 7.892 4.800 ( 3.662 -1.493 -2.842) 4.870 4.837 ( -0.416 2.665 -0.887) 2.839 4.857 ( -0.187 1.541 -0.152) 1.559 4.871 ( -1.769 -3.033 -1.594) 3.856 5.105 ( 2.756 -1.250 2.171) 3.725 5.175 ( -4.022 -1.466 1.042) 4.406 5.260 ( 3.620 -0.362 1.251) 3.847 5.337 ( -3.877 -0.411 0.977) 4.020 5.474 ( 1.525 1.058 3.462) 3.928 5.517 ( -2.982 0.573 2.685) 4.054 5.619 ( 3.083 -0.125 -0.244) 3.096 5.673 ( -2.553 -1.304 -1.240) 3.124 5.863 ( 1.164 -2.746 -1.181) 3.208 5.885 ( -1.159 2.658 -3.608) 4.630 5.965 ( 4.204 -2.446 -3.122) 5.780 6.030 ( -1.164 -5.913 -3.883) 7.170 6.241 ( 1.318 -3.196 1.814) 3.904 6.295 ( -3.369 -5.567 -0.181) 6.510 6.466 ( 2.270 1.793 -1.165) 3.118 6.520 ( -3.210 3.998 -2.198) 5.579 6.589 ( 1.221 -1.497 -2.786) 3.391 6.620 ( -2.180 -1.469 -3.297) 4.217 6.945 ( 4.514 -6.399 0.135) 7.832 7.027 ( -3.712 -4.203 -0.140) 5.609 7.256 ( 0.951 7.088 -1.438) 7.295 7.271 ( -0.620 8.713 -1.943) 8.948 7.525 ( 3.925 3.143 -8.094) 9.528 7.602 ( -4.068 -0.381 -5.961) 7.227 7.706 ( 3.710 0.267 -5.026) 6.253 7.766 ( -2.747 0.601 -5.902) 6.538 7.995 ( 3.698 -6.754 1.626) 7.870 8.063 ( -3.537 -5.100 -0.960) 6.280 8.331 ( 2.590 6.412 5.519) 8.848 8.375 ( -1.446 6.853 5.944) 9.186 8.661 ( 3.819 -0.802 -0.599) 3.948 8.767 ( -6.405 -1.315 -2.153) 6.884 9.318 ( 3.965 0.461 2.540) 4.731 9.400 ( -4.670 0.241 1.032) 4.789 9.640 ( 0.714 3.258 0.081) 3.336 9.655 ( -0.911 4.611 -0.222) 4.705 9.947 ( -0.051 6.688 3.338) 7.474 9.949 ( -0.272 6.913 3.380) 7.700 10.302 ( 2.039 -0.168 -0.123) 2.050 10.329 ( 0.573 0.061 -1.009) 1.162 10.482 ( 5.328 1.976 -3.023) 6.437 10.531 ( 3.779 0.395 -3.415) 5.108 10.581 ( -0.319 0.470 -0.465) 0.734 10.621 ( -2.969 0.311 -1.961) 3.572 10.885 ( 0.441 0.742 1.518) 1.746 10.961 ( -6.163 -0.255 1.690) 6.396 11.139 ( 0.533 -3.083 2.116) 3.777 11.153 ( -1.022 -3.928 1.970) 4.511 11.231 ( 2.702 1.684 3.044) 4.405 11.296 ( -4.410 2.261 4.916) 6.981 12.107 ( 11.337 -9.732 -1.301) 14.998 12.297 ( -9.027 -11.275 -1.768) 14.551 13.061 ( 1.294 3.836 1.604) 4.355 13.082 ( -0.887 3.715 0.837) 3.911 13.559 ( 1.462 -0.888 0.987) 1.975 13.585 ( -1.317 -0.823 0.574) 1.656 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 16.365 10.150) 19.257 1.166 ( 0.000 13.749 12.993) 18.917 1.763 ( 0.000 3.722 -3.513) 5.118 1.790 ( 0.000 4.609 2.980) 5.488 2.052 ( 0.000 -3.322 6.380) 7.193 2.080 ( 0.000 -4.886 2.064) 5.304 2.109 ( 0.000 17.337 6.962) 18.683 2.122 ( 0.000 -4.494 1.933) 4.892 2.300 ( 0.000 10.057 2.925) 10.474 2.389 ( 0.000 -3.228 -0.362) 3.248 2.390 ( 0.000 14.121 4.108) 14.707 2.561 ( 0.000 0.424 -3.945) 3.968 2.832 ( 0.000 6.815 0.392) 6.827 2.862 ( 0.000 6.436 -0.871) 6.495 3.030 ( 0.000 9.489 -3.447) 10.095 3.119 ( 0.000 1.580 -0.231) 1.597 3.184 ( 0.000 -1.113 -1.301) 1.712 3.199 ( 0.000 4.878 -4.403) 6.571 3.319 ( 0.000 3.957 -0.831) 4.043 3.371 ( 0.000 -2.596 -8.167) 8.570 3.406 ( 0.000 3.029 -0.988) 3.186 3.459 ( 0.000 -1.006 3.763) 3.895 3.528 ( 0.000 -3.499 -4.109) 5.397 3.662 ( 0.000 -6.529 -1.249) 6.647 3.669 ( 0.000 -3.754 2.349) 4.428 3.735 ( 0.000 -3.891 -0.877) 3.988 3.780 ( 0.000 -4.897 -2.649) 5.568 3.900 ( 0.000 -3.913 -2.949) 4.900 3.991 ( 0.000 6.947 -0.669) 6.979 4.122 ( 0.000 4.651 -2.231) 5.159 4.214 ( 0.000 2.669 -5.400) 6.024 4.235 ( 0.000 5.454 -2.839) 6.148 4.505 ( 0.000 -2.023 0.886) 2.208 4.574 ( 0.000 1.383 1.373) 1.949 4.597 ( 0.000 0.881 -2.891) 3.023 4.708 ( 0.000 -2.306 2.404) 3.331 4.723 ( 0.000 -9.849 -0.567) 9.866 4.830 ( 0.000 6.437 4.374) 7.782 4.896 ( 0.000 -4.266 6.784) 8.014 4.927 ( 0.000 0.305 0.440) 0.535 5.026 ( 0.000 6.752 -2.604) 7.237 5.154 ( 0.000 1.338 0.341) 1.381 5.262 ( 0.000 0.020 -2.010) 2.010 5.444 ( 0.000 -10.656 4.323) 11.500 5.457 ( 0.000 -4.157 0.968) 4.269 5.553 ( 0.000 -3.490 -0.875) 3.598 5.565 ( 0.000 -4.458 0.328) 4.470 5.614 ( 0.000 -0.307 -3.634) 3.647 5.648 ( 0.000 8.794 5.156) 10.195 5.733 ( 0.000 -8.195 2.945) 8.708 5.855 ( 0.000 -8.129 -1.819) 8.330 6.022 ( 0.000 0.343 -0.994) 1.052 6.274 ( 0.000 -3.227 0.713) 3.305 6.305 ( 0.000 3.641 -2.455) 4.392 6.352 ( 0.000 -3.021 -0.462) 3.057 6.556 ( 0.000 -1.132 -3.896) 4.057 6.636 ( 0.000 -9.354 0.822) 9.390 6.638 ( 0.000 -0.718 -4.620) 4.676 6.928 ( 0.000 3.623 -8.900) 9.609 7.030 ( 0.000 1.112 -2.205) 2.469 7.328 ( 0.000 2.822 0.779) 2.928 7.420 ( 0.000 -2.061 -4.471) 4.923 7.496 ( 0.000 9.433 -5.573) 10.957 7.622 ( 0.000 1.934 -7.194) 7.450 7.665 ( 0.000 3.676 -3.809) 5.293 7.774 ( 0.000 -2.438 1.621) 2.927 7.900 ( 0.000 -0.389 -6.461) 6.473 8.048 ( 0.000 -6.401 -6.605) 9.198 8.387 ( 0.000 3.913 4.502) 5.965 8.390 ( 0.000 3.239 2.043) 3.829 8.704 ( 0.000 -0.464 0.559) 0.727 8.815 ( 0.000 -3.089 -1.095) 3.277 9.327 ( 0.000 5.483 2.583) 6.061 9.586 ( 0.000 7.138 0.531) 7.157 9.622 ( 0.000 -1.138 3.255) 3.449 9.816 ( 0.000 5.939 0.055) 5.939 10.056 ( 0.000 3.234 0.680) 3.304 10.131 ( 0.000 5.060 -2.258) 5.541 10.172 ( 0.000 0.549 -2.182) 2.250 10.322 ( 0.000 1.200 -6.348) 6.461 10.430 ( 0.000 3.294 -1.085) 3.468 10.495 ( 0.000 5.196 -2.917) 5.958 10.588 ( 0.000 3.737 1.025) 3.875 10.684 ( 0.000 1.241 -2.291) 2.606 10.970 ( 0.000 -2.502 2.395) 3.464 11.022 ( 0.000 -2.738 2.209) 3.519 11.104 ( 0.000 -2.843 3.533) 4.535 11.162 ( 0.000 0.523 2.323) 2.381 11.196 ( 0.000 -0.236 5.732) 5.737 11.484 ( 0.000 -14.673 -7.088) 16.296 11.525 ( 0.000 1.882 10.359) 10.528 12.164 ( 0.000 -16.432 1.237) 16.479 13.145 ( 0.000 7.239 2.169) 7.557 13.206 ( 0.000 7.056 0.139) 7.057 13.491 ( 0.000 -2.559 1.766) 3.110 13.582 ( 0.000 -2.508 0.101) 2.510 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 4.699 11.270 11.438) 16.731 1.247 ( 6.883 15.586 10.590) 20.061 1.703 ( -6.009 3.820 -0.303) 7.127 1.712 ( -7.800 5.081 5.762) 10.948 2.015 ( -2.357 -6.858 0.120) 7.253 2.070 ( -3.614 -8.955 0.386) 9.665 2.130 ( 2.216 12.323 5.568) 13.702 2.160 ( 5.055 5.169 3.779) 8.158 2.283 ( -2.216 17.788 1.053) 17.956 2.349 ( -1.494 0.971 5.663) 5.937 2.462 ( 6.664 -0.262 -1.258) 6.787 2.644 ( 6.604 3.110 -2.103) 7.597 2.817 ( -0.649 4.482 -1.498) 4.770 2.906 ( 3.010 9.978 -1.209) 10.492 3.024 ( -0.653 11.129 -3.957) 11.829 3.042 ( -7.922 0.641 -4.356) 9.063 3.146 ( 0.406 2.463 3.311) 4.146 3.243 ( 0.150 0.120 -5.718) 5.721 3.294 ( -3.325 -1.842 -3.410) 5.106 3.343 ( -1.289 1.736 -1.307) 2.527 3.383 ( -1.490 3.425 -2.466) 4.476 3.442 ( -1.042 0.168 4.263) 4.392 3.562 ( 0.668 -0.306 -1.707) 1.858 3.629 ( 1.429 -4.110 -1.900) 4.748 3.670 ( 1.290 -4.681 1.084) 4.975 3.771 ( 0.223 -3.454 -2.394) 4.209 3.852 ( 0.447 -1.813 -2.475) 3.100 3.910 ( 6.794 -1.797 1.010) 7.100 4.006 ( 1.461 0.648 -1.866) 2.457 4.118 ( -1.237 4.347 -2.921) 5.382 4.154 ( -2.811 1.350 -2.648) 4.091 4.296 ( 3.287 3.563 -2.568) 5.486 4.486 ( -2.696 -1.340 -0.211) 3.018 4.539 ( -1.641 -0.895 -1.429) 2.353 4.607 ( -1.833 -1.148 -1.024) 2.394 4.668 ( -0.729 -4.930 0.982) 5.080 4.752 ( 1.750 -7.625 0.683) 7.853 4.793 ( -3.292 6.816 1.363) 7.691 4.876 ( 0.348 1.604 3.709) 4.056 4.970 ( -0.650 -2.047 2.976) 3.670 5.020 ( 1.962 5.659 -1.098) 6.089 5.160 ( 0.467 -0.217 1.815) 1.887 5.264 ( -0.182 0.675 -1.532) 1.684 5.400 ( -1.802 -2.504 1.564) 3.459 5.453 ( -4.635 -3.702 0.287) 5.939 5.522 ( 1.599 -4.540 3.526) 5.966 5.589 ( 0.682 -3.486 -1.983) 4.068 5.637 ( 2.220 1.394 1.306) 2.929 5.702 ( 3.777 -1.542 -0.704) 4.140 5.774 ( 4.134 -3.914 2.105) 6.070 5.863 ( 1.134 -8.462 -1.876) 8.741 6.004 ( -1.953 -0.450 -0.752) 2.141 6.250 ( -1.849 -2.128 0.252) 2.830 6.290 ( -2.293 2.840 0.179) 3.655 6.379 ( 3.035 -1.959 -1.977) 4.118 6.553 ( -0.460 -2.254 -2.055) 3.085 6.604 ( -1.411 -2.835 -4.343) 5.374 6.701 ( 4.343 -5.367 -0.674) 6.937 6.797 ( -9.507 3.835 -6.492) 12.134 7.028 ( -2.788 -2.117 -2.616) 4.370 7.331 ( 1.572 3.931 -0.452) 4.257 7.483 ( -1.070 9.413 -4.709) 10.579 7.516 ( 7.064 -1.027 -4.441) 8.407 7.611 ( -0.576 2.156 -6.906) 7.258 7.673 ( 0.236 2.810 -2.127) 3.532 7.782 ( 0.770 -2.407 -3.670) 4.456 7.877 ( -1.752 -1.145 -3.713) 4.263 8.020 ( -2.703 -6.272 -6.436) 9.384 8.404 ( 1.940 4.590 4.355) 6.618 8.445 ( 4.722 3.170 1.990) 6.025 8.657 ( -3.684 0.250 1.684) 4.058 8.801 ( -2.034 -2.975 -1.702) 3.985 9.337 ( 1.439 5.920 2.548) 6.604 9.552 ( -3.500 7.087 0.248) 7.908 9.650 ( 2.562 -0.198 1.840) 3.161 9.798 ( -1.863 5.658 -0.570) 5.985 10.058 ( 0.192 3.578 1.596) 3.923 10.090 ( -1.832 4.812 -0.008) 5.149 10.229 ( 3.250 -1.182 -1.905) 3.948 10.329 ( 0.506 0.881 -5.458) 5.551 10.462 ( 3.437 2.106 -1.452) 4.284 10.503 ( 0.941 4.469 -2.688) 5.299 10.597 ( 0.846 3.313 -0.131) 3.422 10.670 ( -1.548 0.916 -2.739) 3.277 10.936 ( -2.622 -0.747 1.993) 3.378 11.039 ( 0.989 -2.629 2.618) 3.840 11.093 ( -3.420 -1.635 2.408) 4.491 11.099 ( -4.545 -3.328 4.947) 7.497 11.201 ( 2.786 0.595 3.051) 4.174 11.424 ( -3.433 1.794 2.365) 4.538 11.665 ( 10.084 -12.042 1.971) 15.830 12.126 ( -4.124 -16.236 1.145) 16.791 13.154 ( 0.842 7.135 1.931) 7.439 13.202 ( -0.385 7.021 0.323) 7.039 13.501 ( 1.030 -2.578 1.590) 3.200 13.575 ( -0.790 -2.523 0.253) 2.656 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 10.290 5.880 9.953) 15.476 1.396 ( 8.729 14.004 9.171) 18.879 1.526 ( -11.163 2.898 6.371) 13.176 1.565 ( -8.693 10.213 6.271) 14.806 1.982 ( -0.692 -10.123 -1.459) 10.251 2.002 ( -2.826 -10.512 -0.844) 10.918 2.178 ( 2.583 17.818 3.023) 18.256 2.219 ( -1.504 18.256 -1.357) 18.368 2.272 ( 3.762 -0.650 4.928) 6.234 2.330 ( -1.788 -4.160 3.966) 6.020 2.613 ( 9.024 3.148 -2.911) 9.991 2.735 ( -0.178 6.803 -2.223) 7.159 2.806 ( 0.807 1.109 -2.467) 2.823 2.881 ( -6.491 0.639 -2.737) 7.074 2.968 ( 2.278 13.100 -2.224) 13.481 3.006 ( -1.433 13.374 -3.934) 14.014 3.169 ( 1.693 -0.744 0.176) 1.857 3.207 ( -2.543 -1.779 -3.861) 4.954 3.253 ( -0.515 -1.761 -1.937) 2.668 3.287 ( -3.578 0.145 -0.463) 3.610 3.394 ( 1.633 4.400 0.740) 4.751 3.422 ( -1.251 2.720 2.776) 4.082 3.600 ( 3.796 3.108 -1.451) 5.116 3.658 ( 0.726 -4.670 1.743) 5.037 3.682 ( -0.713 3.053 -5.196) 6.068 3.730 ( -3.776 -1.435 -0.929) 4.145 3.903 ( 6.115 -4.226 2.866) 7.967 4.000 ( -1.630 -1.561 2.498) 3.366 4.036 ( 1.753 -1.089 -2.827) 3.501 4.070 ( -1.816 0.919 -1.836) 2.742 4.178 ( 5.248 -0.760 -3.215) 6.201 4.287 ( -4.732 -0.093 -0.777) 4.797 4.453 ( 0.744 -3.540 -4.361) 5.666 4.511 ( -4.671 -4.105 -1.828) 6.482 4.568 ( 3.175 0.944 0.197) 3.318 4.648 ( -3.996 -3.258 1.479) 5.364 4.766 ( 1.856 0.102 -1.629) 2.472 4.786 ( 0.428 -2.196 -1.498) 2.692 4.892 ( 1.182 3.218 2.018) 3.978 4.925 ( -2.577 2.862 0.578) 3.894 5.080 ( 3.513 0.787 3.399) 4.951 5.143 ( -2.784 -1.201 3.833) 4.887 5.278 ( 2.636 1.876 -0.346) 3.254 5.346 ( -4.084 1.320 0.510) 4.322 5.428 ( 1.906 -3.295 0.146) 3.809 5.485 ( -3.660 -2.833 0.132) 4.630 5.638 ( 2.683 -1.470 2.583) 4.004 5.664 ( 0.048 1.620 2.730) 3.175 5.774 ( 4.275 -7.048 -4.606) 9.443 5.829 ( -0.107 -5.971 -4.068) 7.226 5.907 ( 3.401 -4.248 0.723) 5.490 5.960 ( -2.384 -2.003 0.174) 3.119 6.220 ( -0.883 -0.354 1.007) 1.385 6.237 ( -2.637 2.506 1.610) 3.978 6.455 ( 4.952 -0.972 -1.334) 5.220 6.533 ( -2.271 -3.394 0.627) 4.131 6.587 ( -0.170 -0.564 -6.264) 6.292 6.629 ( -6.010 3.703 -7.503) 10.302 6.815 ( 6.470 -6.426 -0.120) 9.120 6.937 ( -6.271 -4.841 -0.736) 7.957 7.380 ( 3.313 5.702 -1.405) 6.743 7.442 ( -3.074 7.856 -2.329) 8.751 7.610 ( 1.291 4.645 -8.013) 9.352 7.621 ( 1.115 2.101 -5.863) 6.327 7.689 ( 3.257 -1.735 -1.518) 3.990 7.764 ( -3.321 -1.195 -5.691) 6.697 7.886 ( 3.063 -4.345 -2.887) 6.049 7.957 ( -3.978 -5.346 -5.571) 8.685 8.451 ( 2.860 5.156 4.734) 7.561 8.496 ( -0.940 5.271 4.177) 6.790 8.641 ( 3.501 -1.152 -0.368) 3.704 8.734 ( -4.987 -2.037 -1.740) 5.661 9.386 ( 3.795 6.438 1.611) 7.645 9.470 ( -4.932 6.820 0.460) 8.429 9.702 ( 2.882 2.036 -0.001) 3.528 9.754 ( -2.725 4.308 -0.851) 5.168 10.064 ( 0.400 4.312 2.630) 5.066 10.071 ( -0.476 4.808 2.197) 5.307 10.279 ( 2.464 -2.160 -1.417) 3.569 10.321 ( -1.659 -1.521 -2.436) 3.317 10.535 ( 3.025 2.628 -2.993) 5.001 10.541 ( 3.350 1.157 -3.459) 4.952 10.602 ( -0.590 1.465 -0.613) 1.694 10.629 ( -2.706 0.481 -2.864) 3.970 10.907 ( 0.410 1.447 1.755) 2.311 10.965 ( -5.542 0.763 2.797) 6.255 11.063 ( 0.953 -3.943 2.600) 4.818 11.080 ( -0.892 -3.461 3.029) 4.684 11.270 ( 4.356 2.603 3.679) 6.268 11.352 ( -4.352 3.916 3.652) 6.900 11.854 ( 9.785 -14.576 1.163) 17.594 12.016 ( -7.553 -15.644 1.050) 17.403 13.173 ( 1.098 6.992 1.385) 7.212 13.191 ( -0.835 6.969 0.790) 7.063 13.526 ( 1.531 -2.586 1.158) 3.221 13.554 ( -1.385 -2.558 0.653) 2.981 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 16.617 4.682) 17.264 1.485 ( 0.000 17.122 6.654) 18.370 1.802 ( 0.000 -9.796 -0.112) 9.797 1.829 ( 0.000 -10.992 4.888) 12.030 1.856 ( 0.000 1.002 -0.210) 1.023 1.953 ( 0.000 -5.554 2.430) 6.062 2.020 ( 0.000 1.499 1.443) 2.081 2.137 ( 0.000 -6.589 -0.435) 6.603 2.349 ( 0.000 1.021 5.878) 5.966 2.376 ( 0.000 -2.128 2.254) 3.100 2.759 ( 0.000 14.209 -1.167) 14.257 2.837 ( 0.000 15.635 -0.855) 15.658 2.978 ( 0.000 6.791 2.619) 7.278 3.073 ( 0.000 10.392 1.455) 10.493 3.135 ( 0.000 5.879 1.906) 6.180 3.175 ( 0.000 2.246 -2.421) 3.303 3.248 ( 0.000 4.202 -2.809) 5.054 3.269 ( 0.000 1.027 0.416) 1.108 3.318 ( 0.000 -2.576 -4.730) 5.386 3.335 ( 0.000 -2.154 -12.315) 12.502 3.405 ( 0.000 -6.500 1.694) 6.717 3.414 ( 0.000 -3.796 -0.386) 3.816 3.518 ( 0.000 3.359 -3.134) 4.594 3.558 ( 0.000 -2.418 -2.734) 3.650 3.564 ( 0.000 -4.094 2.070) 4.588 3.610 ( 0.000 -10.948 -0.686) 10.969 3.688 ( 0.000 0.768 -2.393) 2.513 3.779 ( 0.000 -6.335 -4.400) 7.713 4.170 ( 0.000 9.301 -3.055) 9.789 4.217 ( 0.000 3.551 -2.806) 4.526 4.288 ( 0.000 4.021 -6.613) 7.739 4.353 ( 0.000 6.223 -2.785) 6.817 4.421 ( 0.000 -5.484 2.509) 6.030 4.524 ( 0.000 -9.012 2.657) 9.396 4.558 ( 0.000 -0.589 1.274) 1.404 4.626 ( 0.000 -5.556 0.349) 5.567 4.650 ( 0.000 5.455 2.657) 6.068 4.779 ( 0.000 -6.682 5.514) 8.663 4.950 ( 0.000 2.955 6.147) 6.820 4.961 ( 0.000 1.973 5.257) 5.615 5.160 ( 0.000 0.848 -1.421) 1.655 5.214 ( 0.000 6.077 -0.839) 6.134 5.219 ( 0.000 -8.139 1.748) 8.325 5.259 ( 0.000 -0.719 0.003) 0.719 5.396 ( 0.000 3.595 -2.440) 4.344 5.519 ( 0.000 -1.314 1.041) 1.677 5.543 ( 0.000 -0.170 2.606) 2.612 5.578 ( 0.000 -3.465 -3.065) 4.626 5.620 ( 0.000 -2.293 1.372) 2.672 5.661 ( 0.000 -8.551 -0.915) 8.600 5.843 ( 0.000 8.403 2.789) 8.854 5.973 ( 0.000 -4.619 1.008) 4.727 6.259 ( 0.000 2.467 0.299) 2.485 6.338 ( 0.000 -2.202 -0.457) 2.249 6.352 ( 0.000 2.437 1.851) 3.060 6.440 ( 0.000 -7.354 4.002) 8.372 6.554 ( 0.000 0.876 -8.190) 8.237 6.599 ( 0.000 -2.703 -6.190) 6.754 6.989 ( 0.000 2.462 -7.632) 8.020 7.028 ( 0.000 -1.256 -5.208) 5.358 7.367 ( 0.000 1.052 0.039) 1.053 7.383 ( 0.000 -1.086 -1.183) 1.606 7.636 ( 0.000 3.689 -7.943) 8.758 7.657 ( 0.000 0.653 -8.515) 8.540 7.755 ( 0.000 5.661 -4.561) 7.269 7.793 ( 0.000 4.080 -0.080) 4.080 7.869 ( 0.000 -2.801 -3.823) 4.739 7.902 ( 0.000 -7.950 -5.220) 9.510 8.428 ( 0.000 0.900 2.713) 2.859 8.431 ( 0.000 0.726 3.683) 3.754 8.723 ( 0.000 1.943 -0.945) 2.161 8.765 ( 0.000 -2.157 -1.479) 2.616 9.453 ( 0.000 6.556 3.143) 7.271 9.566 ( 0.000 -4.434 3.939) 5.931 9.760 ( 0.000 8.955 0.975) 9.008 9.877 ( 0.000 -1.246 0.892) 1.532 10.104 ( 0.000 1.764 -1.045) 2.050 10.138 ( 0.000 -2.145 -1.613) 2.684 10.226 ( 0.000 4.097 -4.097) 5.794 10.297 ( 0.000 -2.923 -5.400) 6.140 10.498 ( 0.000 3.012 -1.141) 3.221 10.541 ( 0.000 -0.741 -1.687) 1.843 10.689 ( 0.000 5.258 -2.790) 5.952 10.743 ( 0.000 1.976 -6.840) 7.120 10.923 ( 0.000 0.457 1.652) 1.714 10.974 ( 0.000 -2.149 1.473) 2.605 11.062 ( 0.000 -0.020 4.798) 4.798 11.175 ( 0.000 0.271 4.848) 4.856 11.192 ( 0.000 -12.323 -1.400) 12.403 11.193 ( 0.000 -0.550 7.749) 7.769 11.629 ( 0.000 8.690 4.898) 9.975 11.858 ( 0.000 -13.823 3.016) 14.149 13.293 ( 0.000 7.032 1.813) 7.262 13.358 ( 0.000 7.106 0.132) 7.107 13.420 ( 0.000 -4.154 1.947) 4.588 13.502 ( 0.000 -5.564 0.207) 5.568 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.462 14.455 5.449) 15.454 1.578 ( 5.498 15.296 5.874) 17.282 1.734 ( -3.271 -8.638 3.640) 9.928 1.764 ( -7.788 3.295 1.182) 8.539 1.873 ( -4.423 -6.685 -0.702) 8.046 1.927 ( 2.435 -8.634 2.470) 9.305 1.988 ( -1.302 0.871 2.901) 3.297 2.166 ( 0.359 -10.127 2.010) 10.331 2.400 ( 4.858 3.945 3.587) 7.213 2.441 ( 6.738 -1.377 1.543) 7.048 2.686 ( -5.583 15.233 -0.418) 16.229 2.862 ( -1.166 1.236 -2.189) 2.771 2.935 ( -0.505 14.618 2.079) 14.774 3.077 ( -2.539 6.871 -2.299) 7.678 3.136 ( -0.131 2.632 -1.192) 2.892 3.195 ( 3.037 8.219 -0.867) 8.805 3.223 ( -4.314 -0.306 -2.349) 4.921 3.246 ( -2.060 2.454 -4.999) 5.938 3.286 ( 1.269 3.741 -4.809) 6.223 3.358 ( -0.743 1.427 -2.765) 3.199 3.388 ( 0.240 -6.050 1.455) 6.227 3.449 ( 1.151 -4.830 -2.820) 5.710 3.478 ( -0.383 -3.271 -1.702) 3.708 3.509 ( -0.937 -5.218 0.484) 5.323 3.652 ( 6.332 2.675 0.766) 6.917 3.708 ( 5.678 -1.344 -2.153) 6.220 3.780 ( 5.043 -4.802 -2.943) 7.560 3.808 ( 7.154 -7.009 -1.438) 10.118 4.114 ( -4.934 9.245 -2.769) 10.839 4.195 ( -4.938 1.187 -3.164) 5.983 4.230 ( -3.450 6.677 -3.469) 8.278 4.350 ( 0.081 2.476 -1.934) 3.143 4.412 ( -3.660 -7.333 -0.411) 8.206 4.453 ( -3.535 -6.737 2.357) 7.965 4.552 ( -2.967 -1.019 0.059) 3.138 4.583 ( -2.799 -3.766 0.693) 4.743 4.689 ( 3.944 3.113 3.202) 5.958 4.813 ( 2.749 -7.157 5.115) 9.216 4.911 ( -3.075 3.432 5.287) 7.013 4.955 ( -1.262 0.104 5.247) 5.397 5.161 ( 1.519 3.399 1.390) 3.974 5.216 ( 0.460 7.983 -1.346) 8.109 5.267 ( 2.347 -2.482 -3.515) 4.902 5.315 ( 5.496 -5.999 3.514) 8.862 5.381 ( -0.584 3.268 -1.151) 3.513 5.494 ( -3.118 -1.734 -0.063) 3.568 5.521 ( -1.216 -0.537 -0.150) 1.338 5.621 ( 1.847 -4.846 -1.496) 5.398 5.652 ( 2.007 -2.298 2.509) 3.951 5.662 ( 3.060 -5.311 -1.934) 6.427 5.855 ( 0.775 5.427 1.952) 5.819 5.951 ( -2.476 -4.069 0.542) 4.794 6.256 ( 0.043 3.580 0.963) 3.708 6.339 ( -0.213 0.074 0.740) 0.774 6.368 ( 1.686 0.154 1.272) 2.117 6.451 ( 0.364 -6.572 3.734) 7.568 6.558 ( 0.778 0.975 -8.222) 8.316 6.614 ( 2.232 -3.571 -5.399) 6.847 6.888 ( -8.564 4.453 -5.966) 11.348 6.970 ( -6.050 -3.594 -4.269) 8.230 7.402 ( 3.860 3.185 -0.960) 5.095 7.463 ( 6.431 -2.987 -1.466) 7.241 7.645 ( 0.406 5.657 -6.862) 8.903 7.665 ( 0.139 2.408 -7.189) 7.583 7.742 ( -0.644 1.175 -5.508) 5.669 7.767 ( -1.725 3.193 -2.059) 4.173 7.835 ( -3.932 -3.171 -2.734) 5.744 7.888 ( -1.056 -6.244 -6.224) 8.879 8.463 ( 3.178 1.662 3.421) 4.957 8.479 ( 4.798 0.213 1.943) 5.181 8.690 ( -3.136 2.685 -0.056) 4.129 8.746 ( -2.199 -2.721 -1.292) 3.729 9.478 ( 2.650 7.368 2.469) 8.209 9.603 ( 3.588 -4.595 2.601) 6.384 9.727 ( -3.496 9.036 0.357) 9.696 9.850 ( -2.922 -1.818 0.154) 3.445 10.112 ( 0.892 2.265 -0.305) 2.453 10.144 ( 0.708 -0.098 -1.511) 1.671 10.220 ( -0.454 1.944 -2.835) 3.467 10.290 ( -0.982 -3.778 -4.413) 5.891 10.514 ( 1.815 2.556 -1.282) 3.387 10.549 ( 0.899 -0.383 -1.653) 1.921 10.673 ( -1.737 3.507 -2.455) 4.619 10.707 ( -3.367 1.092 -5.747) 6.750 10.927 ( 0.502 1.317 1.791) 2.279 10.980 ( 0.486 -2.380 1.620) 2.920 11.043 ( -1.539 -1.233 4.294) 4.725 11.067 ( -5.193 -2.344 3.538) 6.707 11.236 ( 5.650 3.464 4.696) 8.122 11.360 ( 9.399 -8.691 1.935) 12.947 11.598 ( -3.173 7.311 4.955) 9.385 11.820 ( -4.045 -13.834 2.885) 14.699 13.301 ( 0.849 7.111 1.662) 7.352 13.355 ( -0.413 7.464 0.300) 7.481 13.427 ( 0.839 -4.675 1.762) 5.066 13.495 ( -0.761 -5.521 0.349) 5.584 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.895 9.856 4.796) 12.004 1.602 ( -8.358 5.584 3.445) 10.625 1.658 ( 2.654 1.453 4.626) 5.528 1.704 ( -1.816 -0.842 6.344) 6.652 1.809 ( 0.937 -0.847 -1.256) 1.782 1.885 ( -5.056 8.041 1.765) 9.661 2.051 ( 5.242 -13.914 3.320) 15.235 2.134 ( -3.434 -12.800 3.367) 13.674 2.494 ( 4.982 9.218 1.470) 10.581 2.584 ( -3.862 12.678 0.245) 13.255 2.601 ( 8.243 -1.663 0.100) 8.410 2.765 ( -7.820 -4.903 -0.961) 9.280 2.969 ( 2.479 11.838 -2.265) 12.305 3.018 ( -2.985 9.592 -2.962) 10.474 3.125 ( -0.283 -3.862 -5.065) 6.375 3.148 ( -2.914 -3.222 -5.815) 7.258 3.241 ( 1.060 7.798 -1.901) 8.096 3.244 ( 1.313 10.307 -4.406) 11.286 3.307 ( 0.868 5.647 -3.209) 6.553 3.331 ( -1.647 6.964 3.336) 7.895 3.402 ( 1.227 -4.460 -1.548) 4.878 3.432 ( -1.685 -2.030 -3.797) 4.623 3.504 ( 1.288 -8.679 2.345) 9.082 3.511 ( 0.345 -8.404 1.464) 8.538 3.767 ( 5.044 6.343 -2.437) 8.463 3.803 ( 3.303 4.394 -0.589) 5.528 3.882 ( 7.481 -3.556 -1.565) 8.430 3.971 ( 5.442 -7.809 -0.504) 9.532 4.033 ( -1.891 7.118 -1.407) 7.498 4.057 ( -7.915 3.923 0.681) 8.860 4.174 ( -1.661 -0.872 -2.672) 3.264 4.260 ( -8.466 -5.535 -0.391) 10.123 4.380 ( 2.156 -0.345 -3.900) 4.470 4.432 ( -2.513 -1.711 -0.363) 3.062 4.491 ( -0.191 -5.351 1.598) 5.587 4.531 ( -3.073 -6.548 0.537) 7.254 4.771 ( 4.311 3.112 2.650) 5.941 4.839 ( -2.495 2.690 3.861) 5.326 4.874 ( 1.617 -4.472 4.858) 6.798 4.919 ( -2.454 -2.876 5.154) 6.392 5.206 ( 2.297 8.198 1.527) 8.650 5.224 ( 0.116 9.847 -0.277) 9.851 5.310 ( 2.612 0.251 -1.551) 3.048 5.355 ( -1.115 -2.764 0.332) 2.999 5.408 ( 1.513 2.912 -0.710) 3.358 5.442 ( -2.446 -0.806 -0.880) 2.721 5.518 ( 2.774 -7.889 0.576) 8.382 5.588 ( -3.476 -10.360 0.226) 10.930 5.737 ( 4.555 2.217 -0.418) 5.083 5.739 ( 3.857 0.555 -2.040) 4.399 5.853 ( -0.831 -2.003 0.374) 2.201 5.885 ( -4.089 -4.314 0.144) 5.945 6.276 ( 2.186 5.550 1.916) 6.265 6.321 ( -2.014 4.950 1.800) 5.639 6.403 ( 1.941 -5.054 1.299) 5.567 6.438 ( -1.586 -5.727 1.875) 6.231 6.602 ( 4.501 3.440 -6.963) 8.977 6.697 ( 6.441 -5.394 -3.135) 8.967 6.725 ( -8.289 5.322 -5.481) 11.272 6.834 ( -7.910 -5.417 -2.726) 9.967 7.489 ( 5.165 5.199 -1.515) 7.484 7.577 ( 0.904 1.462 -2.250) 2.832 7.597 ( 0.511 0.630 -1.561) 1.759 7.688 ( -0.596 0.610 -6.213) 6.272 7.709 ( -1.846 0.368 -3.727) 4.175 7.746 ( -2.381 4.389 -6.019) 7.821 7.797 ( 2.389 -4.666 -6.313) 8.205 7.853 ( -2.770 -5.190 -6.859) 9.036 8.534 ( 4.215 3.405 2.639) 6.027 8.576 ( 4.070 0.875 1.073) 4.299 8.626 ( -2.490 1.268 0.950) 2.952 8.684 ( -4.336 -2.977 -0.603) 5.293 9.547 ( 4.677 8.583 0.932) 9.819 9.642 ( -5.266 9.088 -0.101) 10.504 9.685 ( 4.917 -4.238 0.565) 6.516 9.776 ( -4.739 -3.085 -0.429) 5.671 10.136 ( 1.479 3.578 0.264) 3.881 10.154 ( -0.145 3.873 -0.547) 3.914 10.222 ( 1.077 -3.133 -1.706) 3.726 10.258 ( -2.279 -4.415 -2.516) 5.569 10.564 ( 3.335 1.309 -2.179) 4.193 10.576 ( 2.057 0.522 -1.853) 2.817 10.629 ( -2.752 0.978 -1.754) 3.406 10.637 ( -3.821 0.134 -3.679) 5.306 10.945 ( 1.502 2.387 2.232) 3.597 10.979 ( -1.482 0.207 2.410) 2.836 11.005 ( -0.683 -1.698 3.060) 3.565 11.017 ( -1.217 -2.423 3.064) 4.091 11.359 ( 7.088 6.943 4.017) 10.704 11.469 ( -2.679 6.911 2.603) 7.856 11.575 ( 5.770 -10.993 3.809) 12.986 11.714 ( -7.168 -13.811 2.688) 15.791 13.321 ( 1.206 7.334 1.267) 7.540 13.342 ( -0.977 7.578 0.756) 7.678 13.449 ( 1.404 -5.190 1.270) 5.524 13.475 ( -1.321 -5.403 0.739) 5.611 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 0.000 14.842) 14.842 1.241 ( 0.000 0.000 16.455) 16.455 1.523 ( 0.000 0.000 -9.947) 9.947 1.621 ( 0.000 0.000 -3.444) 3.444 1.779 ( 0.000 0.000 16.907) 16.907 1.837 ( 0.000 0.000 6.748) 6.748 2.114 ( 0.000 0.000 4.192) 4.192 2.270 ( 0.000 0.000 5.974) 5.974 2.287 ( 0.000 0.000 -3.966) 3.966 2.313 ( 0.000 0.000 11.770) 11.770 2.362 ( 0.000 0.000 4.019) 4.019 2.507 ( 0.000 0.000 -6.047) 6.047 2.554 ( 0.000 0.000 -6.074) 6.074 2.789 ( 0.000 0.000 -9.413) 9.413 2.957 ( 0.000 0.000 -4.078) 4.078 3.106 ( 0.000 0.000 2.821) 2.821 3.115 ( 0.000 0.000 1.405) 1.405 3.132 ( 0.000 0.000 -9.775) 9.775 3.297 ( 0.000 0.000 -1.179) 1.179 3.364 ( 0.000 0.000 3.947) 3.947 3.426 ( 0.000 0.000 0.806) 0.806 3.498 ( 0.000 0.000 -10.141) 10.141 3.553 ( 0.000 0.000 4.876) 4.876 3.706 ( 0.000 0.000 0.533) 0.533 3.717 ( 0.000 0.000 -1.265) 1.265 3.748 ( 0.000 0.000 -5.638) 5.638 3.827 ( 0.000 0.000 3.797) 3.797 3.891 ( 0.000 0.000 -0.430) 0.430 3.946 ( 0.000 0.000 -0.201) 0.201 3.966 ( 0.000 0.000 0.217) 0.217 4.046 ( 0.000 0.000 -0.992) 0.992 4.135 ( 0.000 0.000 -5.925) 5.925 4.243 ( 0.000 0.000 1.173) 1.173 4.353 ( 0.000 0.000 -4.703) 4.703 4.756 ( 0.000 0.000 2.968) 2.968 4.772 ( 0.000 0.000 -0.953) 0.953 4.795 ( 0.000 0.000 2.293) 2.293 4.879 ( 0.000 0.000 -1.883) 1.883 4.893 ( 0.000 0.000 -4.566) 4.566 4.898 ( 0.000 0.000 0.735) 0.735 5.126 ( 0.000 0.000 4.357) 4.357 5.219 ( 0.000 0.000 -3.877) 3.877 5.240 ( 0.000 0.000 7.669) 7.669 5.421 ( 0.000 0.000 5.992) 5.992 5.524 ( 0.000 0.000 -0.588) 0.588 5.572 ( 0.000 0.000 -3.847) 3.847 5.639 ( 0.000 0.000 -8.576) 8.576 5.648 ( 0.000 0.000 -5.465) 5.465 5.724 ( 0.000 0.000 6.490) 6.490 5.835 ( 0.000 0.000 0.376) 0.376 5.928 ( 0.000 0.000 -3.624) 3.624 5.992 ( 0.000 0.000 -5.146) 5.146 6.409 ( 0.000 0.000 2.766) 2.766 6.458 ( 0.000 0.000 2.547) 2.547 6.462 ( 0.000 0.000 1.046) 1.046 6.512 ( 0.000 0.000 -1.624) 1.624 6.544 ( 0.000 0.000 1.565) 1.565 6.639 ( 0.000 0.000 -2.174) 2.174 6.948 ( 0.000 0.000 1.727) 1.727 7.040 ( 0.000 0.000 -2.266) 2.266 7.066 ( 0.000 0.000 1.315) 1.315 7.220 ( 0.000 0.000 -6.803) 6.803 7.317 ( 0.000 0.000 5.625) 5.625 7.513 ( 0.000 0.000 -3.263) 3.263 7.612 ( 0.000 0.000 -7.991) 7.991 7.645 ( 0.000 0.000 -10.099) 10.099 8.092 ( 0.000 0.000 4.419) 4.419 8.167 ( 0.000 0.000 0.473) 0.473 8.255 ( 0.000 0.000 2.785) 2.785 8.278 ( 0.000 0.000 0.998) 0.998 8.798 ( 0.000 0.000 2.894) 2.894 8.916 ( 0.000 0.000 -2.860) 2.860 9.315 ( 0.000 0.000 4.297) 4.297 9.480 ( 0.000 0.000 -3.648) 3.648 9.605 ( 0.000 0.000 0.339) 0.339 9.609 ( 0.000 0.000 0.112) 0.112 9.915 ( 0.000 0.000 2.685) 2.685 9.927 ( 0.000 0.000 2.334) 2.334 10.099 ( 0.000 0.000 3.856) 3.856 10.247 ( 0.000 0.000 -2.950) 2.950 10.330 ( 0.000 0.000 -0.474) 0.474 10.349 ( 0.000 0.000 -1.637) 1.637 10.586 ( 0.000 0.000 1.848) 1.848 10.654 ( 0.000 0.000 -1.654) 1.654 11.087 ( 0.000 0.000 5.709) 5.709 11.139 ( 0.000 0.000 -0.566) 0.566 11.145 ( 0.000 0.000 2.539) 2.539 11.182 ( 0.000 0.000 -2.806) 2.806 11.241 ( 0.000 0.000 4.866) 4.866 11.588 ( 0.000 0.000 -12.526) 12.526 11.895 ( 0.000 0.000 17.880) 17.880 12.454 ( 0.000 0.000 -11.340) 11.340 13.029 ( 0.000 0.000 1.839) 1.839 13.061 ( 0.000 0.000 -0.042) 0.042 13.562 ( 0.000 0.000 1.600) 1.600 13.612 ( 0.000 0.000 -0.793) 0.793 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.257 0.000 13.050) 14.932 1.282 ( 4.225 0.000 14.712) 15.306 1.523 ( -1.198 0.000 -6.508) 6.618 1.590 ( -3.321 0.000 -1.201) 3.532 1.809 ( 2.805 0.000 13.491) 13.780 1.852 ( 2.159 0.000 9.813) 10.047 2.124 ( 1.087 0.000 4.260) 4.397 2.249 ( -2.070 0.000 5.656) 6.023 2.275 ( -1.381 0.000 4.492) 4.699 2.306 ( 1.945 0.000 -4.522) 4.922 2.408 ( 2.980 0.000 4.285) 5.219 2.481 ( -2.637 0.000 -6.049) 6.599 2.507 ( -4.442 0.000 -5.825) 7.325 2.719 ( -7.088 0.000 -9.542) 11.886 2.990 ( 3.672 0.000 -1.862) 4.117 3.136 ( 2.923 0.000 2.096) 3.596 3.143 ( 3.188 0.000 2.000) 3.764 3.159 ( 0.730 0.000 -4.163) 4.226 3.246 ( -2.941 0.000 -3.752) 4.767 3.357 ( -0.998 0.000 3.679) 3.812 3.414 ( -2.261 0.000 0.108) 2.263 3.436 ( -5.733 0.000 -8.538) 10.284 3.492 ( -3.636 0.000 4.586) 5.853 3.594 ( -6.031 0.000 -0.377) 6.043 3.807 ( -0.197 0.000 3.111) 3.117 3.810 ( 5.207 0.000 -2.065) 5.602 3.821 ( 4.772 0.000 -2.460) 5.369 3.891 ( -0.474 0.000 -0.763) 0.898 4.019 ( 9.397 0.000 2.542) 9.735 4.030 ( -1.368 0.000 -1.469) 2.007 4.118 ( -2.118 0.000 -5.070) 5.495 4.128 ( 11.485 0.000 -2.595) 11.775 4.248 ( 1.252 0.000 0.644) 1.408 4.363 ( 0.310 0.000 -4.526) 4.537 4.745 ( -3.866 0.000 -0.261) 3.875 4.768 ( 1.361 0.000 2.196) 2.584 4.784 ( -1.806 0.000 2.465) 3.056 4.804 ( -5.237 0.000 -3.014) 6.042 4.859 ( -4.101 0.000 -0.011) 4.101 4.882 ( -1.187 0.000 -3.965) 4.139 5.145 ( 1.666 0.000 3.723) 4.079 5.225 ( 0.631 0.000 -1.731) 1.842 5.266 ( 1.465 0.000 4.126) 4.379 5.438 ( 1.766 0.000 5.381) 5.663 5.450 ( -4.542 0.000 -0.848) 4.620 5.581 ( -0.222 0.000 -1.806) 1.820 5.611 ( -3.176 0.000 -1.376) 3.461 5.673 ( 2.202 0.000 -5.007) 5.470 5.756 ( 2.641 0.000 2.483) 3.625 5.830 ( -0.459 0.000 -3.369) 3.401 5.910 ( -1.807 0.000 -3.210) 3.684 5.972 ( -1.611 0.000 -6.376) 6.577 6.398 ( -4.309 0.000 3.190) 5.361 6.424 ( 1.528 0.000 2.839) 3.224 6.435 ( -2.930 0.000 0.816) 3.042 6.513 ( -0.309 0.000 0.195) 0.366 6.551 ( 1.046 0.000 -0.061) 1.048 6.633 ( -0.656 0.000 -2.171) 2.268 6.983 ( 3.151 0.000 1.018) 3.311 7.061 ( 1.415 0.000 -2.216) 2.629 7.081 ( 1.609 0.000 1.639) 2.296 7.231 ( 0.174 0.000 -3.602) 3.606 7.305 ( -0.165 0.000 1.726) 1.734 7.541 ( 2.840 0.000 -3.091) 4.198 7.590 ( -5.415 0.000 -9.173) 10.652 7.630 ( 1.395 0.000 -7.214) 7.348 8.117 ( 2.254 0.000 3.425) 4.101 8.172 ( 0.401 0.000 0.707) 0.813 8.272 ( 2.020 0.000 3.269) 3.842 8.317 ( 3.591 0.000 1.234) 3.797 8.741 ( -5.148 0.000 3.261) 6.094 8.861 ( -5.445 0.000 -2.627) 6.045 9.333 ( 1.827 0.000 3.812) 4.227 9.465 ( -1.670 0.000 -2.520) 3.023 9.606 ( 0.091 0.000 0.330) 0.342 9.609 ( 0.025 0.000 0.143) 0.145 9.916 ( 0.102 0.000 2.648) 2.650 9.926 ( -0.129 0.000 2.362) 2.365 10.186 ( 8.146 0.000 1.379) 8.262 10.261 ( 1.926 0.000 -1.294) 2.320 10.369 ( 3.149 0.000 -0.838) 3.258 10.393 ( 4.264 0.000 -1.904) 4.670 10.577 ( -0.620 0.000 1.279) 1.421 10.635 ( -2.024 0.000 -1.671) 2.625 11.006 ( -6.783 0.000 4.219) 7.988 11.100 ( -5.349 0.000 0.925) 5.429 11.143 ( 0.414 0.000 -0.778) 0.881 11.178 ( -0.446 0.000 -2.590) 2.628 11.271 ( 2.455 0.000 5.751) 6.253 11.489 ( -7.156 0.000 -2.923) 7.730 12.016 ( 9.800 0.000 8.685) 13.094 12.426 ( -3.088 0.000 -9.369) 9.864 13.036 ( 0.720 0.000 1.617) 1.770 13.062 ( 0.028 0.000 0.136) 0.139 13.569 ( 0.663 0.000 1.381) 1.532 13.609 ( -0.344 0.000 -0.534) 0.635 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 9.289 0.000 9.072) 12.984 1.385 ( 6.433 0.000 10.158) 12.023 1.444 ( -7.086 0.000 2.651) 7.565 1.503 ( -5.905 0.000 4.199) 7.246 1.873 ( 3.440 0.000 9.354) 9.966 1.897 ( 1.304 0.000 11.216) 11.291 2.155 ( 2.211 0.000 4.471) 4.987 2.202 ( -2.769 0.000 4.980) 5.698 2.297 ( 3.890 0.000 -4.941) 6.288 2.355 ( 3.231 0.000 -5.485) 6.366 2.401 ( -6.178 0.000 -8.104) 10.190 2.420 ( -3.621 0.000 -5.988) 6.998 2.473 ( 3.862 0.000 2.641) 4.679 2.575 ( -7.190 0.000 -4.185) 8.319 3.062 ( 3.486 0.000 -0.070) 3.486 3.120 ( -3.161 0.000 1.222) 3.389 3.207 ( 4.641 0.000 2.052) 5.074 3.223 ( 4.675 0.000 2.310) 5.214 3.253 ( 2.598 0.000 -6.714) 7.199 3.312 ( -4.006 0.000 2.236) 4.588 3.327 ( -5.296 0.000 -6.656) 8.506 3.329 ( -5.201 0.000 1.145) 5.325 3.474 ( 0.703 0.000 2.846) 2.931 3.506 ( -3.094 0.000 1.109) 3.287 3.832 ( 2.335 0.000 2.170) 3.187 3.873 ( -1.664 0.000 0.383) 1.707 3.883 ( 2.376 0.000 -1.939) 3.067 3.891 ( 2.090 0.000 -1.496) 2.570 4.017 ( 0.758 0.000 -2.513) 2.625 4.063 ( -3.349 0.000 -3.580) 4.902 4.223 ( 11.033 0.000 2.967) 11.424 4.293 ( 3.169 0.000 -1.281) 3.418 4.309 ( 5.128 0.000 0.294) 5.137 4.346 ( -2.161 0.000 -3.279) 3.927 4.622 ( -5.020 0.000 -1.626) 5.277 4.680 ( -7.994 0.000 -3.472) 8.715 4.775 ( 0.331 0.000 -1.230) 1.274 4.798 ( -1.952 0.000 -1.838) 2.681 4.805 ( 2.431 0.000 0.027) 2.431 4.850 ( -2.217 0.000 -2.327) 3.214 5.177 ( 1.865 0.000 4.180) 4.577 5.216 ( -1.998 0.000 1.804) 2.692 5.301 ( 3.290 0.000 1.205) 3.504 5.374 ( -4.073 0.000 -0.413) 4.093 5.483 ( 3.061 0.000 3.822) 4.897 5.546 ( -3.590 0.000 1.668) 3.959 5.604 ( 2.804 0.000 0.011) 2.804 5.663 ( -2.881 0.000 -0.660) 2.956 5.810 ( 3.042 0.000 -0.307) 3.057 5.857 ( 3.533 0.000 -8.798) 9.481 5.866 ( -2.865 0.000 -2.070) 3.534 5.929 ( -3.414 0.000 -9.633) 10.220 6.350 ( -0.283 0.000 3.342) 3.354 6.378 ( -2.788 0.000 1.469) 3.151 6.459 ( 2.084 0.000 2.769) 3.466 6.494 ( -1.572 0.000 2.133) 2.649 6.582 ( 1.923 0.000 -1.617) 2.513 6.614 ( -1.430 0.000 -2.046) 2.496 7.040 ( 2.521 0.000 -0.369) 2.548 7.070 ( -0.632 0.000 -1.630) 1.748 7.125 ( 3.157 0.000 2.447) 3.995 7.191 ( -3.609 0.000 2.802) 4.570 7.356 ( 5.147 0.000 -6.332) 8.160 7.471 ( -6.819 0.000 -7.937) 10.464 7.602 ( 3.126 0.000 -3.574) 4.748 7.640 ( -0.749 0.000 -5.302) 5.354 8.157 ( 1.697 0.000 2.125) 2.720 8.175 ( -0.295 0.000 1.276) 1.310 8.328 ( 3.664 0.000 4.546) 5.839 8.370 ( 0.517 0.000 3.275) 3.316 8.672 ( -0.252 0.000 0.883) 0.919 8.743 ( -6.387 0.000 -2.055) 6.710 9.375 ( 2.547 0.000 2.145) 3.330 9.424 ( -2.592 0.000 -0.201) 2.600 9.608 ( 0.102 0.000 0.292) 0.309 9.609 ( -0.031 0.000 0.218) 0.221 9.919 ( 0.184 0.000 2.552) 2.559 9.923 ( -0.200 0.000 2.442) 2.450 10.307 ( 3.821 0.000 0.757) 3.896 10.337 ( 3.348 0.000 0.586) 3.399 10.415 ( 3.159 0.000 -1.945) 3.709 10.466 ( 1.546 0.000 -3.140) 3.500 10.576 ( 0.137 0.000 0.282) 0.314 10.596 ( -1.179 0.000 -0.658) 1.350 10.903 ( -2.124 0.000 1.447) 2.570 10.968 ( -7.466 0.000 -0.988) 7.531 11.154 ( 0.686 0.000 -1.334) 1.500 11.167 ( -0.706 0.000 -2.027) 2.146 11.319 ( 2.845 0.000 5.726) 6.394 11.382 ( -4.285 0.000 3.587) 5.588 12.196 ( 9.026 0.000 1.298) 9.119 12.339 ( -6.298 0.000 -4.615) 7.808 13.050 ( 0.702 0.000 1.130) 1.330 13.060 ( -0.300 0.000 0.590) 0.662 13.584 ( 0.902 0.000 0.823) 1.221 13.599 ( -0.710 0.000 0.103) 0.718 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 7.598 13.360) 15.370 1.340 ( 0.000 6.958 18.956) 20.193 1.561 ( 0.000 3.668 -9.115) 9.826 1.818 ( 0.000 16.018 -1.209) 16.063 1.838 ( 0.000 1.765 2.179) 2.805 1.885 ( 0.000 11.630 9.499) 15.017 2.161 ( 0.000 2.907 4.299) 5.190 2.277 ( 0.000 -1.866 7.359) 7.592 2.284 ( 0.000 -1.192 5.341) 5.472 2.377 ( 0.000 5.357 0.133) 5.358 2.397 ( 0.000 5.891 6.057) 8.449 2.481 ( 0.000 -3.411 -4.788) 5.879 2.648 ( 0.000 9.845 -6.077) 11.569 2.783 ( 0.000 -0.576 -6.093) 6.120 2.843 ( 0.000 -5.554 -3.390) 6.507 2.968 ( 0.000 -6.588 -11.303) 13.083 3.195 ( 0.000 2.419 3.546) 4.292 3.210 ( 0.000 5.208 1.464) 5.410 3.261 ( 0.000 -2.378 0.309) 2.398 3.343 ( 0.000 -2.781 0.005) 2.781 3.410 ( 0.000 -1.814 -0.230) 1.829 3.460 ( 0.000 -1.620 -6.982) 7.168 3.573 ( 0.000 1.119 6.299) 6.398 3.707 ( 0.000 0.735 0.708) 1.021 3.711 ( 0.000 -1.224 -1.210) 1.721 3.814 ( 0.000 -2.395 1.854) 3.029 3.830 ( 0.000 0.463 -4.183) 4.208 3.854 ( 0.000 -0.670 -3.193) 3.263 3.942 ( 0.000 -1.431 -0.295) 1.461 3.982 ( 0.000 5.296 -1.011) 5.391 4.056 ( 0.000 1.174 -1.848) 2.190 4.118 ( 0.000 -0.802 -4.256) 4.331 4.364 ( 0.000 10.751 -0.819) 10.782 4.409 ( 0.000 5.085 -3.219) 6.018 4.698 ( 0.000 -3.964 3.116) 5.042 4.789 ( 0.000 -2.341 -2.435) 3.378 4.816 ( 0.000 -1.109 3.985) 4.136 4.858 ( 0.000 1.924 -0.629) 2.024 4.881 ( 0.000 1.689 -2.253) 2.816 4.898 ( 0.000 -1.405 -0.885) 1.661 5.129 ( 0.000 -0.208 6.061) 6.065 5.209 ( 0.000 -2.609 6.135) 6.667 5.212 ( 0.000 -0.010 -2.727) 2.727 5.488 ( 0.000 -1.064 -0.670) 1.257 5.491 ( 0.000 3.768 0.974) 3.892 5.575 ( 0.000 -3.182 -6.524) 7.259 5.594 ( 0.000 1.080 -0.739) 1.309 5.698 ( 0.000 -2.342 5.991) 6.433 5.707 ( 0.000 -5.715 -0.783) 5.769 5.817 ( 0.000 6.637 -4.395) 7.960 5.900 ( 0.000 -2.698 -2.192) 3.476 5.936 ( 0.000 -5.372 -5.043) 7.368 6.315 ( 0.000 -6.024 2.758) 6.626 6.380 ( 0.000 -6.166 0.271) 6.172 6.467 ( 0.000 -4.438 2.382) 5.037 6.482 ( 0.000 1.697 -0.762) 1.860 6.562 ( 0.000 1.688 -1.104) 2.018 6.700 ( 0.000 3.470 -3.582) 4.987 6.890 ( 0.000 -8.314 1.146) 8.393 6.971 ( 0.000 0.667 -1.369) 1.523 7.233 ( 0.000 9.368 -1.279) 9.455 7.278 ( 0.000 5.236 -4.723) 7.052 7.331 ( 0.000 1.479 4.386) 4.628 7.534 ( 0.000 2.042 -2.813) 3.475 7.539 ( 0.000 -3.916 -6.536) 7.620 7.704 ( 0.000 2.929 -9.799) 10.228 7.966 ( 0.000 -8.259 4.458) 9.385 8.079 ( 0.000 -6.122 -2.191) 6.502 8.348 ( 0.000 5.632 2.575) 6.192 8.360 ( 0.000 5.337 2.237) 5.787 8.773 ( 0.000 -2.244 2.566) 3.409 8.869 ( 0.000 -3.872 -1.899) 4.313 9.320 ( 0.000 1.382 4.036) 4.267 9.476 ( 0.000 1.165 -3.110) 3.321 9.639 ( 0.000 2.619 0.865) 2.758 9.672 ( 0.000 5.396 -0.929) 5.475 10.002 ( 0.000 5.998 2.217) 6.395 10.025 ( 0.000 8.615 0.628) 8.638 10.092 ( 0.000 -0.581 3.025) 3.080 10.236 ( 0.000 -1.128 -3.462) 3.641 10.363 ( 0.000 3.256 -0.993) 3.404 10.364 ( 0.000 1.603 -1.123) 1.958 10.590 ( 0.000 0.442 1.861) 1.912 10.653 ( 0.000 -0.145 -1.502) 1.509 11.081 ( 0.000 -1.243 4.893) 5.049 11.108 ( 0.000 -2.156 1.061) 2.403 11.169 ( 0.000 1.615 1.369) 2.117 11.179 ( 0.000 -0.028 -1.162) 1.162 11.228 ( 0.000 -0.750 3.516) 3.595 11.521 ( 0.000 -6.520 -11.136) 12.904 11.852 ( 0.000 -4.057 16.649) 17.136 12.355 ( 0.000 -9.270 -9.261) 13.104 13.068 ( 0.000 3.930 1.695) 4.280 13.098 ( 0.000 3.687 -0.043) 3.688 13.556 ( 0.000 -0.730 1.697) 1.848 13.606 ( 0.000 -0.687 -0.703) 0.983 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 6.711 6.968 11.813) 15.269 1.380 ( 4.285 6.822 17.575) 19.334 1.561 ( -0.882 3.701 -6.191) 7.267 1.764 ( -5.609 11.576 3.904) 13.442 1.848 ( 1.478 5.445 0.486) 5.663 1.909 ( 2.002 9.921 8.189) 13.019 2.140 ( -1.683 -2.325 2.459) 3.780 2.207 ( -2.801 -2.285 2.501) 4.395 2.336 ( 0.968 2.167 6.314) 6.745 2.378 ( -0.119 4.448 -0.843) 4.529 2.405 ( 0.613 3.005 4.571) 5.505 2.494 ( 2.266 4.402 -4.018) 6.377 2.633 ( -1.697 10.246 -5.907) 11.948 2.725 ( -6.307 1.299 -8.158) 10.393 2.868 ( 3.714 -6.881 -1.136) 7.901 3.002 ( 2.014 -7.559 -5.900) 9.798 3.198 ( 1.031 1.811 3.234) 3.847 3.210 ( -3.243 -2.388 -0.714) 4.090 3.253 ( 3.060 4.801 0.227) 5.698 3.314 ( -3.188 -4.346 -2.449) 5.920 3.378 ( -1.677 -1.553 0.664) 2.380 3.461 ( -1.944 2.008 -4.233) 5.073 3.526 ( -3.175 1.830 4.564) 5.853 3.600 ( -5.013 0.783 -0.623) 5.112 3.781 ( -0.570 -2.437 2.752) 3.720 3.833 ( 3.436 -0.876 -1.802) 3.978 3.858 ( 2.222 -1.758 0.114) 2.836 3.890 ( 2.611 5.170 -4.326) 7.229 3.975 ( 7.563 -3.036 2.175) 8.435 4.038 ( -0.592 0.643 -0.819) 1.197 4.100 ( -1.453 -0.922 -3.801) 4.172 4.129 ( 9.771 1.038 -4.928) 10.992 4.367 ( 0.808 9.544 0.038) 9.578 4.433 ( 1.664 6.905 -2.751) 7.617 4.666 ( -3.782 -5.227 1.789) 6.695 4.750 ( -5.575 -4.442 -1.938) 7.387 4.779 ( -2.574 -1.509 1.155) 3.199 4.841 ( -2.010 3.236 -0.753) 3.883 4.863 ( -1.453 2.670 -0.572) 3.093 4.875 ( -0.763 -1.324 -0.842) 1.745 5.147 ( 1.512 0.104 4.599) 4.842 5.211 ( 0.597 -0.770 0.091) 0.978 5.244 ( 1.983 -1.656 3.133) 4.061 5.412 ( -3.705 -0.654 -0.076) 3.763 5.527 ( 0.252 -0.468 -1.930) 2.002 5.565 ( -0.849 4.629 5.175) 6.995 5.620 ( 2.349 -3.508 -4.297) 6.024 5.687 ( -0.604 -0.101 4.624) 4.664 5.738 ( 2.360 -5.276 -4.272) 7.187 5.817 ( 0.122 5.555 -4.169) 6.946 5.872 ( -1.915 -2.807 -2.574) 4.263 5.939 ( -0.285 -3.526 -5.596) 6.620 6.307 ( -0.980 -5.793 2.929) 6.565 6.363 ( -1.968 -4.843 0.946) 5.312 6.443 ( -0.212 -1.712 1.259) 2.135 6.508 ( 0.990 -1.235 -0.755) 1.754 6.555 ( -0.701 1.594 -0.954) 1.986 6.640 ( -4.696 0.673 -2.743) 5.480 6.904 ( 2.493 -6.520 2.538) 7.427 7.019 ( 2.628 -2.024 -2.351) 4.066 7.222 ( -0.083 8.439 -0.834) 8.481 7.286 ( -0.976 4.547 -0.396) 4.667 7.340 ( 1.580 4.014 -1.466) 4.556 7.537 ( -0.582 -2.691 -6.171) 6.757 7.563 ( 2.274 1.686 -3.252) 4.312 7.672 ( -2.069 2.166 -8.068) 8.606 7.990 ( 2.177 -8.439 3.429) 9.365 8.076 ( -0.401 -6.808 -1.398) 6.962 8.368 ( 2.237 5.963 3.204) 7.129 8.402 ( 3.898 5.418 1.596) 6.863 8.723 ( -4.501 -1.538 2.994) 5.620 8.829 ( -4.172 -2.720 -2.154) 5.426 9.329 ( 1.087 0.775 3.572) 3.813 9.455 ( -2.152 0.616 -2.285) 3.199 9.640 ( 0.070 2.733 0.648) 2.810 9.663 ( -0.736 4.808 -0.605) 4.902 10.003 ( 0.146 6.213 2.419) 6.668 10.012 ( -0.439 7.019 2.229) 7.377 10.186 ( 7.881 0.155 -0.144) 7.884 10.250 ( 1.706 -1.148 -2.125) 2.957 10.394 ( 2.481 2.396 -1.012) 3.595 10.403 ( 3.837 1.186 -1.542) 4.302 10.581 ( -0.582 0.520 1.292) 1.510 10.635 ( -1.900 -0.045 -1.538) 2.445 11.004 ( -6.165 -0.416 3.873) 7.292 11.106 ( -4.517 0.586 1.587) 4.823 11.131 ( -1.058 -1.392 -1.105) 2.068 11.162 ( -0.932 -1.301 -1.882) 2.470 11.266 ( 3.100 -0.303 5.131) 6.003 11.460 ( -4.544 -2.573 -3.010) 6.027 11.950 ( 8.442 -6.300 9.101) 13.921 12.328 ( -2.984 -9.246 -7.663) 12.374 13.075 ( 0.630 3.844 1.510) 4.178 13.098 ( 0.017 3.668 0.128) 3.671 13.562 ( 0.650 -0.744 1.468) 1.769 13.603 ( -0.362 -0.708 -0.462) 0.919 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 8.753 6.021 8.032) 13.318 1.482 ( 1.657 5.658 8.675) 10.489 1.504 ( -0.668 6.262 6.849) 9.304 1.635 ( -7.747 8.414 8.481) 14.239 1.893 ( 2.893 5.583 1.914) 6.573 1.929 ( -0.458 6.925 5.530) 8.874 2.128 ( 0.904 -7.288 -1.977) 7.605 2.164 ( -2.294 -6.104 -0.896) 6.582 2.343 ( 0.618 5.721 3.237) 6.602 2.363 ( -1.244 6.159 1.479) 6.455 2.452 ( 4.827 3.436 -0.489) 5.945 2.549 ( 2.351 10.544 -5.316) 12.040 2.570 ( -5.520 5.021 -4.082) 8.506 2.611 ( -3.910 8.462 -5.067) 10.609 2.946 ( 3.979 -7.766 0.461) 8.738 3.003 ( -1.969 -8.011 0.128) 8.250 3.183 ( 1.082 -3.577 -4.601) 5.928 3.227 ( -1.119 -4.296 -1.140) 4.583 3.255 ( 0.344 -0.161 -1.332) 1.385 3.303 ( -0.594 -0.042 -1.114) 1.263 3.350 ( 1.094 4.588 4.232) 6.337 3.408 ( -3.128 6.361 1.735) 7.297 3.493 ( -0.220 0.874 0.489) 1.025 3.521 ( -3.242 1.990 -1.481) 4.082 3.791 ( 1.761 -3.453 2.235) 4.475 3.829 ( -1.779 -3.935 0.326) 4.330 3.916 ( 2.407 2.695 -1.455) 3.896 3.937 ( 0.916 3.769 -1.727) 4.245 4.033 ( 0.894 0.650 -2.384) 2.628 4.063 ( -1.576 -0.445 -2.414) 2.917 4.166 ( 10.261 -3.474 1.145) 10.894 4.276 ( 2.145 -1.351 -1.200) 2.804 4.401 ( 3.149 7.117 1.025) 7.850 4.456 ( 0.991 8.578 -0.166) 8.636 4.555 ( -5.031 -5.557 -2.044) 7.770 4.628 ( -7.733 -3.429 -4.199) 9.444 4.746 ( 0.328 -2.416 -1.796) 3.028 4.783 ( -2.990 0.321 -2.975) 4.230 4.862 ( 0.429 2.566 0.275) 2.616 4.868 ( -0.295 1.184 -0.139) 1.228 5.176 ( 1.588 0.230 4.126) 4.427 5.206 ( -1.413 -0.170 1.842) 2.328 5.287 ( 3.191 -0.860 1.892) 3.808 5.352 ( -3.357 -0.846 0.242) 3.471 5.531 ( 1.233 -3.273 1.985) 4.021 5.561 ( -1.222 0.859 3.489) 3.795 5.639 ( 1.341 2.708 0.869) 3.144 5.673 ( -1.623 3.494 1.475) 4.125 5.789 ( 2.576 -4.847 -6.176) 8.263 5.818 ( -0.601 -0.448 -4.029) 4.098 5.861 ( 1.651 1.351 -4.986) 5.424 5.913 ( -2.608 -1.499 -6.906) 7.533 6.292 ( 0.053 -4.340 2.909) 5.225 6.318 ( -2.413 -4.138 1.831) 5.128 6.466 ( 2.148 -1.439 0.907) 2.740 6.505 ( -1.576 -1.813 0.080) 2.403 6.548 ( 0.525 0.068 -1.624) 1.709 6.574 ( -2.263 -2.523 -1.904) 3.887 6.970 ( 3.977 -5.358 2.141) 7.007 7.028 ( -1.730 -4.014 -0.082) 4.372 7.234 ( 1.089 7.554 -0.379) 7.641 7.257 ( -1.499 5.799 0.565) 6.017 7.386 ( 3.641 3.154 -6.008) 7.701 7.473 ( -5.176 0.636 -7.089) 8.801 7.619 ( 2.942 1.405 -3.345) 4.671 7.654 ( -0.807 1.015 -5.066) 5.229 8.032 ( 2.115 -8.769 1.977) 9.235 8.063 ( -1.106 -8.146 0.323) 8.227 8.425 ( 3.490 6.151 4.085) 8.167 8.463 ( 0.923 6.089 2.891) 6.804 8.662 ( -0.129 -0.920 0.795) 1.222 8.730 ( -5.771 -1.126 -1.957) 6.197 9.360 ( 2.166 -0.089 1.915) 2.892 9.407 ( -2.784 -0.108 -0.326) 2.805 9.643 ( 0.263 3.084 0.205) 3.102 9.650 ( -0.571 3.797 -0.197) 3.844 10.007 ( 0.164 6.661 2.617) 7.158 10.009 ( -0.077 6.864 2.570) 7.330 10.297 ( 3.148 -1.249 -0.149) 3.390 10.315 ( 3.410 -2.098 -0.558) 4.042 10.432 ( 2.451 1.709 -1.849) 3.514 10.468 ( 1.331 0.376 -3.013) 3.316 10.580 ( 0.259 0.472 0.257) 0.596 10.597 ( -1.282 0.115 -0.688) 1.460 10.912 ( -1.877 0.970 1.541) 2.615 10.971 ( -7.144 0.484 -0.619) 7.187 11.138 ( 0.649 -1.598 -0.666) 1.849 11.150 ( -0.575 -1.543 -1.115) 1.989 11.324 ( 3.172 0.553 5.133) 6.059 11.385 ( -3.567 0.411 3.018) 4.690 12.111 ( 8.316 -8.157 1.868) 11.798 12.245 ( -5.968 -8.990 -3.600) 11.375 13.087 ( 0.641 3.716 1.073) 3.921 13.096 ( -0.283 3.662 0.561) 3.715 13.577 ( 0.898 -0.758 0.882) 1.470 13.593 ( -0.723 -0.743 0.152) 1.048 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 12.652 10.023) 16.142 1.458 ( 0.000 5.632 16.540) 17.472 1.667 ( 0.000 6.737 -6.425) 9.310 1.848 ( 0.000 0.672 1.709) 1.836 2.103 ( 0.000 -0.083 -1.407) 1.409 2.137 ( 0.000 -4.517 0.886) 4.603 2.144 ( 0.000 6.064 -0.173) 6.067 2.173 ( 0.000 -8.934 2.555) 9.292 2.338 ( 0.000 12.587 3.227) 12.994 2.434 ( 0.000 2.928 5.474) 6.207 2.502 ( 0.000 7.985 -2.709) 8.432 2.513 ( 0.000 5.257 7.942) 9.524 2.794 ( 0.000 6.912 -4.373) 8.179 2.863 ( 0.000 11.045 0.642) 11.064 2.925 ( 0.000 1.339 -15.205) 15.264 2.950 ( 0.000 12.862 -4.222) 13.537 3.195 ( 0.000 -2.346 2.688) 3.568 3.237 ( 0.000 1.736 4.006) 4.366 3.274 ( 0.000 -2.706 -1.142) 2.937 3.318 ( 0.000 3.352 0.199) 3.358 3.367 ( 0.000 -0.830 -1.614) 1.814 3.442 ( 0.000 -0.522 -5.400) 5.426 3.556 ( 0.000 -3.030 4.599) 5.507 3.644 ( 0.000 -5.717 -0.753) 5.767 3.711 ( 0.000 -7.148 -0.389) 7.159 3.725 ( 0.000 -6.699 -2.840) 7.276 3.730 ( 0.000 -0.365 2.927) 2.950 3.848 ( 0.000 -3.496 -2.596) 4.354 3.958 ( 0.000 4.311 -1.881) 4.703 4.101 ( 0.000 3.473 -1.630) 3.836 4.134 ( 0.000 7.432 -5.640) 9.330 4.141 ( 0.000 3.104 -1.885) 3.632 4.510 ( 0.000 3.234 -0.077) 3.235 4.549 ( 0.000 3.801 -2.131) 4.358 4.631 ( 0.000 -1.862 3.226) 3.724 4.699 ( 0.000 -5.839 -1.541) 6.039 4.755 ( 0.000 -3.249 3.503) 4.778 4.891 ( 0.000 6.229 1.178) 6.340 4.947 ( 0.000 3.706 -2.169) 4.294 4.948 ( 0.000 4.493 1.086) 4.622 5.077 ( 0.000 -5.333 9.371) 10.782 5.183 ( 0.000 0.618 1.771) 1.876 5.220 ( 0.000 0.252 -1.780) 1.798 5.416 ( 0.000 -8.940 -5.895) 10.709 5.477 ( 0.000 -2.294 0.732) 2.408 5.518 ( 0.000 -0.874 -2.799) 2.932 5.557 ( 0.000 -5.051 0.394) 5.066 5.645 ( 0.000 -2.240 4.768) 5.268 5.716 ( 0.000 2.414 -0.778) 2.536 5.772 ( 0.000 -6.743 0.472) 6.760 5.813 ( 0.000 -2.530 0.929) 2.695 5.985 ( 0.000 4.250 -3.353) 5.413 6.258 ( 0.000 1.330 -2.003) 2.404 6.265 ( 0.000 -3.975 -1.189) 4.149 6.408 ( 0.000 -1.169 5.767) 5.885 6.483 ( 0.000 -2.129 -1.687) 2.717 6.561 ( 0.000 -1.913 -3.169) 3.701 6.715 ( 0.000 -8.933 3.116) 9.461 6.755 ( 0.000 2.392 -6.758) 7.169 6.953 ( 0.000 -2.269 -5.509) 5.958 7.357 ( 0.000 2.012 2.160) 2.952 7.369 ( 0.000 2.355 -0.853) 2.505 7.414 ( 0.000 6.876 -2.916) 7.468 7.497 ( 0.000 0.318 -5.858) 5.867 7.596 ( 0.000 4.128 -1.978) 4.577 7.752 ( 0.000 1.944 -8.241) 8.467 7.833 ( 0.000 -4.431 3.503) 5.648 7.955 ( 0.000 -6.159 -3.575) 7.121 8.437 ( 0.000 3.138 2.370) 3.933 8.450 ( 0.000 3.315 2.101) 3.925 8.729 ( 0.000 -1.572 1.851) 2.428 8.795 ( 0.000 -3.079 -1.158) 3.290 9.390 ( 0.000 5.648 4.048) 6.949 9.559 ( 0.000 6.921 -3.319) 7.676 9.683 ( 0.000 1.142 3.093) 3.297 9.790 ( 0.000 5.617 -2.404) 6.110 10.077 ( 0.000 -0.113 1.515) 1.519 10.114 ( 0.000 3.943 0.558) 3.982 10.142 ( 0.000 0.711 -1.212) 1.406 10.217 ( 0.000 0.060 -4.743) 4.744 10.417 ( 0.000 3.559 -0.250) 3.567 10.448 ( 0.000 4.680 -1.970) 5.077 10.610 ( 0.000 1.686 1.096) 2.011 10.649 ( 0.000 -0.194 -1.369) 1.382 11.021 ( 0.000 -4.233 2.817) 5.084 11.056 ( 0.000 -3.009 1.153) 3.223 11.159 ( 0.000 -2.016 2.568) 3.265 11.212 ( 0.000 2.742 2.667) 3.825 11.259 ( 0.000 3.764 1.359) 4.002 11.347 ( 0.000 -10.075 -7.060) 12.302 11.755 ( 0.000 -4.737 12.680) 13.536 12.122 ( 0.000 -13.092 -5.319) 14.131 13.180 ( 0.000 6.918 1.445) 7.068 13.207 ( 0.000 7.020 -0.092) 7.021 13.527 ( 0.000 -2.366 1.873) 3.017 13.578 ( 0.000 -2.417 -0.598) 2.490 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 4.405 10.021 9.709) 14.632 1.495 ( 3.857 6.310 14.777) 16.524 1.660 ( -1.056 5.694 -3.716) 6.880 1.832 ( -2.516 2.470 5.255) 6.328 2.012 ( -6.298 -6.926 -0.835) 9.398 2.039 ( -5.493 -7.104 -3.999) 9.830 2.166 ( -0.763 4.298 -0.547) 4.400 2.195 ( 0.786 10.592 -0.188) 10.623 2.357 ( 1.732 7.554 6.611) 10.187 2.460 ( 0.255 1.883 4.167) 4.580 2.501 ( 3.287 1.468 6.766) 7.664 2.610 ( 6.965 9.003 -1.928) 11.545 2.769 ( -2.264 7.190 -4.121) 8.591 2.873 ( -2.287 6.061 -5.811) 8.703 2.887 ( 0.437 10.002 -4.996) 11.189 2.963 ( -0.085 7.929 -5.558) 9.683 3.150 ( -3.988 -3.095 -1.196) 5.188 3.188 ( -3.378 -2.556 0.628) 4.282 3.249 ( -1.571 -0.829 0.057) 1.778 3.332 ( -2.291 0.428 -2.170) 3.184 3.362 ( 3.124 2.256 1.581) 4.165 3.486 ( 2.053 0.038 -4.855) 5.271 3.540 ( -1.346 -0.579 4.277) 4.522 3.617 ( -0.209 -0.385 0.331) 0.550 3.711 ( -0.404 -4.411 1.957) 4.843 3.733 ( 0.680 -7.084 -1.741) 7.326 3.832 ( 6.850 -2.069 0.985) 7.223 3.918 ( 7.972 -3.679 -0.610) 8.801 3.958 ( 0.361 2.473 -1.713) 3.030 4.087 ( -1.519 4.263 -0.537) 4.558 4.114 ( -2.358 2.422 -1.324) 3.631 4.182 ( 4.484 3.415 -8.236) 9.979 4.515 ( 0.796 3.219 0.713) 3.392 4.528 ( -6.621 -1.779 1.206) 6.961 4.590 ( -0.662 -1.715 -0.356) 1.873 4.660 ( -3.244 -4.648 -1.621) 5.895 4.762 ( 0.711 -1.161 1.747) 2.215 4.833 ( -4.787 5.771 1.426) 7.632 4.922 ( -0.775 3.652 0.916) 3.844 4.953 ( -1.679 4.900 -1.975) 5.543 5.121 ( 3.756 -3.336 8.640) 9.994 5.199 ( 1.609 0.292 1.844) 2.465 5.233 ( 1.311 0.408 -1.061) 1.735 5.402 ( -2.053 -1.563 -2.225) 3.407 5.465 ( -1.803 -4.180 1.017) 4.664 5.533 ( 2.324 -3.157 -3.486) 5.246 5.548 ( -0.248 -6.958 -0.511) 6.981 5.666 ( 1.937 -1.418 2.970) 3.819 5.713 ( -0.055 -1.772 -1.053) 2.062 5.802 ( -1.189 -3.546 0.331) 3.755 5.819 ( 3.956 -1.275 -0.172) 4.160 5.969 ( -1.565 3.029 -3.220) 4.690 6.242 ( -0.582 -0.619 -0.308) 0.904 6.290 ( 1.343 0.039 -1.730) 2.190 6.384 ( -1.429 -1.699 3.849) 4.443 6.503 ( 1.346 -1.835 -0.878) 2.439 6.548 ( -1.267 -2.074 -2.895) 3.780 6.664 ( -7.349 2.168 -6.737) 10.202 6.753 ( 3.362 -8.124 4.835) 10.034 6.956 ( -0.463 -4.151 -4.739) 6.317 7.337 ( 0.108 3.532 0.996) 3.672 7.411 ( 0.091 7.173 -2.527) 7.606 7.444 ( 3.924 4.317 -2.568) 6.374 7.501 ( 0.629 -0.106 -4.477) 4.522 7.609 ( 1.451 2.681 -2.875) 4.190 7.701 ( -3.867 0.728 -6.087) 7.248 7.851 ( 0.975 -4.898 1.361) 5.177 7.935 ( -1.902 -7.032 -2.919) 7.848 8.469 ( 2.642 3.771 2.496) 5.238 8.486 ( 3.942 2.762 1.666) 5.093 8.695 ( -3.156 -0.803 2.292) 3.983 8.773 ( -2.497 -2.521 -1.477) 3.844 9.394 ( 0.488 5.677 3.344) 6.607 9.528 ( -3.030 6.638 -2.703) 7.781 9.689 ( 0.643 1.466 2.188) 2.711 9.771 ( -1.767 5.110 -1.976) 5.756 10.094 ( 1.343 1.013 2.089) 2.682 10.111 ( 0.315 3.432 1.993) 3.981 10.187 ( 3.442 -1.434 -2.334) 4.399 10.233 ( 1.844 0.259 -4.478) 4.850 10.442 ( 2.506 2.699 -0.630) 3.736 10.461 ( 1.106 3.948 -1.700) 4.439 10.603 ( -0.581 1.615 0.515) 1.792 10.633 ( -1.686 -0.164 -1.329) 2.153 10.984 ( -3.124 -1.452 3.040) 4.594 11.069 ( 0.687 -3.683 0.277) 3.757 11.123 ( -4.137 -0.886 0.885) 4.323 11.143 ( -5.324 -0.179 0.143) 5.329 11.272 ( 4.060 1.305 4.187) 5.976 11.411 ( 2.443 -1.386 -2.784) 3.954 11.792 ( 4.082 -8.406 9.545) 13.358 12.092 ( -3.131 -13.327 -4.384) 14.374 13.185 ( 0.503 6.882 1.312) 7.023 13.207 ( -0.039 6.975 0.071) 6.976 13.533 ( 0.611 -2.402 1.626) 2.964 13.574 ( -0.408 -2.438 -0.369) 2.499 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 6.663 5.516 7.216) 11.264 1.578 ( 1.645 5.253 6.323) 8.383 1.623 ( 0.093 5.657 7.695) 9.551 1.733 ( -7.252 5.952 9.717) 13.507 1.945 ( -0.979 -9.609 -2.727) 10.036 1.962 ( -2.627 -10.531 -3.370) 11.365 2.160 ( 0.626 12.097 -3.519) 12.614 2.185 ( -1.497 13.065 -2.458) 13.378 2.397 ( 2.537 2.325 7.509) 8.259 2.441 ( -1.911 0.211 6.698) 6.968 2.592 ( 5.822 5.448 1.318) 8.081 2.696 ( -4.241 9.461 -2.444) 10.652 2.737 ( 4.716 5.174 -4.547) 8.348 2.816 ( -3.337 4.960 -5.043) 7.821 2.912 ( 1.509 9.290 -2.119) 9.647 2.943 ( -1.716 7.846 -2.689) 8.470 3.101 ( -0.593 -4.395 -5.182) 6.820 3.126 ( -2.896 -4.978 -4.098) 7.068 3.246 ( 1.404 -0.166 1.023) 1.745 3.286 ( -2.498 -0.088 -0.181) 2.506 3.422 ( 3.158 0.937 1.837) 3.772 3.476 ( -2.579 -1.090 1.790) 3.323 3.557 ( 2.955 6.413 -2.005) 7.341 3.604 ( -1.599 6.092 -2.450) 6.758 3.708 ( 0.319 -4.791 2.638) 5.479 3.727 ( -1.287 -6.238 0.429) 6.384 3.962 ( 4.963 1.077 2.504) 5.662 3.988 ( 3.200 -0.729 -1.831) 3.758 4.026 ( -0.351 0.117 1.460) 1.507 4.063 ( -2.368 0.944 0.133) 2.552 4.120 ( 8.330 -0.968 -2.086) 8.642 4.263 ( 0.871 0.441 -3.211) 3.356 4.368 ( -5.321 -6.986 -2.251) 9.066 4.460 ( -7.864 -5.180 -3.315) 9.984 4.594 ( 4.012 2.670 2.007) 5.220 4.663 ( -0.471 -6.156 -0.719) 6.216 4.744 ( -1.655 11.488 0.146) 11.608 4.767 ( -1.720 0.653 -0.283) 1.862 4.912 ( -0.305 3.150 -0.007) 3.165 4.918 ( -1.265 3.985 -0.951) 4.288 5.183 ( 2.745 0.153 6.381) 6.948 5.216 ( -0.538 0.798 3.254) 3.394 5.277 ( 3.620 0.237 0.601) 3.677 5.348 ( -3.611 0.679 -0.249) 3.682 5.447 ( 0.809 -4.557 1.881) 4.996 5.491 ( -3.291 -4.897 1.364) 6.055 5.636 ( 5.373 -5.322 -6.490) 9.965 5.691 ( -0.202 -1.039 -2.517) 2.730 5.720 ( 1.175 -2.848 1.533) 3.442 5.764 ( -2.940 -3.739 0.884) 4.838 5.889 ( 3.219 -0.112 -2.289) 3.952 5.935 ( -1.965 0.793 -2.928) 3.615 6.246 ( 1.178 0.770 1.861) 2.333 6.282 ( -2.134 2.648 2.421) 4.174 6.403 ( 3.814 -1.706 -2.706) 4.978 6.499 ( -5.261 0.595 -5.644) 7.738 6.523 ( 0.836 -2.395 -0.093) 2.538 6.549 ( -2.828 -0.839 -0.400) 2.976 6.836 ( 5.035 -7.892 2.232) 9.624 6.920 ( -3.551 -6.595 -1.196) 7.585 7.361 ( 2.301 5.559 -0.280) 6.023 7.403 ( -1.499 7.763 -1.334) 8.018 7.475 ( 1.210 5.013 -5.766) 7.736 7.511 ( -1.526 3.214 -5.370) 6.441 7.640 ( 1.918 0.293 -2.780) 3.390 7.663 ( -0.417 -0.489 -4.372) 4.419 7.865 ( 0.911 -7.591 0.142) 7.647 7.895 ( -2.225 -8.360 -1.525) 8.785 8.527 ( 3.366 3.793 3.201) 5.997 8.561 ( 2.001 3.476 2.184) 4.567 8.644 ( -0.413 -0.607 0.852) 1.125 8.705 ( -4.512 -1.258 -1.442) 4.901 9.415 ( 1.909 5.758 1.416) 6.229 9.465 ( -3.356 6.082 -0.921) 7.007 9.706 ( 1.252 2.450 0.463) 2.790 9.735 ( -1.846 3.835 -0.997) 4.371 10.114 ( 0.731 2.777 2.494) 3.804 10.119 ( 0.217 3.489 2.576) 4.342 10.244 ( 2.615 -3.590 -2.039) 4.887 10.268 ( 0.667 -2.629 -2.933) 3.995 10.483 ( 1.355 3.260 -1.966) 4.041 10.489 ( 1.558 1.799 -2.040) 3.135 10.594 ( -0.445 0.709 -0.258) 0.875 10.598 ( -1.307 -0.094 -0.730) 1.500 10.942 ( -0.387 1.984 1.890) 2.768 10.992 ( -5.559 1.413 0.121) 5.737 11.094 ( 0.926 -2.503 0.984) 2.844 11.111 ( -0.936 -2.292 0.452) 2.516 11.349 ( 4.018 2.298 4.136) 6.207 11.410 ( -2.177 2.504 1.751) 3.752 11.895 ( 6.443 -12.616 3.115) 14.505 12.010 ( -5.605 -13.592 -1.625) 14.792 13.196 ( 0.572 6.851 0.951) 6.940 13.204 ( -0.302 6.894 0.479) 6.917 13.547 ( 0.886 -2.459 0.995) 2.797 13.563 ( -0.759 -2.469 0.236) 2.594 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 8.488 7.146) 11.096 1.609 ( 0.000 13.338 5.983) 14.618 1.806 ( 0.000 -6.217 -0.061) 6.218 1.819 ( 0.000 8.221 -2.536) 8.603 1.924 ( 0.000 -13.809 3.721) 14.302 1.983 ( 0.000 -7.883 0.370) 7.892 2.048 ( 0.000 -0.225 1.669) 1.684 2.117 ( 0.000 -5.016 -1.552) 5.251 2.469 ( 0.000 1.743 7.816) 8.008 2.487 ( 0.000 0.939 8.386) 8.438 2.731 ( 0.000 11.753 -1.112) 11.805 2.776 ( 0.000 9.404 -5.136) 10.715 2.949 ( 0.000 6.618 -6.987) 9.623 2.968 ( 0.000 2.776 -12.356) 12.664 3.105 ( 0.000 6.108 -3.885) 7.239 3.111 ( 0.000 0.703 -2.034) 2.152 3.223 ( 0.000 7.203 1.672) 7.395 3.240 ( 0.000 4.461 3.699) 5.795 3.313 ( 0.000 2.618 2.645) 3.722 3.333 ( 0.000 1.811 4.025) 4.414 3.428 ( 0.000 -1.731 -0.431) 1.784 3.441 ( 0.000 0.722 -2.083) 2.205 3.447 ( 0.000 -3.653 0.908) 3.765 3.503 ( 0.000 -5.909 -1.749) 6.162 3.592 ( 0.000 -2.483 -1.565) 2.935 3.601 ( 0.000 -4.734 -2.191) 5.217 3.653 ( 0.000 -6.258 0.692) 6.296 3.703 ( 0.000 -9.391 -2.265) 9.660 4.104 ( 0.000 8.482 -3.340) 9.116 4.171 ( 0.000 2.555 -3.001) 3.941 4.207 ( 0.000 2.400 -1.789) 2.994 4.233 ( 0.000 1.124 -5.426) 5.541 4.494 ( 0.000 -2.508 2.308) 3.408 4.532 ( 0.000 -4.733 -0.445) 4.754 4.600 ( 0.000 -0.192 1.675) 1.686 4.625 ( 0.000 -0.348 -0.211) 0.407 4.765 ( 0.000 5.235 8.404) 9.902 4.918 ( 0.000 -7.947 8.287) 11.481 5.015 ( 0.000 1.782 -0.630) 1.890 5.036 ( 0.000 2.547 2.273) 3.414 5.110 ( 0.000 8.775 -0.823) 8.813 5.180 ( 0.000 -4.120 -1.571) 4.409 5.226 ( 0.000 5.637 0.475) 5.657 5.293 ( 0.000 -1.138 -0.721) 1.348 5.369 ( 0.000 -4.832 0.197) 4.836 5.458 ( 0.000 -7.991 -4.611) 9.226 5.551 ( 0.000 1.359 -1.487) 2.015 5.592 ( 0.000 -4.600 -2.230) 5.112 5.622 ( 0.000 -0.238 1.701) 1.718 5.657 ( 0.000 -3.960 2.100) 4.483 5.915 ( 0.000 5.382 4.047) 6.734 5.989 ( 0.000 -2.388 0.394) 2.421 6.258 ( 0.000 3.460 -0.010) 3.460 6.330 ( 0.000 1.884 -1.074) 2.168 6.411 ( 0.000 -2.350 -4.633) 5.195 6.426 ( 0.000 2.373 4.797) 5.352 6.496 ( 0.000 -3.691 -3.495) 5.083 6.549 ( 0.000 -7.021 6.041) 9.262 6.813 ( 0.000 3.514 -9.664) 10.283 6.890 ( 0.000 -3.847 -8.464) 9.297 7.381 ( 0.000 0.520 1.189) 1.298 7.384 ( 0.000 0.100 0.941) 0.947 7.511 ( 0.000 2.443 -4.941) 5.512 7.521 ( 0.000 0.935 -5.643) 5.720 7.691 ( 0.000 5.356 -1.703) 5.621 7.772 ( 0.000 -0.801 -5.125) 5.187 7.795 ( 0.000 0.238 0.323) 0.401 7.838 ( 0.000 -4.982 -2.230) 5.458 8.477 ( 0.000 1.100 2.164) 2.428 8.485 ( 0.000 0.397 1.953) 1.993 8.722 ( 0.000 0.743 0.616) 0.966 8.748 ( 0.000 -1.756 -0.544) 1.838 9.527 ( 0.000 7.266 4.578) 8.588 9.645 ( 0.000 -3.436 3.771) 5.102 9.738 ( 0.000 8.026 -2.750) 8.484 9.849 ( 0.000 -1.182 -3.610) 3.799 10.087 ( 0.000 1.063 -0.700) 1.273 10.109 ( 0.000 -1.646 -1.490) 2.220 10.167 ( 0.000 1.682 -1.553) 2.289 10.204 ( 0.000 -1.852 -3.594) 4.043 10.486 ( 0.000 2.923 -0.096) 2.925 10.513 ( 0.000 0.901 -1.258) 1.547 10.646 ( 0.000 1.411 -1.600) 2.133 10.652 ( 0.000 0.523 -2.720) 2.770 10.954 ( 0.000 -1.178 1.566) 1.959 10.990 ( 0.000 -3.530 0.126) 3.532 11.127 ( 0.000 -0.485 2.333) 2.383 11.172 ( 0.000 -5.855 -0.679) 5.894 11.277 ( 0.000 3.497 4.983) 6.088 11.318 ( 0.000 0.566 4.428) 4.464 11.719 ( 0.000 2.739 4.805) 5.531 11.870 ( 0.000 -11.224 -1.562) 11.333 13.325 ( 0.000 7.030 1.494) 7.187 13.358 ( 0.000 7.204 -0.244) 7.208 13.457 ( 0.000 -4.439 1.832) 4.803 13.501 ( 0.000 -5.309 -0.394) 5.323 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.20 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -1.061 8.434 6.684) 10.813 1.674 ( 2.505 6.475 3.088) 7.599 1.774 ( -4.407 4.991 0.753) 6.700 1.790 ( -0.499 -4.637 1.393) 4.868 1.879 ( -5.608 -6.001 1.535) 8.356 1.951 ( 0.688 -0.164 -0.044) 0.709 2.068 ( 1.793 -4.810 4.537) 6.851 2.177 ( 2.818 -8.028 -0.964) 8.562 2.501 ( 2.334 2.888 6.736) 7.692 2.512 ( 3.785 1.241 6.731) 7.822 2.680 ( -3.712 13.161 0.027) 13.674 2.799 ( 0.413 3.631 -4.250) 5.605 2.921 ( -2.161 6.252 -5.919) 8.876 2.958 ( -1.484 4.409 -10.475) 11.462 3.048 ( -4.137 -0.452 -4.248) 5.947 3.089 ( -3.775 -2.049 -4.944) 6.550 3.195 ( -2.693 7.538 -0.067) 8.005 3.197 ( -1.686 11.110 -0.365) 11.243 3.270 ( -1.233 2.561 2.270) 3.638 3.370 ( -1.073 -3.848 -1.236) 4.182 3.387 ( -0.702 5.864 0.569) 5.933 3.446 ( 0.587 -3.262 1.271) 3.550 3.500 ( 4.195 -4.457 1.830) 6.388 3.520 ( 2.348 -8.232 1.499) 8.691 3.653 ( 4.780 1.972 -1.728) 5.451 3.656 ( 4.956 0.806 -1.918) 5.375 3.746 ( 7.134 -6.233 0.389) 9.482 3.791 ( 9.245 -8.644 -0.690) 12.676 4.064 ( -3.463 7.869 -1.783) 8.780 4.158 ( -2.881 0.407 -1.635) 3.338 4.181 ( -1.868 3.978 -1.525) 4.652 4.226 ( 0.147 0.222 -6.905) 6.910 4.461 ( -6.386 -3.678 2.543) 7.796 4.485 ( -2.677 -4.269 0.836) 5.108 4.548 ( -3.650 -0.112 -0.140) 3.654 4.584 ( -4.041 -2.562 -0.848) 4.859 4.793 ( 2.745 5.721 7.282) 9.659 4.935 ( 1.130 -5.893 6.542) 8.877 4.989 ( -2.651 3.534 2.017) 4.857 5.009 ( -1.751 2.731 0.082) 3.245 5.151 ( 3.705 6.017 0.721) 7.103 5.220 ( 3.221 -2.306 -1.101) 4.111 5.238 ( 1.595 5.422 1.339) 5.808 5.338 ( 3.921 -1.221 -1.749) 4.464 5.374 ( 0.409 -4.114 1.167) 4.296 5.461 ( -0.124 -6.025 -2.995) 6.729 5.502 ( -3.718 1.032 -1.430) 4.115 5.569 ( -1.639 -7.490 -4.233) 8.758 5.657 ( 3.225 0.605 1.828) 3.756 5.693 ( 2.789 -3.269 1.430) 4.529 5.902 ( -1.664 3.324 2.574) 4.521 5.957 ( -3.277 -2.509 -0.053) 4.128 6.270 ( 1.491 4.280 0.829) 4.607 6.353 ( 2.032 -0.071 -0.082) 2.035 6.410 ( 0.952 4.780 -1.986) 5.263 6.445 ( 0.304 -0.379 2.535) 2.581 6.484 ( -0.772 -3.948 -2.905) 4.962 6.575 ( 3.088 -8.409 3.724) 9.701 6.749 ( -6.061 5.047 -7.642) 10.982 6.859 ( -3.327 -5.475 -6.954) 9.455 7.400 ( 2.676 2.816 0.665) 3.942 7.447 ( 5.275 -1.741 -0.292) 5.562 7.523 ( 1.506 3.223 -5.126) 6.240 7.546 ( 2.155 1.424 -4.978) 5.608 7.669 ( -2.304 4.114 -2.135) 5.176 7.724 ( -3.907 1.742 -3.196) 5.340 7.787 ( -2.187 -2.348 -1.908) 3.733 7.800 ( -3.125 -6.029 -2.396) 7.201 8.514 ( 2.986 0.937 1.897) 3.660 8.517 ( 3.666 0.595 1.731) 4.097 8.700 ( -2.194 1.163 0.964) 2.664 8.731 ( -1.896 -1.786 -0.506) 2.653 9.535 ( 0.969 7.624 3.543) 8.463 9.654 ( 0.738 -1.893 1.724) 2.665 9.706 ( -2.853 6.508 -1.394) 7.242 9.818 ( -2.958 -1.753 -3.118) 4.642 10.106 ( 1.735 0.912 -0.303) 1.984 10.124 ( 1.591 -0.901 -0.797) 1.995 10.174 ( 0.499 0.785 -1.504) 1.768 10.212 ( 0.519 -2.405 -3.240) 4.069 10.498 ( 1.333 2.537 -0.304) 2.882 10.521 ( 0.831 1.011 -1.267) 1.822 10.630 ( -1.806 0.813 -1.954) 2.782 10.635 ( -1.558 0.446 -1.821) 2.438 10.961 ( 0.814 -0.057 1.712) 1.896 10.997 ( 0.741 -3.177 0.194) 3.269 11.101 ( -2.360 -0.335 2.169) 3.223 11.120 ( -3.754 -1.875 1.476) 4.448 11.328 ( 4.851 4.159 4.636) 7.895 11.402 ( 6.724 -1.647 1.491) 7.082 11.691 ( -2.735 0.907 5.007) 5.777 11.835 ( -3.707 -11.489 -1.209) 12.133 13.330 ( 0.558 7.119 1.352) 7.268 13.358 ( -0.064 7.379 -0.080) 7.380 13.461 ( 0.428 -4.738 1.621) 5.026 13.497 ( -0.424 -5.320 -0.203) 5.341 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.40 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 3.021 5.056 5.086) 7.782 1.653 ( -4.947 3.385 1.897) 6.287 1.711 ( 0.286 -6.665 0.845) 6.725 1.756 ( -4.148 -6.432 -1.256) 7.756 1.866 ( 4.399 9.908 6.752) 12.771 1.941 ( -2.748 10.986 3.468) 11.844 2.117 ( 3.671 -10.835 3.003) 11.828 2.180 ( -2.300 -10.198 0.737) 10.479 2.549 ( 3.041 7.943 4.889) 9.810 2.610 ( -2.709 11.639 2.844) 12.284 2.623 ( 6.400 0.219 2.803) 6.990 2.753 ( -5.737 -1.700 -0.409) 5.997 2.896 ( 0.047 6.177 -5.760) 8.446 2.919 ( -2.069 5.151 -7.996) 9.734 2.995 ( -0.894 -4.683 -7.908) 9.234 3.016 ( -3.024 -4.896 -6.381) 8.593 3.166 ( -0.286 10.329 -2.649) 10.667 3.175 ( -0.968 11.193 -2.975) 11.622 3.276 ( 1.551 1.212 -0.496) 2.030 3.319 ( -2.837 -0.355 -2.639) 3.891 3.418 ( 2.205 2.286 2.806) 4.238 3.448 ( -0.679 0.636 2.491) 2.659 3.557 ( 2.042 -7.580 2.465) 8.228 3.566 ( 1.355 -8.510 2.939) 9.104 3.719 ( 3.518 7.371 -1.745) 8.352 3.750 ( 1.996 7.438 -3.160) 8.324 3.885 ( 6.358 -7.397 0.120) 9.755 3.939 ( 3.210 -8.998 -2.306) 9.828 4.032 ( 2.071 5.689 2.211) 6.445 4.090 ( -2.700 1.784 1.596) 3.609 4.144 ( -0.542 1.380 -0.619) 1.606 4.231 ( -3.767 -7.130 -3.813) 8.920 4.329 ( -1.880 6.214 0.013) 6.492 4.408 ( -6.285 1.331 -2.016) 6.733 4.498 ( -0.422 -8.347 -0.351) 8.365 4.522 ( -2.543 -6.984 -1.222) 7.532 4.853 ( 3.518 6.043 5.404) 8.838 4.919 ( -3.371 5.203 4.099) 7.432 4.962 ( 0.709 -2.164 3.258) 3.975 4.982 ( -1.275 0.857 0.839) 1.750 5.227 ( 3.805 5.309 2.530) 7.005 5.259 ( 0.605 5.144 2.781) 5.879 5.292 ( 3.703 0.632 -0.370) 3.775 5.362 ( -2.777 -1.836 0.824) 3.430 5.386 ( 1.185 1.377 -1.695) 2.484 5.425 ( -2.829 -1.029 -0.745) 3.101 5.492 ( 2.835 -7.741 -3.276) 8.871 5.541 ( -1.847 -10.422 -4.523) 11.510 5.726 ( 3.807 2.271 0.758) 4.497 5.749 ( 2.592 0.964 0.974) 2.932 5.855 ( -2.450 -2.272 -0.052) 3.342 5.882 ( -4.250 -4.065 -0.644) 5.916 6.315 ( 3.145 5.157 2.216) 6.434 6.367 ( -1.533 3.149 2.713) 4.430 6.433 ( 0.276 -3.104 1.507) 3.462 6.443 ( 0.249 -0.805 -2.757) 2.883 6.500 ( 4.125 3.548 -2.012) 5.801 6.616 ( -6.894 6.709 -5.519) 11.090 6.665 ( 5.328 -8.795 0.418) 10.291 6.773 ( -5.632 -7.909 -3.510) 10.324 7.469 ( 4.535 5.229 -0.307) 6.928 7.540 ( 0.628 2.440 -1.491) 2.927 7.563 ( 2.346 4.287 -3.358) 5.929 7.568 ( 2.160 2.326 -3.624) 4.818 7.635 ( -0.775 -1.583 -3.918) 4.296 7.650 ( -3.607 2.697 -3.940) 5.984 7.723 ( -2.232 -7.222 -1.804) 7.772 7.748 ( -3.093 -5.735 -3.740) 7.513 8.579 ( 3.729 1.681 1.885) 4.504 8.597 ( 4.379 0.066 0.891) 4.469 8.649 ( -3.088 1.262 1.337) 3.594 8.679 ( -3.619 -1.462 -0.158) 3.907 9.566 ( 2.444 8.333 1.128) 8.757 9.624 ( -3.533 8.563 -1.574) 9.396 9.701 ( 2.258 -3.671 1.085) 4.445 9.756 ( -3.460 -2.939 -1.525) 4.789 10.139 ( 1.589 1.109 0.212) 1.950 10.153 ( 0.636 0.969 0.358) 1.213 10.184 ( 1.066 -1.994 -1.896) 2.951 10.209 ( -0.973 -3.090 -2.320) 3.985 10.532 ( 2.017 2.097 -1.047) 3.093 10.543 ( 1.303 1.897 -1.497) 2.746 10.591 ( -1.836 -0.312 -1.177) 2.203 10.600 ( -2.067 -0.410 -1.217) 2.433 10.986 ( 1.784 2.153 1.869) 3.364 11.010 ( 0.112 0.051 0.842) 0.851 11.055 ( -1.704 -0.999 2.029) 2.832 11.066 ( -2.038 -1.883 1.696) 3.252 11.433 ( 5.872 6.398 3.575) 9.391 11.499 ( 1.152 5.504 0.454) 5.641 11.654 ( 1.118 -9.352 4.106) 10.274 11.741 ( -6.006 -12.307 0.108) 13.695 13.343 ( 0.700 7.347 0.949) 7.441 13.353 ( -0.413 7.517 0.390) 7.539 13.472 ( 0.749 -5.172 1.031) 5.326 13.486 ( -0.732 -5.321 0.323) 5.381 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 0.000 -12.424) 12.424 1.310 ( 0.000 0.000 12.424) 12.424 1.495 ( 0.000 0.000 -10.077) 10.077 1.495 ( 0.000 0.000 10.077) 10.077 1.922 ( 0.000 0.000 -0.537) 0.537 1.922 ( 0.000 0.000 0.537) 0.537 2.202 ( 0.000 0.000 -4.832) 4.832 2.202 ( 0.000 0.000 4.832) 4.832 2.388 ( 0.000 0.000 -6.385) 6.385 2.388 ( 0.000 0.000 6.385) 6.385 2.449 ( 0.000 0.000 -5.009) 5.009 2.449 ( 0.000 0.000 5.009) 5.009 2.573 ( 0.000 0.000 -13.482) 13.482 2.573 ( 0.000 0.000 13.482) 13.482 2.966 ( 0.000 0.000 -5.727) 5.727 2.966 ( 0.000 0.000 5.727) 5.727 3.132 ( 0.000 0.000 -0.004) 0.004 3.132 ( 0.000 0.000 0.004) 0.004 3.341 ( 0.000 0.000 -5.730) 5.730 3.341 ( 0.000 0.000 5.730) 5.730 3.419 ( 0.000 0.000 -1.508) 1.508 3.419 ( 0.000 0.000 1.508) 1.508 3.629 ( 0.000 0.000 -4.011) 4.011 3.629 ( 0.000 0.000 4.011) 4.011 3.733 ( 0.000 0.000 -0.809) 0.809 3.733 ( 0.000 0.000 0.809) 0.809 3.874 ( 0.000 0.000 -1.473) 1.473 3.874 ( 0.000 0.000 1.473) 1.473 3.958 ( 0.000 0.000 -0.937) 0.937 3.958 ( 0.000 0.000 0.937) 0.937 4.048 ( 0.000 0.000 -2.146) 2.146 4.048 ( 0.000 0.000 2.146) 2.146 4.279 ( 0.000 0.000 -2.827) 2.827 4.279 ( 0.000 0.000 2.827) 2.827 4.781 ( 0.000 0.000 -1.747) 1.747 4.781 ( 0.000 0.000 1.747) 1.747 4.816 ( 0.000 0.000 -3.525) 3.525 4.816 ( 0.000 0.000 3.525) 3.525 4.895 ( 0.000 0.000 -1.330) 1.330 4.895 ( 0.000 0.000 1.330) 1.330 5.166 ( 0.000 0.000 -1.695) 1.695 5.166 ( 0.000 0.000 1.695) 1.695 5.434 ( 0.000 0.000 -10.848) 10.848 5.434 ( 0.000 0.000 10.848) 10.848 5.532 ( 0.000 0.000 -1.878) 1.878 5.532 ( 0.000 0.000 1.878) 1.878 5.537 ( 0.000 0.000 -6.116) 6.116 5.537 ( 0.000 0.000 6.116) 6.116 5.840 ( 0.000 0.000 -5.509) 5.509 5.840 ( 0.000 0.000 5.509) 5.509 5.888 ( 0.000 0.000 -4.774) 4.774 5.888 ( 0.000 0.000 4.774) 4.774 6.463 ( 0.000 0.000 -2.886) 2.886 6.463 ( 0.000 0.000 2.886) 2.886 6.482 ( 0.000 0.000 -0.151) 0.151 6.482 ( 0.000 0.000 0.151) 0.151 6.591 ( 0.000 0.000 -2.718) 2.718 6.591 ( 0.000 0.000 2.718) 2.718 6.992 ( 0.000 0.000 -2.668) 2.668 6.992 ( 0.000 0.000 2.668) 2.668 7.117 ( 0.000 0.000 -4.046) 4.046 7.117 ( 0.000 0.000 4.046) 4.046 7.459 ( 0.000 0.000 -9.081) 9.081 7.459 ( 0.000 0.000 9.081) 9.081 7.506 ( 0.000 0.000 -2.732) 2.732 7.506 ( 0.000 0.000 2.732) 2.732 8.153 ( 0.000 0.000 -1.995) 1.995 8.153 ( 0.000 0.000 1.995) 1.995 8.285 ( 0.000 0.000 -0.498) 0.498 8.285 ( 0.000 0.000 0.498) 0.498 8.858 ( 0.000 0.000 -3.243) 3.243 8.858 ( 0.000 0.000 3.243) 3.243 9.400 ( 0.000 0.000 -4.563) 4.563 9.400 ( 0.000 0.000 4.563) 4.563 9.609 ( 0.000 0.000 -0.092) 0.092 9.609 ( 0.000 0.000 0.092) 0.092 9.947 ( 0.000 0.000 -0.382) 0.382 9.947 ( 0.000 0.000 0.382) 0.382 10.178 ( 0.000 0.000 -4.193) 4.193 10.178 ( 0.000 0.000 4.193) 4.193 10.329 ( 0.000 0.000 -0.444) 0.444 10.329 ( 0.000 0.000 0.444) 0.444 10.621 ( 0.000 0.000 -1.824) 1.824 10.621 ( 0.000 0.000 1.824) 1.824 11.144 ( 0.000 0.000 -1.142) 1.142 11.144 ( 0.000 0.000 1.142) 1.142 11.161 ( 0.000 0.000 -1.332) 1.332 11.161 ( 0.000 0.000 1.332) 1.332 11.371 ( 0.000 0.000 -9.560) 9.560 11.371 ( 0.000 0.000 9.560) 9.560 12.206 ( 0.000 0.000 -14.810) 14.810 12.206 ( 0.000 0.000 14.810) 14.810 13.054 ( 0.000 0.000 -0.814) 0.814 13.054 ( 0.000 0.000 0.814) 0.814 13.591 ( 0.000 0.000 -1.388) 1.388 13.591 ( 0.000 0.000 1.388) 1.388 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 3.957 0.000 -10.758) 11.463 1.353 ( 3.957 0.000 10.758) 11.463 1.503 ( 0.740 0.000 -8.232) 8.265 1.503 ( 0.740 0.000 8.232) 8.265 1.948 ( 2.746 0.000 -2.527) 3.731 1.948 ( 2.746 0.000 2.527) 3.731 2.214 ( 1.301 0.000 -5.023) 5.188 2.214 ( 1.301 0.000 5.023) 5.188 2.363 ( -2.528 0.000 -6.238) 6.730 2.363 ( -2.528 0.000 6.238) 6.730 2.382 ( -6.776 0.000 -6.073) 9.099 2.382 ( -6.776 0.000 6.073) 9.099 2.546 ( -1.551 0.000 -8.297) 8.441 2.546 ( -1.551 0.000 8.297) 8.441 3.030 ( 5.190 0.000 -6.077) 7.992 3.030 ( 5.190 0.000 6.077) 7.992 3.160 ( 2.998 0.000 -0.356) 3.019 3.160 ( 2.998 0.000 0.356) 3.019 3.288 ( -4.762 0.000 -5.980) 7.644 3.288 ( -4.762 0.000 5.980) 7.644 3.406 ( -1.819 0.000 -1.300) 2.236 3.406 ( -1.819 0.000 1.300) 2.236 3.557 ( -4.584 0.000 -2.817) 5.380 3.557 ( -4.584 0.000 2.817) 5.380 3.807 ( 5.172 0.000 -0.551) 5.201 3.807 ( 5.172 0.000 0.551) 5.201 3.861 ( -0.225 0.000 -2.325) 2.336 3.861 ( -0.225 0.000 2.326) 2.336 4.031 ( -1.715 0.000 -2.554) 3.076 4.031 ( -1.715 0.000 2.554) 3.076 4.074 ( 10.245 0.000 -2.993) 10.674 4.074 ( 10.245 0.000 2.993) 10.674 4.287 ( 0.628 0.000 -3.197) 3.258 4.287 ( 0.628 0.000 3.197) 3.258 4.753 ( -3.398 0.000 -1.719) 3.808 4.753 ( -3.398 0.000 1.719) 3.808 4.816 ( -0.017 0.000 -2.950) 2.950 4.816 ( -0.017 0.000 2.950) 2.950 4.839 ( -5.204 0.000 -2.166) 5.636 4.839 ( -5.204 0.000 2.166) 5.636 5.188 ( 2.171 0.000 -1.746) 2.786 5.188 ( 2.171 0.000 1.746) 2.786 5.388 ( -3.213 0.000 -6.079) 6.876 5.388 ( -3.213 0.000 6.079) 6.876 5.539 ( 0.169 0.000 -5.049) 5.052 5.539 ( 0.169 0.000 5.049) 5.052 5.582 ( 3.681 0.000 -2.744) 4.591 5.582 ( 3.681 0.000 2.744) 4.591 5.834 ( -0.492 0.000 -4.563) 4.590 5.834 ( -0.492 0.000 4.563) 4.590 5.854 ( -3.369 0.000 -4.890) 5.938 5.854 ( -3.369 0.000 4.890) 5.938 6.440 ( -3.396 0.000 -0.963) 3.530 6.440 ( -3.396 0.000 0.963) 3.530 6.478 ( 1.381 0.000 -2.715) 3.046 6.478 ( 1.381 0.000 2.715) 3.046 6.586 ( -0.451 0.000 -2.564) 2.604 6.586 ( -0.451 0.000 2.564) 2.604 7.016 ( 1.961 0.000 -2.293) 3.017 7.016 ( 1.961 0.000 2.293) 3.017 7.138 ( 2.215 0.000 -4.300) 4.837 7.138 ( 2.215 0.000 4.300) 4.837 7.419 ( -3.960 0.000 -8.262) 9.162 7.419 ( -3.960 0.000 8.262) 9.162 7.535 ( 2.595 0.000 -2.504) 3.607 7.535 ( 2.595 0.000 2.504) 3.607 8.165 ( 1.065 0.000 -1.492) 1.833 8.165 ( 1.065 0.000 1.492) 1.833 8.316 ( 3.217 0.000 -1.284) 3.464 8.316 ( 3.217 0.000 1.284) 3.464 8.804 ( -5.209 0.000 -3.281) 6.156 8.804 ( -5.209 0.000 3.281) 6.156 9.405 ( 0.339 0.000 -3.638) 3.654 9.405 ( 0.339 0.000 3.638) 3.654 9.610 ( 0.068 0.000 -0.079) 0.105 9.610 ( 0.068 0.000 0.079) 0.105 9.946 ( -0.018 0.000 -0.311) 0.311 9.946 ( -0.018 0.000 0.311) 0.311 10.225 ( 4.749 0.000 -2.298) 5.276 10.225 ( 4.749 0.000 2.298) 5.276 10.367 ( 3.558 0.000 -0.666) 3.620 10.367 ( 3.558 0.000 0.666) 3.620 10.604 ( -1.612 0.000 -1.568) 2.249 10.604 ( -1.612 0.000 1.568) 2.249 11.079 ( -7.634 0.000 -2.962) 8.189 11.079 ( -7.634 0.000 2.962) 8.189 11.143 ( -0.014 0.000 -0.924) 0.924 11.143 ( -0.014 0.000 0.924) 0.924 11.384 ( 0.894 0.000 -6.297) 6.360 11.384 ( 0.894 0.000 6.297) 6.360 12.225 ( 1.676 0.000 -11.567) 11.688 12.225 ( 1.676 0.000 11.567) 11.688 13.058 ( 0.352 0.000 -0.647) 0.737 13.058 ( 0.352 0.000 0.647) 0.737 13.593 ( 0.178 0.000 -1.124) 1.138 13.593 ( 0.178 0.000 1.124) 1.138 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.360 0.000 -4.656) 5.220 1.420 ( 2.360 0.000 4.656) 5.220 1.516 ( 0.471 0.000 -3.198) 3.233 1.516 ( 0.471 0.000 3.198) 3.233 2.014 ( 3.496 0.000 -3.105) 4.676 2.014 ( 3.496 0.000 3.105) 4.676 2.250 ( 2.575 0.000 -5.449) 6.027 2.250 ( 2.575 0.000 5.449) 6.027 2.251 ( -5.579 0.000 -4.579) 7.218 2.251 ( -5.579 0.000 4.579) 7.218 2.306 ( -3.326 0.000 -5.890) 6.764 2.306 ( -3.326 0.000 5.890) 6.764 2.528 ( -0.478 0.000 -2.351) 2.399 2.528 ( -0.478 0.000 2.351) 2.399 3.117 ( 3.920 0.000 -5.229) 6.535 3.117 ( 3.920 0.000 5.229) 6.535 3.200 ( -4.189 0.000 -5.353) 6.797 3.200 ( -4.189 0.000 5.353) 6.797 3.236 ( 4.978 0.000 -0.681) 5.025 3.236 ( 4.978 0.000 0.681) 5.025 3.338 ( -5.095 0.000 -0.532) 5.122 3.338 ( -5.095 0.000 0.532) 5.122 3.506 ( -1.055 0.000 -0.897) 1.384 3.506 ( -1.055 0.000 0.897) 1.384 3.866 ( 0.404 0.000 -1.175) 1.242 3.866 ( 0.404 0.000 1.175) 1.242 3.888 ( 3.030 0.000 -0.723) 3.114 3.888 ( 3.030 0.000 0.723) 3.114 3.995 ( -1.771 0.000 -1.883) 2.585 3.995 ( -1.771 0.000 1.883) 2.585 4.281 ( 10.256 0.000 -2.809) 10.634 4.281 ( 10.256 0.000 2.809) 10.634 4.296 ( 0.314 0.000 -1.620) 1.650 4.296 ( 0.314 0.000 1.620) 1.650 4.625 ( -8.733 0.000 -1.871) 8.931 4.625 ( -8.733 0.000 1.871) 8.931 4.772 ( -1.542 0.000 -0.788) 1.732 4.772 ( -1.542 0.000 0.788) 1.732 4.816 ( -0.016 0.000 -1.188) 1.188 4.816 ( -0.016 0.000 1.188) 1.188 5.233 ( 2.118 0.000 -1.187) 2.428 5.233 ( 2.118 0.000 1.187) 2.428 5.338 ( -1.913 0.000 -2.875) 3.453 5.338 ( -1.913 0.000 2.875) 3.453 5.542 ( 0.120 0.000 -1.999) 2.002 5.542 ( 0.120 0.000 1.999) 2.002 5.641 ( 2.234 0.000 -2.971) 3.717 5.641 ( 2.234 0.000 2.971) 3.717 5.787 ( -2.863 0.000 -3.557) 4.566 5.787 ( -2.863 0.000 3.557) 4.566 5.826 ( -0.316 0.000 -1.817) 1.844 5.826 ( -0.316 0.000 1.817) 1.844 6.391 ( -1.432 0.000 -0.692) 1.591 6.391 ( -1.432 0.000 0.692) 1.591 6.504 ( 1.054 0.000 -1.525) 1.854 6.504 ( 1.054 0.000 1.525) 1.854 6.576 ( -0.474 0.000 -1.460) 1.535 6.576 ( -0.474 0.000 1.460) 1.535 7.044 ( 0.786 0.000 -0.877) 1.177 7.044 ( 0.786 0.000 0.877) 1.177 7.193 ( 3.097 0.000 -3.846) 4.938 7.193 ( 3.097 0.000 3.846) 4.938 7.335 ( -4.127 0.000 -5.304) 6.720 7.335 ( -4.127 0.000 5.304) 6.720 7.577 ( 1.446 0.000 -1.082) 1.806 7.577 ( 1.446 0.000 1.082) 1.806 8.182 ( 0.602 0.000 -0.508) 0.787 8.182 ( 0.602 0.000 0.508) 0.787 8.387 ( 3.334 0.000 -1.373) 3.606 8.387 ( 3.334 0.000 1.373) 3.606 8.702 ( -4.341 0.000 -2.099) 4.822 8.702 ( -4.341 0.000 2.099) 4.822 9.409 ( 0.074 0.000 -1.336) 1.339 9.409 ( 0.074 0.000 1.336) 1.339 9.611 ( 0.042 0.000 -0.033) 0.054 9.611 ( 0.042 0.000 0.033) 0.054 9.946 ( -0.011 0.000 -0.120) 0.120 9.946 ( -0.011 0.000 0.120) 0.120 10.329 ( 5.367 0.000 -1.348) 5.533 10.329 ( 5.367 0.000 1.348) 5.533 10.415 ( -0.019 0.000 -1.908) 1.909 10.415 ( -0.019 0.000 1.908) 1.909 10.585 ( 0.295 0.000 -0.563) 0.636 10.585 ( 0.295 0.000 0.563) 0.636 10.936 ( -5.871 0.000 -1.993) 6.200 10.936 ( -5.871 0.000 1.993) 6.200 11.143 ( -0.009 0.000 -0.353) 0.353 11.143 ( -0.009 0.000 0.353) 0.353 11.395 ( 0.295 0.000 -1.984) 2.005 11.395 ( 0.295 0.000 1.984) 2.005 12.252 ( 0.925 0.000 -4.210) 4.311 12.252 ( 0.925 0.000 4.210) 4.311 13.064 ( 0.195 0.000 -0.240) 0.309 13.064 ( 0.195 0.000 0.240) 0.309 13.596 ( 0.110 0.000 -0.430) 0.444 13.596 ( 0.110 0.000 0.430) 0.444 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 5.436 -11.409) 12.638 1.365 ( 0.000 5.436 11.409) 12.638 1.648 ( 0.000 11.254 -13.047) 17.230 1.648 ( 0.000 11.254 13.047) 17.230 1.933 ( 0.000 3.406 -2.972) 4.521 1.933 ( 0.000 3.406 2.972) 4.521 2.249 ( 0.000 2.354 -4.706) 5.262 2.249 ( 0.000 2.354 4.706) 5.262 2.386 ( 0.000 -1.854 -5.163) 5.486 2.386 ( 0.000 -1.854 5.163) 5.486 2.516 ( 0.000 7.628 -4.936) 9.086 2.516 ( 0.000 7.628 4.936) 9.086 2.591 ( 0.000 2.463 -12.265) 12.509 2.591 ( 0.000 2.463 12.265) 12.509 2.827 ( 0.000 -7.010 -2.441) 7.423 2.827 ( 0.000 -7.010 2.441) 7.423 3.226 ( 0.000 4.969 -0.126) 4.971 3.226 ( 0.000 4.969 0.126) 4.971 3.316 ( 0.000 -2.270 -4.724) 5.241 3.316 ( 0.000 -2.270 4.724) 5.241 3.395 ( 0.000 -2.119 -1.067) 2.373 3.395 ( 0.000 -2.119 1.067) 2.373 3.669 ( 0.000 0.774 -3.851) 3.928 3.669 ( 0.000 0.774 3.851) 3.928 3.740 ( 0.000 2.307 -2.840) 3.658 3.740 ( 0.000 2.307 2.840) 3.658 3.835 ( 0.000 -4.198 -0.491) 4.226 3.835 ( 0.000 -4.198 0.491) 4.226 3.949 ( 0.000 -0.112 -1.889) 1.892 3.949 ( 0.000 -0.112 1.889) 1.892 4.061 ( 0.000 1.597 -1.940) 2.513 4.061 ( 0.000 1.597 1.940) 2.513 4.366 ( 0.000 7.902 -1.106) 7.979 4.366 ( 0.000 7.902 1.106) 7.979 4.746 ( 0.000 -3.476 -2.115) 4.069 4.746 ( 0.000 -3.476 2.115) 4.069 4.855 ( 0.000 3.233 -0.468) 3.267 4.855 ( 0.000 3.233 0.468) 3.267 4.876 ( 0.000 -1.394 -2.030) 2.463 4.876 ( 0.000 -1.394 2.030) 2.463 5.176 ( 0.000 0.993 -1.205) 1.562 5.176 ( 0.000 0.993 1.205) 1.562 5.389 ( 0.000 -4.439 -10.383) 11.292 5.389 ( 0.000 -4.439 10.383) 11.292 5.488 ( 0.000 -1.038 -1.009) 1.447 5.488 ( 0.000 -1.038 1.009) 1.448 5.656 ( 0.000 6.310 -4.531) 7.769 5.656 ( 0.000 6.310 4.531) 7.769 5.786 ( 0.000 -3.867 -1.551) 4.167 5.786 ( 0.000 -3.867 1.551) 4.167 5.857 ( 0.000 -2.557 -0.542) 2.614 5.857 ( 0.000 -2.557 0.542) 2.614 6.363 ( 0.000 -7.677 -1.937) 7.918 6.363 ( 0.000 -7.677 1.937) 7.918 6.485 ( 0.000 0.914 -0.572) 1.078 6.485 ( 0.000 0.914 0.572) 1.078 6.609 ( 0.000 -0.313 -5.128) 5.138 6.609 ( 0.000 -0.313 5.128) 5.138 6.932 ( 0.000 -4.173 -2.554) 4.893 6.932 ( 0.000 -4.173 2.554) 4.893 7.228 ( 0.000 8.126 -0.887) 8.174 7.228 ( 0.000 8.126 0.887) 8.174 7.429 ( 0.000 -1.598 -5.309) 5.544 7.429 ( 0.000 -1.598 5.309) 5.544 7.550 ( 0.000 3.100 -5.167) 6.026 7.550 ( 0.000 3.100 5.167) 6.026 8.035 ( 0.000 -7.838 -2.816) 8.329 8.035 ( 0.000 -7.838 2.816) 8.329 8.377 ( 0.000 5.539 -0.349) 5.550 8.377 ( 0.000 5.539 0.349) 5.550 8.824 ( 0.000 -2.904 -2.676) 3.949 8.824 ( 0.000 -2.904 2.676) 3.949 9.402 ( 0.000 1.274 -4.430) 4.609 9.402 ( 0.000 1.274 4.430) 4.609 9.655 ( 0.000 3.935 -0.827) 4.021 9.655 ( 0.000 3.935 0.827) 4.021 10.029 ( 0.000 6.527 -0.516) 6.547 10.029 ( 0.000 6.527 0.516) 6.547 10.163 ( 0.000 -1.501 -4.076) 4.344 10.163 ( 0.000 -1.501 4.076) 4.344 10.353 ( 0.000 2.432 -0.010) 2.432 10.353 ( 0.000 2.432 0.010) 2.432 10.623 ( 0.000 0.201 -1.668) 1.680 10.623 ( 0.000 0.201 1.668) 1.680 11.122 ( 0.000 -2.096 -0.432) 2.140 11.122 ( 0.000 -2.096 0.432) 2.140 11.182 ( 0.000 2.060 -0.652) 2.161 11.182 ( 0.000 2.060 0.652) 2.161 11.331 ( 0.000 -3.821 -8.090) 8.947 11.331 ( 0.000 -3.821 8.090) 8.947 12.139 ( 0.000 -6.391 -13.439) 14.881 12.139 ( 0.000 -6.391 13.439) 14.881 13.091 ( 0.000 3.726 -0.733) 3.797 13.091 ( 0.000 3.726 0.733) 3.797 13.586 ( 0.000 -0.634 -1.396) 1.533 13.586 ( 0.000 -0.634 1.396) 1.533 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.666 5.075 -9.848) 11.669 1.404 ( 3.666 5.075 9.848) 11.669 1.662 ( 1.326 12.282 -11.445) 16.840 1.662 ( 1.326 12.282 11.445) 16.840 1.935 ( 0.270 0.790 -4.174) 4.256 1.935 ( 0.270 0.790 4.174) 4.256 2.198 ( -4.597 -3.781 -3.121) 6.721 2.198 ( -4.597 -3.781 3.121) 6.721 2.391 ( 0.386 5.347 -4.215) 6.819 2.391 ( 0.386 5.347 4.215) 6.819 2.497 ( -2.074 8.097 -5.119) 9.801 2.497 ( -2.074 8.097 5.119) 9.801 2.565 ( -1.582 3.311 -6.818) 7.743 2.565 ( -1.582 3.311 6.818) 7.743 2.893 ( 5.477 -7.985 -4.038) 10.491 2.893 ( 5.477 -7.985 4.038) 10.491 3.239 ( 0.095 2.792 -0.367) 2.818 3.239 ( 0.095 2.792 0.367) 2.818 3.254 ( -4.042 -2.257 -2.410) 5.219 3.254 ( -4.042 -2.257 2.410) 5.219 3.401 ( 0.393 -0.373 -1.724) 1.807 3.401 ( 0.393 -0.373 1.724) 1.807 3.586 ( -5.176 2.030 -1.813) 5.848 3.586 ( -5.176 2.030 1.813) 5.848 3.814 ( 1.477 -2.238 -0.845) 2.811 3.814 ( 1.477 -2.238 0.845) 2.811 3.856 ( 4.121 1.798 -0.466) 4.521 3.856 ( 4.121 1.798 0.466) 4.521 4.018 ( 4.227 -1.522 -2.674) 5.228 4.018 ( 4.227 -1.522 2.674) 5.228 4.059 ( 2.706 0.069 -2.190) 3.482 4.059 ( 2.706 0.069 2.190) 3.482 4.388 ( 2.175 8.729 -1.854) 9.185 4.388 ( 2.175 8.729 1.854) 9.185 4.702 ( -5.094 -4.606 -2.274) 7.234 4.702 ( -5.094 -4.606 2.274) 7.234 4.817 ( -4.489 -0.514 -1.941) 4.917 4.817 ( -4.489 -0.514 1.941) 4.917 4.863 ( -0.097 2.477 -0.488) 2.527 4.863 ( -0.097 2.477 0.488) 2.527 5.191 ( 1.540 0.655 -1.206) 2.063 5.191 ( 1.540 0.655 1.206) 2.063 5.364 ( -1.888 -1.925 -5.883) 6.471 5.364 ( -1.888 -1.925 5.883) 6.471 5.528 ( 3.320 -2.742 -3.048) 5.276 5.528 ( 3.320 -2.742 3.048) 5.276 5.662 ( 0.469 6.379 -4.571) 7.861 5.662 ( 0.469 6.379 4.571) 7.861 5.766 ( -1.776 -3.596 -3.035) 5.030 5.766 ( -1.776 -3.596 3.035) 5.030 5.848 ( -0.986 -1.671 -2.703) 3.327 5.848 ( -0.986 -1.671 2.703) 3.327 6.355 ( -1.020 -6.553 -1.760) 6.861 6.355 ( -1.020 -6.553 1.760) 6.861 6.480 ( -0.089 -0.114 -2.069) 2.074 6.480 ( -0.089 -0.114 2.069) 2.074 6.581 ( -2.230 -0.832 -3.030) 3.853 6.581 ( -2.230 -0.832 3.030) 3.853 6.963 ( 2.775 -4.282 -3.325) 6.090 6.963 ( 2.775 -4.282 3.325) 6.090 7.235 ( 0.707 7.334 -2.261) 7.707 7.235 ( 0.707 7.334 2.261) 7.707 7.415 ( -2.220 0.189 -6.274) 6.658 7.415 ( -2.220 0.189 6.274) 6.658 7.559 ( 1.587 2.018 -3.030) 3.971 7.559 ( 1.587 2.018 3.030) 3.971 8.044 ( 0.878 -8.283 -2.176) 8.609 8.044 ( 0.878 -8.283 2.176) 8.609 8.408 ( 3.144 5.641 -0.921) 6.523 8.408 ( 3.144 5.641 0.921) 6.523 8.781 ( -4.348 -2.073 -2.898) 5.621 8.781 ( -4.348 -2.073 2.898) 5.621 9.398 ( -0.387 0.604 -3.518) 3.590 9.398 ( -0.387 0.604 3.518) 3.590 9.652 ( -0.300 3.665 -0.606) 3.727 9.652 ( -0.300 3.665 0.606) 3.727 10.032 ( 0.208 6.756 -0.336) 6.768 10.032 ( 0.208 6.756 0.336) 6.768 10.207 ( 4.475 -1.827 -2.092) 5.267 10.207 ( 4.475 -1.827 2.092) 5.267 10.386 ( 3.001 1.894 -0.264) 3.559 10.386 ( 3.001 1.894 0.264) 3.559 10.607 ( -1.530 0.278 -1.429) 2.112 10.607 ( -1.530 0.278 1.429) 2.112 11.078 ( -7.127 -0.508 -3.552) 7.980 11.078 ( -7.127 -0.508 3.552) 7.980 11.135 ( -0.590 -0.510 -1.052) 1.310 11.135 ( -0.590 -0.510 1.052) 1.310 11.367 ( 2.267 -1.488 -5.503) 6.135 11.367 ( 2.267 -1.488 5.503) 6.135 12.151 ( 1.132 -7.009 -10.649) 12.799 12.151 ( 1.132 -7.009 10.649) 12.799 13.095 ( 0.319 3.689 -0.586) 3.749 13.095 ( 0.319 3.689 0.586) 3.749 13.587 ( 0.150 -0.661 -1.129) 1.317 13.587 ( 0.150 -0.661 1.129) 1.317 ======================= Grid point 154 (54/60) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.291 4.678 -4.248) 6.721 1.468 ( 2.291 4.678 4.248) 6.721 1.684 ( 0.726 14.099 -4.983) 14.971 1.684 ( 0.726 14.099 4.983) 14.971 1.950 ( 1.194 -4.392 -3.491) 5.736 1.950 ( 1.194 -4.392 3.491) 5.736 2.113 ( -3.579 -6.623 -2.354) 7.887 2.113 ( -3.579 -6.623 2.354) 7.887 2.406 ( 1.374 10.177 -4.192) 11.092 2.406 ( 1.374 10.177 4.192) 11.092 2.449 ( -2.591 8.664 -4.716) 10.200 2.449 ( -2.591 8.664 4.716) 10.200 2.549 ( -0.265 4.304 -1.701) 4.636 2.549 ( -0.265 4.304 1.701) 4.636 2.983 ( 3.384 -9.002 -2.717) 9.993 2.983 ( 3.384 -9.002 2.717) 9.993 3.156 ( -3.638 -3.515 -2.766) 5.766 3.156 ( -3.638 -3.515 2.766) 5.766 3.278 ( 1.681 0.186 -1.547) 2.292 3.278 ( 1.681 0.186 1.547) 2.292 3.403 ( -0.240 5.790 -1.476) 5.980 3.403 ( -0.240 5.790 1.476) 5.980 3.509 ( -2.478 0.375 -0.613) 2.580 3.509 ( -2.478 0.375 0.613) 2.580 3.823 ( 0.201 -3.604 -1.018) 3.751 3.823 ( 0.201 -3.604 1.018) 3.751 3.921 ( 2.204 2.993 -1.028) 3.857 3.921 ( 2.204 2.993 1.028) 3.857 4.011 ( -1.248 1.408 -1.293) 2.283 4.011 ( -1.248 1.408 1.293) 2.283 4.219 ( 8.844 -3.244 -3.626) 10.094 4.219 ( 8.844 -3.244 3.626) 10.094 4.439 ( 3.269 9.150 -1.773) 9.877 4.439 ( 3.269 9.150 1.773) 9.877 4.558 ( -9.178 -4.687 -2.514) 10.608 4.558 ( -9.178 -4.687 2.514) 10.608 4.741 ( -2.639 -1.618 -1.210) 3.324 4.741 ( -2.639 -1.618 1.210) 3.324 4.865 ( 0.130 2.556 -0.165) 2.564 4.865 ( 0.130 2.556 0.165) 2.564 5.223 ( 1.411 0.062 -0.702) 1.577 5.223 ( 1.411 0.062 0.702) 1.577 5.333 ( -1.216 -0.403 -2.306) 2.638 5.333 ( -1.216 -0.403 2.306) 2.638 5.590 ( 3.090 -2.864 -4.423) 6.109 5.590 ( 3.090 -2.864 4.423) 6.109 5.655 ( -1.660 3.468 -4.329) 5.790 5.655 ( -1.660 3.468 4.329) 5.790 5.743 ( -0.335 0.216 -2.246) 2.281 5.743 ( -0.335 0.216 2.246) 2.281 5.827 ( -0.947 -0.807 -1.918) 2.286 5.827 ( -0.947 -0.807 1.918) 2.286 6.331 ( -0.999 -4.368 -0.800) 4.552 6.331 ( -0.999 -4.368 0.800) 4.552 6.491 ( 0.982 -4.382 -1.532) 4.745 6.491 ( 0.982 -4.382 1.532) 4.745 6.544 ( -1.491 0.149 -1.099) 1.859 6.544 ( -1.491 0.149 1.099) 1.859 7.011 ( 1.776 -4.147 -1.790) 4.853 7.011 ( 1.776 -4.147 1.790) 4.853 7.253 ( 1.108 5.729 -2.008) 6.171 7.253 ( 1.108 5.729 2.008) 6.171 7.356 ( -3.000 2.280 -4.067) 5.544 7.356 ( -3.000 2.280 4.067) 5.544 7.595 ( 1.435 1.414 -0.941) 2.224 7.595 ( 1.435 1.414 0.941) 2.224 8.060 ( 0.565 -9.043 -0.782) 9.095 8.060 ( 0.565 -9.043 0.782) 9.095 8.477 ( 3.406 5.843 -1.254) 6.878 8.477 ( 3.406 5.843 1.254) 6.878 8.691 ( -4.127 -0.970 -2.069) 4.717 8.691 ( -4.127 -0.970 2.069) 4.717 9.391 ( -0.267 -0.304 -1.301) 1.362 9.391 ( -0.267 -0.304 1.301) 1.362 9.647 ( -0.168 3.262 -0.201) 3.272 9.647 ( -0.168 3.262 0.201) 3.272 10.034 ( 0.067 6.925 -0.070) 6.925 10.034 ( 0.067 6.925 0.070) 6.925 10.303 ( 4.524 -2.790 -0.667) 5.357 10.303 ( 4.524 -2.790 0.667) 5.357 10.426 ( 0.237 1.248 -1.207) 1.752 10.426 ( 0.237 1.248 1.207) 1.752 10.588 ( 0.018 0.230 -0.445) 0.501 10.588 ( 0.018 0.230 0.445) 0.501 10.945 ( -5.187 0.959 -1.810) 5.577 10.945 ( -5.187 0.959 1.810) 5.577 11.134 ( 0.063 -0.923 -0.338) 0.985 11.134 ( 0.063 -0.923 0.338) 0.985 11.395 ( 0.715 0.039 -1.915) 2.044 11.395 ( 0.715 0.039 1.915) 2.044 12.170 ( 0.646 -7.888 -3.947) 8.844 12.170 ( 0.646 -7.888 3.947) 8.844 13.100 ( 0.180 3.642 -0.220) 3.653 13.100 ( 0.180 3.642 0.220) 3.653 13.590 ( 0.094 -0.703 -0.431) 0.830 13.590 ( 0.094 -0.703 0.431) 0.830 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 9.130 -8.512) 12.482 1.515 ( 0.000 9.130 8.512) 12.482 1.755 ( 0.000 0.767 -12.129) 12.153 1.755 ( 0.000 0.767 12.129) 12.153 2.095 ( 0.000 5.289 -2.654) 5.917 2.095 ( 0.000 5.289 2.654) 5.917 2.177 ( 0.000 -8.472 -1.981) 8.701 2.177 ( 0.000 -8.472 1.981) 8.701 2.426 ( 0.000 8.571 -5.005) 9.925 2.426 ( 0.000 8.571 5.005) 9.925 2.616 ( 0.000 3.517 -9.521) 10.150 2.616 ( 0.000 3.517 9.521) 10.150 2.685 ( 0.000 5.132 -3.456) 6.188 2.685 ( 0.000 5.132 3.456) 6.188 2.890 ( 0.000 12.614 -2.096) 12.786 2.890 ( 0.000 12.614 2.096) 12.786 3.262 ( 0.000 -2.679 -2.428) 3.615 3.262 ( 0.000 -2.679 2.428) 3.615 3.301 ( 0.000 2.903 -1.958) 3.502 3.301 ( 0.000 2.903 1.958) 3.502 3.358 ( 0.000 -0.642 -1.475) 1.608 3.358 ( 0.000 -0.642 1.475) 1.608 3.618 ( 0.000 -4.270 -2.220) 4.813 3.618 ( 0.000 -4.270 2.220) 4.813 3.698 ( 0.000 -8.559 -0.215) 8.561 3.698 ( 0.000 -8.559 0.215) 8.561 3.794 ( 0.000 -0.869 -3.201) 3.317 3.794 ( 0.000 -0.869 3.201) 3.317 3.988 ( 0.000 4.539 -5.398) 7.052 3.988 ( 0.000 4.539 5.398) 7.052 4.122 ( 0.000 4.200 -0.651) 4.250 4.122 ( 0.000 4.200 0.651) 4.250 4.518 ( 0.000 4.588 -1.080) 4.713 4.518 ( 0.000 4.588 1.080) 4.713 4.672 ( 0.000 -3.827 -1.467) 4.098 4.672 ( 0.000 -3.827 1.467) 4.098 4.840 ( 0.000 1.090 -4.673) 4.798 4.840 ( 0.000 1.090 4.673) 4.798 4.951 ( 0.000 5.222 -0.842) 5.290 4.951 ( 0.000 5.222 0.842) 5.290 5.201 ( 0.000 1.274 -0.614) 1.414 5.201 ( 0.000 1.274 0.614) 1.414 5.266 ( 0.000 -7.293 -9.386) 11.887 5.266 ( 0.000 -7.293 9.386) 11.887 5.482 ( 0.000 -0.155 -0.699) 0.716 5.482 ( 0.000 -0.155 0.699) 0.716 5.615 ( 0.000 -6.892 -5.040) 8.539 5.615 ( 0.000 -6.892 5.040) 8.539 5.744 ( 0.000 -4.296 -3.264) 5.395 5.744 ( 0.000 -4.296 3.264) 5.395 5.896 ( 0.000 6.648 -5.480) 8.615 5.896 ( 0.000 6.648 5.480) 8.615 6.246 ( 0.000 -2.809 -0.578) 2.868 6.246 ( 0.000 -2.809 0.578) 2.868 6.483 ( 0.000 -1.599 -0.447) 1.661 6.483 ( 0.000 -1.599 0.447) 1.661 6.579 ( 0.000 -1.703 -7.261) 7.458 6.579 ( 0.000 -1.703 7.261) 7.458 6.840 ( 0.000 -5.080 -6.186) 8.004 6.840 ( 0.000 -5.080 6.186) 8.004 7.375 ( 0.000 5.468 -1.057) 5.569 7.375 ( 0.000 5.468 1.057) 5.569 7.410 ( 0.000 -0.075 -3.222) 3.223 7.410 ( 0.000 -0.075 3.222) 3.223 7.621 ( 0.000 4.034 -4.754) 6.235 7.621 ( 0.000 4.034 4.754) 6.235 7.895 ( 0.000 -5.766 -3.066) 6.530 7.895 ( 0.000 -5.766 3.066) 6.530 8.466 ( 0.000 3.101 -0.459) 3.134 8.466 ( 0.000 3.101 0.459) 3.134 8.766 ( 0.000 -2.407 -1.878) 3.052 8.766 ( 0.000 -2.407 1.878) 3.052 9.477 ( 0.000 6.160 -4.845) 7.837 9.477 ( 0.000 6.160 4.845) 7.837 9.739 ( 0.000 3.688 -2.832) 4.650 9.739 ( 0.000 3.688 2.832) 4.650 10.114 ( 0.000 -1.503 -1.960) 2.470 10.114 ( 0.000 -1.503 1.960) 2.470 10.145 ( 0.000 2.392 -2.664) 3.581 10.145 ( 0.000 2.392 2.664) 3.581 10.422 ( 0.000 4.080 -0.820) 4.162 10.422 ( 0.000 4.080 0.820) 4.162 10.629 ( 0.000 0.274 -0.921) 0.961 10.629 ( 0.000 0.274 0.921) 0.961 11.060 ( 0.000 -4.061 -0.900) 4.160 11.060 ( 0.000 -4.061 0.900) 4.160 11.222 ( 0.000 -2.411 -4.052) 4.715 11.222 ( 0.000 -2.411 4.052) 4.715 11.261 ( 0.000 1.849 -0.513) 1.919 11.261 ( 0.000 1.849 0.513) 1.919 11.974 ( 0.000 -9.312 -9.996) 13.662 11.974 ( 0.000 -9.312 9.996) 13.662 13.200 ( 0.000 6.912 -0.689) 6.946 13.200 ( 0.000 6.912 0.689) 6.946 13.559 ( 0.000 -2.332 -1.402) 2.721 13.559 ( 0.000 -2.332 1.402) 2.721 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.422 7.819 -7.135) 10.858 1.541 ( 2.422 7.819 7.135) 10.858 1.779 ( 2.461 0.462 -11.740) 12.004 1.779 ( 2.461 0.462 11.740) 12.004 1.996 ( -7.563 -2.944 -1.968) 8.351 1.996 ( -7.563 -2.944 1.968) 8.351 2.172 ( -1.464 4.980 -1.268) 5.344 2.172 ( -1.464 4.980 1.268) 5.344 2.477 ( 3.431 3.862 -4.536) 6.875 2.477 ( 3.431 3.862 4.536) 6.875 2.634 ( 1.654 6.281 -6.828) 9.424 2.634 ( 1.654 6.281 6.828) 9.424 2.677 ( -0.326 4.272 -6.981) 8.192 2.677 ( -0.326 4.272 6.981) 8.192 2.894 ( 0.467 10.600 -1.883) 10.776 2.894 ( 0.467 10.600 1.883) 10.776 3.174 ( -7.047 -4.119 -2.011) 8.407 3.174 ( -7.047 -4.119 2.011) 8.407 3.283 ( -1.027 1.281 -2.722) 3.179 3.283 ( -1.027 1.281 2.722) 3.179 3.401 ( 3.240 0.546 -3.068) 4.495 3.401 ( 3.240 0.546 3.068) 4.495 3.606 ( -1.507 -0.370 -2.169) 2.667 3.606 ( -1.507 -0.370 2.169) 2.667 3.720 ( 0.968 -6.604 -0.473) 6.692 3.720 ( 0.968 -6.604 0.473) 6.692 3.875 ( 7.949 -1.808 -2.988) 8.683 3.875 ( 7.949 -1.808 2.988) 8.683 4.016 ( 3.219 2.339 -6.988) 8.041 4.016 ( 3.219 2.339 6.988) 8.041 4.099 ( -2.156 3.593 -0.421) 4.211 4.099 ( -2.156 3.593 0.421) 4.211 4.527 ( -0.626 1.521 -0.978) 1.914 4.527 ( -0.626 1.521 0.978) 1.914 4.618 ( -4.127 -3.065 -2.495) 5.714 4.618 ( -4.127 -3.065 2.495) 5.714 4.815 ( -2.242 3.171 -2.886) 4.839 4.815 ( -2.242 3.171 2.886) 4.839 4.932 ( -1.702 4.230 -0.864) 4.640 4.932 ( -1.702 4.230 0.864) 4.640 5.215 ( 1.459 1.444 -0.414) 2.095 5.215 ( 1.459 1.444 0.414) 2.095 5.300 ( 2.637 -4.605 -7.987) 9.590 5.300 ( 2.637 -4.605 7.987) 9.590 5.476 ( 0.060 -1.840 -1.222) 2.210 5.476 ( 0.060 -1.840 1.222) 2.210 5.606 ( -1.093 -6.748 -5.399) 8.711 5.606 ( -1.093 -6.748 5.399) 8.711 5.760 ( 1.417 -3.730 -3.630) 5.394 5.760 ( 1.417 -3.730 3.630) 5.394 5.888 ( -0.838 6.052 -4.834) 7.790 5.888 ( -0.838 6.052 4.834) 7.790 6.254 ( 1.039 -1.903 -1.510) 2.642 6.254 ( 1.039 -1.903 1.510) 2.642 6.470 ( -1.884 -0.766 -3.907) 4.405 6.470 ( -1.884 -0.766 3.907) 4.405 6.552 ( -1.902 -1.718 -4.297) 5.003 6.552 ( -1.902 -1.718 4.297) 5.003 6.856 ( 1.586 -6.277 -5.614) 8.569 6.856 ( 1.586 -6.277 5.614) 8.569 7.366 ( -0.064 4.791 -2.145) 5.250 7.366 ( -0.064 4.791 2.145) 5.250 7.443 ( 1.612 2.529 -1.913) 3.557 7.443 ( 1.612 2.529 1.913) 3.557 7.604 ( -0.885 2.549 -2.821) 3.903 7.604 ( -0.885 2.549 2.821) 3.903 7.889 ( -0.625 -6.824 -2.251) 7.213 7.889 ( -0.625 -6.824 2.251) 7.213 8.498 ( 3.189 3.093 -0.461) 4.466 8.498 ( 3.189 3.093 0.461) 4.466 8.739 ( -2.803 -1.700 -2.153) 3.923 8.739 ( -2.803 -1.700 2.153) 3.923 9.463 ( -1.274 5.927 -3.799) 7.154 9.463 ( -1.274 5.927 3.799) 7.154 9.731 ( -0.740 3.441 -2.182) 4.141 9.731 ( -0.740 3.441 2.182) 4.141 10.136 ( 1.254 1.000 -1.862) 2.458 10.136 ( 1.254 1.000 1.862) 2.458 10.164 ( 2.696 -0.561 -2.386) 3.644 10.164 ( 2.696 -0.561 2.386) 3.644 10.440 ( 1.710 3.333 -0.482) 3.777 10.440 ( 1.710 3.333 0.482) 3.777 10.614 ( -1.362 0.354 -0.722) 1.582 10.614 ( -1.362 0.354 0.722) 1.582 11.043 ( -2.620 -2.817 -2.763) 4.736 11.043 ( -2.620 -2.817 2.763) 4.736 11.134 ( -3.720 0.091 -0.550) 3.761 11.134 ( -3.720 0.091 0.550) 3.761 11.348 ( 4.628 0.477 -3.720) 5.957 11.348 ( 4.628 0.477 3.720) 5.957 11.969 ( -0.491 -10.409 -8.355) 13.357 11.969 ( -0.491 -10.409 8.355) 13.357 13.203 ( 0.248 6.877 -0.558) 6.904 13.203 ( 0.248 6.877 0.558) 6.904 13.560 ( 0.093 -2.366 -1.134) 2.625 13.560 ( 0.093 -2.366 1.134) 2.625 ======================= Grid point 164 (57/60) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.742 5.828 -2.874) 6.727 1.585 ( 1.742 5.828 2.874) 6.727 1.824 ( 1.193 -2.807 -9.221) 9.712 1.824 ( 1.193 -2.807 9.221) 9.712 1.888 ( -2.616 -2.255 -5.037) 6.107 1.888 ( -2.616 -2.255 5.037) 6.107 2.132 ( -2.000 9.703 -1.481) 10.017 2.132 ( -2.000 9.703 1.481) 10.017 2.512 ( 0.523 2.853 -1.827) 3.429 2.512 ( 0.523 2.853 1.827) 3.429 2.650 ( 0.175 10.079 -1.302) 10.164 2.650 ( 0.175 10.079 1.302) 10.164 2.695 ( 1.402 3.324 -5.203) 6.331 2.695 ( 1.402 3.324 5.203) 6.331 2.906 ( 0.627 6.857 -0.955) 6.952 2.906 ( 0.627 6.857 0.955) 6.952 3.064 ( -3.703 -5.510 -1.400) 6.784 3.064 ( -3.703 -5.510 1.400) 6.784 3.271 ( -0.282 0.103 -1.278) 1.313 3.271 ( -0.282 0.103 1.278) 1.313 3.459 ( 2.516 -0.598 -2.147) 3.361 3.459 ( 2.516 -0.598 2.147) 3.361 3.568 ( -2.026 5.547 -1.846) 6.187 3.568 ( -2.026 5.547 1.846) 6.187 3.735 ( 0.559 -5.304 -0.256) 5.340 3.735 ( 0.559 -5.304 0.256) 5.340 3.976 ( 2.201 1.040 -0.390) 2.466 3.976 ( 2.201 1.040 0.390) 2.466 4.053 ( -1.741 2.695 -0.707) 3.286 4.053 ( -1.741 2.695 0.707) 3.286 4.158 ( 11.000 -2.296 -5.816) 12.653 4.158 ( 11.000 -2.296 5.816) 12.653 4.394 ( -11.018 -5.923 -3.306) 12.938 4.394 ( -11.018 -5.923 3.306) 12.938 4.633 ( 3.239 -2.386 -1.969) 4.479 4.633 ( 3.239 -2.386 1.969) 4.479 4.760 ( -3.279 9.985 -0.838) 10.543 4.760 ( -3.279 9.985 0.838) 10.543 4.907 ( -0.701 2.183 -0.203) 2.302 4.907 ( -0.701 2.183 0.203) 2.302 5.248 ( 1.600 2.064 -0.288) 2.627 5.248 ( 1.600 2.064 0.288) 2.627 5.323 ( -0.231 -0.472 -3.000) 3.046 5.323 ( -0.231 -0.472 3.000) 3.046 5.507 ( 3.080 -5.807 -5.280) 8.431 5.507 ( 3.080 -5.807 5.280) 8.431 5.571 ( -2.660 -5.425 -6.473) 8.855 5.571 ( -2.660 -5.425 6.473) 8.855 5.782 ( 0.736 -2.644 -2.244) 3.545 5.782 ( 0.736 -2.644 2.244) 3.545 5.872 ( -0.643 4.042 -2.413) 4.752 5.872 ( -0.643 4.042 2.413) 4.752 6.285 ( 1.944 1.603 -1.873) 3.139 6.285 ( 1.944 1.603 1.873) 3.139 6.412 ( -3.202 -1.830 -3.350) 4.982 6.412 ( -3.202 -1.830 3.350) 4.982 6.535 ( -0.182 -1.645 -0.919) 1.894 6.535 ( -0.182 -1.645 0.919) 1.894 6.885 ( 1.091 -7.973 -2.481) 8.421 6.885 ( 1.091 -7.973 2.481) 8.421 7.379 ( 1.396 6.040 -2.035) 6.525 7.379 ( 1.396 6.040 2.035) 6.525 7.431 ( -2.235 5.161 -2.267) 6.064 7.431 ( -2.235 5.161 2.267) 6.064 7.615 ( 1.263 0.163 -0.505) 1.370 7.615 ( 1.263 0.163 0.505) 1.370 7.875 ( -0.617 -8.972 -0.778) 9.027 7.875 ( -0.617 -8.972 0.778) 9.027 8.569 ( 3.883 3.011 -1.131) 5.041 8.569 ( 3.883 3.011 1.131) 5.041 8.674 ( -3.692 -0.530 -1.887) 4.180 8.674 ( -3.692 -0.530 1.887) 4.180 9.441 ( -0.738 5.603 -1.395) 5.821 9.441 ( -0.738 5.603 1.395) 5.821 9.718 ( -0.413 3.084 -0.778) 3.207 9.718 ( -0.413 3.084 0.778) 3.207 10.148 ( 0.271 3.290 -0.385) 3.324 10.148 ( 0.271 3.290 0.385) 3.324 10.224 ( 2.515 -4.437 -0.877) 5.175 10.224 ( 2.515 -4.437 0.877) 5.175 10.467 ( 0.719 2.806 -0.245) 2.907 10.467 ( 0.719 2.806 0.245) 2.907 10.592 ( -0.643 0.074 -0.056) 0.649 10.592 ( -0.643 0.074 0.056) 0.649 10.976 ( -2.861 1.991 -1.542) 3.812 10.976 ( -2.861 1.991 1.542) 3.812 11.108 ( -0.222 -1.586 -0.543) 1.691 11.108 ( -0.222 -1.586 0.543) 1.691 11.409 ( 1.731 1.841 -1.823) 3.117 11.409 ( 1.731 1.841 1.823) 3.117 11.960 ( -0.322 -12.327 -3.376) 12.785 11.960 ( -0.322 -12.327 3.376) 12.785 13.207 ( 0.145 6.828 -0.213) 6.833 13.207 ( 0.145 6.828 0.213) 6.833 13.561 ( 0.059 -2.420 -0.433) 2.459 13.561 ( 0.059 -2.420 0.433) 2.459 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 5.142 -0.393) 5.157 1.687 ( 0.000 5.142 0.393) 5.157 1.786 ( 0.000 5.389 -0.744) 5.440 1.786 ( 0.000 5.389 0.744) 5.440 1.971 ( 0.000 -10.548 -1.460) 10.649 1.971 ( 0.000 -10.548 1.460) 10.649 2.083 ( 0.000 -2.654 -1.931) 3.282 2.083 ( 0.000 -2.654 1.931) 3.282 2.624 ( 0.000 5.310 -0.321) 5.320 2.624 ( 0.000 5.310 0.321) 5.320 2.690 ( 0.000 2.972 -3.011) 4.230 2.690 ( 0.000 2.972 3.011) 4.230 2.812 ( 0.000 6.774 -3.216) 7.499 2.812 ( 0.000 6.774 3.216) 7.499 3.086 ( 0.000 2.618 -0.634) 2.693 3.086 ( 0.000 2.618 0.634) 2.693 3.272 ( 0.000 5.897 -1.438) 6.070 3.272 ( 0.000 5.897 1.438) 6.070 3.362 ( 0.000 1.575 -1.488) 2.167 3.362 ( 0.000 1.575 1.488) 2.167 3.402 ( 0.000 5.896 -0.132) 5.898 3.402 ( 0.000 5.896 0.132) 5.898 3.499 ( 0.000 -9.275 -1.607) 9.413 3.499 ( 0.000 -9.275 1.607) 9.413 3.549 ( 0.000 -1.431 -0.031) 1.431 3.549 ( 0.000 -1.431 0.031) 1.431 3.684 ( 0.000 -9.419 -1.166) 9.491 3.684 ( 0.000 -9.419 1.166) 9.491 4.093 ( 0.000 4.453 -2.770) 5.245 4.093 ( 0.000 4.453 2.770) 5.245 4.195 ( 0.000 2.081 -0.158) 2.087 4.195 ( 0.000 2.081 0.158) 2.087 4.520 ( 0.000 -3.206 -0.860) 3.319 4.520 ( 0.000 -3.206 0.860) 3.319 4.619 ( 0.000 0.356 -0.519) 0.630 4.619 ( 0.000 0.356 0.519) 0.630 4.923 ( 0.000 5.357 -7.260) 9.022 4.923 ( 0.000 5.357 7.260) 9.022 5.037 ( 0.000 -2.438 -2.372) 3.402 5.037 ( 0.000 -2.438 2.372) 3.402 5.147 ( 0.000 1.290 -3.294) 3.537 5.147 ( 0.000 1.290 3.294) 3.537 5.244 ( 0.000 3.380 -2.203) 4.035 5.244 ( 0.000 3.380 2.203) 4.035 5.396 ( 0.000 -9.142 -2.187) 9.400 5.396 ( 0.000 -9.142 2.187) 9.400 5.537 ( 0.000 -0.165 -1.112) 1.125 5.537 ( 0.000 -0.165 1.112) 1.125 5.669 ( 0.000 -2.175 -1.216) 2.492 5.669 ( 0.000 -2.175 1.216) 2.492 5.976 ( 0.000 1.092 -2.021) 2.297 5.976 ( 0.000 1.092 2.021) 2.297 6.279 ( 0.000 5.413 -2.579) 5.995 6.279 ( 0.000 5.413 2.579) 5.995 6.406 ( 0.000 -5.809 -2.558) 6.347 6.406 ( 0.000 -5.809 2.558) 6.347 6.579 ( 0.000 1.416 -6.465) 6.618 6.579 ( 0.000 1.416 6.465) 6.618 6.740 ( 0.000 -4.021 -5.687) 6.965 6.740 ( 0.000 -4.021 5.687) 6.965 7.401 ( 0.000 -0.037 -0.099) 0.105 7.401 ( 0.000 -0.037 0.099) 0.105 7.458 ( 0.000 1.958 -0.138) 1.962 7.458 ( 0.000 1.958 0.138) 1.962 7.698 ( 0.000 3.044 -2.349) 3.845 7.698 ( 0.000 3.044 2.349) 3.845 7.808 ( 0.000 -2.950 -1.054) 3.133 7.808 ( 0.000 -2.950 1.054) 3.133 8.502 ( 0.000 0.715 -0.257) 0.760 8.502 ( 0.000 0.715 0.257) 0.760 8.737 ( 0.000 -0.620 -0.744) 0.968 8.737 ( 0.000 -0.620 0.744) 0.968 9.622 ( 0.000 7.107 -5.072) 8.732 9.622 ( 0.000 7.107 5.072) 8.732 9.762 ( 0.000 -1.941 -4.762) 5.143 9.762 ( 0.000 -1.941 4.762) 5.143 10.086 ( 0.000 -0.252 -0.677) 0.722 10.086 ( 0.000 -0.252 0.677) 0.722 10.164 ( 0.000 -0.396 -0.940) 1.020 10.164 ( 0.000 -0.396 0.940) 1.020 10.493 ( 0.000 2.396 -0.780) 2.520 10.493 ( 0.000 2.396 0.780) 2.520 10.630 ( 0.000 -0.156 -0.060) 0.168 10.630 ( 0.000 -0.156 0.060) 0.168 10.980 ( 0.000 -2.897 -1.044) 3.079 10.980 ( 0.000 -2.897 1.044) 3.079 11.158 ( 0.000 -1.887 -1.031) 2.150 11.158 ( 0.000 -1.887 1.031) 2.150 11.344 ( 0.000 3.643 -1.521) 3.947 11.344 ( 0.000 3.643 1.521) 3.947 11.810 ( 0.000 -5.666 -4.441) 7.199 11.810 ( 0.000 -5.666 4.441) 7.199 13.347 ( 0.000 7.148 -0.873) 7.202 13.347 ( 0.000 7.148 0.873) 7.202 13.486 ( 0.000 -4.888 -1.205) 5.035 13.486 ( 0.000 -4.888 1.205) 5.035 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.580 2.831 -3.993) 5.143 1.661 ( -1.580 2.831 3.993) 5.143 1.794 ( -1.840 1.028 -0.802) 2.255 1.794 ( -1.840 1.028 0.802) 2.255 1.924 ( -0.437 -0.255 -2.564) 2.614 1.924 ( -0.437 -0.255 2.564) 2.614 2.138 ( 2.963 -5.923 -2.889) 7.226 2.138 ( 2.963 -5.923 2.889) 7.226 2.628 ( 0.607 6.535 -4.093) 7.735 2.628 ( 0.607 6.535 4.093) 7.735 2.703 ( 1.177 1.976 -8.990) 9.280 2.703 ( 1.177 1.976 8.990) 9.280 2.801 ( -1.088 5.547 -4.422) 7.177 2.801 ( -1.088 5.547 4.422) 7.177 3.035 ( -5.356 -2.006 -1.478) 5.908 3.035 ( -5.356 -2.006 1.478) 5.908 3.200 ( -4.743 9.623 -0.462) 10.739 3.200 ( -4.743 9.623 0.462) 10.739 3.320 ( -2.627 0.483 -2.796) 3.867 3.320 ( -2.627 0.483 2.796) 3.867 3.422 ( 1.908 2.461 -2.246) 3.840 3.422 ( 1.908 2.461 2.246) 3.840 3.537 ( 3.148 -7.597 -1.408) 8.343 3.537 ( 3.148 -7.597 1.408) 8.343 3.634 ( 5.914 1.804 -1.038) 6.269 3.634 ( 5.914 1.804 1.038) 6.269 3.772 ( 8.051 -7.692 -1.561) 11.243 3.772 ( 8.051 -7.692 1.561) 11.243 4.082 ( -0.632 3.059 -4.008) 5.081 4.082 ( -0.632 3.059 4.008) 5.081 4.170 ( -2.161 2.541 -0.366) 3.356 4.170 ( -2.161 2.541 0.366) 3.356 4.489 ( -4.035 -3.482 -0.461) 5.350 4.489 ( -4.035 -3.482 0.461) 5.350 4.559 ( -4.838 -1.014 -1.313) 5.115 4.559 ( -4.838 -1.014 1.313) 5.115 4.928 ( 0.671 5.933 -6.129) 8.556 4.928 ( 0.671 5.933 6.129) 8.556 5.014 ( -1.962 0.548 -1.160) 2.344 5.014 ( -1.962 0.548 1.160) 2.344 5.197 ( 4.312 -1.364 -2.481) 5.159 5.197 ( 4.312 -1.364 2.481) 5.159 5.274 ( 2.980 3.785 -3.244) 5.808 5.274 ( 2.980 3.785 3.244) 5.808 5.412 ( 1.300 -7.191 -2.268) 7.651 5.412 ( 1.300 -7.191 2.268) 7.651 5.498 ( -3.386 -1.778 -2.009) 4.320 5.498 ( -3.386 -1.778 2.009) 4.320 5.695 ( 2.383 -1.757 -1.278) 3.225 5.695 ( 2.383 -1.757 1.278) 3.225 5.943 ( -3.457 0.148 -1.552) 3.792 5.943 ( -3.457 0.148 1.552) 3.792 6.303 ( 2.540 5.474 -2.904) 6.697 6.303 ( 2.540 5.474 2.904) 6.697 6.418 ( 1.073 -4.857 -2.797) 5.706 6.418 ( 1.073 -4.857 2.797) 5.706 6.563 ( -1.695 3.042 -6.783) 7.625 6.563 ( -1.695 3.042 6.783) 7.625 6.726 ( -1.227 -5.867 -6.184) 8.612 6.726 ( -1.227 -5.867 6.184) 8.612 7.427 ( 2.557 1.628 -2.018) 3.642 7.427 ( 2.557 1.628 2.018) 3.642 7.485 ( 2.793 0.938 -1.370) 3.250 7.485 ( 2.793 0.938 1.370) 3.250 7.667 ( -3.182 3.524 -1.866) 5.101 7.667 ( -3.182 3.524 1.866) 5.101 7.776 ( -3.094 -4.483 -0.428) 5.464 7.776 ( -3.094 -4.483 0.428) 5.464 8.533 ( 3.108 0.716 -0.089) 3.191 8.533 ( 3.108 0.716 0.089) 3.191 8.719 ( -1.877 -0.384 -0.852) 2.097 8.719 ( -1.877 -0.384 0.852) 2.097 9.610 ( -1.097 7.566 -4.135) 8.692 9.610 ( -1.097 7.566 4.135) 8.692 9.748 ( -1.346 -2.477 -3.910) 4.820 9.748 ( -1.346 -2.477 3.910) 4.820 10.108 ( 2.104 -0.624 -0.634) 2.284 10.108 ( 2.104 -0.624 0.634) 2.284 10.172 ( 0.621 -0.497 -1.085) 1.345 10.172 ( 0.621 -0.497 1.085) 1.345 10.502 ( 0.945 2.206 -0.648) 2.486 10.502 ( 0.945 2.206 0.648) 2.486 10.615 ( -1.438 -0.220 -0.271) 1.479 10.615 ( -1.438 -0.220 0.271) 1.479 10.988 ( 0.907 -1.894 -1.040) 2.343 10.988 ( 0.907 -1.894 1.040) 2.343 11.127 ( -2.680 -0.541 -0.578) 2.795 11.127 ( -2.680 -0.541 0.578) 2.795 11.396 ( 4.744 3.127 -2.164) 6.080 11.396 ( 4.744 3.127 2.164) 6.080 11.781 ( -2.897 -6.702 -4.162) 8.404 11.781 ( -2.897 -6.702 4.162) 8.404 13.350 ( 0.261 7.248 -0.722) 7.289 13.350 ( 0.261 7.248 0.722) 7.289 13.486 ( -0.010 -5.014 -0.990) 5.111 13.486 ( -0.010 -5.014 0.990) 5.111 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.341 1.112 -2.620) 2.866 1.650 ( 0.341 1.112 2.620) 2.866 1.726 ( -3.325 -4.121 -1.460) 5.492 1.726 ( -3.325 -4.121 1.460) 5.492 1.962 ( 2.250 8.362 -2.296) 8.959 1.962 ( 2.250 8.362 2.296) 8.959 2.162 ( -0.017 -6.862 -2.016) 7.152 2.162 ( -0.017 -6.862 2.016) 7.152 2.644 ( 0.724 8.813 -2.510) 9.192 2.644 ( 0.724 8.813 2.510) 9.192 2.734 ( 2.303 1.224 -8.867) 9.243 2.734 ( 2.303 1.224 8.867) 9.243 2.777 ( -1.662 3.731 -5.285) 6.679 2.777 ( -1.662 3.731 5.285) 6.679 2.929 ( -4.247 -7.101 -1.789) 8.465 2.929 ( -4.247 -7.101 1.789) 8.465 3.146 ( -1.216 11.430 -0.265) 11.498 3.146 ( -1.216 11.430 0.265) 11.498 3.282 ( -1.173 -1.360 -1.142) 2.128 3.282 ( -1.173 -1.360 1.142) 2.128 3.462 ( 1.695 3.157 -1.264) 3.799 3.462 ( 1.695 3.157 1.264) 3.799 3.589 ( 1.787 -7.150 -0.648) 7.398 3.589 ( 1.787 -7.150 0.648) 7.398 3.712 ( 2.108 7.274 -0.831) 7.619 3.712 ( 2.108 7.274 0.831) 7.619 3.897 ( 3.465 -8.575 -1.719) 9.407 3.897 ( 3.465 -8.575 1.719) 9.407 4.093 ( 1.113 1.478 -2.307) 2.957 4.093 ( 1.113 1.478 2.307) 2.957 4.152 ( 1.852 0.327 -2.414) 3.060 4.152 ( 1.852 0.327 2.414) 3.060 4.362 ( -7.523 3.489 -2.571) 8.682 4.362 ( -7.523 3.489 2.571) 8.682 4.500 ( -1.616 -8.006 -0.745) 8.202 4.500 ( -1.616 -8.006 0.745) 8.202 4.947 ( 1.289 5.208 -3.836) 6.596 4.947 ( 1.289 5.208 3.836) 6.596 4.977 ( -1.855 3.733 -1.540) 4.443 4.977 ( -1.855 3.733 1.540) 4.443 5.280 ( 4.262 0.177 -1.322) 4.465 5.280 ( 4.262 0.177 1.322) 4.465 5.326 ( 1.322 2.418 -4.179) 5.006 5.326 ( 1.322 2.418 4.179) 5.006 5.405 ( -2.403 -2.521 -2.581) 4.335 5.405 ( -2.403 -2.521 2.581) 4.335 5.457 ( -0.115 -6.610 -2.515) 7.073 5.457 ( -0.115 -6.610 2.515) 7.073 5.749 ( 3.257 -0.129 -1.031) 3.419 5.749 ( 3.257 -0.129 1.031) 3.419 5.863 ( -4.313 -2.437 -1.028) 5.060 5.863 ( -4.313 -2.437 1.028) 5.060 6.364 ( 3.526 3.901 -3.022) 6.065 6.364 ( 3.526 3.901 3.022) 6.065 6.426 ( -0.849 -0.592 -1.929) 2.189 6.426 ( -0.849 -0.592 1.929) 2.189 6.526 ( -1.537 4.893 -3.738) 6.346 6.526 ( -1.537 4.893 3.738) 6.346 6.707 ( -0.643 -9.517 -3.314) 10.098 6.707 ( -0.643 -9.517 3.314) 10.098 7.487 ( 3.713 4.645 -2.346) 6.392 7.487 ( 3.713 4.645 2.346) 6.392 7.539 ( 1.137 3.689 -0.869) 3.957 7.539 ( 1.137 3.689 0.869) 3.957 7.602 ( -2.189 0.169 -0.678) 2.298 7.602 ( -2.189 0.169 0.678) 2.298 7.711 ( -3.202 -7.372 -0.460) 8.050 7.711 ( -3.202 -7.372 0.460) 8.050 8.602 ( 3.910 0.616 -0.500) 3.990 8.602 ( 3.910 0.616 0.500) 3.990 8.671 ( -3.235 0.055 -0.830) 3.341 8.671 ( -3.235 0.055 0.830) 3.341 9.592 ( -0.604 8.348 -1.605) 8.522 9.592 ( -0.604 8.348 1.605) 8.522 9.725 ( -0.752 -3.333 -1.526) 3.742 9.725 ( -0.752 -3.333 1.526) 3.742 10.149 ( 2.018 -1.173 -0.868) 2.490 10.149 ( 2.018 -1.173 0.868) 2.490 10.175 ( -0.519 -0.858 -1.179) 1.547 10.175 ( -0.519 -0.858 1.179) 1.547 10.525 ( 1.286 2.471 -0.307) 2.802 10.525 ( 1.286 2.471 0.307) 2.802 10.585 ( -1.533 -0.831 -0.323) 1.774 10.585 ( -1.533 -0.831 0.323) 1.774 11.011 ( 1.316 1.194 -0.713) 1.914 11.011 ( 1.316 1.194 0.713) 1.914 11.078 ( -2.128 -1.112 -0.340) 2.425 11.078 ( -2.128 -1.112 0.340) 2.425 11.486 ( 3.837 5.723 -1.830) 7.129 11.486 ( 3.837 5.723 1.830) 7.129 11.718 ( -3.006 -10.486 -2.470) 11.184 11.718 ( -3.006 -10.486 2.470) 11.184 13.355 ( 0.160 7.424 -0.286) 7.431 13.355 ( 0.160 7.424 0.286) 7.431 13.486 ( -0.006 -5.229 -0.388) 5.244 13.486 ( -0.006 -5.229 0.388) 5.244 =================== 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 3/26880 10.0 518.270 543.977 572.854 0.000 0.000 0.000 3/26880 20.0 70.264 109.763 71.039 0.000 0.000 0.000 3/26880 30.0 21.980 37.941 22.344 0.000 0.000 0.000 3/26880 40.0 10.808 19.478 11.065 0.000 0.000 0.000 3/26880 50.0 6.717 12.331 6.893 0.000 0.000 0.000 3/26880 60.0 4.765 8.812 4.891 0.000 0.000 0.000 3/26880 70.0 3.667 6.796 3.761 0.000 0.000 0.000 3/26880 80.0 2.977 5.518 3.052 0.000 0.000 0.000 3/26880 90.0 2.508 4.647 2.569 0.000 0.000 0.000 3/26880 100.0 2.170 4.018 2.222 0.000 0.000 0.000 3/26880 110.0 1.916 3.546 1.960 0.000 0.000 0.000 3/26880 120.0 1.717 3.178 1.757 0.000 0.000 0.000 3/26880 130.0 1.558 2.884 1.593 0.000 0.000 0.000 3/26880 140.0 1.428 2.643 1.459 0.000 0.000 0.000 3/26880 150.0 1.319 2.441 1.347 0.000 0.000 0.000 3/26880 160.0 1.226 2.271 1.252 0.000 0.000 0.000 3/26880 170.0 1.146 2.124 1.170 0.000 0.000 0.000 3/26880 180.0 1.077 1.996 1.099 0.000 0.000 0.000 3/26880 190.0 1.016 1.883 1.036 0.000 0.000 0.000 3/26880 200.0 0.961 1.783 0.980 0.000 0.000 0.000 3/26880 210.0 0.913 1.694 0.930 0.000 0.000 0.000 3/26880 220.0 0.869 1.613 0.885 0.000 0.000 0.000 3/26880 230.0 0.829 1.541 0.845 0.000 0.000 0.000 3/26880 240.0 0.793 1.474 0.808 0.000 0.000 0.000 3/26880 250.0 0.760 1.414 0.774 0.000 0.000 0.000 3/26880 260.0 0.730 1.358 0.743 0.000 0.000 0.000 3/26880 270.0 0.702 1.307 0.715 0.000 0.000 0.000 3/26880 280.0 0.677 1.259 0.688 0.000 0.000 0.000 3/26880 290.0 0.653 1.215 0.664 0.000 0.000 0.000 3/26880 300.0 0.630 1.174 0.641 0.000 0.000 0.000 3/26880 310.0 0.610 1.136 0.620 0.000 0.000 0.000 3/26880 320.0 0.590 1.100 0.600 0.000 0.000 0.000 3/26880 330.0 0.572 1.066 0.582 0.000 0.000 0.000 3/26880 340.0 0.555 1.035 0.564 0.000 0.000 0.000 3/26880 350.0 0.539 1.005 0.548 0.000 0.000 0.000 3/26880 360.0 0.524 0.977 0.532 0.000 0.000 0.000 3/26880 370.0 0.509 0.950 0.518 0.000 0.000 0.000 3/26880 380.0 0.496 0.925 0.504 0.000 0.000 0.000 3/26880 390.0 0.483 0.901 0.491 0.000 0.000 0.000 3/26880 400.0 0.471 0.879 0.478 0.000 0.000 0.000 3/26880 410.0 0.459 0.857 0.467 0.000 0.000 0.000 3/26880 420.0 0.448 0.837 0.455 0.000 0.000 0.000 3/26880 430.0 0.438 0.817 0.445 0.000 0.000 0.000 3/26880 440.0 0.427 0.799 0.434 0.000 0.000 0.000 3/26880 450.0 0.418 0.781 0.425 0.000 0.000 0.000 3/26880 460.0 0.409 0.764 0.415 0.000 0.000 0.000 3/26880 470.0 0.400 0.747 0.406 0.000 0.000 0.000 3/26880 480.0 0.392 0.732 0.398 0.000 0.000 0.000 3/26880 490.0 0.384 0.717 0.390 0.000 0.000 0.000 3/26880 500.0 0.376 0.703 0.382 0.000 0.000 0.000 3/26880 510.0 0.368 0.689 0.374 0.000 0.000 0.000 3/26880 520.0 0.361 0.676 0.367 0.000 0.000 0.000 3/26880 530.0 0.354 0.663 0.360 0.000 0.000 0.000 3/26880 540.0 0.348 0.650 0.353 0.000 0.000 0.000 3/26880 550.0 0.342 0.639 0.347 0.000 0.000 0.000 3/26880 560.0 0.335 0.627 0.341 0.000 0.000 0.000 3/26880 570.0 0.329 0.616 0.335 0.000 0.000 0.000 3/26880 580.0 0.324 0.606 0.329 0.000 0.000 0.000 3/26880 590.0 0.318 0.595 0.323 0.000 0.000 0.000 3/26880 600.0 0.313 0.585 0.318 0.000 0.000 0.000 3/26880 610.0 0.308 0.576 0.313 0.000 0.000 0.000 3/26880 620.0 0.303 0.567 0.308 0.000 0.000 0.000 3/26880 630.0 0.298 0.558 0.303 0.000 0.000 0.000 3/26880 640.0 0.293 0.549 0.298 0.000 0.000 0.000 3/26880 650.0 0.289 0.540 0.293 0.000 0.000 0.000 3/26880 660.0 0.284 0.532 0.289 0.000 0.000 0.000 3/26880 670.0 0.280 0.524 0.284 0.000 0.000 0.000 3/26880 680.0 0.276 0.517 0.280 0.000 0.000 0.000 3/26880 690.0 0.272 0.509 0.276 0.000 0.000 0.000 3/26880 700.0 0.268 0.502 0.272 0.000 0.000 0.000 3/26880 710.0 0.264 0.495 0.268 0.000 0.000 0.000 3/26880 720.0 0.261 0.488 0.265 0.000 0.000 0.000 3/26880 730.0 0.257 0.481 0.261 0.000 0.000 0.000 3/26880 740.0 0.254 0.475 0.257 0.000 0.000 0.000 3/26880 750.0 0.250 0.468 0.254 0.000 0.000 0.000 3/26880 760.0 0.247 0.462 0.251 0.000 0.000 0.000 3/26880 770.0 0.244 0.456 0.247 0.000 0.000 0.000 3/26880 780.0 0.241 0.450 0.244 0.000 0.000 0.000 3/26880 790.0 0.238 0.445 0.241 0.000 0.000 0.000 3/26880 800.0 0.235 0.439 0.238 0.000 0.000 0.000 3/26880 810.0 0.232 0.434 0.235 0.000 0.000 0.000 3/26880 820.0 0.229 0.428 0.232 0.000 0.000 0.000 3/26880 830.0 0.226 0.423 0.229 0.000 0.000 0.000 3/26880 840.0 0.223 0.418 0.227 0.000 0.000 0.000 3/26880 850.0 0.221 0.413 0.224 0.000 0.000 0.000 3/26880 860.0 0.218 0.408 0.221 0.000 0.000 0.000 3/26880 870.0 0.216 0.404 0.219 0.000 0.000 0.000 3/26880 880.0 0.213 0.399 0.216 0.000 0.000 0.000 3/26880 890.0 0.211 0.395 0.214 0.000 0.000 0.000 3/26880 900.0 0.208 0.390 0.212 0.000 0.000 0.000 3/26880 910.0 0.206 0.386 0.209 0.000 0.000 0.000 3/26880 920.0 0.204 0.382 0.207 0.000 0.000 0.000 3/26880 930.0 0.202 0.378 0.205 0.000 0.000 0.000 3/26880 940.0 0.200 0.374 0.203 0.000 0.000 0.000 3/26880 950.0 0.197 0.370 0.200 0.000 0.000 0.000 3/26880 960.0 0.195 0.366 0.198 0.000 0.000 0.000 3/26880 970.0 0.193 0.362 0.196 0.000 0.000 0.000 3/26880 980.0 0.191 0.358 0.194 0.000 0.000 0.000 3/26880 990.0 0.189 0.355 0.192 0.000 0.000 0.000 3/26880 1000.0 0.188 0.351 0.190 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m578.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:25:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|