----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.080162340328358 0.000000000000000 0.000000000000000 b 0.000000000000000 7.603385380000000 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): *1 Na 0.01308890539898 0.99432748417713 0.29590576657773 22.990 2 Na 0.01308890539898 0.50567251582287 0.79590576657773 22.990 3 Na 0.98691109460102 0.00567251582287 0.70409423342227 22.990 4 Na 0.98691109460102 0.49432748417713 0.20409423342227 22.990 *5 H 0.40248875280709 0.04597655323138 0.11937995831469 1.008 6 H 0.40248875280709 0.45402344676862 0.61937995831469 1.008 7 H 0.59751124719291 0.95402344676862 0.88062004168531 1.008 8 H 0.59751124719291 0.54597655323138 0.38062004168531 1.008 *9 S 0.40765321481470 0.77753110700248 0.06190013172024 32.065 10 S 0.40765321481470 0.72246889299752 0.56190013172024 32.065 11 S 0.59234678518530 0.22246889299751 0.93809986827976 32.065 12 S 0.59234678518530 0.27753110700249 0.43809986827976 32.065 *13 O 0.70473703321475 0.75413381832502 0.16409759494185 15.999 14 O 0.70473703321475 0.74586618167498 0.66409759494186 15.999 15 O 0.29526296678525 0.24586618167499 0.83590240505814 15.999 16 O 0.29526296678525 0.25413381832502 0.33590240505814 15.999 *17 O 0.37858886500559 0.83050557870815 0.90242187855371 15.999 18 O 0.37858886500559 0.66949442129185 0.40242187855371 15.999 19 O 0.62141113499441 0.16949442129185 0.09757812144629 15.999 20 O 0.62141113499441 0.33050557870815 0.59757812144629 15.999 *21 O 0.28796099806439 0.93592981161659 0.12884131096656 15.999 22 O 0.28796099806439 0.56407018838341 0.62884131096656 15.999 23 O 0.71203900193561 0.06407018838341 0.87115868903344 15.999 24 O 0.71203900193561 0.43592981161659 0.37115868903344 15.999 *25 O 0.22535092286194 0.62865402343912 0.05622485206496 15.999 26 O 0.22535092286194 0.87134597656088 0.55622485206496 15.999 27 O 0.77464907713806 0.37134597656088 0.94377514793504 15.999 28 O 0.77464907713806 0.12865402343912 0.44377514793504 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.080162340328358 0.000000000000000 0.000000000000000 b 0.000000000000000 7.603385380000000 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): *1 Na 0.01308890539898 0.99432748417713 0.29590576657773 22.990 > 1 2 Na 0.01308890539898 0.50567251582287 0.79590576657773 22.990 > 2 3 Na 0.98691109460102 0.00567251582287 0.70409423342227 22.990 > 3 4 Na 0.98691109460102 0.49432748417713 0.20409423342227 22.990 > 4 *5 H 0.40248875280709 0.04597655323138 0.11937995831469 1.008 > 5 6 H 0.40248875280709 0.45402344676862 0.61937995831469 1.008 > 6 7 H 0.59751124719291 0.95402344676862 0.88062004168531 1.008 > 7 8 H 0.59751124719291 0.54597655323138 0.38062004168531 1.008 > 8 *9 S 0.40765321481470 0.77753110700248 0.06190013172024 32.065 > 9 10 S 0.40765321481470 0.72246889299752 0.56190013172024 32.065 > 10 11 S 0.59234678518530 0.22246889299751 0.93809986827976 32.065 > 11 12 S 0.59234678518530 0.27753110700249 0.43809986827976 32.065 > 12 *13 O 0.70473703321475 0.75413381832502 0.16409759494185 15.999 > 13 14 O 0.70473703321475 0.74586618167498 0.66409759494186 15.999 > 14 15 O 0.29526296678525 0.24586618167499 0.83590240505814 15.999 > 15 16 O 0.29526296678525 0.25413381832502 0.33590240505814 15.999 > 16 *17 O 0.37858886500559 0.83050557870815 0.90242187855371 15.999 > 17 18 O 0.37858886500559 0.66949442129185 0.40242187855371 15.999 > 18 19 O 0.62141113499441 0.16949442129185 0.09757812144629 15.999 > 19 20 O 0.62141113499441 0.33050557870815 0.59757812144629 15.999 > 20 *21 O 0.28796099806439 0.93592981161659 0.12884131096656 15.999 > 21 22 O 0.28796099806439 0.56407018838341 0.62884131096656 15.999 > 22 23 O 0.71203900193561 0.06407018838341 0.87115868903344 15.999 > 23 24 O 0.71203900193561 0.43592981161659 0.37115868903344 15.999 > 24 *25 O 0.22535092286194 0.62865402343912 0.05622485206496 15.999 > 25 26 O 0.22535092286194 0.87134597656088 0.55622485206496 15.999 > 26 27 O 0.77464907713806 0.37134597656088 0.94377514793504 15.999 > 27 28 O 0.77464907713806 0.12865402343912 0.44377514793504 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.160324680656716 0.000000000000000 0.000000000000000 b 0.000000000000000 15.206770759999999 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): *1 Na 0.00654445269949 0.49716374208856 0.29590576657773 22.990 > 1 2 Na 0.50654445269949 0.49716374208856 0.29590576657773 22.990 > 1 3 Na 0.00654445269949 0.99716374208856 0.29590576657773 22.990 > 1 4 Na 0.50654445269949 0.99716374208856 0.29590576657773 22.990 > 1 5 Na 0.00654445269949 0.25283625791144 0.79590576657773 22.990 > 2 6 Na 0.50654445269949 0.25283625791144 0.79590576657773 22.990 > 2 7 Na 0.00654445269949 0.75283625791144 0.79590576657773 22.990 > 2 8 Na 0.50654445269949 0.75283625791144 0.79590576657773 22.990 > 2 9 Na 0.49345554730051 0.00283625791144 0.70409423342227 22.990 > 3 10 Na 0.99345554730051 0.00283625791144 0.70409423342227 22.990 > 3 11 Na 0.49345554730051 0.50283625791144 0.70409423342227 22.990 > 3 12 Na 0.99345554730051 0.50283625791144 0.70409423342227 22.990 > 3 13 Na 0.49345554730051 0.24716374208856 0.20409423342227 22.990 > 4 14 Na 0.99345554730051 0.24716374208856 0.20409423342227 22.990 > 4 15 Na 0.49345554730051 0.74716374208856 0.20409423342227 22.990 > 4 16 Na 0.99345554730051 0.74716374208856 0.20409423342227 22.990 > 4 *17 H 0.20124437640354 0.02298827661569 0.11937995831469 1.008 > 5 18 H 0.70124437640354 0.02298827661569 0.11937995831469 1.008 > 5 19 H 0.20124437640354 0.52298827661569 0.11937995831469 1.008 > 5 20 H 0.70124437640354 0.52298827661569 0.11937995831469 1.008 > 5 21 H 0.20124437640354 0.22701172338431 0.61937995831469 1.008 > 6 22 H 0.70124437640354 0.22701172338431 0.61937995831469 1.008 > 6 23 H 0.20124437640354 0.72701172338431 0.61937995831469 1.008 > 6 24 H 0.70124437640354 0.72701172338431 0.61937995831469 1.008 > 6 25 H 0.29875562359646 0.47701172338431 0.88062004168531 1.008 > 7 26 H 0.79875562359646 0.47701172338431 0.88062004168531 1.008 > 7 27 H 0.29875562359646 0.97701172338431 0.88062004168531 1.008 > 7 28 H 0.79875562359646 0.97701172338431 0.88062004168531 1.008 > 7 29 H 0.29875562359646 0.27298827661569 0.38062004168531 1.008 > 8 30 H 0.79875562359646 0.27298827661569 0.38062004168531 1.008 > 8 31 H 0.29875562359646 0.77298827661569 0.38062004168531 1.008 > 8 32 H 0.79875562359646 0.77298827661569 0.38062004168531 1.008 > 8 *33 S 0.20382660740735 0.38876555350124 0.06190013172024 32.065 > 9 34 S 0.70382660740735 0.38876555350124 0.06190013172024 32.065 > 9 35 S 0.20382660740735 0.88876555350124 0.06190013172024 32.065 > 9 36 S 0.70382660740735 0.88876555350124 0.06190013172024 32.065 > 9 37 S 0.20382660740735 0.36123444649876 0.56190013172024 32.065 > 10 38 S 0.70382660740735 0.36123444649876 0.56190013172024 32.065 > 10 39 S 0.20382660740735 0.86123444649876 0.56190013172024 32.065 > 10 40 S 0.70382660740735 0.86123444649876 0.56190013172024 32.065 > 10 41 S 0.29617339259265 0.11123444649876 0.93809986827976 32.065 > 11 42 S 0.79617339259265 0.11123444649876 0.93809986827976 32.065 > 11 43 S 0.29617339259265 0.61123444649876 0.93809986827976 32.065 > 11 44 S 0.79617339259265 0.61123444649876 0.93809986827976 32.065 > 11 45 S 0.29617339259265 0.13876555350124 0.43809986827976 32.065 > 12 46 S 0.79617339259265 0.13876555350124 0.43809986827976 32.065 > 12 47 S 0.29617339259265 0.63876555350124 0.43809986827976 32.065 > 12 48 S 0.79617339259265 0.63876555350124 0.43809986827976 32.065 > 12 *49 O 0.35236851660737 0.37706690916251 0.16409759494185 15.999 > 13 50 O 0.85236851660737 0.37706690916251 0.16409759494185 15.999 > 13 51 O 0.35236851660737 0.87706690916251 0.16409759494185 15.999 > 13 52 O 0.85236851660737 0.87706690916251 0.16409759494185 15.999 > 13 53 O 0.35236851660737 0.37293309083749 0.66409759494186 15.999 > 14 54 O 0.85236851660737 0.37293309083749 0.66409759494186 15.999 > 14 55 O 0.35236851660737 0.87293309083749 0.66409759494186 15.999 > 14 56 O 0.85236851660737 0.87293309083749 0.66409759494186 15.999 > 14 57 O 0.14763148339263 0.12293309083749 0.83590240505814 15.999 > 15 58 O 0.64763148339263 0.12293309083749 0.83590240505814 15.999 > 15 59 O 0.14763148339263 0.62293309083749 0.83590240505814 15.999 > 15 60 O 0.64763148339263 0.62293309083749 0.83590240505814 15.999 > 15 61 O 0.14763148339263 0.12706690916251 0.33590240505814 15.999 > 16 62 O 0.64763148339263 0.12706690916251 0.33590240505814 15.999 > 16 63 O 0.14763148339263 0.62706690916251 0.33590240505814 15.999 > 16 64 O 0.64763148339263 0.62706690916251 0.33590240505814 15.999 > 16 *65 O 0.18929443250280 0.41525278935408 0.90242187855371 15.999 > 17 66 O 0.68929443250280 0.41525278935408 0.90242187855371 15.999 > 17 67 O 0.18929443250280 0.91525278935408 0.90242187855371 15.999 > 17 68 O 0.68929443250280 0.91525278935408 0.90242187855371 15.999 > 17 69 O 0.18929443250280 0.33474721064592 0.40242187855371 15.999 > 18 70 O 0.68929443250280 0.33474721064592 0.40242187855371 15.999 > 18 71 O 0.18929443250280 0.83474721064592 0.40242187855371 15.999 > 18 72 O 0.68929443250280 0.83474721064592 0.40242187855371 15.999 > 18 73 O 0.31070556749720 0.08474721064592 0.09757812144629 15.999 > 19 74 O 0.81070556749720 0.08474721064592 0.09757812144629 15.999 > 19 75 O 0.31070556749720 0.58474721064592 0.09757812144629 15.999 > 19 76 O 0.81070556749720 0.58474721064592 0.09757812144629 15.999 > 19 77 O 0.31070556749720 0.16525278935408 0.59757812144629 15.999 > 20 78 O 0.81070556749720 0.16525278935408 0.59757812144629 15.999 > 20 79 O 0.31070556749720 0.66525278935408 0.59757812144629 15.999 > 20 80 O 0.81070556749720 0.66525278935408 0.59757812144629 15.999 > 20 *81 O 0.14398049903219 0.46796490580829 0.12884131096656 15.999 > 21 82 O 0.64398049903219 0.46796490580829 0.12884131096656 15.999 > 21 83 O 0.14398049903219 0.96796490580829 0.12884131096656 15.999 > 21 84 O 0.64398049903219 0.96796490580829 0.12884131096656 15.999 > 21 85 O 0.14398049903219 0.28203509419171 0.62884131096656 15.999 > 22 86 O 0.64398049903219 0.28203509419171 0.62884131096656 15.999 > 22 87 O 0.14398049903219 0.78203509419171 0.62884131096656 15.999 > 22 88 O 0.64398049903219 0.78203509419171 0.62884131096656 15.999 > 22 89 O 0.35601950096781 0.03203509419171 0.87115868903344 15.999 > 23 90 O 0.85601950096781 0.03203509419171 0.87115868903344 15.999 > 23 91 O 0.35601950096781 0.53203509419171 0.87115868903344 15.999 > 23 92 O 0.85601950096781 0.53203509419171 0.87115868903344 15.999 > 23 93 O 0.35601950096781 0.21796490580829 0.37115868903344 15.999 > 24 94 O 0.85601950096781 0.21796490580829 0.37115868903344 15.999 > 24 95 O 0.35601950096781 0.71796490580829 0.37115868903344 15.999 > 24 96 O 0.85601950096781 0.71796490580829 0.37115868903344 15.999 > 24 *97 O 0.11267546143097 0.31432701171956 0.05622485206496 15.999 > 25 98 O 0.61267546143097 0.31432701171956 0.05622485206496 15.999 > 25 99 O 0.11267546143097 0.81432701171956 0.05622485206496 15.999 > 25 100 O 0.61267546143097 0.81432701171956 0.05622485206496 15.999 > 25 101 O 0.11267546143097 0.43567298828044 0.55622485206496 15.999 > 26 102 O 0.61267546143097 0.43567298828044 0.55622485206496 15.999 > 26 103 O 0.11267546143097 0.93567298828044 0.55622485206496 15.999 > 26 104 O 0.61267546143097 0.93567298828044 0.55622485206496 15.999 > 26 105 O 0.38732453856903 0.18567298828044 0.94377514793504 15.999 > 27 106 O 0.88732453856903 0.18567298828044 0.94377514793504 15.999 > 27 107 O 0.38732453856903 0.68567298828044 0.94377514793504 15.999 > 27 108 O 0.88732453856903 0.68567298828044 0.94377514793504 15.999 > 27 109 O 0.38732453856903 0.06432701171956 0.44377514793504 15.999 > 28 110 O 0.88732453856903 0.06432701171956 0.44377514793504 15.999 > 28 111 O 0.38732453856903 0.56432701171956 0.44377514793504 15.999 > 28 112 O 0.88732453856903 0.56432701171956 0.44377514793504 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2293412 0.0000000 -0.0247306 0.0000000 2.3261220 0.0000000 -0.0247309 0.0000000 2.2173345 -------------------------- Born effective charges -------------------------- 1 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 2 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 3 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 4 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 5 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 6 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 7 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 8 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 9 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 10 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 11 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 12 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 13 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 14 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 15 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 16 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 17 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 18 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 19 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 20 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 21 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 22 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 23 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 24 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 25 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 26 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 27 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 28 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.078 Solver_block: 200 / 880 - Time: 0.937 Solver_block: 300 / 880 - Time: 0.943 Solver_block: 400 / 880 - Time: 0.949 Solver_block: 500 / 880 - Time: 0.936 Solver_block: 600 / 880 - Time: 0.951 Solver_block: 700 / 880 - Time: 0.937 Solver_block: 800 / 880 - Time: 0.944 Solver_block: 880 / 880 - Time: 0.771 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.620 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 20:50:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:50:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.080162340328358 0.000000000000000 0.000000000000000 b 0.000000000000000 7.603385380000000 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): 1 Na 0.01308890539898 0.99432748417713 0.29590576657773 22.990 2 Na 0.01308890539898 0.50567251582287 0.79590576657773 22.990 3 Na 0.98691109460102 0.00567251582287 0.70409423342227 22.990 4 Na 0.98691109460102 0.49432748417713 0.20409423342227 22.990 5 H 0.40248875280709 0.04597655323138 0.11937995831469 1.008 6 H 0.40248875280709 0.45402344676862 0.61937995831469 1.008 7 H 0.59751124719291 0.95402344676862 0.88062004168531 1.008 8 H 0.59751124719291 0.54597655323138 0.38062004168531 1.008 9 S 0.40765321481470 0.77753110700248 0.06190013172024 32.065 10 S 0.40765321481470 0.72246889299752 0.56190013172024 32.065 11 S 0.59234678518530 0.22246889299751 0.93809986827976 32.065 12 S 0.59234678518530 0.27753110700249 0.43809986827976 32.065 13 O 0.70473703321475 0.75413381832502 0.16409759494185 15.999 14 O 0.70473703321475 0.74586618167498 0.66409759494186 15.999 15 O 0.29526296678525 0.24586618167499 0.83590240505814 15.999 16 O 0.29526296678525 0.25413381832502 0.33590240505814 15.999 17 O 0.37858886500559 0.83050557870815 0.90242187855371 15.999 18 O 0.37858886500559 0.66949442129185 0.40242187855371 15.999 19 O 0.62141113499441 0.16949442129185 0.09757812144629 15.999 20 O 0.62141113499441 0.33050557870815 0.59757812144629 15.999 21 O 0.28796099806439 0.93592981161659 0.12884131096656 15.999 22 O 0.28796099806439 0.56407018838341 0.62884131096656 15.999 23 O 0.71203900193561 0.06407018838341 0.87115868903344 15.999 24 O 0.71203900193561 0.43592981161659 0.37115868903344 15.999 25 O 0.22535092286194 0.62865402343912 0.05622485206496 15.999 26 O 0.22535092286194 0.87134597656088 0.55622485206496 15.999 27 O 0.77464907713806 0.37134597656088 0.94377514793504 15.999 28 O 0.77464907713806 0.12865402343912 0.44377514793504 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.160324680656716 0.000000000000000 0.000000000000000 b 0.000000000000000 15.206770759999999 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): 1 Na 0.00654445269949 0.49716374208856 0.29590576657773 22.990 > 1 2 Na 0.50654445269949 0.49716374208856 0.29590576657773 22.990 > 1 3 Na 0.00654445269949 0.99716374208856 0.29590576657773 22.990 > 1 4 Na 0.50654445269949 0.99716374208856 0.29590576657773 22.990 > 1 5 Na 0.00654445269949 0.25283625791144 0.79590576657773 22.990 > 5 6 Na 0.50654445269949 0.25283625791144 0.79590576657773 22.990 > 5 7 Na 0.00654445269949 0.75283625791144 0.79590576657773 22.990 > 5 8 Na 0.50654445269949 0.75283625791144 0.79590576657773 22.990 > 5 9 Na 0.49345554730051 0.00283625791144 0.70409423342227 22.990 > 9 10 Na 0.99345554730051 0.00283625791144 0.70409423342227 22.990 > 9 11 Na 0.49345554730051 0.50283625791144 0.70409423342227 22.990 > 9 12 Na 0.99345554730051 0.50283625791144 0.70409423342227 22.990 > 9 13 Na 0.49345554730051 0.24716374208856 0.20409423342227 22.990 > 13 14 Na 0.99345554730051 0.24716374208856 0.20409423342227 22.990 > 13 15 Na 0.49345554730051 0.74716374208856 0.20409423342227 22.990 > 13 16 Na 0.99345554730051 0.74716374208856 0.20409423342227 22.990 > 13 17 H 0.20124437640354 0.02298827661569 0.11937995831469 1.008 > 17 18 H 0.70124437640354 0.02298827661569 0.11937995831469 1.008 > 17 19 H 0.20124437640354 0.52298827661569 0.11937995831469 1.008 > 17 20 H 0.70124437640354 0.52298827661569 0.11937995831469 1.008 > 17 21 H 0.20124437640354 0.22701172338431 0.61937995831469 1.008 > 21 22 H 0.70124437640354 0.22701172338431 0.61937995831469 1.008 > 21 23 H 0.20124437640354 0.72701172338431 0.61937995831469 1.008 > 21 24 H 0.70124437640354 0.72701172338431 0.61937995831469 1.008 > 21 25 H 0.29875562359646 0.47701172338431 0.88062004168531 1.008 > 25 26 H 0.79875562359646 0.47701172338431 0.88062004168531 1.008 > 25 27 H 0.29875562359646 0.97701172338431 0.88062004168531 1.008 > 25 28 H 0.79875562359646 0.97701172338431 0.88062004168531 1.008 > 25 29 H 0.29875562359646 0.27298827661569 0.38062004168531 1.008 > 29 30 H 0.79875562359646 0.27298827661569 0.38062004168531 1.008 > 29 31 H 0.29875562359646 0.77298827661569 0.38062004168531 1.008 > 29 32 H 0.79875562359646 0.77298827661569 0.38062004168531 1.008 > 29 33 S 0.20382660740735 0.38876555350124 0.06190013172024 32.065 > 33 34 S 0.70382660740735 0.38876555350124 0.06190013172024 32.065 > 33 35 S 0.20382660740735 0.88876555350124 0.06190013172024 32.065 > 33 36 S 0.70382660740735 0.88876555350124 0.06190013172024 32.065 > 33 37 S 0.20382660740735 0.36123444649876 0.56190013172024 32.065 > 37 38 S 0.70382660740735 0.36123444649876 0.56190013172024 32.065 > 37 39 S 0.20382660740735 0.86123444649876 0.56190013172024 32.065 > 37 40 S 0.70382660740735 0.86123444649876 0.56190013172024 32.065 > 37 41 S 0.29617339259265 0.11123444649876 0.93809986827976 32.065 > 41 42 S 0.79617339259265 0.11123444649876 0.93809986827976 32.065 > 41 43 S 0.29617339259265 0.61123444649876 0.93809986827976 32.065 > 41 44 S 0.79617339259265 0.61123444649876 0.93809986827976 32.065 > 41 45 S 0.29617339259265 0.13876555350124 0.43809986827976 32.065 > 45 46 S 0.79617339259265 0.13876555350124 0.43809986827976 32.065 > 45 47 S 0.29617339259265 0.63876555350124 0.43809986827976 32.065 > 45 48 S 0.79617339259265 0.63876555350124 0.43809986827976 32.065 > 45 49 O 0.35236851660737 0.37706690916251 0.16409759494185 15.999 > 49 50 O 0.85236851660737 0.37706690916251 0.16409759494185 15.999 > 49 51 O 0.35236851660737 0.87706690916251 0.16409759494185 15.999 > 49 52 O 0.85236851660737 0.87706690916251 0.16409759494185 15.999 > 49 53 O 0.35236851660737 0.37293309083749 0.66409759494186 15.999 > 53 54 O 0.85236851660737 0.37293309083749 0.66409759494186 15.999 > 53 55 O 0.35236851660737 0.87293309083749 0.66409759494186 15.999 > 53 56 O 0.85236851660737 0.87293309083749 0.66409759494186 15.999 > 53 57 O 0.14763148339263 0.12293309083749 0.83590240505814 15.999 > 57 58 O 0.64763148339263 0.12293309083749 0.83590240505814 15.999 > 57 59 O 0.14763148339263 0.62293309083749 0.83590240505814 15.999 > 57 60 O 0.64763148339263 0.62293309083749 0.83590240505814 15.999 > 57 61 O 0.14763148339263 0.12706690916251 0.33590240505814 15.999 > 61 62 O 0.64763148339263 0.12706690916251 0.33590240505814 15.999 > 61 63 O 0.14763148339263 0.62706690916251 0.33590240505814 15.999 > 61 64 O 0.64763148339263 0.62706690916251 0.33590240505814 15.999 > 61 65 O 0.18929443250280 0.41525278935408 0.90242187855371 15.999 > 65 66 O 0.68929443250280 0.41525278935408 0.90242187855371 15.999 > 65 67 O 0.18929443250280 0.91525278935408 0.90242187855371 15.999 > 65 68 O 0.68929443250280 0.91525278935408 0.90242187855371 15.999 > 65 69 O 0.18929443250280 0.33474721064592 0.40242187855371 15.999 > 69 70 O 0.68929443250280 0.33474721064592 0.40242187855371 15.999 > 69 71 O 0.18929443250280 0.83474721064592 0.40242187855371 15.999 > 69 72 O 0.68929443250280 0.83474721064592 0.40242187855371 15.999 > 69 73 O 0.31070556749720 0.08474721064592 0.09757812144629 15.999 > 73 74 O 0.81070556749720 0.08474721064592 0.09757812144629 15.999 > 73 75 O 0.31070556749720 0.58474721064592 0.09757812144629 15.999 > 73 76 O 0.81070556749720 0.58474721064592 0.09757812144629 15.999 > 73 77 O 0.31070556749720 0.16525278935408 0.59757812144629 15.999 > 77 78 O 0.81070556749720 0.16525278935408 0.59757812144629 15.999 > 77 79 O 0.31070556749720 0.66525278935408 0.59757812144629 15.999 > 77 80 O 0.81070556749720 0.66525278935408 0.59757812144629 15.999 > 77 81 O 0.14398049903219 0.46796490580829 0.12884131096656 15.999 > 81 82 O 0.64398049903219 0.46796490580829 0.12884131096656 15.999 > 81 83 O 0.14398049903219 0.96796490580829 0.12884131096656 15.999 > 81 84 O 0.64398049903219 0.96796490580829 0.12884131096656 15.999 > 81 85 O 0.14398049903219 0.28203509419171 0.62884131096656 15.999 > 85 86 O 0.64398049903219 0.28203509419171 0.62884131096656 15.999 > 85 87 O 0.14398049903219 0.78203509419171 0.62884131096656 15.999 > 85 88 O 0.64398049903219 0.78203509419171 0.62884131096656 15.999 > 85 89 O 0.35601950096781 0.03203509419171 0.87115868903344 15.999 > 89 90 O 0.85601950096781 0.03203509419171 0.87115868903344 15.999 > 89 91 O 0.35601950096781 0.53203509419171 0.87115868903344 15.999 > 89 92 O 0.85601950096781 0.53203509419171 0.87115868903344 15.999 > 89 93 O 0.35601950096781 0.21796490580829 0.37115868903344 15.999 > 93 94 O 0.85601950096781 0.21796490580829 0.37115868903344 15.999 > 93 95 O 0.35601950096781 0.71796490580829 0.37115868903344 15.999 > 93 96 O 0.85601950096781 0.71796490580829 0.37115868903344 15.999 > 93 97 O 0.11267546143097 0.31432701171956 0.05622485206496 15.999 > 97 98 O 0.61267546143097 0.31432701171956 0.05622485206496 15.999 > 97 99 O 0.11267546143097 0.81432701171956 0.05622485206496 15.999 > 97 100 O 0.61267546143097 0.81432701171956 0.05622485206496 15.999 > 97 101 O 0.11267546143097 0.43567298828044 0.55622485206496 15.999 > 101 102 O 0.61267546143097 0.43567298828044 0.55622485206496 15.999 > 101 103 O 0.11267546143097 0.93567298828044 0.55622485206496 15.999 > 101 104 O 0.61267546143097 0.93567298828044 0.55622485206496 15.999 > 101 105 O 0.38732453856903 0.18567298828044 0.94377514793504 15.999 > 105 106 O 0.88732453856903 0.18567298828044 0.94377514793504 15.999 > 105 107 O 0.38732453856903 0.68567298828044 0.94377514793504 15.999 > 105 108 O 0.88732453856903 0.68567298828044 0.94377514793504 15.999 > 105 109 O 0.38732453856903 0.06432701171956 0.44377514793504 15.999 > 109 110 O 0.88732453856903 0.06432701171956 0.44377514793504 15.999 > 109 111 O 0.38732453856903 0.56432701171956 0.44377514793504 15.999 > 109 112 O 0.88732453856903 0.56432701171956 0.44377514793504 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2293412 0.0000000 -0.0247306 0.0000000 2.3261220 0.0000000 -0.0247309 0.0000000 2.2173345 -------------------------- Born effective charges -------------------------- 1 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 2 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 3 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 4 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 5 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 6 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 7 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 8 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 9 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 10 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 11 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 12 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 13 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 14 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 15 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 16 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 17 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 18 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 19 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 20 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 21 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 22 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 23 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 24 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 25 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 26 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 27 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 28 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) 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 20:51:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:51:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.080162340328358 0.000000000000000 0.000000000000000 b 0.000000000000000 7.603385380000000 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): 1 Na 0.01308890539898 0.99432748417713 0.29590576657773 22.990 2 Na 0.01308890539898 0.50567251582287 0.79590576657773 22.990 3 Na 0.98691109460102 0.00567251582287 0.70409423342227 22.990 4 Na 0.98691109460102 0.49432748417713 0.20409423342227 22.990 5 H 0.40248875280709 0.04597655323138 0.11937995831469 1.008 6 H 0.40248875280709 0.45402344676862 0.61937995831469 1.008 7 H 0.59751124719291 0.95402344676862 0.88062004168531 1.008 8 H 0.59751124719291 0.54597655323138 0.38062004168531 1.008 9 S 0.40765321481470 0.77753110700248 0.06190013172024 32.065 10 S 0.40765321481470 0.72246889299752 0.56190013172024 32.065 11 S 0.59234678518530 0.22246889299751 0.93809986827976 32.065 12 S 0.59234678518530 0.27753110700249 0.43809986827976 32.065 13 O 0.70473703321475 0.75413381832502 0.16409759494185 15.999 14 O 0.70473703321475 0.74586618167498 0.66409759494186 15.999 15 O 0.29526296678525 0.24586618167499 0.83590240505814 15.999 16 O 0.29526296678525 0.25413381832502 0.33590240505814 15.999 17 O 0.37858886500559 0.83050557870815 0.90242187855371 15.999 18 O 0.37858886500559 0.66949442129185 0.40242187855371 15.999 19 O 0.62141113499441 0.16949442129185 0.09757812144629 15.999 20 O 0.62141113499441 0.33050557870815 0.59757812144629 15.999 21 O 0.28796099806439 0.93592981161659 0.12884131096656 15.999 22 O 0.28796099806439 0.56407018838341 0.62884131096656 15.999 23 O 0.71203900193561 0.06407018838341 0.87115868903344 15.999 24 O 0.71203900193561 0.43592981161659 0.37115868903344 15.999 25 O 0.22535092286194 0.62865402343912 0.05622485206496 15.999 26 O 0.22535092286194 0.87134597656088 0.55622485206496 15.999 27 O 0.77464907713806 0.37134597656088 0.94377514793504 15.999 28 O 0.77464907713806 0.12865402343912 0.44377514793504 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.160324680656716 0.000000000000000 0.000000000000000 b 0.000000000000000 15.206770759999999 0.000000000000000 c -3.470853714466275 0.000000000000000 8.594255747936559 Atomic positions (fractional): 1 Na 0.00654445269949 0.49716374208856 0.29590576657773 22.990 > 1 2 Na 0.50654445269949 0.49716374208856 0.29590576657773 22.990 > 1 3 Na 0.00654445269949 0.99716374208856 0.29590576657773 22.990 > 1 4 Na 0.50654445269949 0.99716374208856 0.29590576657773 22.990 > 1 5 Na 0.00654445269949 0.25283625791144 0.79590576657773 22.990 > 5 6 Na 0.50654445269949 0.25283625791144 0.79590576657773 22.990 > 5 7 Na 0.00654445269949 0.75283625791144 0.79590576657773 22.990 > 5 8 Na 0.50654445269949 0.75283625791144 0.79590576657773 22.990 > 5 9 Na 0.49345554730051 0.00283625791144 0.70409423342227 22.990 > 9 10 Na 0.99345554730051 0.00283625791144 0.70409423342227 22.990 > 9 11 Na 0.49345554730051 0.50283625791144 0.70409423342227 22.990 > 9 12 Na 0.99345554730051 0.50283625791144 0.70409423342227 22.990 > 9 13 Na 0.49345554730051 0.24716374208856 0.20409423342227 22.990 > 13 14 Na 0.99345554730051 0.24716374208856 0.20409423342227 22.990 > 13 15 Na 0.49345554730051 0.74716374208856 0.20409423342227 22.990 > 13 16 Na 0.99345554730051 0.74716374208856 0.20409423342227 22.990 > 13 17 H 0.20124437640354 0.02298827661569 0.11937995831469 1.008 > 17 18 H 0.70124437640354 0.02298827661569 0.11937995831469 1.008 > 17 19 H 0.20124437640354 0.52298827661569 0.11937995831469 1.008 > 17 20 H 0.70124437640354 0.52298827661569 0.11937995831469 1.008 > 17 21 H 0.20124437640354 0.22701172338431 0.61937995831469 1.008 > 21 22 H 0.70124437640354 0.22701172338431 0.61937995831469 1.008 > 21 23 H 0.20124437640354 0.72701172338431 0.61937995831469 1.008 > 21 24 H 0.70124437640354 0.72701172338431 0.61937995831469 1.008 > 21 25 H 0.29875562359646 0.47701172338431 0.88062004168531 1.008 > 25 26 H 0.79875562359646 0.47701172338431 0.88062004168531 1.008 > 25 27 H 0.29875562359646 0.97701172338431 0.88062004168531 1.008 > 25 28 H 0.79875562359646 0.97701172338431 0.88062004168531 1.008 > 25 29 H 0.29875562359646 0.27298827661569 0.38062004168531 1.008 > 29 30 H 0.79875562359646 0.27298827661569 0.38062004168531 1.008 > 29 31 H 0.29875562359646 0.77298827661569 0.38062004168531 1.008 > 29 32 H 0.79875562359646 0.77298827661569 0.38062004168531 1.008 > 29 33 S 0.20382660740735 0.38876555350124 0.06190013172024 32.065 > 33 34 S 0.70382660740735 0.38876555350124 0.06190013172024 32.065 > 33 35 S 0.20382660740735 0.88876555350124 0.06190013172024 32.065 > 33 36 S 0.70382660740735 0.88876555350124 0.06190013172024 32.065 > 33 37 S 0.20382660740735 0.36123444649876 0.56190013172024 32.065 > 37 38 S 0.70382660740735 0.36123444649876 0.56190013172024 32.065 > 37 39 S 0.20382660740735 0.86123444649876 0.56190013172024 32.065 > 37 40 S 0.70382660740735 0.86123444649876 0.56190013172024 32.065 > 37 41 S 0.29617339259265 0.11123444649876 0.93809986827976 32.065 > 41 42 S 0.79617339259265 0.11123444649876 0.93809986827976 32.065 > 41 43 S 0.29617339259265 0.61123444649876 0.93809986827976 32.065 > 41 44 S 0.79617339259265 0.61123444649876 0.93809986827976 32.065 > 41 45 S 0.29617339259265 0.13876555350124 0.43809986827976 32.065 > 45 46 S 0.79617339259265 0.13876555350124 0.43809986827976 32.065 > 45 47 S 0.29617339259265 0.63876555350124 0.43809986827976 32.065 > 45 48 S 0.79617339259265 0.63876555350124 0.43809986827976 32.065 > 45 49 O 0.35236851660737 0.37706690916251 0.16409759494185 15.999 > 49 50 O 0.85236851660737 0.37706690916251 0.16409759494185 15.999 > 49 51 O 0.35236851660737 0.87706690916251 0.16409759494185 15.999 > 49 52 O 0.85236851660737 0.87706690916251 0.16409759494185 15.999 > 49 53 O 0.35236851660737 0.37293309083749 0.66409759494186 15.999 > 53 54 O 0.85236851660737 0.37293309083749 0.66409759494186 15.999 > 53 55 O 0.35236851660737 0.87293309083749 0.66409759494186 15.999 > 53 56 O 0.85236851660737 0.87293309083749 0.66409759494186 15.999 > 53 57 O 0.14763148339263 0.12293309083749 0.83590240505814 15.999 > 57 58 O 0.64763148339263 0.12293309083749 0.83590240505814 15.999 > 57 59 O 0.14763148339263 0.62293309083749 0.83590240505814 15.999 > 57 60 O 0.64763148339263 0.62293309083749 0.83590240505814 15.999 > 57 61 O 0.14763148339263 0.12706690916251 0.33590240505814 15.999 > 61 62 O 0.64763148339263 0.12706690916251 0.33590240505814 15.999 > 61 63 O 0.14763148339263 0.62706690916251 0.33590240505814 15.999 > 61 64 O 0.64763148339263 0.62706690916251 0.33590240505814 15.999 > 61 65 O 0.18929443250280 0.41525278935408 0.90242187855371 15.999 > 65 66 O 0.68929443250280 0.41525278935408 0.90242187855371 15.999 > 65 67 O 0.18929443250280 0.91525278935408 0.90242187855371 15.999 > 65 68 O 0.68929443250280 0.91525278935408 0.90242187855371 15.999 > 65 69 O 0.18929443250280 0.33474721064592 0.40242187855371 15.999 > 69 70 O 0.68929443250280 0.33474721064592 0.40242187855371 15.999 > 69 71 O 0.18929443250280 0.83474721064592 0.40242187855371 15.999 > 69 72 O 0.68929443250280 0.83474721064592 0.40242187855371 15.999 > 69 73 O 0.31070556749720 0.08474721064592 0.09757812144629 15.999 > 73 74 O 0.81070556749720 0.08474721064592 0.09757812144629 15.999 > 73 75 O 0.31070556749720 0.58474721064592 0.09757812144629 15.999 > 73 76 O 0.81070556749720 0.58474721064592 0.09757812144629 15.999 > 73 77 O 0.31070556749720 0.16525278935408 0.59757812144629 15.999 > 77 78 O 0.81070556749720 0.16525278935408 0.59757812144629 15.999 > 77 79 O 0.31070556749720 0.66525278935408 0.59757812144629 15.999 > 77 80 O 0.81070556749720 0.66525278935408 0.59757812144629 15.999 > 77 81 O 0.14398049903219 0.46796490580829 0.12884131096656 15.999 > 81 82 O 0.64398049903219 0.46796490580829 0.12884131096656 15.999 > 81 83 O 0.14398049903219 0.96796490580829 0.12884131096656 15.999 > 81 84 O 0.64398049903219 0.96796490580829 0.12884131096656 15.999 > 81 85 O 0.14398049903219 0.28203509419171 0.62884131096656 15.999 > 85 86 O 0.64398049903219 0.28203509419171 0.62884131096656 15.999 > 85 87 O 0.14398049903219 0.78203509419171 0.62884131096656 15.999 > 85 88 O 0.64398049903219 0.78203509419171 0.62884131096656 15.999 > 85 89 O 0.35601950096781 0.03203509419171 0.87115868903344 15.999 > 89 90 O 0.85601950096781 0.03203509419171 0.87115868903344 15.999 > 89 91 O 0.35601950096781 0.53203509419171 0.87115868903344 15.999 > 89 92 O 0.85601950096781 0.53203509419171 0.87115868903344 15.999 > 89 93 O 0.35601950096781 0.21796490580829 0.37115868903344 15.999 > 93 94 O 0.85601950096781 0.21796490580829 0.37115868903344 15.999 > 93 95 O 0.35601950096781 0.71796490580829 0.37115868903344 15.999 > 93 96 O 0.85601950096781 0.71796490580829 0.37115868903344 15.999 > 93 97 O 0.11267546143097 0.31432701171956 0.05622485206496 15.999 > 97 98 O 0.61267546143097 0.31432701171956 0.05622485206496 15.999 > 97 99 O 0.11267546143097 0.81432701171956 0.05622485206496 15.999 > 97 100 O 0.61267546143097 0.81432701171956 0.05622485206496 15.999 > 97 101 O 0.11267546143097 0.43567298828044 0.55622485206496 15.999 > 101 102 O 0.61267546143097 0.43567298828044 0.55622485206496 15.999 > 101 103 O 0.11267546143097 0.93567298828044 0.55622485206496 15.999 > 101 104 O 0.61267546143097 0.93567298828044 0.55622485206496 15.999 > 101 105 O 0.38732453856903 0.18567298828044 0.94377514793504 15.999 > 105 106 O 0.88732453856903 0.18567298828044 0.94377514793504 15.999 > 105 107 O 0.38732453856903 0.68567298828044 0.94377514793504 15.999 > 105 108 O 0.88732453856903 0.68567298828044 0.94377514793504 15.999 > 105 109 O 0.38732453856903 0.06432701171956 0.44377514793504 15.999 > 109 110 O 0.88732453856903 0.06432701171956 0.44377514793504 15.999 > 109 111 O 0.38732453856903 0.56432701171956 0.44377514793504 15.999 > 109 112 O 0.88732453856903 0.56432701171956 0.44377514793504 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2293412 0.0000000 -0.0247306 0.0000000 2.3261220 0.0000000 -0.0247309 0.0000000 2.2173345 -------------------------- Born effective charges -------------------------- 1 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 2 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 3 Na 1.2130524 0.0311716 0.0334675 -0.0895947 1.1373794 -0.0106951 0.0916860 0.0246536 1.1737656 4 Na 1.2130524 -0.0311716 0.0334675 0.0895947 1.1373794 0.0106951 0.0916860 -0.0246536 1.1737656 5 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 6 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 7 H 0.7705400 0.5284934 -0.1086961 0.7714974 1.1544893 -0.1018685 -0.2584844 -0.1944115 0.4120974 8 H 0.7705400 -0.5284934 -0.1086961 -0.7714974 1.1544893 0.1018685 -0.2584844 0.1944115 0.4120974 9 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 10 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 11 S 2.8660389 0.2650327 -0.0896415 -0.0185976 3.3421232 -0.2808237 0.0246502 -0.2338084 3.1409356 12 S 2.8660389 -0.2650327 -0.0896415 0.0185976 3.3421232 0.2808237 0.0246502 0.2338084 3.1409356 13 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 14 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 15 O -1.4201659 0.0201932 -0.4398641 0.1644817 -1.0040295 0.1771396 -0.5038262 0.1577803 -1.2265893 16 O -1.4201659 -0.0201932 -0.4398641 -0.1644817 -1.0040295 -0.1771396 -0.5038262 -0.1577803 -1.2265893 17 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 18 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 19 O -1.0774065 -0.3551434 0.3734418 -0.4369958 -1.2322499 0.4084396 0.3317958 0.3781273 -1.7229085 20 O -1.0774065 0.3551434 0.3734418 0.4369958 -1.2322499 -0.4084396 0.3317958 -0.3781273 -1.7229085 21 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 22 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 23 O -1.1186319 0.0364102 0.2266223 0.0613001 -1.8949953 -0.2525683 0.2990448 -0.1275765 -0.8479531 24 O -1.1186319 -0.0364102 0.2266223 -0.0613001 -1.8949953 0.2525683 0.2990448 0.1275765 -0.8479531 25 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 26 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 27 O -1.2334269 -0.5682256 0.0046701 -0.5815054 -1.5027172 0.0196665 0.0151339 0.0571733 -0.9293478 28 O -1.2334269 0.5682256 0.0046701 0.5815054 -1.5027172 -0.0196665 0.0151339 -0.0571733 -0.9293478 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 7 6 ] 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: 0.60, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.292 ( 0.000 0.000 0.000) 0.000 12.401 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.612 ( 0.000 0.000 0.000) 0.000 13.448 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 16.561 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 17.050 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 17.804 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 17.942 ( 0.000 0.000 0.000) 0.000 24.781 ( 0.000 0.000 0.000) 0.000 24.865 ( 0.000 0.000 0.000) 0.000 25.113 ( 0.000 0.000 0.000) 0.000 25.410 ( 0.000 0.000 0.000) 0.000 28.251 ( 0.000 0.000 0.000) 0.000 28.289 ( 0.000 0.000 0.000) 0.000 28.409 ( 0.000 0.000 0.000) 0.000 28.410 ( 0.000 0.000 0.000) 0.000 28.659 ( 0.000 0.000 0.000) 0.000 29.052 ( 0.000 0.000 0.000) 0.000 30.565 ( 0.000 0.000 0.000) 0.000 30.605 ( 0.000 0.000 0.000) 0.000 32.800 ( 0.000 0.000 0.000) 0.000 33.262 ( 0.000 0.000 0.000) 0.000 34.415 ( 0.000 0.000 0.000) 0.000 34.667 ( 0.000 0.000 0.000) 0.000 35.702 ( 0.000 0.000 0.000) 0.000 35.845 ( 0.000 0.000 0.000) 0.000 36.097 ( 0.000 0.000 0.000) 0.000 36.174 ( 0.000 0.000 0.000) 0.000 39.201 ( 0.000 0.000 0.000) 0.000 39.557 ( 0.000 0.000 0.000) 0.000 40.603 ( 0.000 0.000 0.000) 0.000 40.933 ( 0.000 0.000 0.000) 0.000 76.500 ( 0.000 0.000 0.000) 0.000 76.826 ( 0.000 0.000 0.000) 0.000 78.793 ( 0.000 0.000 0.000) 0.000 80.109 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 23.866 0.000 1.276) 23.901 0.566 ( 24.943 0.000 14.176) 28.690 0.847 ( 39.330 0.000 17.782) 43.163 2.120 ( 5.187 0.000 0.071) 5.187 2.184 ( 1.471 0.000 3.915) 4.182 2.485 ( -0.513 0.000 -6.462) 6.482 2.522 ( 4.433 0.000 -3.236) 5.488 2.743 ( -0.134 0.000 0.198) 0.239 2.877 ( -5.348 0.000 -0.655) 5.388 2.895 ( -3.668 0.000 0.117) 3.670 3.043 ( -0.047 0.000 -5.139) 5.139 3.212 ( 3.011 0.000 -6.677) 7.324 3.309 ( -5.278 0.000 3.097) 6.120 3.429 ( -0.019 0.000 0.602) 0.603 3.465 ( -6.901 0.000 0.874) 6.956 3.676 ( 3.000 0.000 0.697) 3.080 3.967 ( 0.266 0.000 0.069) 0.275 4.104 ( 5.532 0.000 8.289) 9.966 4.109 ( 2.867 0.000 -1.013) 3.040 4.392 ( 1.491 0.000 -3.340) 3.658 4.574 ( -1.681 0.000 -5.261) 5.523 4.772 ( 1.444 0.000 2.222) 2.650 4.845 ( 0.465 0.000 0.023) 0.465 5.070 ( -1.891 0.000 -2.797) 3.376 5.161 ( -7.558 0.000 3.990) 8.546 5.283 ( 0.260 0.000 -14.246) 14.248 5.428 ( 2.151 0.000 3.230) 3.881 5.592 ( 1.197 0.000 0.842) 1.463 5.705 ( 1.840 0.000 0.593) 1.933 5.897 ( -2.065 0.000 -2.311) 3.100 6.216 ( -4.008 0.000 -0.777) 4.083 6.617 ( 2.828 0.000 -1.892) 3.403 6.990 ( -3.324 0.000 1.705) 3.736 7.066 ( -15.417 0.000 25.664) 29.939 7.823 ( -2.116 0.000 3.511) 4.099 8.014 ( 0.406 0.000 -13.518) 13.524 12.199 ( 1.392 0.000 -3.956) 4.193 12.236 ( -0.857 0.000 -0.050) 0.858 12.290 ( -0.131 0.000 -0.101) 0.165 12.408 ( 0.360 0.000 0.819) 0.894 12.465 ( -0.153 0.000 0.200) 0.252 12.607 ( -0.349 0.000 -0.476) 0.591 13.457 ( 1.270 0.000 -5.226) 5.378 13.558 ( 1.066 0.000 0.735) 1.295 15.763 ( 0.814 0.000 -1.306) 1.539 16.031 ( -0.184 0.000 0.950) 0.968 16.623 ( 1.580 0.000 -5.139) 5.377 16.637 ( 0.688 0.000 -0.163) 0.707 16.847 ( 0.489 0.000 0.686) 0.843 16.854 ( 0.717 0.000 -0.269) 0.766 16.942 ( 0.808 0.000 -0.330) 0.873 17.050 ( -0.443 0.000 0.751) 0.872 17.794 ( -5.808 0.000 10.947) 12.393 17.801 ( -0.176 0.000 -0.215) 0.278 17.939 ( 0.320 0.000 0.077) 0.329 17.957 ( 0.606 0.000 2.264) 2.344 24.802 ( 1.652 0.000 1.498) 2.230 24.851 ( -0.916 0.000 -1.632) 1.871 25.207 ( 4.469 0.000 -9.112) 10.149 25.403 ( -0.591 0.000 -0.406) 0.717 28.252 ( 0.299 0.000 -0.330) 0.445 28.280 ( -1.061 0.000 0.471) 1.161 28.421 ( 1.282 0.000 -0.460) 1.362 28.505 ( -4.755 0.000 9.455) 10.583 28.666 ( -0.301 0.000 2.246) 2.266 29.035 ( -1.660 0.000 -0.409) 1.710 30.633 ( 2.759 0.000 0.642) 2.833 30.660 ( 10.560 0.000 -25.073) 27.206 32.874 ( -11.205 0.000 27.307) 29.517 33.264 ( -1.347 0.000 3.431) 3.686 34.335 ( -7.891 0.000 0.372) 7.899 34.687 ( -0.559 0.000 3.000) 3.051 35.875 ( 2.754 0.000 1.365) 3.074 36.013 ( -6.065 0.000 -1.518) 6.252 36.225 ( 5.260 0.000 -3.974) 6.593 36.571 ( -7.960 0.000 22.923) 24.265 39.241 ( 4.010 0.000 0.813) 4.091 40.575 ( 15.395 0.000 -39.181) 42.097 40.606 ( 2.902 0.000 -6.259) 6.899 40.949 ( 1.505 0.000 0.481) 1.580 76.497 ( 0.422 0.000 -1.849) 1.897 76.821 ( -1.688 0.000 2.902) 3.357 78.841 ( 5.014 0.000 0.423) 5.032 80.771 ( 16.109 0.000 -55.190) 57.493 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 24.093 0.000 -0.694) 24.103 1.078 ( 20.825 0.000 12.383) 24.228 1.643 ( 34.543 0.000 17.037) 38.516 2.255 ( 9.728 0.000 -0.386) 9.736 2.257 ( 3.363 0.000 4.317) 5.473 2.429 ( 1.170 0.000 -9.298) 9.371 2.549 ( 0.181 0.000 -6.997) 6.999 2.700 ( -3.947 0.000 -1.334) 4.166 2.791 ( -1.944 0.000 -0.901) 2.143 2.859 ( -1.477 0.000 4.192) 4.444 2.899 ( -9.345 0.000 -10.841) 14.313 3.210 ( 1.728 0.000 -4.594) 4.908 3.231 ( -4.363 0.000 2.443) 5.000 3.384 ( -4.678 0.000 6.019) 7.624 3.476 ( 3.541 0.000 2.327) 4.237 3.769 ( 5.989 0.000 1.372) 6.144 3.984 ( 1.632 0.000 0.053) 1.633 4.162 ( 1.130 0.000 -1.823) 2.145 4.202 ( -11.985 0.000 -6.514) 13.641 4.263 ( 5.400 0.000 6.826) 8.704 4.622 ( 6.062 0.000 -2.756) 6.659 4.827 ( 0.667 0.000 5.006) 5.051 4.870 ( 3.613 0.000 -4.358) 5.661 5.028 ( 0.350 0.000 -2.768) 2.790 5.048 ( -5.638 0.000 0.627) 5.672 5.164 ( -5.892 0.000 -3.894) 7.063 5.465 ( -2.024 0.000 5.139) 5.523 5.595 ( -0.864 0.000 -0.140) 0.875 5.757 ( 2.597 0.000 1.070) 2.808 5.822 ( -3.563 0.000 -3.084) 4.713 6.120 ( -5.209 0.000 -1.528) 5.428 6.668 ( 4.232 0.000 -2.048) 4.701 6.923 ( -5.798 0.000 2.861) 6.465 6.936 ( -11.975 0.000 6.525) 13.637 7.801 ( -4.127 0.000 5.680) 7.021 7.891 ( -4.774 0.000 -8.910) 10.108 12.195 ( 0.842 0.000 -2.547) 2.682 12.216 ( -1.288 0.000 0.007) 1.288 12.285 ( -0.366 0.000 -0.126) 0.387 12.420 ( 0.136 0.000 0.883) 0.893 12.467 ( 0.169 0.000 0.758) 0.777 12.593 ( -0.640 0.000 -0.833) 1.050 13.437 ( -0.063 0.000 -3.261) 3.262 13.594 ( 2.006 0.000 1.390) 2.440 15.769 ( 1.295 0.000 -2.198) 2.551 16.040 ( 0.181 0.000 1.611) 1.621 16.615 ( 0.466 0.000 -1.808) 1.867 16.651 ( 0.930 0.000 -0.229) 0.958 16.861 ( 0.317 0.000 1.035) 1.082 16.867 ( 0.967 0.000 -0.376) 1.038 16.959 ( 1.137 0.000 0.015) 1.137 17.043 ( -1.084 0.000 1.024) 1.491 17.765 ( -3.399 0.000 4.147) 5.362 17.797 ( -0.037 0.000 -0.311) 0.314 17.943 ( -0.005 0.000 -0.032) 0.032 17.991 ( 0.937 0.000 2.834) 2.985 24.812 ( -1.568 0.000 -2.582) 3.021 24.857 ( 2.729 0.000 2.624) 3.786 25.226 ( 2.538 0.000 -3.128) 4.028 25.383 ( -1.087 0.000 -0.784) 1.341 28.258 ( 0.744 0.000 -0.595) 0.953 28.264 ( -1.117 0.000 0.713) 1.325 28.440 ( 1.242 0.000 -0.882) 1.524 28.486 ( -2.384 0.000 3.149) 3.949 28.675 ( -0.743 0.000 2.599) 2.703 28.993 ( -2.411 0.000 -0.499) 2.462 30.671 ( 5.263 0.000 -11.049) 12.238 30.707 ( 4.528 0.000 1.201) 4.685 32.872 ( -4.626 0.000 11.453) 12.352 33.256 ( -3.161 0.000 5.084) 5.987 34.174 ( -9.889 0.000 0.646) 9.910 34.640 ( -8.220 0.000 3.502) 8.934 35.902 ( -3.276 0.000 -4.188) 5.317 35.961 ( 5.165 0.000 2.432) 5.709 36.298 ( 6.411 0.000 -4.214) 7.672 36.602 ( -1.782 0.000 9.470) 9.636 39.346 ( 6.410 0.000 1.574) 6.601 40.565 ( 5.125 0.000 -14.374) 15.261 40.615 ( 3.219 0.000 -6.607) 7.349 40.989 ( 2.156 0.000 1.044) 2.396 76.489 ( 0.731 0.000 -3.136) 3.220 76.810 ( -2.618 0.000 5.040) 5.680 78.964 ( 7.712 0.000 0.916) 7.767 80.621 ( 0.289 0.000 -25.602) 25.604 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 23.367 0.000 -3.615) 23.645 1.466 ( 13.448 0.000 8.669) 16.000 2.195 ( 11.087 0.000 4.234) 11.868 2.376 ( -1.982 0.000 3.632) 4.138 2.388 ( -7.423 0.000 -14.394) 16.196 2.449 ( 12.162 0.000 -3.443) 12.640 2.473 ( 19.919 0.000 2.383) 20.061 2.633 ( -11.456 0.000 -4.675) 12.373 2.646 ( 0.180 0.000 1.419) 1.430 2.806 ( 0.869 0.000 2.216) 2.380 2.868 ( -1.038 0.000 2.510) 2.716 3.181 ( -2.785 0.000 0.578) 2.844 3.235 ( 4.196 0.000 -1.200) 4.364 3.381 ( -0.050 0.000 5.234) 5.234 3.564 ( 3.814 0.000 2.496) 4.559 3.832 ( -11.554 0.000 -8.306) 14.230 3.917 ( 2.243 0.000 2.248) 3.176 4.029 ( 3.287 0.000 0.517) 3.327 4.219 ( 1.275 0.000 1.456) 1.936 4.392 ( 4.783 0.000 4.375) 6.482 4.684 ( 2.546 0.000 -1.693) 3.058 4.775 ( -9.142 0.000 1.416) 9.251 4.857 ( -0.653 0.000 -6.837) 6.868 5.026 ( -6.414 0.000 -1.413) 6.568 5.052 ( 3.136 0.000 3.801) 4.928 5.087 ( 7.928 0.000 -2.852) 8.425 5.405 ( -9.029 0.000 4.999) 10.320 5.578 ( -0.200 0.000 -0.631) 0.662 5.757 ( -0.998 0.000 -2.078) 2.305 5.797 ( 1.012 0.000 0.767) 1.270 6.024 ( -3.830 0.000 -2.139) 4.386 6.703 ( -7.539 0.000 5.798) 9.511 6.769 ( -0.022 0.000 -8.223) 8.223 6.830 ( -6.789 0.000 3.226) 7.516 7.731 ( -6.125 0.000 -7.155) 9.419 7.759 ( -5.128 0.000 5.932) 7.841 12.193 ( -1.255 0.000 0.086) 1.258 12.193 ( 0.859 0.000 -2.021) 2.196 12.276 ( -0.613 0.000 0.007) 0.613 12.426 ( -0.015 0.000 0.568) 0.568 12.480 ( 0.325 0.000 1.169) 1.213 12.573 ( -0.796 0.000 -0.969) 1.254 13.411 ( -0.468 0.000 -2.428) 2.473 13.647 ( 2.514 0.000 1.763) 3.071 15.776 ( 1.296 0.000 -2.388) 2.717 16.061 ( 0.788 0.000 1.833) 1.995 16.615 ( 0.523 0.000 -0.522) 0.739 16.665 ( 0.799 0.000 -0.185) 0.821 16.870 ( -0.164 0.000 1.021) 1.034 16.880 ( 0.729 0.000 -0.291) 0.785 16.981 ( 1.180 0.000 0.173) 1.192 17.024 ( -1.678 0.000 0.707) 1.821 17.735 ( -2.292 0.000 2.066) 3.085 17.796 ( 0.149 0.000 -0.289) 0.325 17.936 ( -0.634 0.000 -0.305) 0.704 18.028 ( 0.982 0.000 2.529) 2.713 24.762 ( -1.749 0.000 -2.658) 3.181 24.931 ( 3.036 0.000 3.091) 4.332 25.250 ( 1.801 0.000 -1.122) 2.122 25.353 ( -1.431 0.000 -1.100) 1.805 28.252 ( -0.806 0.000 0.725) 1.084 28.271 ( 1.304 0.000 -0.742) 1.501 28.449 ( 0.589 0.000 -1.176) 1.316 28.467 ( -1.631 0.000 1.744) 2.388 28.674 ( -1.169 0.000 1.837) 2.178 28.949 ( -2.110 0.000 -0.273) 2.127 30.687 ( 3.284 0.000 -5.777) 6.645 30.802 ( 4.749 0.000 1.477) 4.974 32.875 ( -1.906 0.000 5.674) 5.985 33.222 ( -4.585 0.000 4.912) 6.719 34.009 ( -8.707 0.000 1.001) 8.764 34.448 ( -13.967 0.000 0.694) 13.985 35.845 ( 0.019 0.000 -4.185) 4.185 36.085 ( 6.159 0.000 2.803) 6.767 36.395 ( 7.213 0.000 -3.028) 7.823 36.640 ( 0.207 0.000 4.561) 4.566 39.479 ( 6.556 0.000 1.939) 6.837 40.552 ( 1.930 0.000 -6.650) 6.924 40.625 ( 2.659 0.000 -5.187) 5.829 41.035 ( 1.850 0.000 1.423) 2.334 76.479 ( 0.826 0.000 -3.448) 3.545 76.801 ( -2.747 0.000 5.680) 6.309 79.112 ( 7.525 0.000 1.232) 7.626 80.432 ( -4.674 0.000 -14.345) 15.087 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 20.596 0.000 -6.595) 21.626 1.661 ( 3.821 0.000 1.009) 3.952 2.145 ( -5.080 0.000 -14.107) 14.994 2.279 ( 2.409 0.000 -5.360) 5.877 2.329 ( -5.241 0.000 7.310) 8.995 2.439 ( -8.658 0.000 0.275) 8.663 2.624 ( 8.064 0.000 -2.066) 8.324 2.634 ( 0.469 0.000 3.832) 3.861 2.832 ( 0.625 0.000 2.818) 2.886 2.852 ( -1.285 0.000 -0.641) 1.436 2.947 ( 17.419 0.000 6.273) 18.514 3.137 ( -2.468 0.000 0.289) 2.485 3.361 ( 8.890 0.000 3.310) 9.487 3.427 ( -1.414 0.000 -1.156) 1.827 3.565 ( -5.191 0.000 -3.254) 6.127 3.638 ( 2.765 0.000 1.448) 3.121 4.027 ( 3.295 0.000 4.417) 5.511 4.112 ( 4.831 0.000 2.388) 5.390 4.247 ( 1.345 0.000 2.307) 2.670 4.495 ( 1.930 0.000 0.860) 2.113 4.603 ( -6.116 0.000 -1.390) 6.272 4.653 ( -3.756 0.000 -6.009) 7.087 4.814 ( 0.795 0.000 -2.035) 2.185 4.902 ( -6.094 0.000 -0.076) 6.095 5.133 ( -0.443 0.000 0.870) 0.976 5.212 ( 7.275 0.000 -2.895) 7.830 5.259 ( -8.156 0.000 6.472) 10.412 5.590 ( 1.998 0.000 -0.420) 2.042 5.749 ( 0.648 0.000 -0.548) 0.849 5.807 ( -0.258 0.000 0.478) 0.543 5.953 ( -2.318 0.000 -2.257) 3.236 6.508 ( -11.087 0.000 -0.764) 11.113 6.737 ( -5.648 0.000 2.665) 6.245 6.803 ( 3.955 0.000 -3.470) 5.262 7.585 ( -4.880 0.000 -5.007) 6.992 7.710 ( -4.275 0.000 4.405) 6.138 12.174 ( -0.871 0.000 0.113) 0.879 12.196 ( 0.853 0.000 -1.485) 1.712 12.265 ( -0.671 0.000 0.224) 0.707 12.430 ( 0.066 0.000 0.362) 0.368 12.492 ( 0.149 0.000 0.940) 0.951 12.553 ( -0.703 0.000 -0.804) 1.069 13.388 ( -0.434 0.000 -1.563) 1.622 13.703 ( 2.176 0.000 1.548) 2.671 15.781 ( 0.909 0.000 -1.816) 2.031 16.090 ( 0.969 0.000 1.495) 1.782 16.624 ( 0.589 0.000 -0.003) 0.589 16.677 ( 0.550 0.000 -0.071) 0.555 16.871 ( -0.400 0.000 0.740) 0.841 16.888 ( 0.336 0.000 -0.085) 0.347 16.996 ( -1.688 0.000 0.136) 1.694 17.001 ( 0.875 0.000 0.175) 0.892 17.714 ( -1.352 0.000 1.035) 1.703 17.797 ( 0.178 0.000 -0.196) 0.264 17.918 ( -0.870 0.000 -0.457) 0.982 18.059 ( 0.740 0.000 1.732) 1.883 24.716 ( -1.364 0.000 -1.958) 2.386 25.004 ( 2.601 0.000 2.720) 3.764 25.272 ( 1.149 0.000 -0.333) 1.196 25.318 ( -1.485 0.000 -1.217) 1.920 28.245 ( -0.460 0.000 0.535) 0.706 28.293 ( 1.589 0.000 -0.730) 1.749 28.446 ( 0.060 0.000 -1.050) 1.051 28.453 ( -1.284 0.000 1.361) 1.871 28.662 ( -1.180 0.000 0.854) 1.457 28.917 ( -1.279 0.000 -0.032) 1.279 30.703 ( 1.916 0.000 -2.832) 3.419 30.888 ( 3.472 0.000 1.243) 3.687 32.885 ( -0.347 0.000 2.483) 2.507 33.170 ( -4.352 0.000 3.585) 5.638 33.892 ( -5.112 0.000 1.612) 5.360 34.194 ( -12.623 0.000 -2.062) 12.790 35.830 ( 0.819 0.000 -2.772) 2.890 36.206 ( 4.948 0.000 2.231) 5.428 36.498 ( 5.747 0.000 -1.557) 5.954 36.672 ( 0.626 0.000 2.044) 2.137 39.596 ( 4.751 0.000 1.598) 5.012 40.540 ( 0.628 0.000 -3.043) 3.107 40.634 ( 1.741 0.000 -3.263) 3.699 41.071 ( 1.090 0.000 1.256) 1.663 76.470 ( 0.653 0.000 -2.658) 2.737 76.794 ( -2.140 0.000 4.445) 4.933 79.237 ( 5.224 0.000 1.068) 5.332 80.266 ( -4.650 0.000 -7.506) 8.829 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -1.274 0.000 -3.696) 3.909 1.901 ( 12.259 0.000 -6.115) 13.699 2.049 ( -0.274 0.000 -2.470) 2.485 2.215 ( -6.553 0.000 4.803) 8.125 2.330 ( -3.392 0.000 0.213) 3.399 2.331 ( 0.855 0.000 -0.515) 0.998 2.660 ( 0.198 0.000 1.539) 1.552 2.689 ( 0.936 0.000 0.019) 0.936 2.826 ( -0.588 0.000 -0.850) 1.033 2.882 ( 2.646 0.000 0.222) 2.655 3.103 ( -1.334 0.000 0.310) 1.369 3.176 ( 5.226 0.000 2.119) 5.639 3.295 ( -4.658 0.000 -2.708) 5.388 3.538 ( 5.633 0.000 2.533) 6.176 3.611 ( 3.436 0.000 0.658) 3.498 3.682 ( 1.274 0.000 0.471) 1.359 4.070 ( -0.481 0.000 2.201) 2.253 4.229 ( 4.921 0.000 4.897) 6.942 4.336 ( 5.495 0.000 4.929) 7.382 4.367 ( -6.953 0.000 -5.473) 8.848 4.504 ( -6.366 0.000 -7.045) 9.495 4.663 ( 5.068 0.000 0.988) 5.164 4.823 ( -1.663 0.000 -0.974) 1.928 4.826 ( 0.568 0.000 -0.133) 0.584 5.006 ( -8.392 0.000 1.196) 8.477 5.266 ( 0.670 0.000 2.386) 2.479 5.286 ( 2.557 0.000 -1.300) 2.868 5.631 ( 1.893 0.000 0.111) 1.896 5.760 ( 0.489 0.000 0.090) 0.497 5.801 ( -0.479 0.000 0.173) 0.509 5.909 ( -1.002 0.000 -1.148) 1.524 6.350 ( -4.712 0.000 -1.086) 4.835 6.678 ( -2.228 0.000 1.068) 2.470 6.836 ( 1.398 0.000 -1.058) 1.753 7.497 ( -1.852 0.000 -1.845) 2.614 7.677 ( -1.664 0.000 1.623) 2.324 12.164 ( -0.307 0.000 0.053) 0.311 12.201 ( 0.408 0.000 -0.604) 0.729 12.257 ( -0.327 0.000 0.181) 0.374 12.433 ( 0.051 0.000 0.131) 0.141 12.498 ( 0.022 0.000 0.348) 0.349 12.539 ( -0.290 0.000 -0.319) 0.431 13.375 ( -0.168 0.000 -0.543) 0.568 13.740 ( 0.873 0.000 0.626) 1.074 15.782 ( 0.321 0.000 -0.675) 0.747 16.112 ( 0.439 0.000 0.585) 0.731 16.633 ( 0.269 0.000 0.055) 0.275 16.683 ( 0.216 0.000 0.000) 0.216 16.869 ( -0.203 0.000 0.271) 0.338 16.892 ( 0.076 0.000 0.033) 0.083 16.973 ( -0.744 0.000 -0.091) 0.750 17.013 ( 0.320 0.000 0.070) 0.328 17.703 ( -0.447 0.000 0.320) 0.550 17.799 ( 0.074 0.000 -0.069) 0.101 17.903 ( -0.403 0.000 -0.225) 0.461 18.077 ( 0.275 0.000 0.615) 0.674 24.689 ( -0.515 0.000 -0.718) 0.883 25.055 ( 1.159 0.000 1.211) 1.677 25.284 ( 0.401 0.000 -0.060) 0.405 25.289 ( -0.764 0.000 -0.656) 1.008 28.242 ( -0.147 0.000 0.197) 0.246 28.312 ( 0.842 0.000 -0.367) 0.919 28.440 ( -0.049 0.000 -0.422) 0.425 28.442 ( -0.622 0.000 0.638) 0.891 28.649 ( -0.513 0.000 0.194) 0.548 28.902 ( -0.410 0.000 0.023) 0.411 30.713 ( 0.640 0.000 -0.849) 1.063 30.938 ( 1.252 0.000 0.487) 1.343 32.895 ( 0.138 0.000 0.610) 0.626 33.130 ( -1.880 0.000 1.372) 2.327 33.855 ( -0.590 0.000 1.645) 1.747 34.003 ( -5.959 0.000 -2.127) 6.327 35.828 ( 0.371 0.000 -0.963) 1.032 36.281 ( 1.882 0.000 0.851) 2.066 36.564 ( 2.160 0.000 -0.451) 2.206 36.690 ( 0.285 0.000 0.569) 0.636 39.663 ( 1.720 0.000 0.616) 1.827 40.532 ( 0.127 0.000 -0.885) 0.894 40.640 ( 0.607 0.000 -1.112) 1.266 41.091 ( 0.339 0.000 0.501) 0.605 76.465 ( 0.249 0.000 -0.997) 1.027 76.789 ( -0.821 0.000 1.676) 1.866 79.307 ( 1.843 0.000 0.421) 1.890 80.170 ( -1.852 0.000 -2.340) 2.984 ======================= Grid point 11 (7/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 26.222 0.000) 26.222 0.552 ( 0.000 28.732 0.000) 28.732 0.741 ( 0.000 38.291 0.000) 38.291 2.083 ( 0.000 0.980 0.000) 0.980 2.139 ( 0.000 -2.601 0.000) 2.601 2.432 ( 0.000 -6.236 0.000) 6.236 2.479 ( 0.000 -3.573 0.000) 3.573 2.682 ( 0.000 -6.704 0.000) 6.704 2.932 ( 0.000 0.865 0.000) 0.865 2.995 ( 0.000 -0.731 0.000) 0.731 3.070 ( 0.000 2.122 0.000) 2.122 3.113 ( 0.000 -1.621 0.000) 1.621 3.271 ( 0.000 -5.875 0.000) 5.875 3.313 ( 0.000 -8.778 0.000) 8.778 3.740 ( 0.000 1.913 0.000) 1.913 3.840 ( 0.000 6.170 0.000) 6.170 4.039 ( 0.000 3.389 0.000) 3.389 4.060 ( 0.000 -3.107 0.000) 3.107 4.088 ( 0.000 9.087 0.000) 9.087 4.377 ( 0.000 2.405 0.000) 2.405 4.697 ( 0.000 1.430 0.000) 1.430 4.773 ( 0.000 -14.089 0.000) 14.089 4.834 ( 0.000 6.442 0.000) 6.442 4.845 ( 0.000 0.394 0.000) 0.394 5.143 ( 0.000 -0.249 0.000) 0.249 5.192 ( 0.000 -2.657 0.000) 2.657 5.388 ( 0.000 3.612 0.000) 3.612 5.677 ( 0.000 -0.885 0.000) 0.885 5.784 ( 0.000 -0.109 0.000) 0.109 5.902 ( 0.000 -2.313 0.000) 2.313 6.248 ( 0.000 -0.243 0.000) 0.243 6.317 ( 0.000 1.743 0.000) 1.743 6.611 ( 0.000 1.351 0.000) 1.351 6.974 ( 0.000 -3.992 0.000) 3.992 8.018 ( 0.000 -1.409 0.000) 1.409 8.082 ( 0.000 -2.404 0.000) 2.404 12.204 ( 0.000 0.873 0.000) 0.873 12.260 ( 0.000 1.565 0.000) 1.565 12.296 ( 0.000 0.362 0.000) 0.362 12.453 ( 0.000 -1.359 0.000) 1.359 12.481 ( 0.000 1.523 0.000) 1.523 12.609 ( 0.000 -0.292 0.000) 0.292 13.460 ( 0.000 1.291 0.000) 1.291 13.841 ( 0.000 -3.101 0.000) 3.101 15.778 ( 0.000 1.783 0.000) 1.783 16.009 ( 0.000 -1.975 0.000) 1.975 16.574 ( 0.000 1.273 0.000) 1.273 16.661 ( 0.000 -0.134 0.000) 0.134 16.843 ( 0.000 0.408 0.000) 0.408 16.923 ( 0.000 -0.206 0.000) 0.206 17.055 ( 0.000 0.487 0.000) 0.487 17.084 ( 0.000 0.282 0.000) 0.282 17.717 ( 0.000 1.445 0.000) 1.445 17.931 ( 0.000 -1.186 0.000) 1.186 17.938 ( 0.000 0.293 0.000) 0.293 17.968 ( 0.000 -0.169 0.000) 0.169 24.866 ( 0.000 0.080 0.000) 0.080 25.069 ( 0.000 -3.882 0.000) 3.882 25.453 ( 0.000 3.872 0.000) 3.872 25.637 ( 0.000 0.014 0.000) 0.014 28.254 ( 0.000 0.270 0.000) 0.270 28.286 ( 0.000 -0.259 0.000) 0.259 28.412 ( 0.000 0.331 0.000) 0.331 28.413 ( 0.000 0.261 0.000) 0.261 28.673 ( 0.000 1.471 0.000) 1.471 29.028 ( 0.000 -2.495 0.000) 2.495 30.593 ( 0.000 2.830 0.000) 2.830 30.951 ( 0.000 -1.298 0.000) 1.298 32.838 ( 0.000 3.946 0.000) 3.946 33.253 ( 0.000 -1.084 0.000) 1.084 34.459 ( 0.000 4.601 0.000) 4.601 35.517 ( 0.000 -9.262 0.000) 9.262 35.693 ( 0.000 -0.602 0.000) 0.602 35.854 ( 0.000 0.177 0.000) 0.177 36.155 ( 0.000 5.626 0.000) 5.626 36.657 ( 0.000 -1.769 0.000) 1.769 39.285 ( 0.000 1.534 0.000) 1.534 39.543 ( 0.000 -1.448 0.000) 1.448 40.627 ( 0.000 2.432 0.000) 2.432 40.922 ( 0.000 -1.110 0.000) 1.110 76.517 ( 0.000 1.713 0.000) 1.713 76.805 ( 0.000 -2.117 0.000) 2.117 80.214 ( 0.000 10.741 0.000) 10.741 81.553 ( 0.000 -5.066 0.000) 5.066 ======================= Grid point 12 (8/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 11.796 15.793 1.578) 19.775 0.754 ( 22.183 17.137 -1.343) 28.063 1.178 ( 25.142 26.186 19.765) 41.334 2.129 ( 4.870 0.554 -0.123) 4.903 2.154 ( 0.604 -3.381 3.845) 5.156 2.393 ( -0.915 -5.750 -3.285) 6.685 2.529 ( 5.751 -4.482 -5.513) 9.141 2.695 ( -0.594 -4.251 3.548) 5.568 2.849 ( -7.478 -1.556 -1.296) 7.747 2.920 ( -4.304 2.103 -3.586) 5.984 3.034 ( -1.058 -1.159 -4.245) 4.526 3.149 ( 2.205 -3.554 -1.363) 4.399 3.269 ( 0.758 -2.868 1.306) 3.241 3.360 ( 1.776 -4.061 1.407) 4.651 3.692 ( -9.273 12.788 -4.005) 16.296 3.718 ( 0.322 2.605 -1.096) 2.845 4.029 ( -1.604 2.379 2.499) 3.805 4.085 ( 1.338 2.212 0.719) 2.684 4.125 ( 5.119 1.453 2.076) 5.711 4.399 ( -1.553 -0.399 -3.406) 3.764 4.584 ( -1.753 0.330 -6.516) 6.755 4.790 ( 0.061 -2.871 1.382) 3.187 4.830 ( 1.442 -6.297 -2.955) 7.104 4.913 ( 2.752 4.187 6.149) 7.932 5.140 ( -3.745 -3.155 -0.386) 4.912 5.331 ( 1.920 0.589 0.925) 2.211 5.470 ( 7.118 0.737 5.187) 8.839 5.673 ( -1.895 0.357 -0.157) 1.935 5.704 ( -2.183 5.544 -2.813) 6.589 5.875 ( -2.744 -2.113 -2.330) 4.174 6.142 ( -3.435 -6.477 -0.915) 7.389 6.523 ( -0.458 -16.876 17.029) 23.979 6.644 ( 5.664 -0.645 -3.997) 6.962 6.995 ( 1.501 -3.645 0.140) 3.945 7.973 ( -8.411 3.394 6.356) 11.075 7.988 ( -2.533 -2.103 -9.557) 10.108 12.206 ( 0.749 0.889 -1.429) 1.842 12.249 ( -1.036 1.345 -0.371) 1.737 12.290 ( -0.656 0.247 0.451) 0.834 12.432 ( -0.688 0.365 -0.684) 1.036 12.491 ( -0.260 1.590 1.404) 2.137 12.604 ( -0.369 -0.271 -0.405) 0.612 13.457 ( 0.185 1.071 -1.475) 1.832 13.724 ( -5.577 5.696 -3.338) 8.642 15.781 ( 0.823 1.884 -1.061) 2.314 16.012 ( -0.020 -1.835 0.928) 2.057 16.587 ( 1.289 -0.090 -0.521) 1.393 16.669 ( 0.735 0.186 -0.417) 0.865 16.798 ( -2.344 0.423 -2.194) 3.239 16.933 ( 0.524 -0.146 0.978) 1.118 17.016 ( -2.228 4.781 -1.942) 5.621 17.060 ( 0.183 1.273 -1.000) 1.629 17.742 ( -0.123 -0.254 3.892) 3.902 17.885 ( -4.069 1.878 -0.061) 4.482 17.940 ( 0.354 0.251 -0.274) 0.513 17.959 ( 0.187 0.194 2.066) 2.084 24.845 ( -1.530 0.281 -1.542) 2.190 25.036 ( -5.244 2.046 4.043) 6.931 25.310 ( -8.222 12.507 -11.733) 19.018 25.467 ( -1.053 5.760 -2.109) 6.223 28.255 ( 0.289 0.280 -0.240) 0.468 28.280 ( -0.817 -0.027 0.428) 0.923 28.423 ( 1.163 0.214 -0.448) 1.265 28.464 ( -0.176 -2.164 6.130) 6.503 28.676 ( 0.031 1.298 0.924) 1.594 29.013 ( -1.412 -2.327 -0.593) 2.786 30.616 ( 3.394 2.121 -2.301) 4.617 30.837 ( -0.590 7.259 -12.943) 14.851 32.881 ( -4.348 2.129 16.049) 16.763 33.253 ( -1.239 -1.135 2.997) 3.436 34.392 ( -7.466 4.689 -0.698) 8.845 34.908 ( -20.079 12.174 -6.446) 24.350 35.833 ( 1.681 -3.143 0.002) 3.565 36.023 ( 1.749 -6.413 5.398) 8.563 36.136 ( 2.117 3.314 -0.380) 3.951 36.653 ( -3.774 3.226 10.634) 11.736 39.268 ( 2.709 2.579 0.685) 3.803 40.077 ( 31.797 -28.869 -14.570) 45.352 40.630 ( 1.347 2.444 -2.410) 3.687 40.943 ( 2.039 -1.039 0.060) 2.289 76.506 ( -0.460 1.546 -0.949) 1.872 76.805 ( -0.766 -1.933 1.516) 2.573 79.723 ( -35.979 44.719 0.805) 57.401 80.990 ( -5.493 15.736 -46.658) 49.546 ======================= Grid point 13 (9/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 20.601 2.778 5.168) 21.421 1.169 ( 21.825 9.216 2.798) 23.856 1.788 ( 25.923 13.153 17.844) 34.109 2.201 ( 2.501 -5.904 1.771) 6.652 2.251 ( 7.625 -1.547 0.665) 7.809 2.377 ( 3.309 -3.145 -5.973) 7.518 2.578 ( 3.856 -4.722 -7.086) 9.348 2.664 ( -6.709 -3.264 3.581) 8.276 2.692 ( -7.292 -0.371 -1.974) 7.563 2.847 ( -0.712 2.842 -4.045) 4.994 2.982 ( -0.583 0.242 -5.654) 5.689 3.166 ( 1.579 -2.781 -1.041) 3.363 3.270 ( -3.228 2.279 2.838) 4.865 3.383 ( -0.865 -0.912 2.147) 2.488 3.534 ( -3.353 7.194 -0.896) 7.988 3.780 ( 5.461 1.033 0.775) 5.611 4.030 ( 0.303 3.571 -0.137) 3.586 4.137 ( 2.280 -2.275 -0.933) 3.353 4.195 ( -9.596 0.208 -5.265) 10.947 4.242 ( 2.957 -2.200 4.844) 6.086 4.608 ( 3.375 -1.371 -2.003) 4.157 4.792 ( -2.498 -6.385 0.804) 6.903 4.834 ( 4.073 0.372 -4.304) 5.938 4.969 ( -3.634 -2.174 4.903) 6.479 5.105 ( 1.943 6.014 0.515) 6.342 5.290 ( -4.087 6.359 -1.407) 7.689 5.525 ( -3.811 5.503 1.155) 6.793 5.603 ( -1.625 1.153 -0.833) 2.159 5.740 ( 2.775 -1.409 1.244) 3.351 5.794 ( -3.072 -2.864 -2.701) 4.994 6.079 ( -3.732 -4.450 -0.519) 5.831 6.543 ( -7.021 -19.559 12.117) 24.056 6.707 ( 5.263 -1.511 -6.477) 8.482 6.987 ( -3.266 -1.546 0.581) 3.660 7.842 ( -6.956 0.224 -1.107) 7.047 7.887 ( -5.358 1.082 -1.003) 5.557 12.207 ( 0.218 0.818 -0.944) 1.268 12.224 ( -0.901 1.315 -1.049) 1.908 12.281 ( -0.751 -0.223 0.352) 0.859 12.426 ( 0.019 0.327 0.318) 0.456 12.492 ( -0.426 1.836 1.080) 2.172 12.591 ( -0.651 -0.230 -0.709) 0.989 13.444 ( -0.176 1.036 -2.200) 2.438 13.659 ( -0.692 4.296 -0.425) 4.372 15.791 ( 1.330 2.163 -1.798) 3.112 16.024 ( 0.384 -1.547 1.539) 2.216 16.604 ( 1.011 -0.382 -0.559) 1.217 16.673 ( 0.253 1.232 -0.817) 1.500 16.770 ( 0.081 -2.583 -0.104) 2.586 16.951 ( 0.479 -0.300 1.174) 1.303 16.986 ( -0.306 4.497 -1.320) 4.696 17.054 ( -0.563 1.235 0.080) 1.359 17.753 ( -1.369 0.002 3.099) 3.388 17.830 ( -1.836 1.904 -0.453) 2.683 17.944 ( 0.117 0.153 -0.259) 0.323 17.987 ( 0.905 -0.375 2.422) 2.613 24.801 ( -1.667 0.220 -2.097) 2.688 24.988 ( -2.352 6.624 3.611) 7.903 25.209 ( 0.783 1.981 -5.843) 6.219 25.442 ( -1.074 4.512 -0.746) 4.698 28.261 ( 0.767 0.361 -0.517) 0.993 28.268 ( -0.865 0.392 0.647) 1.149 28.440 ( 1.127 0.036 -0.836) 1.404 28.478 ( -1.535 -0.650 3.279) 3.678 28.684 ( -0.400 1.022 1.738) 2.055 28.975 ( -2.139 -1.952 -0.648) 2.968 30.669 ( 4.602 1.617 -4.132) 6.392 30.795 ( 2.422 5.973 -4.603) 7.920 32.897 ( -4.052 2.683 10.267) 11.359 33.244 ( -3.132 -1.258 4.849) 5.908 34.213 ( -10.733 3.891 -0.317) 11.421 34.648 ( -11.852 0.266 0.250) 11.858 35.852 ( 0.945 -2.341 -1.955) 3.193 36.031 ( 0.919 2.104 1.102) 2.547 36.234 ( 7.339 -1.670 -0.632) 7.553 36.674 ( -0.996 4.614 6.274) 7.851 39.357 ( 5.811 1.233 1.171) 6.055 40.335 ( 10.823 -20.073 -10.022) 24.910 40.639 ( 2.412 2.557 -4.324) 5.572 40.987 ( 2.454 -0.747 0.567) 2.627 76.493 ( 0.227 1.030 -1.945) 2.213 76.799 ( -1.833 -1.462 3.501) 4.214 79.354 ( -7.546 33.171 -1.180) 34.039 80.687 ( -4.151 5.759 -23.825) 24.860 ======================= Grid point 14 (10/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 20.104 0.277 2.024) 20.207 1.536 ( 15.873 6.579 3.627) 17.561 2.155 ( 4.289 -4.038 -5.555) 8.096 2.363 ( 0.821 -1.454 3.218) 3.626 2.389 ( 13.336 -1.131 10.293) 16.884 2.439 ( 6.543 -2.725 -7.148) 10.066 2.513 ( 0.501 0.781 -10.763) 10.803 2.566 ( -1.725 -2.948 2.231) 4.080 2.621 ( -1.382 1.284 5.476) 5.791 2.801 ( -2.449 0.689 0.443) 2.582 2.952 ( 1.051 4.208 -4.836) 6.496 3.210 ( -0.566 -0.092 0.353) 0.673 3.222 ( 1.386 2.746 2.359) 3.876 3.380 ( -0.117 0.236 2.261) 2.276 3.541 ( 1.129 -1.690 1.164) 2.342 3.847 ( -4.587 1.232 -3.814) 6.091 3.961 ( -0.296 3.966 -1.050) 4.113 4.039 ( 1.088 1.123 0.100) 1.567 4.218 ( 2.984 0.156 0.540) 3.037 4.362 ( 5.069 -4.596 5.194) 8.591 4.622 ( -0.324 -4.933 -1.548) 5.180 4.713 ( -5.708 -4.470 -0.097) 7.251 4.844 ( -3.866 -1.156 -0.804) 4.114 4.959 ( 3.161 -1.844 -0.201) 3.665 5.102 ( -3.320 5.788 -2.540) 7.139 5.266 ( 3.106 9.922 0.611) 10.414 5.407 ( -8.863 0.217 1.803) 9.048 5.592 ( -0.460 1.374 -0.114) 1.453 5.734 ( -1.245 -2.296 -1.310) 2.921 5.796 ( 1.902 -0.101 0.745) 2.045 5.999 ( -3.856 -2.521 -1.986) 5.017 6.470 ( -8.155 -18.239 6.273) 20.941 6.754 ( 4.968 -0.010 -5.852) 7.677 6.897 ( -6.612 1.459 0.938) 6.835 7.708 ( -5.690 -1.307 -4.353) 7.282 7.792 ( -6.089 1.800 3.302) 7.157 12.191 ( -1.390 -0.111 0.202) 1.409 12.215 ( 0.883 2.199 -1.866) 3.016 12.268 ( -0.930 -0.695 0.237) 1.185 12.432 ( 0.209 0.420 0.527) 0.705 12.493 ( -0.375 1.127 0.981) 1.540 12.572 ( -0.770 -0.143 -0.831) 1.142 13.422 ( -0.474 1.235 -2.061) 2.449 13.670 ( 1.266 1.617 0.907) 2.245 15.801 ( 1.353 2.558 -1.959) 3.494 16.048 ( 0.942 -1.304 1.726) 2.359 16.617 ( 0.733 0.127 -0.202) 0.770 16.672 ( 0.267 0.654 -0.549) 0.894 16.783 ( 0.822 -3.657 0.653) 3.805 16.960 ( -0.797 0.524 1.615) 1.875 16.978 ( 0.563 2.259 -1.516) 2.778 17.041 ( -0.894 1.517 0.173) 1.769 17.742 ( -1.716 0.858 2.057) 2.813 17.808 ( -0.448 0.997 -0.449) 1.181 17.938 ( -0.488 0.244 -0.474) 0.723 18.022 ( 1.023 -0.629 2.238) 2.540 24.757 ( -1.433 0.124 -2.229) 2.653 25.000 ( 0.372 4.394 3.836) 5.844 25.196 ( 0.945 -1.844 -3.455) 4.029 25.417 ( -1.116 4.178 -0.455) 4.348 28.259 ( -0.602 0.716 0.570) 1.096 28.276 ( 1.262 0.441 -0.611) 1.470 28.448 ( 0.513 -0.046 -1.017) 1.140 28.469 ( -1.495 0.097 1.960) 2.467 28.684 ( -0.868 1.045 1.364) 1.925 28.934 ( -1.875 -1.568 -0.377) 2.473 30.708 ( 3.267 2.289 -4.470) 5.991 30.840 ( 3.593 3.313 0.376) 4.901 32.896 ( -2.314 2.150 5.491) 6.334 33.209 ( -4.638 -1.427 4.765) 6.800 34.031 ( -9.247 2.251 0.434) 9.527 34.415 ( -14.006 -3.290 -0.622) 14.401 35.848 ( 1.226 0.540 -3.468) 3.717 36.093 ( 4.193 -0.519 1.568) 4.507 36.376 ( 8.695 0.686 -0.489) 8.736 36.701 ( -0.065 4.572 3.538) 5.782 39.476 ( 5.985 -0.062 1.429) 6.154 40.402 ( 3.794 -14.332 -4.974) 15.638 40.652 ( 2.480 2.778 -4.381) 5.750 41.033 ( 1.877 -0.706 1.075) 2.276 76.486 ( 0.707 1.075 -2.414) 2.736 76.790 ( -2.328 -1.284 4.448) 5.182 79.317 ( 1.606 19.533 0.011) 19.599 80.456 ( -6.548 2.017 -13.357) 15.012 ======================= Grid point 15 (11/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 12.577 -0.407 0.634) 12.600 1.785 ( 12.251 7.911 -2.731) 14.836 2.092 ( -0.139 -3.447 -14.498) 14.903 2.334 ( -2.434 3.607 -5.758) 7.217 2.364 ( -4.637 2.781 7.286) 9.073 2.429 ( -5.212 -1.717 -0.326) 5.497 2.579 ( 4.905 -3.993 2.489) 6.797 2.648 ( 2.673 0.386 3.354) 4.306 2.742 ( 0.191 -3.111 1.502) 3.460 2.890 ( 8.638 -2.073 -0.524) 8.898 2.952 ( 5.052 1.736 4.380) 6.908 3.172 ( -1.528 3.779 0.482) 4.105 3.342 ( 6.674 -1.093 2.802) 7.320 3.386 ( -2.480 -2.253 -1.662) 3.740 3.529 ( 0.561 -2.594 -1.590) 3.094 3.746 ( -0.677 7.779 -0.030) 7.808 3.985 ( -0.646 -1.642 3.206) 3.660 4.149 ( 9.395 0.942 0.888) 9.484 4.262 ( 1.499 1.489 0.949) 2.316 4.442 ( -2.615 -6.321 0.778) 6.885 4.575 ( 0.178 -2.364 -0.630) 2.453 4.642 ( -2.443 -2.026 -2.191) 3.857 4.754 ( -3.943 -3.453 -0.398) 5.256 4.919 ( -6.803 1.208 0.937) 6.973 5.085 ( 1.015 -0.417 -3.288) 3.466 5.272 ( -5.642 0.941 4.654) 7.374 5.339 ( 3.111 7.882 -0.677) 8.500 5.583 ( 0.397 -0.702 -1.069) 1.339 5.710 ( -1.252 -3.155 -0.353) 3.413 5.832 ( 1.559 1.822 0.660) 2.487 5.926 ( -2.109 -2.580 -2.240) 4.015 6.358 ( -6.819 -12.663 1.061) 14.421 6.767 ( -3.178 0.704 -1.695) 3.670 6.815 ( 0.272 1.421 -0.250) 1.468 7.588 ( -3.925 0.496 -4.119) 5.711 7.719 ( -4.744 0.615 3.529) 5.945 12.171 ( -0.946 -0.263 0.138) 0.991 12.220 ( 0.939 2.331 -1.505) 2.930 12.253 ( -0.968 -1.122 0.459) 1.551 12.440 ( 0.288 0.837 0.373) 0.961 12.492 ( -0.438 0.045 0.713) 0.838 12.554 ( -0.594 0.034 -0.651) 0.882 13.400 ( -0.428 1.386 -1.407) 2.021 13.705 ( 1.529 -0.143 1.088) 1.882 15.810 ( 0.968 2.954 -1.490) 3.448 16.079 ( 1.054 -1.171 1.399) 2.107 16.629 ( 0.593 0.390 0.093) 0.716 16.674 ( 0.321 -0.135 -0.259) 0.434 16.801 ( 0.611 -3.358 0.584) 3.463 16.951 ( -1.269 0.789 1.608) 2.195 16.972 ( -0.132 0.846 -1.726) 1.927 17.032 ( -0.169 1.675 0.218) 1.698 17.727 ( -1.215 1.341 1.129) 2.132 17.802 ( -0.082 0.396 -0.222) 0.461 17.922 ( -0.733 0.425 -0.557) 1.014 18.053 ( 0.786 -0.733 1.558) 1.893 24.719 ( -1.117 0.547 -1.725) 2.127 25.045 ( 1.351 2.364 3.903) 4.759 25.183 ( 0.088 -3.572 -2.974) 4.649 25.398 ( -0.759 4.046 -0.222) 4.122 28.254 ( -0.351 0.903 0.424) 1.057 28.296 ( 1.459 0.350 -0.655) 1.638 28.446 ( 0.058 0.021 -0.867) 0.870 28.456 ( -1.274 0.288 1.434) 1.939 28.674 ( -0.929 1.271 0.629) 1.695 28.905 ( -1.128 -1.273 -0.097) 1.704 30.727 ( 1.810 2.536 -2.553) 4.028 30.907 ( 2.923 1.733 1.011) 3.546 32.897 ( -0.785 1.243 2.440) 2.849 33.155 ( -4.436 -1.648 3.472) 5.870 33.903 ( -5.472 1.126 1.250) 5.725 34.163 ( -11.938 -3.025 -2.407) 12.549 35.849 ( 1.246 1.958 -2.637) 3.513 36.181 ( 4.038 -2.675 1.214) 4.993 36.523 ( 7.496 3.102 -0.268) 8.117 36.718 ( -0.449 3.954 2.091) 4.495 39.580 ( 4.292 -1.289 1.162) 4.630 40.419 ( 1.286 -11.843 -2.196) 12.113 40.664 ( 1.751 2.991 -2.986) 4.575 41.067 ( 1.031 -0.884 1.040) 1.711 76.483 ( 0.750 1.511 -2.041) 2.648 76.781 ( -2.022 -1.424 3.719) 4.467 79.364 ( 2.715 12.555 0.457) 12.853 80.272 ( -5.539 0.322 -6.974) 8.911 ======================= Grid point 16 (12/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.440 3.989 -1.960) 4.466 1.968 ( 10.702 6.523 -6.204) 13.985 2.043 ( 1.564 -0.182 -3.304) 3.660 2.259 ( -4.700 3.608 2.798) 6.553 2.301 ( -4.701 -0.439 2.123) 5.177 2.384 ( -0.374 2.705 0.152) 2.735 2.647 ( 0.968 -2.216 2.734) 3.650 2.676 ( -0.698 -1.861 0.125) 1.991 2.792 ( 4.628 -1.450 -0.827) 4.920 2.877 ( -2.178 -1.304 -1.204) 2.809 3.138 ( 3.646 -0.399 3.249) 4.900 3.169 ( 1.657 3.096 0.037) 3.512 3.269 ( -3.997 -0.723 -2.967) 5.030 3.493 ( 4.803 -5.139 3.063) 7.672 3.571 ( 2.046 -3.780 -0.291) 4.308 3.742 ( -0.525 5.468 -0.269) 5.500 4.036 ( 2.963 -1.475 3.890) 5.107 4.276 ( 0.493 2.992 1.122) 3.233 4.304 ( -2.152 -6.718 -4.023) 8.121 4.352 ( 4.977 1.695 2.866) 5.988 4.522 ( -6.580 2.082 -3.780) 7.869 4.644 ( 3.009 -4.020 0.034) 5.021 4.726 ( 0.002 -7.387 0.560) 7.409 4.827 ( -3.097 0.564 0.566) 3.198 5.003 ( -5.282 0.557 -0.125) 5.312 5.279 ( 1.031 1.326 1.633) 2.343 5.374 ( 1.153 6.224 -0.603) 6.358 5.601 ( 2.063 -2.651 -0.427) 3.386 5.673 ( -2.458 -5.908 -0.265) 6.404 5.853 ( 0.402 2.234 0.079) 2.271 5.901 ( 0.153 -0.443 -0.645) 0.797 6.266 ( -2.930 -8.090 -0.464) 8.616 6.699 ( -2.398 1.791 0.332) 3.012 6.833 ( 0.963 -0.273 -0.611) 1.173 7.518 ( -1.390 2.056 -1.653) 2.982 7.677 ( -1.802 -0.038 1.429) 2.301 12.160 ( -0.322 -0.325 0.061) 0.461 12.225 ( 0.551 2.404 -0.879) 2.619 12.242 ( -0.556 -1.405 0.519) 1.598 12.446 ( 0.183 1.338 0.131) 1.356 12.488 ( -0.285 -0.925 0.228) 0.994 12.543 ( -0.198 0.242 -0.220) 0.382 13.388 ( -0.165 1.462 -0.496) 1.553 13.732 ( 0.661 -1.035 0.472) 1.316 15.814 ( 0.348 3.210 -0.553) 3.276 16.100 ( 0.465 -1.124 0.546) 1.333 16.637 ( 0.247 0.406 0.076) 0.481 16.678 ( 0.160 -0.482 -0.059) 0.511 16.812 ( 0.217 -2.950 0.217) 2.965 16.943 ( -0.794 -1.037 1.592) 2.059 16.955 ( -0.082 2.305 -1.708) 2.870 17.034 ( 0.096 1.431 0.106) 1.438 17.717 ( -0.433 1.481 0.362) 1.585 17.800 ( -0.011 0.114 -0.066) 0.132 17.909 ( -0.342 0.587 -0.257) 0.726 18.070 ( 0.294 -0.767 0.558) 0.993 24.696 ( -0.429 0.868 -0.645) 1.163 25.096 ( 1.201 2.700 3.066) 4.258 25.156 ( -0.647 -5.648 -2.656) 6.275 25.388 ( -0.249 3.935 -0.056) 3.944 28.252 ( -0.114 0.977 0.159) 0.996 28.314 ( 0.730 0.125 -0.337) 0.814 28.441 ( -0.050 0.112 -0.330) 0.352 28.446 ( -0.570 0.393 0.620) 0.930 28.664 ( -0.411 1.492 0.136) 1.553 28.892 ( -0.359 -1.119 0.000) 1.175 30.737 ( 0.590 2.500 -0.784) 2.685 30.949 ( 1.072 1.029 0.433) 1.548 32.901 ( -0.029 0.641 0.601) 0.879 33.112 ( -1.931 -1.833 1.327) 2.974 33.858 ( -0.815 0.348 1.501) 1.744 33.982 ( -5.534 -2.004 -2.153) 6.267 35.852 ( 0.497 2.479 -0.956) 2.703 36.240 ( 1.630 -3.579 0.465) 3.961 36.625 ( 3.729 5.332 -0.408) 6.520 36.714 ( -1.082 2.566 1.029) 2.968 39.639 ( 1.541 -2.062 0.443) 2.613 40.422 ( 0.297 -10.867 -0.618) 10.889 40.671 ( 0.625 3.120 -1.034) 3.346 41.084 ( 0.308 -1.040 0.426) 1.166 76.483 ( 0.323 1.895 -0.809) 2.086 76.774 ( -0.817 -1.617 1.452) 2.322 79.403 ( 1.127 9.636 0.236) 9.705 80.168 ( -2.120 -0.372 -2.172) 3.058 ======================= Grid point 22 (13/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 24.634 0.000) 24.634 1.071 ( 0.000 26.453 0.000) 26.453 1.409 ( 0.000 31.766 0.000) 31.766 2.026 ( 0.000 -9.741 0.000) 9.741 2.103 ( 0.000 0.829 0.000) 0.829 2.261 ( 0.000 -12.446 0.000) 12.446 2.398 ( 0.000 -4.415 0.000) 4.415 2.516 ( 0.000 -9.109 0.000) 9.109 2.953 ( 0.000 -2.177 0.000) 2.177 2.960 ( 0.000 -0.560 0.000) 0.560 3.045 ( 0.000 -4.538 0.000) 4.538 3.094 ( 0.000 -1.671 0.000) 1.671 3.207 ( 0.000 0.337 0.000) 0.337 3.209 ( 0.000 -0.919 0.000) 0.919 3.744 ( 0.000 1.318 0.000) 1.318 3.997 ( 0.000 3.553 0.000) 3.553 4.066 ( 0.000 8.684 0.000) 8.684 4.075 ( 0.000 -0.558 0.000) 0.558 4.277 ( 0.000 10.992 0.000) 10.992 4.359 ( 0.000 -7.801 0.000) 7.801 4.519 ( 0.000 -8.889 0.000) 8.889 4.755 ( 0.000 4.421 0.000) 4.421 4.867 ( 0.000 1.875 0.000) 1.875 4.952 ( 0.000 5.641 0.000) 5.641 5.023 ( 0.000 -10.272 0.000) 10.272 5.176 ( 0.000 -1.324 0.000) 1.324 5.473 ( 0.000 5.094 0.000) 5.094 5.666 ( 0.000 -0.284 0.000) 0.284 5.738 ( 0.000 -4.274 0.000) 4.274 5.839 ( 0.000 -4.182 0.000) 4.182 6.272 ( 0.000 2.651 0.000) 2.651 6.352 ( 0.000 1.514 0.000) 1.514 6.647 ( 0.000 2.489 0.000) 2.489 6.880 ( 0.000 -5.497 0.000) 5.497 7.985 ( 0.000 -1.848 0.000) 1.848 8.026 ( 0.000 -3.282 0.000) 3.282 12.227 ( 0.000 1.598 0.000) 1.598 12.297 ( 0.000 2.142 0.000) 2.142 12.301 ( 0.000 -0.024 0.000) 0.024 12.419 ( 0.000 -2.175 0.000) 2.175 12.518 ( 0.000 2.306 0.000) 2.306 12.601 ( 0.000 -0.528 0.000) 0.528 13.499 ( 0.000 2.817 0.000) 2.817 13.762 ( 0.000 -5.051 0.000) 5.051 15.820 ( 0.000 2.582 0.000) 2.582 15.965 ( 0.000 -2.573 0.000) 2.573 16.602 ( 0.000 1.517 0.000) 1.517 16.657 ( 0.000 -0.392 0.000) 0.392 16.855 ( 0.000 0.860 0.000) 0.860 16.915 ( 0.000 -0.697 0.000) 0.697 17.068 ( 0.000 0.798 0.000) 0.798 17.090 ( 0.000 0.240 0.000) 0.240 17.754 ( 0.000 2.401 0.000) 2.401 17.900 ( 0.000 -2.083 0.000) 2.083 17.944 ( 0.000 0.394 0.000) 0.394 17.963 ( 0.000 -0.290 0.000) 0.290 24.870 ( 0.000 0.517 0.000) 0.517 24.992 ( 0.000 -3.972 0.000) 3.972 25.529 ( 0.000 3.831 0.000) 3.831 25.635 ( 0.000 -0.291 0.000) 0.291 28.260 ( 0.000 0.339 0.000) 0.339 28.280 ( 0.000 -0.399 0.000) 0.399 28.419 ( 0.000 0.346 0.000) 0.346 28.419 ( 0.000 0.360 0.000) 0.360 28.716 ( 0.000 3.097 0.000) 3.097 28.963 ( 0.000 -4.241 0.000) 4.241 30.665 ( 0.000 4.665 0.000) 4.665 30.913 ( 0.000 -2.764 0.000) 2.764 32.936 ( 0.000 6.104 0.000) 6.104 33.219 ( 0.000 -2.581 0.000) 2.581 34.586 ( 0.000 8.864 0.000) 8.864 35.299 ( 0.000 -13.297 0.000) 13.297 35.694 ( 0.000 0.920 0.000) 0.920 35.837 ( 0.000 -2.053 0.000) 2.053 36.283 ( 0.000 7.418 0.000) 7.418 36.608 ( 0.000 -3.401 0.000) 3.401 39.326 ( 0.000 2.786 0.000) 2.786 39.505 ( 0.000 -2.589 0.000) 2.589 40.688 ( 0.000 3.900 0.000) 3.900 40.891 ( 0.000 -2.287 0.000) 2.287 76.561 ( 0.000 2.852 0.000) 2.852 76.752 ( 0.000 -3.308 0.000) 3.308 80.487 ( 0.000 17.413 0.000) 17.413 81.407 ( 0.000 -10.482 0.000) 10.482 ======================= Grid point 23 (14/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.977 25.085 -5.600) 25.721 1.118 ( 12.303 20.207 -0.628) 23.666 1.675 ( 14.944 24.794 15.783) 32.972 2.028 ( -1.082 -9.782 3.458) 10.432 2.119 ( 1.797 -4.344 -1.395) 4.904 2.289 ( 2.678 -6.268 -0.794) 6.862 2.363 ( 0.558 -8.132 -2.122) 8.423 2.601 ( 5.189 -5.872 2.872) 8.346 2.848 ( -6.670 -0.248 -2.019) 6.974 2.935 ( -0.257 0.360 -3.797) 3.823 3.010 ( -5.157 -1.383 -4.149) 6.762 3.088 ( 1.858 -3.116 0.310) 3.640 3.240 ( 4.673 0.103 -0.108) 4.676 3.299 ( 4.647 -1.644 0.269) 4.937 3.749 ( 1.394 1.709 -0.841) 2.361 3.930 ( -8.326 11.883 -2.834) 14.784 4.009 ( -2.758 0.122 3.361) 4.349 4.123 ( 4.015 -0.707 0.334) 4.090 4.227 ( -5.722 3.628 1.296) 6.898 4.344 ( -1.471 -1.914 -4.377) 4.998 4.514 ( 1.558 -5.962 -2.674) 6.718 4.748 ( -0.205 2.886 -0.502) 2.937 4.855 ( 0.929 2.090 -3.520) 4.198 4.951 ( -3.225 -3.138 5.887) 7.410 5.094 ( 7.346 0.439 -1.310) 7.475 5.299 ( 6.160 -4.102 6.734) 10.006 5.492 ( 1.954 2.646 2.684) 4.245 5.650 ( -2.138 -0.730 1.368) 2.641 5.732 ( -0.392 -3.351 -0.070) 3.374 5.832 ( -1.842 -3.217 1.170) 3.887 6.110 ( -9.476 4.016 -5.580) 11.707 6.358 ( -5.371 -4.191 5.328) 8.649 6.673 ( 3.685 2.453 -2.921) 5.304 6.909 ( 2.638 -5.155 -0.939) 5.866 7.939 ( -3.518 -2.231 -4.277) 5.970 7.980 ( -5.564 -1.750 3.498) 6.801 12.229 ( 0.148 1.429 -0.307) 1.469 12.283 ( -0.913 1.877 -0.691) 2.199 12.295 ( -0.922 0.371 0.593) 1.157 12.418 ( 0.082 -1.633 -0.246) 1.654 12.523 ( -0.179 1.964 1.206) 2.311 12.597 ( -0.385 -0.469 -0.178) 0.632 13.494 ( -0.180 2.797 -0.873) 2.935 13.733 ( -2.125 -2.998 -1.292) 3.895 15.826 ( 0.870 2.686 -0.589) 2.884 15.970 ( 0.344 -2.449 0.696) 2.569 16.602 ( 0.161 1.240 -0.134) 1.257 16.662 ( 0.525 -0.662 -0.062) 0.848 16.823 ( -2.084 1.827 -1.954) 3.391 16.922 ( 0.370 -1.034 0.513) 1.212 17.058 ( -1.230 1.218 0.704) 1.869 17.087 ( 0.643 0.904 -2.068) 2.347 17.762 ( -0.127 1.954 1.904) 2.731 17.884 ( -1.575 -1.272 -0.331) 2.051 17.947 ( 0.413 0.321 -0.736) 0.903 17.961 ( -0.013 -0.064 0.740) 0.743 24.855 ( -1.209 0.805 -1.163) 1.860 24.990 ( -0.739 -3.800 1.411) 4.121 25.476 ( -5.865 5.658 -3.072) 8.709 25.562 ( -2.875 3.236 -2.937) 5.231 28.261 ( 0.298 0.380 -0.104) 0.494 28.278 ( -0.294 -0.149 0.309) 0.452 28.428 ( 0.916 0.289 -0.262) 0.996 28.442 ( 0.636 -0.488 3.025) 3.130 28.716 ( -0.031 2.936 0.196) 2.942 28.952 ( -0.985 -4.021 -0.641) 4.189 30.683 ( 2.376 4.505 -1.232) 5.240 30.893 ( 0.501 -0.263 -5.270) 5.301 32.956 ( -1.810 5.267 8.078) 9.812 33.219 ( -1.297 -2.546 2.998) 4.141 34.508 ( -7.871 7.692 -1.576) 11.118 34.989 ( -19.481 -2.669 -8.871) 21.571 35.781 ( 3.208 -1.870 0.865) 3.813 35.897 ( 3.040 -5.098 6.033) 8.464 36.275 ( 0.331 8.739 0.107) 8.745 36.653 ( 1.813 -2.662 4.660) 5.664 39.329 ( 2.062 3.821 0.218) 4.347 39.709 ( 17.850 -12.773 -3.811) 22.278 40.693 ( 1.184 4.054 -1.613) 4.521 40.910 ( 2.005 -2.432 0.019) 3.152 76.551 ( -0.757 3.063 -0.360) 3.176 76.753 ( -0.304 -3.308 0.966) 3.459 80.305 ( -18.707 23.640 0.362) 30.148 81.135 ( -13.521 -0.760 -22.653) 26.392 ======================= Grid point 24 (15/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 11.659 14.008 3.608) 18.579 1.391 ( 17.358 13.526 -0.905) 22.024 2.036 ( 1.089 -7.911 1.814) 8.190 2.040 ( 8.576 5.651 16.054) 19.058 2.163 ( 6.704 -6.648 -1.252) 9.524 2.310 ( 2.083 -3.107 -1.062) 3.888 2.452 ( 7.943 -3.880 -0.378) 8.848 2.628 ( -2.679 -0.237 -2.304) 3.541 2.762 ( -3.552 2.839 -2.002) 4.968 2.898 ( -3.727 0.021 -2.817) 4.672 2.932 ( 4.513 -1.205 -3.672) 5.942 3.122 ( 1.995 -2.000 0.913) 2.968 3.305 ( 2.042 1.549 -0.159) 2.568 3.357 ( 2.108 -1.373 -0.810) 2.643 3.726 ( -9.864 12.186 -3.114) 15.984 3.796 ( 4.251 0.659 -0.025) 4.301 4.036 ( 2.505 -2.436 3.245) 4.769 4.099 ( -7.425 -2.424 -2.075) 8.081 4.193 ( 1.275 -1.980 2.319) 3.305 4.272 ( -1.987 7.356 -2.282) 7.955 4.519 ( -0.064 -7.868 -1.587) 8.027 4.724 ( -2.758 -1.176 0.526) 3.044 4.858 ( 1.467 0.691 -2.598) 3.063 4.938 ( 0.387 0.225 -0.874) 0.982 5.215 ( 3.864 4.500 2.698) 6.516 5.363 ( -1.496 1.727 3.525) 4.200 5.561 ( -1.597 -3.426 1.753) 4.167 5.619 ( -1.211 -0.129 0.554) 1.337 5.727 ( -1.115 -3.303 -0.964) 3.617 5.771 ( -1.701 4.541 -1.153) 4.984 5.972 ( -3.350 -4.595 1.699) 5.935 6.251 ( -9.198 -9.737 4.243) 14.051 6.721 ( 4.327 1.798 -4.347) 6.392 6.927 ( -0.316 -4.225 -1.088) 4.374 7.818 ( -6.124 -1.246 -3.177) 7.011 7.895 ( -6.147 -1.113 2.339) 6.671 12.220 ( -1.181 0.806 0.077) 1.432 12.266 ( 0.173 2.068 -1.768) 2.726 12.279 ( -1.451 0.505 1.047) 1.860 12.421 ( 0.295 -1.140 0.000) 1.178 12.525 ( -0.643 1.690 1.240) 2.193 12.585 ( -0.694 -0.339 -0.361) 0.853 13.480 ( -0.399 2.808 -1.439) 3.181 13.690 ( -1.339 -1.192 -0.907) 2.009 15.842 ( 1.432 3.016 -0.932) 3.466 15.987 ( 0.833 -2.188 1.206) 2.634 16.608 ( 0.618 0.724 -0.081) 0.955 16.672 ( 0.593 -1.025 -0.123) 1.191 16.775 ( -1.427 2.391 -1.509) 3.167 16.931 ( 0.105 -1.706 0.589) 1.808 17.041 ( -0.830 1.845 -0.017) 2.023 17.081 ( 0.028 1.132 -1.268) 1.700 17.770 ( -0.757 1.653 2.397) 3.009 17.849 ( -1.585 0.132 -0.568) 1.689 17.948 ( 0.328 0.261 -0.776) 0.882 17.977 ( 0.789 -0.667 1.356) 1.705 24.817 ( -1.693 1.409 -1.676) 2.767 24.987 ( -0.989 -3.659 2.114) 4.340 25.342 ( -4.206 8.492 -4.408) 10.452 25.513 ( -1.945 2.485 -0.920) 3.287 28.270 ( 0.809 0.472 -0.373) 1.008 28.276 ( -0.254 0.377 0.474) 0.657 28.442 ( 0.821 0.206 -0.389) 0.932 28.466 ( -0.490 -0.564 2.916) 3.010 28.717 ( -0.191 2.518 0.485) 2.571 28.923 ( -1.509 -3.459 -0.805) 3.859 30.727 ( 3.695 4.127 -2.290) 5.994 30.876 ( 1.565 2.075 -3.750) 4.562 32.968 ( -3.488 4.601 8.031) 9.891 33.208 ( -3.221 -2.588 4.672) 6.237 34.307 ( -12.032 5.788 -1.923) 13.490 34.626 ( -15.849 -2.837 -4.153) 16.628 35.830 ( 2.836 -0.150 -1.059) 3.031 35.977 ( 2.749 -5.086 2.076) 6.143 36.328 ( 5.221 8.978 1.181) 10.453 36.715 ( 1.235 -0.680 4.460) 4.678 39.398 ( 4.916 3.364 0.273) 5.963 39.956 ( 11.982 -18.315 -4.044) 22.257 40.706 ( 2.040 4.394 -2.711) 5.552 40.954 ( 2.490 -2.762 0.316) 3.732 76.535 ( -0.477 3.254 -0.659) 3.354 76.754 ( -0.890 -3.196 2.028) 3.888 79.956 ( -15.869 28.419 -2.695) 32.661 80.765 ( -11.119 0.780 -17.689) 20.908 ======================= Grid point 25 (16/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 16.237 7.179 6.095) 18.770 1.688 ( 15.171 9.042 0.402) 17.666 2.062 ( 3.596 -6.563 -5.564) 9.325 2.186 ( 5.652 -12.749 2.220) 14.121 2.327 ( 3.204 -6.167 1.245) 7.060 2.407 ( 4.791 -0.297 8.140) 9.450 2.536 ( 3.337 1.746 -4.055) 5.534 2.597 ( -0.904 4.965 -2.450) 5.609 2.689 ( 0.710 3.364 4.763) 5.874 2.802 ( -4.234 -1.186 -1.976) 4.821 3.000 ( 3.460 2.499 -4.813) 6.433 3.189 ( 3.704 -0.921 2.230) 4.420 3.307 ( -0.872 3.104 -0.380) 3.247 3.386 ( 2.238 -0.760 0.203) 2.372 3.568 ( -6.059 6.869 -1.260) 9.245 3.872 ( 1.504 1.345 0.792) 2.167 3.996 ( 1.181 -0.976 -3.529) 3.847 4.085 ( -1.994 3.397 0.180) 3.943 4.188 ( 2.067 -8.252 2.128) 8.769 4.289 ( 1.364 4.165 1.621) 4.673 4.495 ( -0.684 -8.492 -1.152) 8.597 4.664 ( -4.097 -2.447 0.584) 4.808 4.835 ( -3.835 1.147 1.208) 4.181 4.960 ( 2.074 0.894 -1.955) 2.987 5.213 ( -3.690 5.683 -0.964) 6.844 5.388 ( 1.041 2.651 3.087) 4.200 5.418 ( -9.075 0.639 -1.976) 9.310 5.601 ( -1.873 -2.393 -1.065) 3.220 5.703 ( -0.367 1.104 -0.152) 1.173 5.803 ( 2.552 1.194 1.477) 3.182 5.935 ( -2.907 -4.092 -1.255) 5.174 6.145 ( -5.139 -14.387 4.906) 16.045 6.760 ( 3.246 0.747 -3.892) 5.123 6.885 ( -3.387 -2.195 -0.317) 4.049 7.694 ( -4.935 0.102 -2.726) 5.639 7.801 ( -5.939 -0.936 2.033) 6.347 12.193 ( -1.714 0.403 0.277) 1.782 12.251 ( -0.960 -0.834 -0.897) 1.556 12.271 ( 0.249 3.209 -0.058) 3.219 12.429 ( 0.558 -0.985 0.209) 1.151 12.517 ( -0.987 1.486 0.906) 2.001 12.569 ( -0.791 -0.217 -0.481) 0.951 13.460 ( -0.523 2.937 -1.487) 3.333 13.675 ( -0.058 -1.536 -0.087) 1.540 15.862 ( 1.520 3.548 -0.974) 3.981 16.016 ( 1.289 -1.966 1.389) 2.731 16.621 ( 0.777 0.461 0.138) 0.914 16.677 ( 0.110 -0.626 -0.437) 0.772 16.757 ( 0.039 1.146 -0.240) 1.171 16.931 ( -0.688 -2.400 0.609) 2.570 17.028 ( -0.372 2.056 -0.508) 2.150 17.069 ( -0.559 1.137 -0.614) 1.408 17.769 ( -1.177 1.833 2.050) 2.991 17.824 ( -0.938 0.517 -0.328) 1.121 17.945 ( -0.091 0.449 -0.835) 0.952 18.004 ( 1.040 -1.224 1.427) 2.148 24.776 ( -1.413 1.816 -1.672) 2.845 24.987 ( -0.718 -4.332 2.254) 4.936 25.268 ( -1.457 7.369 -3.073) 8.116 25.474 ( -1.787 1.542 -0.369) 2.389 28.275 ( -0.053 0.838 0.126) 0.849 28.285 ( 1.097 0.514 -0.298) 1.247 28.449 ( 0.294 0.192 -0.424) 0.550 28.469 ( -1.144 -0.117 2.138) 2.428 28.715 ( -0.421 2.271 0.427) 2.348 28.892 ( -1.308 -2.847 -0.557) 3.182 30.770 ( 2.970 4.066 -2.779) 5.751 30.896 ( 2.283 2.027 -0.607) 3.113 32.952 ( -3.294 3.706 5.060) 7.084 33.169 ( -4.775 -2.759 4.502) 7.119 34.088 ( -10.524 3.662 -0.964) 11.184 34.337 ( -13.950 -4.638 -2.779) 14.961 35.869 ( 3.001 1.692 -2.523) 4.270 36.043 ( 3.927 -4.017 0.140) 5.620 36.463 ( 7.851 7.535 1.958) 11.057 36.761 ( 0.657 1.075 3.434) 3.658 39.492 ( 4.971 2.351 0.380) 5.512 40.086 ( 5.813 -17.616 -2.592) 18.731 40.724 ( 2.061 4.695 -2.713) 5.801 40.997 ( 1.829 -3.126 0.652) 3.680 76.527 ( 0.231 3.281 -0.882) 3.406 76.750 ( -1.478 -2.985 2.674) 4.272 79.740 ( -6.790 23.145 -2.098) 24.211 80.473 ( -10.054 -1.217 -10.642) 14.691 ======================= Grid point 26 (17/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 12.877 6.902 4.880) 15.404 1.925 ( 11.351 6.162 -0.702) 12.935 2.063 ( 4.589 0.951 -13.116) 13.928 2.320 ( 5.804 -9.119 1.400) 10.900 2.336 ( -0.901 -3.783 -3.089) 4.967 2.414 ( -4.141 0.506 3.020) 5.150 2.524 ( -1.315 -0.442 3.115) 3.410 2.643 ( 0.068 -1.195 4.363) 4.524 2.738 ( 0.815 1.929 0.520) 2.158 2.839 ( 6.382 -2.081 2.776) 7.264 2.998 ( 0.961 4.037 0.143) 4.152 3.237 ( 0.442 2.220 0.414) 2.301 3.314 ( 1.923 -2.609 -0.063) 3.241 3.430 ( -0.690 5.062 1.302) 5.272 3.475 ( -0.675 -0.449 -4.136) 4.215 3.871 ( -0.517 5.023 0.896) 5.128 4.001 ( -1.627 2.292 1.098) 3.017 4.109 ( 6.782 -4.460 -1.978) 8.355 4.266 ( 2.879 -9.763 0.886) 10.217 4.308 ( 0.770 2.756 0.715) 2.949 4.491 ( 0.511 -5.573 -1.368) 5.761 4.603 ( -1.913 -2.698 -0.892) 3.425 4.747 ( -7.384 2.041 3.273) 8.331 4.929 ( -5.995 -0.265 2.918) 6.673 5.134 ( -2.610 4.801 -5.718) 7.910 5.281 ( -3.991 0.211 2.564) 4.748 5.424 ( -0.171 0.048 1.209) 1.222 5.551 ( -1.218 -4.005 -3.294) 5.327 5.680 ( -2.061 2.040 -0.141) 2.903 5.859 ( 0.865 0.049 0.012) 0.866 5.878 ( 0.728 -1.243 -1.150) 1.843 6.117 ( -2.101 -11.526 2.428) 11.965 6.770 ( -0.288 0.189 -2.328) 2.354 6.828 ( -1.912 -0.359 0.601) 2.037 7.608 ( -2.576 1.638 -2.514) 3.955 7.720 ( -4.558 -0.706 1.953) 5.008 12.168 ( -1.176 0.107 0.253) 1.208 12.227 ( -1.093 -1.499 -0.389) 1.896 12.278 ( 0.571 3.522 -0.341) 3.584 12.442 ( 0.727 -0.988 0.163) 1.237 12.503 ( -1.167 1.297 0.552) 1.831 12.553 ( -0.539 -0.124 -0.380) 0.672 13.442 ( -0.424 3.110 -1.067) 3.316 13.681 ( 0.501 -2.628 0.312) 2.694 15.880 ( 1.153 4.148 -0.720) 4.365 16.050 ( 1.256 -1.844 1.141) 2.506 16.636 ( 0.606 0.401 0.278) 0.778 16.672 ( -0.096 -0.291 -0.473) 0.564 16.765 ( 0.624 -0.158 0.301) 0.710 16.916 ( -1.253 -2.716 0.446) 3.024 17.018 ( -0.320 2.170 -0.809) 2.338 17.057 ( -0.385 0.935 -0.046) 1.012 17.760 ( -1.059 2.032 1.318) 2.644 17.809 ( -0.542 0.319 -0.102) 0.638 17.935 ( -0.299 0.918 -0.729) 1.210 18.031 ( 0.840 -1.572 1.055) 2.072 24.744 ( -0.930 2.125 -1.263) 2.641 24.993 ( -0.313 -5.821 1.834) 6.111 25.235 ( -0.454 6.468 -1.887) 6.753 25.445 ( -1.210 0.891 -0.099) 1.505 28.275 ( -0.050 1.150 0.124) 1.158 28.303 ( 1.107 0.280 -0.509) 1.250 28.448 ( -0.057 0.251 -0.320) 0.411 28.461 ( -1.089 0.194 1.472) 1.842 28.709 ( -0.460 2.373 0.166) 2.423 28.870 ( -0.751 -2.386 -0.236) 2.513 30.793 ( 1.568 4.216 -1.848) 4.863 30.937 ( 1.942 0.979 0.498) 2.231 32.931 ( -1.931 2.380 2.392) 3.887 33.111 ( -4.545 -2.938 3.169) 6.271 33.932 ( -6.395 1.897 0.223) 6.674 34.095 ( -10.437 -3.908 -2.822) 11.496 35.899 ( 2.265 3.232 -2.368) 4.603 36.115 ( 3.832 -4.010 -0.147) 5.548 36.614 ( 7.244 6.091 1.202) 9.541 36.785 ( -0.432 2.517 2.643) 3.675 39.572 ( 3.439 1.236 0.327) 3.669 40.144 ( 2.498 -16.175 -1.268) 16.415 40.739 ( 1.441 4.850 -1.846) 5.386 41.027 ( 0.940 -3.446 0.670) 3.634 76.529 ( 0.610 3.332 -0.881) 3.500 76.741 ( -1.541 -2.803 2.375) 3.984 79.656 ( -2.120 17.006 -0.874) 17.160 80.258 ( -7.158 -2.312 -5.616) 9.387 ======================= Grid point 27 (18/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 2.511 9.528 0.409) 9.862 2.060 ( 5.154 2.507 -2.789) 6.374 2.115 ( 8.491 7.808 -6.153) 13.073 2.271 ( -2.394 -0.894 -1.323) 2.878 2.346 ( -4.634 2.218 3.491) 6.211 2.396 ( -0.773 -1.926 2.676) 3.387 2.565 ( 2.140 -5.070 4.118) 6.873 2.624 ( -1.759 -3.727 -1.558) 4.405 2.796 ( 2.751 1.328 2.427) 3.901 2.854 ( -1.351 -0.374 -3.367) 3.647 3.106 ( 4.891 -1.165 5.048) 7.124 3.211 ( -2.539 0.033 -2.497) 3.561 3.349 ( 1.296 1.049 -0.404) 1.715 3.396 ( -0.485 3.903 0.673) 3.990 3.480 ( 0.727 -5.262 -0.760) 5.366 3.862 ( -0.351 6.533 -0.218) 6.546 4.041 ( 2.864 1.286 3.735) 4.879 4.138 ( -1.797 -9.323 -3.256) 10.037 4.333 ( 4.483 -6.667 -0.065) 8.034 4.342 ( 1.554 4.318 0.067) 4.589 4.475 ( -0.793 -7.513 -0.468) 7.569 4.577 ( 0.361 1.021 -5.175) 5.287 4.649 ( -5.686 -1.585 5.580) 8.123 4.845 ( -3.838 0.493 2.042) 4.376 5.048 ( -2.598 4.338 -1.558) 5.291 5.283 ( 0.630 -0.882 1.349) 1.730 5.415 ( -0.629 -3.157 0.134) 3.222 5.517 ( -0.364 -6.938 -2.330) 7.328 5.646 ( -1.052 4.828 -0.185) 4.944 5.855 ( 0.451 -1.373 -0.559) 1.549 5.916 ( 1.282 1.453 0.280) 1.957 6.096 ( -1.062 -8.558 0.400) 8.633 6.734 ( -1.389 1.821 -0.288) 2.308 6.823 ( 0.137 -0.972 0.028) 0.982 7.566 ( -0.676 2.809 -1.142) 3.107 7.672 ( -1.772 -0.574 0.906) 2.071 12.156 ( -0.395 -0.068 0.112) 0.416 12.210 ( -0.452 -1.812 -0.149) 1.873 12.284 ( 0.250 3.581 -0.127) 3.592 12.456 ( 0.638 -1.498 0.014) 1.628 12.486 ( -0.857 1.688 0.206) 1.905 12.545 ( -0.159 -0.075 -0.122) 0.214 13.432 ( -0.159 3.224 -0.383) 3.251 13.691 ( 0.278 -3.421 0.182) 3.437 15.891 ( 0.433 4.567 -0.262) 4.595 16.072 ( 0.530 -1.796 0.449) 1.926 16.645 ( 0.206 0.372 0.130) 0.445 16.669 ( 0.008 -0.443 -0.163) 0.473 16.776 ( 0.299 -0.620 0.146) 0.703 16.899 ( -0.643 -2.764 0.174) 2.844 17.007 ( -0.238 2.330 -0.408) 2.377 17.054 ( -0.046 0.675 0.067) 0.680 17.753 ( -0.435 2.067 0.444) 2.159 17.802 ( -0.192 0.082 -0.016) 0.209 17.926 ( -0.144 1.342 -0.295) 1.381 18.047 ( 0.319 -1.736 0.388) 1.807 24.726 ( -0.333 2.351 -0.474) 2.421 25.000 ( -0.066 -7.122 0.728) 7.160 25.221 ( -0.112 6.344 -0.668) 6.380 25.430 ( -0.420 0.561 -0.009) 0.701 28.275 ( -0.022 1.278 0.050) 1.279 28.315 ( 0.474 -0.052 -0.279) 0.553 28.445 ( -0.067 0.349 -0.086) 0.365 28.454 ( -0.445 0.368 0.555) 0.801 28.703 ( -0.206 2.583 0.019) 2.591 28.861 ( -0.227 -2.144 -0.052) 2.157 30.802 ( 0.478 4.237 -0.587) 4.304 30.964 ( 0.708 0.228 0.276) 0.794 32.920 ( -0.508 1.394 0.613) 1.606 33.065 ( -1.974 -3.017 1.180) 3.794 33.867 ( -1.431 0.550 0.986) 1.823 33.939 ( -4.510 -2.335 -1.981) 5.451 35.915 ( 0.840 4.052 -0.927) 4.240 36.165 ( 1.587 -4.240 -0.061) 4.528 36.726 ( 4.775 4.883 -0.452) 6.845 36.779 ( -2.228 3.774 1.833) 4.750 39.616 ( 1.205 0.511 0.125) 1.315 40.165 ( 0.689 -15.354 -0.365) 15.374 40.748 ( 0.512 4.892 -0.637) 4.960 41.041 ( 0.267 -3.634 0.283) 3.655 76.534 ( 0.329 3.410 -0.398) 3.449 76.732 ( -0.687 -2.719 0.973) 2.968 79.632 ( -0.410 13.628 -0.197) 13.636 80.143 ( -2.583 -2.649 -1.749) 4.092 ======================= Grid point 33 (19/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 21.475 0.000) 21.475 1.543 ( 0.000 23.612 0.000) 23.612 1.771 ( 0.000 -15.328 0.000) 15.328 1.887 ( 0.000 13.055 0.000) 13.055 1.961 ( 0.000 -15.979 0.000) 15.979 2.085 ( 0.000 -3.999 0.000) 3.999 2.345 ( 0.000 -0.459 0.000) 0.459 2.385 ( 0.000 -4.552 0.000) 4.552 2.890 ( 0.000 -0.554 0.000) 0.554 2.946 ( 0.000 -5.261 0.000) 5.261 2.996 ( 0.000 2.545 0.000) 2.545 3.047 ( 0.000 -2.800 0.000) 2.800 3.228 ( 0.000 1.238 0.000) 1.238 3.232 ( 0.000 0.961 0.000) 0.961 3.811 ( 0.000 6.168 0.000) 6.168 3.976 ( 0.000 -9.756 0.000) 9.756 4.062 ( 0.000 4.854 0.000) 4.854 4.173 ( 0.000 -7.494 0.000) 7.494 4.267 ( 0.000 9.920 0.000) 9.920 4.414 ( 0.000 -5.758 0.000) 5.758 4.510 ( 0.000 13.962 0.000) 13.962 4.786 ( 0.000 -14.463 0.000) 14.463 4.845 ( 0.000 4.453 0.000) 4.453 4.892 ( 0.000 -0.156 0.000) 0.156 5.042 ( 0.000 4.148 0.000) 4.148 5.121 ( 0.000 -4.179 0.000) 4.179 5.565 ( 0.000 4.470 0.000) 4.470 5.640 ( 0.000 -3.486 0.000) 3.486 5.696 ( 0.000 1.495 0.000) 1.495 5.756 ( 0.000 -4.287 0.000) 4.287 6.328 ( 0.000 2.756 0.000) 2.756 6.362 ( 0.000 -0.655 0.000) 0.655 6.704 ( 0.000 3.524 0.000) 3.524 6.781 ( 0.000 -4.772 0.000) 4.772 7.960 ( 0.000 -0.486 0.000) 0.486 7.973 ( 0.000 -1.933 0.000) 1.933 12.261 ( 0.000 1.850 0.000) 1.850 12.290 ( 0.000 -1.120 0.000) 1.120 12.337 ( 0.000 2.090 0.000) 2.090 12.377 ( 0.000 -2.222 0.000) 2.222 12.560 ( 0.000 1.916 0.000) 1.916 12.587 ( 0.000 -1.041 0.000) 1.041 13.567 ( 0.000 4.429 0.000) 4.429 13.661 ( 0.000 -5.417 0.000) 5.417 15.870 ( 0.000 2.567 0.000) 2.567 15.917 ( 0.000 -2.500 0.000) 2.500 16.628 ( 0.000 1.183 0.000) 1.183 16.646 ( 0.000 -0.759 0.000) 0.759 16.874 ( 0.000 1.189 0.000) 1.189 16.897 ( 0.000 -1.140 0.000) 1.140 17.082 ( 0.000 0.670 0.000) 0.670 17.091 ( 0.000 -0.187 0.000) 0.187 17.804 ( 0.000 2.750 0.000) 2.750 17.855 ( 0.000 -2.621 0.000) 2.621 17.952 ( 0.000 0.348 0.000) 0.348 17.958 ( 0.000 -0.312 0.000) 0.312 24.888 ( 0.000 1.460 0.000) 1.460 24.928 ( 0.000 -2.772 0.000) 2.772 25.589 ( 0.000 2.476 0.000) 2.476 25.623 ( 0.000 -1.133 0.000) 1.133 28.266 ( 0.000 0.329 0.000) 0.329 28.272 ( 0.000 -0.383 0.000) 0.383 28.424 ( 0.000 0.166 0.000) 0.166 28.424 ( 0.000 0.142 0.000) 0.142 28.787 ( 0.000 4.406 0.000) 4.406 28.876 ( 0.000 -4.875 0.000) 4.875 30.759 ( 0.000 5.048 0.000) 5.048 30.847 ( 0.000 -4.205 0.000) 4.205 33.053 ( 0.000 6.009 0.000) 6.009 33.153 ( 0.000 -4.457 0.000) 4.457 34.787 ( 0.000 12.290 0.000) 12.290 35.038 ( 0.000 -14.066 0.000) 14.066 35.728 ( 0.000 2.611 0.000) 2.611 35.785 ( 0.000 -3.156 0.000) 3.156 36.418 ( 0.000 6.690 0.000) 6.690 36.529 ( 0.000 -5.063 0.000) 5.063 39.385 ( 0.000 3.394 0.000) 3.394 39.449 ( 0.000 -3.276 0.000) 3.276 40.765 ( 0.000 4.116 0.000) 4.116 40.837 ( 0.000 -3.410 0.000) 3.410 76.620 ( 0.000 3.407 0.000) 3.407 76.687 ( 0.000 -3.597 0.000) 3.597 80.834 ( 0.000 18.646 0.000) 18.646 81.161 ( 0.000 -15.607 0.000) 15.607 ======================= Grid point 34 (20/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.821 24.108 -5.491) 25.401 1.484 ( 6.742 18.198 -0.253) 19.408 1.794 ( -2.177 -14.626 4.292) 15.397 1.860 ( -1.199 -20.104 -4.204) 20.574 2.047 ( 7.880 13.212 9.540) 18.101 2.193 ( 6.048 -4.391 3.239) 8.145 2.345 ( 2.090 4.437 0.623) 4.944 2.471 ( 5.956 -7.566 2.763) 10.018 2.856 ( -1.844 2.405 -4.183) 5.165 2.928 ( 0.846 -3.258 -7.011) 7.777 2.986 ( -2.383 0.937 -0.405) 2.593 3.031 ( 1.314 -2.900 -0.237) 3.193 3.265 ( 3.829 1.838 1.012) 4.366 3.287 ( 3.521 -0.441 0.813) 3.641 3.806 ( -0.072 5.259 -0.265) 5.267 3.950 ( -3.163 -7.885 3.437) 9.165 4.083 ( -0.125 2.230 0.852) 2.391 4.143 ( -4.740 -1.839 1.048) 5.191 4.204 ( -2.788 8.923 -3.494) 9.980 4.379 ( -2.561 -7.140 -2.675) 8.043 4.501 ( -0.994 10.874 0.413) 10.927 4.717 ( -6.359 -9.657 3.421) 12.058 4.879 ( 4.596 2.866 -6.829) 8.716 4.913 ( 4.896 0.001 -6.082) 7.808 5.127 ( 5.987 2.251 4.566) 7.858 5.198 ( 4.978 -5.490 6.146) 9.628 5.559 ( -1.588 3.921 1.667) 4.547 5.627 ( -2.424 -2.960 1.714) 4.192 5.696 ( -0.145 1.453 1.497) 2.092 5.756 ( -0.692 -4.156 2.389) 4.844 6.211 ( -9.371 5.300 -3.355) 11.276 6.293 ( -7.784 -3.522 0.295) 8.549 6.731 ( 3.186 3.746 -2.021) 5.317 6.813 ( 3.106 -4.887 -1.510) 5.984 7.916 ( -4.035 0.010 -1.309) 4.242 7.938 ( -4.079 -2.129 1.020) 4.713 12.258 ( -0.474 1.568 -0.015) 1.638 12.283 ( -0.876 -0.960 0.072) 1.302 12.332 ( -0.341 2.493 -0.097) 2.518 12.379 ( 0.201 -2.412 -0.005) 2.421 12.559 ( -0.328 1.747 0.605) 1.878 12.585 ( -0.381 -0.952 0.163) 1.039 13.562 ( -0.308 4.367 -0.645) 4.425 13.652 ( -0.669 -4.967 -0.660) 5.055 15.877 ( 0.831 2.603 -0.103) 2.735 15.924 ( 0.654 -2.456 0.334) 2.563 16.626 ( -0.041 1.231 -0.131) 1.239 16.647 ( 0.149 -0.935 -0.140) 0.957 16.860 ( -1.024 2.003 -1.013) 2.467 16.895 ( -0.162 -1.725 -0.167) 1.740 17.078 ( -0.434 0.965 0.145) 1.068 17.091 ( 0.270 -0.323 -0.728) 0.841 17.805 ( -0.287 2.468 1.018) 2.685 17.850 ( -0.654 -2.213 0.336) 2.332 17.952 ( 0.318 0.295 -0.618) 0.755 17.958 ( 0.169 -0.263 -0.159) 0.350 24.879 ( -0.825 1.808 -0.526) 2.056 24.924 ( -0.522 -3.040 0.292) 3.098 25.554 ( -3.318 2.922 -1.505) 4.670 25.586 ( -2.552 -0.406 -1.678) 3.081 28.268 ( 0.302 0.339 0.019) 0.455 28.274 ( 0.137 -0.267 0.154) 0.338 28.433 ( 0.680 0.265 0.416) 0.840 28.437 ( 0.575 -0.183 1.507) 1.623 28.784 ( -0.243 4.198 -0.232) 4.212 28.869 ( -0.573 -4.647 -0.515) 4.710 30.773 ( 2.068 4.836 -1.308) 5.420 30.854 ( 1.653 -3.478 -2.287) 4.479 33.061 ( -1.447 5.588 4.972) 7.618 33.155 ( -1.377 -4.278 3.579) 5.745 34.676 ( -10.112 9.916 -3.266) 14.535 34.863 ( -14.019 -9.336 -6.035) 17.892 35.776 ( 3.020 1.309 2.028) 3.866 35.821 ( 2.269 -3.242 3.370) 5.198 36.436 ( 1.913 8.084 0.970) 8.364 36.570 ( 3.022 -5.964 2.248) 7.054 39.413 ( 3.492 5.177 -0.436) 6.260 39.529 ( 7.993 -7.376 -1.364) 10.962 40.774 ( 1.312 4.425 -0.823) 4.688 40.852 ( 1.676 -3.709 -0.256) 4.078 76.616 ( -0.526 3.668 0.151) 3.709 76.686 ( -0.290 -3.761 0.588) 3.817 80.702 ( -12.331 18.887 -3.423) 22.815 81.002 ( -11.773 -12.351 -9.727) 19.641 ======================= Grid point 35 (21/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 3.047 19.379 1.878) 19.706 1.635 ( 10.141 7.414 -2.537) 12.816 1.759 ( -0.789 -12.243 6.154) 13.726 1.918 ( 5.829 -12.407 -0.895) 13.737 2.213 ( 3.677 4.130 4.510) 7.136 2.287 ( 2.957 -2.660 2.697) 4.805 2.464 ( 8.609 6.399 2.469) 11.008 2.598 ( 5.407 -5.119 2.663) 7.908 2.783 ( -2.720 1.979 -4.967) 5.999 2.843 ( -3.481 -3.121 -5.833) 7.475 2.998 ( 3.716 4.669 -0.127) 5.968 3.076 ( 3.328 -3.260 0.508) 4.686 3.329 ( 2.514 0.873 -1.174) 2.909 3.340 ( 2.402 -0.502 -1.860) 3.079 3.827 ( 2.574 3.758 0.837) 4.631 3.938 ( -2.559 -5.728 2.651) 6.811 3.956 ( -8.329 9.023 -1.491) 12.369 4.072 ( -4.711 -1.949 1.022) 5.199 4.188 ( -0.088 2.884 0.197) 2.893 4.311 ( -1.503 -7.485 -2.142) 7.929 4.477 ( -2.232 7.632 0.350) 7.959 4.637 ( -4.275 -7.815 1.309) 9.003 4.906 ( 3.181 4.061 -5.873) 7.816 4.954 ( 4.312 -0.204 -6.817) 8.069 5.267 ( 4.386 1.865 4.946) 6.868 5.329 ( 3.544 -4.749 5.436) 8.041 5.521 ( -4.984 1.687 3.304) 6.213 5.582 ( -4.001 -3.692 2.445) 5.968 5.720 ( 1.638 2.200 1.444) 3.100 5.775 ( 1.107 -3.016 2.194) 3.891 6.005 ( -9.769 6.016 -2.471) 11.736 6.119 ( -10.244 -5.883 -1.249) 11.879 6.769 ( 2.691 3.293 -2.779) 5.080 6.843 ( 1.309 -4.436 -1.944) 5.017 7.816 ( -5.610 1.172 -1.106) 5.837 7.855 ( -5.517 -2.623 0.706) 6.150 12.239 ( -1.595 1.193 0.107) 1.994 12.261 ( -1.545 -0.987 0.023) 1.833 12.329 ( 0.225 3.135 -0.236) 3.152 12.384 ( 0.446 -2.589 -0.057) 2.627 12.555 ( -0.702 1.447 0.750) 1.775 12.576 ( -0.716 -0.751 0.154) 1.049 13.548 ( -0.509 4.303 -1.015) 4.450 13.632 ( -0.754 -4.319 -0.833) 4.463 15.897 ( 1.446 2.742 -0.073) 3.101 15.945 ( 1.237 -2.377 0.641) 2.755 16.627 ( 0.287 1.185 -0.070) 1.221 16.650 ( 0.340 -1.203 -0.113) 1.255 16.831 ( -1.144 3.201 -1.117) 3.578 16.888 ( -0.476 -2.761 -0.231) 2.811 17.070 ( -0.482 1.297 -0.157) 1.393 17.087 ( -0.122 -0.436 -0.763) 0.887 17.806 ( -0.669 1.975 1.656) 2.663 17.838 ( -0.957 -1.248 0.526) 1.658 17.954 ( 0.473 0.404 -0.819) 1.029 17.964 ( 0.615 -0.650 0.026) 0.896 24.854 ( -1.293 2.589 -0.804) 3.004 24.914 ( -0.893 -3.711 0.367) 3.834 25.469 ( -3.893 4.849 -2.282) 6.624 25.525 ( -2.888 -1.168 -1.307) 3.379 28.277 ( 0.736 0.299 -0.162) 0.810 28.280 ( 0.377 0.048 0.165) 0.415 28.448 ( 0.427 0.414 0.651) 0.881 28.457 ( 0.036 -0.480 1.910) 1.970 28.776 ( -0.378 3.688 -0.317) 3.721 28.851 ( -0.854 -4.074 -0.721) 4.224 30.809 ( 3.066 4.281 -1.840) 5.578 30.873 ( 2.340 -2.116 -2.319) 3.916 33.060 ( -3.408 4.969 6.188) 8.637 33.146 ( -3.365 -4.026 5.073) 7.299 34.424 ( -13.880 6.561 -3.664) 15.784 34.543 ( -15.835 -5.734 -5.030) 17.576 35.844 ( 3.724 1.697 0.101) 4.093 35.893 ( 3.568 -3.557 1.444) 5.241 36.505 ( 4.349 9.091 2.341) 10.346 36.650 ( 3.353 -5.924 3.418) 7.617 39.493 ( 5.404 6.979 -0.650) 8.850 39.670 ( 8.231 -12.132 -1.686) 14.757 40.797 ( 1.921 5.006 -1.248) 5.505 40.886 ( 2.150 -4.327 -0.234) 4.838 76.607 ( -0.567 4.141 0.294) 4.190 76.685 ( -0.549 -4.047 1.121) 4.235 80.405 ( -15.292 19.451 -5.337) 25.312 80.682 ( -14.109 -9.757 -10.441) 20.082 ======================= Grid point 36 (22/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.325 13.884 6.809) 19.775 1.818 ( 11.634 -10.697 2.647) 16.025 1.872 ( 7.361 3.677 2.855) 8.710 2.017 ( 6.862 -7.484 -3.701) 10.808 2.268 ( 1.944 1.349 -0.134) 2.370 2.348 ( 1.319 -5.269 2.078) 5.815 2.603 ( 3.390 4.914 0.393) 5.983 2.678 ( -5.328 0.400 -2.149) 5.760 2.710 ( 4.575 0.975 4.061) 6.194 2.761 ( -1.080 -2.430 -3.105) 4.088 3.080 ( 4.051 5.313 -0.167) 6.683 3.161 ( 4.771 -2.707 2.298) 5.947 3.334 ( -0.537 0.506 -3.177) 3.262 3.353 ( 1.692 -1.788 -2.323) 3.385 3.763 ( -7.908 11.533 -1.453) 14.059 3.895 ( 2.971 0.456 0.907) 3.139 3.952 ( -1.107 -2.710 -1.348) 3.223 4.007 ( -1.677 -9.111 1.828) 9.442 4.174 ( 0.037 6.442 1.276) 6.567 4.323 ( 1.893 -8.798 0.846) 9.039 4.433 ( -2.134 8.349 -0.116) 8.618 4.578 ( -3.085 -6.512 -0.171) 7.208 4.890 ( -2.020 4.043 -2.268) 5.057 4.955 ( -0.148 -2.043 -3.836) 4.349 5.308 ( -1.939 4.415 1.008) 4.927 5.385 ( -2.483 -3.642 2.849) 5.248 5.433 ( -5.091 3.196 1.780) 6.269 5.515 ( -4.507 -5.167 0.197) 6.859 5.761 ( 1.395 3.534 -0.307) 3.811 5.822 ( 2.113 -1.887 0.686) 2.915 5.878 ( -3.060 1.239 0.588) 3.353 5.959 ( -5.261 -6.278 0.558) 8.210 6.785 ( 1.197 1.991 -2.186) 3.190 6.833 ( -0.872 -2.935 -1.183) 3.283 7.716 ( -4.446 2.079 -1.035) 5.016 7.764 ( -4.945 -2.677 0.509) 5.646 12.207 ( -1.953 1.060 0.182) 2.229 12.230 ( -1.844 -1.253 -0.023) 2.229 12.336 ( 0.665 3.423 -0.321) 3.502 12.394 ( 0.674 -2.638 -0.059) 2.723 12.545 ( -0.974 1.260 0.555) 1.687 12.562 ( -0.872 -0.574 0.017) 1.044 13.531 ( -0.519 4.418 -0.994) 4.558 13.616 ( -0.425 -4.288 -0.581) 4.348 15.925 ( 1.668 3.052 0.028) 3.478 15.976 ( 1.592 -2.378 0.817) 2.976 16.635 ( 0.526 0.968 0.121) 1.108 16.656 ( 0.357 -1.225 -0.056) 1.277 16.807 ( -0.754 3.544 -0.672) 3.685 16.875 ( -0.844 -3.449 -0.164) 3.554 17.060 ( -0.435 1.321 -0.368) 1.438 17.076 ( -0.502 -0.358 -0.599) 0.859 17.803 ( -1.032 1.633 1.674) 2.557 17.824 ( -1.030 -0.521 0.590) 1.296 17.957 ( 0.437 0.903 -0.753) 1.255 17.979 ( 0.867 -1.388 0.236) 1.654 24.824 ( -1.256 3.322 -0.830) 3.647 24.899 ( -0.973 -4.539 0.340) 4.655 25.396 ( -2.556 5.606 -1.651) 6.378 25.469 ( -2.421 -2.096 -0.803) 3.302 28.288 ( 0.515 0.491 -0.196) 0.739 28.292 ( 0.858 0.074 -0.191) 0.882 28.455 ( -0.121 0.448 0.637) 0.788 28.464 ( -0.637 -0.395 1.668) 1.828 28.767 ( -0.349 3.214 -0.284) 3.245 28.831 ( -0.705 -3.458 -0.583) 3.577 30.849 ( 2.540 3.907 -1.652) 4.944 30.902 ( 2.153 -1.452 -1.020) 2.790 33.029 ( -4.267 4.280 4.630) 7.614 33.107 ( -4.764 -3.845 4.417) 7.549 34.164 ( -12.030 4.321 -2.543) 13.033 34.249 ( -13.320 -4.668 -3.466) 14.533 35.910 ( 4.189 2.627 -1.667) 5.219 35.968 ( 4.485 -3.595 -0.707) 5.792 36.615 ( 5.384 7.811 3.039) 9.961 36.732 ( 2.796 -4.124 3.517) 6.099 39.582 ( 4.776 7.597 -0.529) 8.989 39.784 ( 5.599 -13.797 -1.287) 14.945 40.821 ( 1.684 5.435 -1.132) 5.801 40.920 ( 1.639 -4.884 -0.021) 5.152 76.601 ( -0.252 4.339 0.321) 4.358 76.682 ( -0.759 -4.094 1.396) 4.392 80.130 ( -10.937 17.529 -4.331) 21.110 80.381 ( -11.854 -9.040 -7.245) 16.575 ======================= Grid point 37 (23/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 13.510 12.449 6.590) 19.518 2.011 ( 7.400 3.040 -1.971) 8.239 2.070 ( 12.238 -4.815 -0.520) 13.161 2.118 ( 8.299 -8.864 -1.906) 12.291 2.290 ( 1.013 1.671 -1.088) 2.236 2.369 ( -0.447 -4.624 2.520) 5.285 2.548 ( -4.530 2.340 -1.613) 5.348 2.600 ( -3.039 -2.946 -1.612) 4.529 2.784 ( 1.270 2.276 4.488) 5.190 2.815 ( 2.624 -1.060 4.833) 5.600 3.115 ( 0.095 7.629 -0.389) 7.640 3.243 ( 1.008 -4.986 0.232) 5.092 3.285 ( -0.565 3.051 -1.603) 3.493 3.365 ( 1.253 -5.063 -1.584) 5.451 3.663 ( -2.574 12.762 -1.588) 13.115 3.897 ( -0.223 -11.396 -2.149) 11.599 3.946 ( 0.704 3.807 1.198) 4.052 4.042 ( 3.332 -6.285 0.669) 7.145 4.211 ( 1.508 6.861 1.029) 7.100 4.350 ( 0.599 -4.992 0.659) 5.070 4.422 ( 1.179 3.664 -1.229) 4.041 4.526 ( -1.523 -5.349 -1.273) 5.705 4.806 ( -6.649 4.127 1.479) 7.964 4.891 ( -5.457 -4.052 1.033) 6.875 5.236 ( -5.157 5.540 -1.996) 7.828 5.299 ( -4.677 0.897 2.644) 5.446 5.381 ( -3.338 -1.926 -0.648) 3.908 5.443 ( -2.379 -6.181 -2.624) 7.124 5.757 ( -0.125 4.372 -1.327) 4.570 5.822 ( -0.225 -2.645 -1.685) 3.144 5.896 ( 2.546 1.776 1.651) 3.517 5.957 ( 0.925 -5.418 2.507) 6.041 6.781 ( -0.305 1.073 -1.047) 1.530 6.807 ( -1.098 -1.526 -0.010) 1.880 7.647 ( -2.339 2.427 -0.993) 3.514 7.692 ( -3.340 -2.125 0.435) 3.983 12.177 ( -1.441 0.839 0.173) 1.677 12.199 ( -1.493 -1.387 -0.050) 2.038 12.346 ( 0.626 3.536 -0.264) 3.601 12.406 ( 0.625 -2.719 -0.070) 2.791 12.530 ( -0.911 1.295 0.318) 1.615 12.547 ( -0.659 -0.534 -0.044) 0.850 13.517 ( -0.361 4.689 -0.676) 4.751 13.609 ( -0.103 -4.770 -0.251) 4.777 15.954 ( 1.381 3.495 0.094) 3.759 16.009 ( 1.424 -2.480 0.719) 2.949 16.645 ( 0.417 0.642 0.212) 0.795 16.660 ( 0.116 -0.853 -0.104) 0.867 16.795 ( -0.283 2.873 -0.214) 2.895 16.857 ( -0.961 -3.432 -0.098) 3.565 17.049 ( -0.367 1.219 -0.441) 1.347 17.064 ( -0.459 -0.253 -0.280) 0.594 17.795 ( -1.037 1.414 1.136) 2.090 17.810 ( -0.889 -0.307 0.429) 1.034 17.959 ( 0.320 1.694 -0.505) 1.796 17.996 ( 0.733 -2.076 0.277) 2.219 24.800 ( -0.868 3.800 -0.623) 3.947 24.886 ( -0.729 -5.291 0.260) 5.347 25.353 ( -1.324 5.484 -0.896) 5.712 25.430 ( -1.520 -2.536 -0.376) 2.980 28.294 ( 0.324 0.822 -0.200) 0.906 28.304 ( 0.695 -0.240 -0.390) 0.832 28.455 ( -0.336 0.419 0.488) 0.726 28.461 ( -0.723 -0.186 1.159) 1.379 28.760 ( -0.218 3.026 -0.194) 3.040 28.818 ( -0.360 -3.040 -0.313) 3.077 30.874 ( 1.364 4.025 -0.971) 4.359 30.931 ( 1.400 -1.761 -0.155) 2.255 32.984 ( -3.298 3.237 2.490) 5.249 33.049 ( -4.262 -3.504 2.786) 6.181 33.973 ( -7.582 2.482 -1.195) 8.067 34.026 ( -8.910 -3.261 -2.420) 9.792 35.966 ( 3.331 3.762 -1.925) 5.381 36.039 ( 3.903 -4.006 -1.162) 5.713 36.727 ( 4.622 5.330 2.241) 7.403 36.796 ( 1.632 -1.620 2.840) 3.654 39.650 ( 3.031 7.465 -0.304) 8.063 39.853 ( 3.014 -13.806 -0.710) 14.149 40.839 ( 1.047 5.615 -0.705) 5.755 40.943 ( 0.876 -5.230 0.125) 5.304 76.602 ( 0.038 4.154 0.190) 4.159 76.678 ( -0.762 -3.804 1.202) 4.061 79.956 ( -5.902 14.081 -2.353) 15.448 80.165 ( -7.598 -7.955 -3.949) 11.688 ======================= Grid point 38 (24/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 2.742 11.619 0.502) 11.949 2.134 ( 7.182 5.066 -0.977) 8.843 2.174 ( 3.488 -3.224 -2.768) 5.498 2.272 ( 4.495 -8.104 0.431) 9.277 2.302 ( 1.897 4.651 -2.394) 5.565 2.369 ( -1.975 -1.903 2.944) 4.024 2.507 ( -0.103 -0.404 3.363) 3.389 2.547 ( -1.790 -3.890 -1.140) 4.432 2.823 ( -0.377 1.315 3.567) 3.821 2.847 ( -0.826 -1.021 0.368) 1.364 3.118 ( 0.735 2.444 1.598) 3.011 3.175 ( -3.143 -3.253 -2.943) 5.396 3.326 ( 1.797 1.685 0.803) 2.591 3.387 ( 1.331 -4.346 0.122) 4.547 3.624 ( -0.698 14.081 -1.366) 14.164 3.885 ( -0.052 -13.194 -1.323) 13.260 3.968 ( 0.694 5.710 0.662) 5.790 4.116 ( 3.635 -8.185 1.168) 9.032 4.205 ( -2.096 6.219 -0.666) 6.596 4.352 ( -0.815 -6.503 -0.060) 6.554 4.442 ( 2.140 4.859 -1.390) 5.488 4.533 ( 3.063 -4.400 -2.030) 5.732 4.696 ( -6.140 5.330 2.664) 8.556 4.806 ( -4.029 -4.965 1.686) 6.613 5.155 ( -2.330 6.550 -0.098) 6.953 5.262 ( -1.374 -2.696 1.354) 3.314 5.331 ( -1.054 -2.076 -1.069) 2.562 5.390 ( -1.238 -5.944 -2.071) 6.415 5.751 ( 0.195 4.912 -0.636) 4.957 5.819 ( 0.446 -2.513 -0.670) 2.639 5.940 ( 1.132 1.271 0.575) 1.797 5.980 ( 0.258 -3.656 0.784) 3.748 6.766 ( -0.538 1.661 -0.132) 1.751 6.797 ( -0.246 -1.600 0.140) 1.625 7.616 ( -0.623 2.407 -0.476) 2.531 7.653 ( -1.211 -1.497 0.225) 1.939 12.160 ( -0.513 0.611 0.078) 0.802 12.179 ( -0.577 -1.375 -0.031) 1.492 12.352 ( 0.244 3.558 -0.105) 3.568 12.413 ( 0.254 -2.847 -0.045) 2.859 12.520 ( -0.384 1.509 0.107) 1.561 12.539 ( -0.221 -0.601 -0.013) 0.641 13.509 ( -0.125 4.914 -0.234) 4.921 13.607 ( 0.005 -5.219 -0.055) 5.219 15.972 ( 0.549 3.838 0.053) 3.877 16.032 ( 0.585 -2.574 0.293) 2.656 16.652 ( 0.122 0.367 0.098) 0.399 16.660 ( 0.001 -0.522 -0.065) 0.526 16.791 ( -0.043 2.088 -0.028) 2.089 16.843 ( -0.436 -3.093 -0.027) 3.123 17.041 ( -0.192 1.322 -0.214) 1.353 17.057 ( -0.138 -0.363 -0.054) 0.392 17.786 ( -0.446 1.312 0.381) 1.437 17.801 ( -0.361 -0.337 0.149) 0.516 17.961 ( 0.122 2.266 -0.169) 2.275 18.007 ( 0.282 -2.464 0.122) 2.484 24.786 ( -0.308 4.036 -0.232) 4.054 24.878 ( -0.266 -5.746 0.101) 5.753 25.334 ( -0.404 5.275 -0.279) 5.297 25.410 ( -0.511 -2.675 -0.103) 2.725 28.296 ( 0.100 0.977 -0.089) 0.987 28.310 ( 0.248 -0.483 -0.205) 0.580 28.453 ( -0.152 0.400 0.199) 0.472 28.457 ( -0.296 -0.051 0.422) 0.517 28.757 ( -0.072 3.042 -0.070) 3.043 28.813 ( -0.094 -2.856 -0.090) 2.859 30.885 ( 0.398 4.199 -0.288) 4.228 30.947 ( 0.452 -2.193 0.027) 2.239 32.955 ( -1.176 2.307 0.727) 2.690 33.006 ( -1.750 -3.075 0.948) 3.663 33.880 ( -2.307 0.855 -0.016) 2.460 33.902 ( -3.348 -1.558 -1.218) 3.888 35.998 ( 1.260 4.570 -0.806) 4.808 36.083 ( 1.546 -4.488 -0.507) 4.774 36.802 ( 2.381 2.992 0.463) 3.852 36.826 ( -0.042 0.683 1.434) 1.589 39.685 ( 1.016 7.228 -0.096) 7.299 39.885 ( 0.934 -13.546 -0.217) 13.580 40.848 ( 0.346 5.645 -0.229) 5.660 40.954 ( 0.257 -5.377 0.075) 5.383 76.604 ( 0.071 3.874 0.044) 3.875 76.674 ( -0.343 -3.460 0.487) 3.511 79.878 ( -1.823 11.708 -0.702) 11.869 80.055 ( -2.593 -7.006 -1.226) 7.570 ======================= Grid point 77 (25/136) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -8.210 0.000 22.844) 24.274 0.520 ( 6.610 0.000 26.651) 27.458 0.884 ( 0.629 0.000 44.704) 44.708 1.992 ( 3.412 0.000 -8.658) 9.306 2.176 ( 3.979 0.000 1.627) 4.299 2.354 ( -1.556 0.000 -14.279) 14.364 2.461 ( -2.537 0.000 -2.654) 3.672 2.765 ( -0.667 0.000 1.833) 1.950 2.906 ( 0.683 0.000 -3.166) 3.239 2.941 ( 0.360 0.000 0.278) 0.455 3.035 ( -3.838 0.000 -0.938) 3.951 3.152 ( -5.759 0.000 1.851) 6.050 3.291 ( 5.076 0.000 -4.737) 6.944 3.464 ( -2.431 0.000 1.835) 3.046 3.475 ( 3.911 0.000 -9.758) 10.512 3.577 ( 2.261 0.000 -4.016) 4.609 4.015 ( -1.774 0.000 4.022) 4.395 4.127 ( -2.441 0.000 3.129) 3.969 4.146 ( 3.335 0.000 2.848) 4.386 4.407 ( -5.383 0.000 5.623) 7.784 4.587 ( -4.160 0.000 -4.327) 6.003 4.757 ( 2.306 0.000 0.756) 2.427 4.900 ( -2.523 0.000 4.640) 5.281 4.921 ( 8.939 0.000 -3.110) 9.465 5.078 ( -2.506 0.000 -2.617) 3.623 5.328 ( -0.563 0.000 -2.285) 2.353 5.520 ( -9.386 0.000 1.795) 9.556 5.584 ( 1.861 0.000 2.087) 2.796 5.688 ( 0.088 0.000 -0.427) 0.436 5.905 ( -2.915 0.000 -1.961) 3.513 6.284 ( -2.288 0.000 2.598) 3.462 6.542 ( 39.506 0.000 -2.820) 39.606 6.660 ( -2.933 0.000 3.561) 4.613 6.990 ( 2.988 0.000 -2.444) 3.860 7.856 ( 2.800 0.000 2.778) 3.945 8.240 ( -10.939 0.000 -3.082) 11.365 12.244 ( -0.049 0.000 0.007) 0.050 12.279 ( -0.321 0.000 -0.955) 1.007 12.363 ( -6.492 0.000 1.448) 6.652 12.411 ( 0.505 0.000 0.847) 0.986 12.470 ( 0.067 0.000 0.484) 0.489 12.602 ( -0.238 0.000 -1.023) 1.051 13.533 ( -8.270 0.000 -0.446) 8.282 13.541 ( 1.023 0.000 -0.478) 1.129 15.780 ( -2.087 0.000 1.987) 2.882 16.012 ( 1.771 0.000 -1.735) 2.480 16.571 ( -2.713 0.000 0.169) 2.718 16.626 ( 0.041 0.000 -0.518) 0.520 16.829 ( -0.151 0.000 -0.838) 0.851 16.837 ( 0.160 0.000 -0.973) 0.986 16.941 ( -0.038 0.000 1.463) 1.463 17.048 ( 0.889 0.000 -0.356) 0.958 17.818 ( -0.879 0.000 1.370) 1.628 17.921 ( 7.237 0.000 -0.895) 7.292 17.937 ( 0.077 0.000 0.242) 0.254 17.955 ( -0.319 0.000 0.589) 0.670 24.789 ( 1.310 0.000 0.847) 1.560 24.865 ( -2.033 0.000 -0.055) 2.033 25.167 ( -7.066 0.000 0.801) 7.111 25.386 ( 0.554 0.000 -2.371) 2.435 28.257 ( -0.537 0.000 0.612) 0.815 28.291 ( 0.509 0.000 0.216) 0.552 28.403 ( -0.297 0.000 -0.586) 0.657 28.500 ( 5.435 0.000 -3.928) 6.706 28.733 ( 2.034 0.000 5.408) 5.778 29.040 ( -0.009 0.000 -1.335) 1.335 30.621 ( 0.128 0.000 1.645) 1.650 30.875 ( -22.681 0.000 -2.529) 22.821 33.343 ( -1.989 0.000 8.013) 8.256 34.334 ( 3.161 0.000 -7.989) 8.592 34.613 ( -76.965 0.000 0.537) 76.967 34.669 ( 4.366 0.000 -0.024) 4.366 35.861 ( 0.320 0.000 1.573) 1.605 36.074 ( 1.874 0.000 -2.120) 2.830 36.190 ( -8.061 0.000 1.417) 8.184 36.344 ( 82.094 0.000 -1.250) 82.104 39.230 ( -0.221 0.000 2.930) 2.938 39.578 ( -26.698 0.000 -2.764) 26.840 40.630 ( -1.959 0.000 2.673) 3.314 40.914 ( 1.252 0.000 -1.912) 2.286 76.513 ( -2.441 0.000 1.374) 2.801 76.790 ( 4.349 0.000 -3.455) 5.554 78.897 ( -3.395 0.000 10.370) 10.912 80.127 ( -31.245 0.000 -9.365) 32.618 ======================= Grid point 78 (26/136) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 10.318 0.000 16.749) 19.672 0.941 ( 16.879 0.000 22.191) 27.881 1.431 ( 21.960 0.000 35.240) 41.523 2.038 ( 8.566 0.000 -9.256) 12.611 2.202 ( -1.508 0.000 -17.420) 17.485 2.283 ( 5.474 0.000 3.645) 6.577 2.425 ( 1.052 0.000 -6.380) 6.466 2.767 ( -1.993 0.000 0.422) 2.037 2.815 ( -5.384 0.000 -5.654) 7.808 2.944 ( -0.708 0.000 4.173) 4.233 2.947 ( -5.524 0.000 -3.673) 6.633 3.120 ( 0.381 0.000 -2.298) 2.330 3.281 ( -0.002 0.000 -6.342) 6.342 3.443 ( 0.802 0.000 0.722) 1.079 3.486 ( 0.808 0.000 -0.413) 0.907 3.631 ( 6.629 0.000 -3.443) 7.469 4.001 ( -1.633 0.000 3.183) 3.577 4.130 ( 0.840 0.000 2.521) 2.658 4.275 ( 5.218 0.000 7.548) 9.176 4.347 ( -9.399 0.000 -2.590) 9.750 4.478 ( 1.412 0.000 -2.525) 2.893 4.832 ( 4.265 0.000 4.131) 5.938 4.860 ( -3.411 0.000 0.047) 3.412 5.017 ( -1.868 0.000 -1.465) 2.374 5.099 ( 6.582 0.000 -6.076) 8.958 5.230 ( -6.610 0.000 2.442) 7.046 5.518 ( 1.303 0.000 4.603) 4.784 5.623 ( -0.675 0.000 1.774) 1.898 5.713 ( 3.094 0.000 0.653) 3.162 5.825 ( -2.781 0.000 -4.844) 5.585 6.210 ( -6.451 0.000 -0.158) 6.453 6.577 ( -2.178 0.000 -0.896) 2.355 6.936 ( 10.154 0.000 -15.653) 18.658 7.002 ( -0.518 0.000 -0.342) 0.621 7.911 ( -0.261 0.000 5.375) 5.381 7.990 ( -12.823 0.000 0.395) 12.829 12.218 ( -4.148 0.000 1.668) 4.471 12.236 ( -0.877 0.000 0.022) 0.877 12.319 ( -1.344 0.000 2.452) 2.796 12.427 ( 0.401 0.000 0.830) 0.922 12.477 ( 0.151 0.000 1.222) 1.231 12.587 ( -0.386 0.000 -1.545) 1.592 13.443 ( -2.796 0.000 0.938) 2.949 13.568 ( 2.016 0.000 0.305) 2.039 15.756 ( -1.402 0.000 0.812) 1.620 16.031 ( 1.424 0.000 -0.878) 1.673 16.578 ( 1.551 0.000 -0.353) 1.591 16.631 ( 0.822 0.000 -0.488) 0.956 16.837 ( 1.577 0.000 -1.023) 1.879 16.840 ( 0.924 0.000 -0.954) 1.328 16.952 ( 0.289 0.000 1.202) 1.237 17.058 ( 0.316 0.000 -0.032) 0.318 17.807 ( -1.072 0.000 0.694) 1.277 17.896 ( -5.253 0.000 1.699) 5.521 17.944 ( 0.224 0.000 0.477) 0.527 17.983 ( 2.388 0.000 -0.262) 2.402 24.820 ( -2.164 0.000 -1.357) 2.554 24.837 ( 2.695 0.000 2.078) 3.403 25.152 ( 1.861 0.000 1.218) 2.224 25.373 ( 0.025 0.000 -2.519) 2.519 28.251 ( -0.379 0.000 0.215) 0.436 28.292 ( -0.762 0.000 0.742) 1.063 28.405 ( 1.039 0.000 -1.139) 1.541 28.505 ( 0.173 0.000 -3.682) 3.686 28.777 ( -1.760 0.000 5.677) 5.943 29.014 ( -1.419 0.000 -1.816) 2.305 30.633 ( -6.429 0.000 5.586) 8.516 30.664 ( 2.780 0.000 2.578) 3.792 33.306 ( -11.644 0.000 10.441) 15.639 33.654 ( -34.842 0.000 28.837) 45.228 34.259 ( -4.058 0.000 -7.964) 8.939 34.750 ( 1.154 0.000 3.481) 3.667 35.908 ( 3.344 0.000 2.073) 3.934 35.971 ( -9.456 0.000 -2.886) 9.887 36.149 ( 3.954 0.000 -3.884) 5.543 36.753 ( -1.139 0.000 -1.123) 1.599 39.292 ( 3.896 0.000 4.422) 5.894 39.821 ( 30.814 0.000 -23.010) 38.457 40.651 ( 0.846 0.000 2.769) 2.896 40.942 ( 3.020 0.000 -1.178) 3.242 76.481 ( -1.869 0.000 -0.023) 1.869 76.838 ( 2.802 0.000 -1.134) 3.023 78.959 ( 1.215 0.000 11.740) 11.803 80.078 ( 15.811 0.000 -19.394) 25.023 ======================= Grid point 79 (27/136) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 15.868 0.000 10.436) 18.993 1.372 ( 14.165 0.000 16.931) 22.076 2.046 ( 10.482 0.000 4.937) 11.587 2.121 ( 18.216 0.000 1.597) 18.286 2.124 ( 8.037 0.000 -15.945) 17.856 2.335 ( -3.185 0.000 -9.847) 10.349 2.411 ( 4.310 0.000 6.110) 7.477 2.709 ( -3.572 0.000 0.647) 3.630 2.736 ( 0.857 0.000 -4.596) 4.675 2.808 ( -5.653 0.000 0.414) 5.668 2.956 ( -3.006 0.000 4.710) 5.588 3.128 ( 3.998 0.000 -3.005) 5.001 3.235 ( -1.439 0.000 -3.054) 3.375 3.475 ( -2.766 0.000 2.776) 3.919 3.508 ( 4.780 0.000 1.285) 4.950 3.746 ( 7.582 0.000 -3.477) 8.342 4.005 ( 0.005 0.000 2.217) 2.217 4.063 ( -14.898 0.000 -4.643) 15.605 4.192 ( 3.393 0.000 1.891) 3.884 4.404 ( 3.405 0.000 6.634) 7.457 4.574 ( 7.306 0.000 -0.909) 7.362 4.793 ( -2.202 0.000 -4.123) 4.674 4.948 ( -0.110 0.000 6.706) 6.707 5.000 ( 0.716 0.000 0.390) 0.815 5.021 ( -4.216 0.000 -2.885) 5.109 5.178 ( -4.802 0.000 4.082) 6.302 5.560 ( -1.202 0.000 4.260) 4.427 5.594 ( -2.433 0.000 -0.706) 2.533 5.750 ( -1.527 0.000 -4.238) 4.504 5.775 ( 2.301 0.000 1.172) 2.583 6.078 ( -6.238 0.000 -2.942) 6.897 6.555 ( 3.196 0.000 -8.590) 9.165 6.867 ( -4.817 0.000 -8.446) 9.723 6.966 ( -3.937 0.000 1.480) 4.206 7.789 ( -8.997 0.000 -3.161) 9.536 7.917 ( -3.739 0.000 6.122) 7.173 12.177 ( -1.563 0.000 0.392) 1.611 12.216 ( -1.265 0.000 -0.035) 1.265 12.315 ( -1.128 0.000 2.382) 2.636 12.435 ( -0.037 0.000 0.595) 0.596 12.493 ( 0.304 0.000 1.832) 1.857 12.566 ( -0.459 0.000 -1.843) 1.899 13.413 ( -1.368 0.000 0.166) 1.378 13.616 ( 2.738 0.000 0.910) 2.885 15.745 ( -0.124 0.000 -0.083) 0.149 16.052 ( 1.431 0.000 -0.292) 1.460 16.599 ( 0.992 0.000 0.011) 0.993 16.646 ( 1.075 0.000 -0.289) 1.113 16.854 ( 1.222 0.000 -0.828) 1.476 16.860 ( 1.455 0.000 -0.804) 1.663 16.970 ( 0.718 0.000 0.955) 1.195 17.054 ( -0.801 0.000 -0.078) 0.805 17.794 ( -0.537 0.000 -0.064) 0.540 17.824 ( -4.236 0.000 1.967) 4.670 17.946 ( -0.461 0.000 0.265) 0.532 18.021 ( 1.873 0.000 0.130) 1.878 24.771 ( -2.060 0.000 -1.571) 2.591 24.909 ( 3.254 0.000 2.614) 4.174 25.200 ( 2.496 0.000 0.368) 2.523 25.351 ( -0.528 0.000 -2.412) 2.470 28.249 ( 0.237 0.000 -0.269) 0.359 28.280 ( -1.120 0.000 0.924) 1.452 28.416 ( 1.136 0.000 -1.549) 1.921 28.483 ( -0.180 0.000 -1.848) 1.856 28.769 ( -3.331 0.000 5.390) 6.336 28.970 ( -1.735 0.000 -1.936) 2.600 30.626 ( 0.616 0.000 2.875) 2.940 30.750 ( 4.197 0.000 3.352) 5.372 33.133 ( -13.727 0.000 12.845) 18.800 33.482 ( -11.049 0.000 17.054) 20.321 34.107 ( -6.083 0.000 -7.272) 9.480 34.685 ( -11.092 0.000 0.872) 11.126 35.816 ( -3.368 0.000 -4.463) 5.591 36.004 ( 5.525 0.000 1.992) 5.873 36.222 ( 7.167 0.000 -3.592) 8.017 36.712 ( -2.419 0.000 1.861) 3.052 39.419 ( 5.572 0.000 5.974) 8.169 40.089 ( 18.749 0.000 -21.916) 28.841 40.685 ( 0.083 0.000 3.998) 3.999 40.998 ( 3.506 0.000 0.019) 3.506 76.450 ( -1.004 0.000 -0.980) 1.403 76.871 ( 0.821 0.000 0.948) 1.254 79.094 ( 3.335 0.000 12.686) 13.117 80.158 ( 9.096 0.000 -20.544) 22.468 ======================= Grid point 80 (28/136) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 15.543 0.000 5.826) 16.599 1.634 ( 3.575 0.000 5.250) 6.352 2.004 ( -0.400 0.000 -16.499) 16.504 2.057 ( 7.633 0.000 -13.405) 15.426 2.334 ( 5.950 0.000 -8.666) 10.512 2.495 ( -0.881 0.000 8.139) 8.187 2.661 ( -4.137 0.000 2.901) 5.053 2.662 ( 21.416 0.000 10.301) 23.765 2.683 ( -0.494 0.000 2.864) 2.907 2.848 ( 3.571 0.000 2.655) 4.450 2.912 ( -2.986 0.000 1.956) 3.570 3.186 ( -1.880 0.000 -1.381) 2.333 3.237 ( 8.477 0.000 1.880) 8.683 3.448 ( -1.925 0.000 1.924) 2.721 3.601 ( 3.808 0.000 1.468) 4.081 3.656 ( -10.886 0.000 -9.201) 14.253 3.984 ( 6.037 0.000 4.291) 7.407 4.039 ( 2.687 0.000 0.821) 2.810 4.255 ( 1.419 0.000 1.951) 2.413 4.504 ( 2.769 0.000 6.110) 6.708 4.639 ( -1.083 0.000 -3.458) 3.624 4.751 ( 2.258 0.000 -2.569) 3.420 4.761 ( -13.058 0.000 -3.637) 13.555 5.062 ( 5.788 0.000 0.356) 5.799 5.063 ( -5.665 0.000 6.166) 8.373 5.132 ( 1.125 0.000 3.579) 3.752 5.508 ( -8.102 0.000 5.278) 9.669 5.546 ( -0.585 0.000 -3.253) 3.306 5.726 ( 0.838 0.000 -1.070) 1.360 5.806 ( 0.624 0.000 0.262) 0.677 5.965 ( -3.521 0.000 -3.663) 5.080 6.520 ( 0.847 0.000 -16.645) 16.667 6.740 ( -2.961 0.000 -0.344) 2.980 6.889 ( -6.107 0.000 2.614) 6.643 7.620 ( -6.493 0.000 -4.438) 7.865 7.868 ( -6.106 0.000 5.155) 7.991 12.161 ( -0.181 0.000 -0.780) 0.801 12.193 ( -1.184 0.000 -0.111) 1.190 12.313 ( -1.203 0.000 2.798) 3.046 12.437 ( -0.145 0.000 0.642) 0.658 12.509 ( -0.082 0.000 1.689) 1.691 12.545 ( -0.363 0.000 -1.870) 1.905 13.394 ( -0.958 0.000 0.428) 1.050 13.674 ( 2.765 0.000 1.015) 2.946 15.750 ( 0.715 0.000 -0.167) 0.734 16.078 ( 1.501 0.000 -0.136) 1.507 16.616 ( 0.723 0.000 0.513) 0.887 16.663 ( 0.916 0.000 -0.082) 0.919 16.868 ( 0.985 0.000 -0.808) 1.273 16.873 ( 0.534 0.000 -0.531) 0.753 16.990 ( 0.836 0.000 0.666) 1.068 17.029 ( -1.712 0.000 -0.429) 1.765 17.772 ( -3.058 0.000 1.570) 3.437 17.788 ( 0.078 0.000 -0.599) 0.604 17.931 ( -1.050 0.000 -0.243) 1.078 18.050 ( 1.405 0.000 -0.206) 1.420 24.727 ( -1.716 0.000 -0.921) 1.948 24.984 ( 2.963 0.000 2.193) 3.686 25.242 ( 1.894 0.000 0.367) 1.929 25.320 ( -0.951 0.000 -2.114) 2.318 28.257 ( 1.016 0.000 -0.686) 1.226 28.267 ( -1.011 0.000 0.790) 1.283 28.421 ( 0.794 0.000 -1.603) 1.789 28.472 ( -0.145 0.000 -0.627) 0.643 28.740 ( -3.681 0.000 4.099) 5.509 28.929 ( -1.238 0.000 -1.738) 2.134 30.668 ( 1.623 0.000 2.480) 2.964 30.850 ( 3.842 0.000 3.504) 5.200 33.019 ( -8.107 0.000 8.886) 12.029 33.407 ( -9.943 0.000 13.199) 16.525 33.956 ( -4.886 0.000 -6.201) 7.894 34.401 ( -16.359 0.000 -6.045) 17.440 35.782 ( 1.196 0.000 -1.997) 2.328 36.123 ( 6.065 0.000 1.067) 6.158 36.347 ( 8.561 0.000 -1.860) 8.761 36.697 ( -0.687 0.000 1.226) 1.406 39.559 ( 4.639 0.000 6.331) 7.849 40.219 ( 12.432 0.000 -17.635) 21.576 40.712 ( -0.728 0.000 5.288) 5.338 41.057 ( 2.406 0.000 0.914) 2.573 76.434 ( 0.160 0.000 -1.231) 1.241 76.877 ( -1.345 0.000 1.802) 2.249 79.241 ( 2.529 0.000 12.290) 12.547 80.134 ( 3.597 0.000 -15.425) 15.839 ======================= Grid point 81 (29/136) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 14.140 0.000 1.285) 14.199 1.600 ( -0.369 0.000 -7.090) 7.099 2.006 ( 2.915 0.000 0.925) 3.059 2.133 ( 9.120 0.000 -9.005) 12.817 2.312 ( 0.044 0.000 -9.863) 9.863 2.496 ( -5.658 0.000 9.185) 10.788 2.678 ( 1.098 0.000 4.320) 4.457 2.703 ( -0.763 0.000 3.486) 3.568 2.833 ( -0.499 0.000 -0.915) 1.042 2.904 ( 0.432 0.000 4.264) 4.286 3.053 ( 11.189 0.000 3.956) 11.868 3.153 ( -1.850 0.000 0.602) 1.945 3.352 ( -7.061 0.000 -4.954) 8.625 3.438 ( 9.587 0.000 4.209) 10.470 3.540 ( 3.019 0.000 -0.942) 3.163 3.656 ( 1.723 0.000 0.338) 1.756 4.120 ( 6.387 0.000 -0.824) 6.440 4.122 ( 2.103 0.000 5.348) 5.747 4.291 ( 3.368 0.000 2.247) 4.049 4.468 ( -11.708 0.000 -5.386) 12.888 4.523 ( -5.621 0.000 -6.931) 8.924 4.625 ( 3.386 0.000 4.073) 5.297 4.803 ( 2.618 0.000 1.001) 2.803 4.953 ( -9.238 0.000 5.874) 10.947 5.160 ( -2.734 0.000 1.289) 3.022 5.176 ( 6.059 0.000 -0.874) 6.122 5.391 ( -8.516 0.000 7.049) 11.054 5.550 ( 3.950 0.000 -3.711) 5.420 5.744 ( 1.222 0.000 -0.055) 1.223 5.804 ( -0.432 0.000 -0.896) 0.994 5.899 ( -1.223 0.000 -2.853) 3.104 6.364 ( -3.821 0.000 -12.682) 13.245 6.756 ( 3.510 0.000 -1.452) 3.799 6.795 ( -6.386 0.000 2.984) 7.048 7.505 ( -2.974 0.000 -3.132) 4.319 7.783 ( -6.362 0.000 3.024) 7.044 12.157 ( 0.686 0.000 -1.492) 1.642 12.173 ( -0.813 0.000 -0.190) 0.835 12.313 ( -1.309 0.000 3.448) 3.688 12.439 ( -0.205 0.000 0.594) 0.628 12.513 ( -0.548 0.000 1.148) 1.272 12.529 ( 0.037 0.000 -1.598) 1.599 13.386 ( -0.551 0.000 1.254) 1.370 13.721 ( 1.789 0.000 0.327) 1.819 15.767 ( 1.013 0.000 0.471) 1.117 16.099 ( 1.041 0.000 -0.595) 1.199 16.631 ( 0.440 0.000 0.681) 0.811 16.676 ( 0.609 0.000 0.037) 0.610 16.872 ( -0.159 0.000 -0.530) 0.553 16.875 ( 0.558 0.000 -1.220) 1.342 16.994 ( -1.522 0.000 -0.346) 1.561 17.007 ( 0.595 0.000 0.366) 0.699 17.736 ( -2.085 0.000 1.155) 2.384 17.788 ( 0.423 0.000 -0.849) 0.948 17.910 ( -0.827 0.000 -0.382) 0.911 18.066 ( 0.767 0.000 -0.966) 1.233 24.700 ( -0.948 0.000 0.281) 0.989 25.039 ( 1.819 0.000 0.670) 1.939 25.272 ( 1.110 0.000 0.392) 1.177 25.290 ( -0.774 0.000 -1.398) 1.598 28.255 ( -0.789 0.000 0.496) 0.932 28.274 ( 1.581 0.000 -1.040) 1.893 28.424 ( 0.696 0.000 -1.157) 1.351 28.465 ( -0.563 0.000 0.153) 0.583 28.702 ( -3.183 0.000 2.881) 4.293 28.902 ( -0.532 0.000 -1.541) 1.630 30.714 ( 1.106 0.000 3.204) 3.390 30.928 ( 2.032 0.000 2.808) 3.466 32.959 ( -4.705 0.000 5.533) 7.263 33.319 ( -9.394 0.000 10.844) 14.347 33.855 ( -1.702 0.000 -5.268) 5.536 34.085 ( -11.222 0.000 -9.338) 14.599 35.805 ( 1.691 0.000 0.300) 1.718 36.222 ( 4.456 0.000 -0.607) 4.497 36.480 ( 6.623 0.000 -0.331) 6.631 36.698 ( -0.102 0.000 0.547) 0.557 39.664 ( 2.128 0.000 5.411) 5.815 40.294 ( 9.070 0.000 -14.326) 16.955 40.738 ( -1.110 0.000 6.491) 6.585 41.092 ( 0.725 0.000 0.860) 1.125 76.439 ( 1.121 0.000 -0.540) 1.244 76.848 ( -2.864 0.000 0.919) 3.008 79.349 ( 0.126 0.000 10.480) 10.481 80.090 ( 2.412 0.000 -10.103) 10.387 ======================= Grid point 82 (30/136) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 5.619 0.000 3.449) 6.593 1.823 ( 12.403 0.000 -1.331) 12.474 2.048 ( 1.158 0.000 1.715) 2.070 2.226 ( 5.974 0.000 -4.456) 7.453 2.250 ( 0.861 0.000 -6.572) 6.628 2.416 ( -10.648 0.000 8.612) 13.695 2.691 ( -2.845 0.000 2.039) 3.500 2.697 ( -1.044 0.000 0.753) 1.288 2.835 ( 0.594 0.000 2.099) 2.181 2.953 ( 0.693 0.000 5.342) 5.387 3.122 ( -2.295 0.000 1.618) 2.808 3.188 ( 1.938 0.000 -0.672) 2.051 3.263 ( 0.461 0.000 -0.671) 0.814 3.552 ( 0.984 0.000 -2.134) 2.349 3.603 ( 2.906 0.000 -1.462) 3.253 3.676 ( 0.793 0.000 -0.263) 0.836 4.099 ( -4.772 0.000 0.357) 4.786 4.205 ( -1.219 0.000 -7.886) 7.979 4.286 ( 2.803 0.000 -1.241) 3.065 4.361 ( -4.583 0.000 -5.148) 6.892 4.455 ( 7.646 0.000 5.429) 9.377 4.733 ( 3.959 0.000 4.514) 6.004 4.838 ( 0.200 0.000 1.538) 1.551 4.845 ( -6.420 0.000 4.450) 7.812 5.060 ( -7.798 0.000 2.787) 8.281 5.259 ( 4.550 0.000 -1.764) 4.880 5.314 ( -5.240 0.000 3.202) 6.141 5.604 ( 3.139 0.000 -2.249) 3.862 5.758 ( 0.365 0.000 -0.421) 0.557 5.782 ( -0.242 0.000 -2.472) 2.484 5.885 ( 1.249 0.000 -0.938) 1.562 6.260 ( 1.241 0.000 -7.653) 7.753 6.714 ( -4.523 0.000 2.406) 5.123 6.809 ( 3.261 0.000 -1.578) 3.623 7.477 ( 1.282 0.000 -0.222) 1.301 7.695 ( -4.479 0.000 0.227) 4.485 12.162 ( -0.284 0.000 -0.300) 0.413 12.162 ( 1.182 0.000 -1.807) 2.159 12.315 ( -1.456 0.000 4.119) 4.369 12.438 ( -0.321 0.000 0.414) 0.524 12.507 ( -0.783 0.000 0.449) 0.902 12.526 ( 0.684 0.000 -1.049) 1.252 13.393 ( -0.138 0.000 2.367) 2.371 13.737 ( 0.115 0.000 -0.983) 0.990 15.791 ( 0.806 0.000 1.527) 1.727 16.102 ( 0.083 0.000 -1.585) 1.587 16.639 ( -0.071 0.000 0.600) 0.604 16.684 ( 0.191 0.000 0.005) 0.191 16.863 ( -0.273 0.000 -0.828) 0.871 16.873 ( 0.543 0.000 -1.793) 1.874 16.976 ( -0.474 0.000 0.399) 0.620 17.015 ( 0.113 0.000 0.116) 0.162 17.713 ( -1.231 0.000 0.745) 1.439 17.790 ( 0.506 0.000 -0.844) 0.984 17.901 ( 0.003 0.000 0.034) 0.034 18.063 ( 0.063 0.000 -1.948) 1.949 24.699 ( 0.062 0.000 1.722) 1.723 25.050 ( -0.295 0.000 -1.762) 1.786 25.281 ( 0.445 0.000 -0.080) 0.452 25.287 ( 0.304 0.000 0.329) 0.448 28.246 ( -0.537 0.000 0.174) 0.564 28.295 ( 1.496 0.000 -1.263) 1.958 28.432 ( 0.838 0.000 -0.388) 0.923 28.451 ( -1.197 0.000 0.276) 1.229 28.674 ( -1.841 0.000 2.206) 2.873 28.888 ( 0.174 0.000 -1.500) 1.510 30.753 ( 0.199 0.000 4.441) 4.445 30.959 ( -0.358 0.000 1.582) 1.622 32.925 ( -2.744 0.000 3.264) 4.264 33.237 ( -7.395 0.000 8.791) 11.488 33.798 ( -0.700 0.000 -7.671) 7.703 33.919 ( 0.678 0.000 -6.086) 6.124 35.840 ( 1.149 0.000 2.226) 2.505 36.264 ( 1.320 0.000 -2.536) 2.860 36.566 ( 2.689 0.000 0.605) 2.756 36.696 ( -0.501 0.000 -0.030) 0.502 39.708 ( -1.053 0.000 4.007) 4.143 40.342 ( 7.053 0.000 -11.970) 13.893 40.768 ( -1.282 0.000 7.794) 7.899 41.096 ( -0.537 0.000 0.022) 0.538 76.465 ( 1.495 0.000 0.984) 1.789 76.793 ( -2.904 0.000 -1.274) 3.171 79.394 ( -2.728 0.000 8.291) 8.728 80.091 ( 4.388 0.000 -5.695) 7.189 ======================= Grid point 83 (31/136) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -1.550 0.000 5.409) 5.626 1.993 ( 3.640 0.000 1.696) 4.016 2.126 ( 6.784 0.000 1.683) 6.990 2.204 ( -9.730 0.000 4.453) 10.701 2.286 ( 7.321 0.000 0.894) 7.376 2.320 ( 1.265 0.000 -2.470) 2.775 2.636 ( -3.655 0.000 -0.372) 3.674 2.682 ( -0.190 0.000 -0.535) 0.568 2.865 ( -0.244 0.000 3.184) 3.194 2.949 ( -6.525 0.000 5.303) 8.408 3.108 ( -8.099 0.000 -4.528) 9.279 3.112 ( 0.692 0.000 1.210) 1.393 3.362 ( 7.839 0.000 3.517) 8.592 3.464 ( -6.527 0.000 -4.825) 8.117 3.582 ( -3.246 0.000 -1.734) 3.680 3.668 ( -1.997 0.000 -0.651) 2.101 4.016 ( -2.428 0.000 -3.461) 4.228 4.090 ( -1.436 0.000 -8.106) 8.232 4.252 ( -3.233 0.000 -3.397) 4.690 4.420 ( 8.702 0.000 -0.120) 8.703 4.644 ( 6.658 0.000 7.323) 9.898 4.712 ( -9.471 0.000 5.108) 10.761 4.841 ( -0.575 0.000 1.379) 1.495 4.854 ( 2.420 0.000 2.262) 3.313 5.028 ( 4.341 0.000 1.783) 4.693 5.227 ( -5.708 0.000 -0.315) 5.717 5.309 ( 0.940 0.000 0.746) 1.200 5.602 ( -1.003 0.000 -2.246) 2.459 5.757 ( 0.139 0.000 -0.125) 0.187 5.777 ( 1.473 0.000 -2.463) 2.870 5.921 ( 2.722 0.000 0.038) 2.723 6.295 ( 7.586 0.000 -6.588) 10.047 6.677 ( -0.781 0.000 0.863) 1.164 6.844 ( 1.443 0.000 -0.189) 1.455 7.545 ( 5.030 0.000 2.928) 5.820 7.634 ( -1.158 0.000 -2.689) 2.928 12.160 ( 0.360 0.000 -0.401) 0.538 12.172 ( 1.324 0.000 -1.740) 2.187 12.321 ( -1.474 0.000 4.709) 4.935 12.433 ( -0.441 0.000 0.230) 0.498 12.493 ( -0.770 0.000 -0.251) 0.810 12.538 ( 1.214 0.000 -0.445) 1.293 13.415 ( 0.170 0.000 3.577) 3.581 13.712 ( -1.409 0.000 -2.235) 2.642 15.815 ( 0.173 0.000 2.614) 2.620 16.080 ( -0.739 0.000 -2.653) 2.754 16.638 ( -0.527 0.000 0.544) 0.757 16.684 ( -0.174 0.000 -0.030) 0.176 16.852 ( 0.026 0.000 -1.316) 1.316 16.873 ( 0.870 0.000 -1.631) 1.849 16.980 ( 0.375 0.000 0.619) 0.724 17.012 ( -0.447 0.000 -0.033) 0.448 17.702 ( -0.463 0.000 0.281) 0.541 17.793 ( 0.435 0.000 -0.643) 0.777 17.911 ( 0.710 0.000 0.575) 0.913 18.041 ( -0.518 0.000 -2.890) 2.936 24.726 ( 0.966 0.000 3.027) 3.178 25.008 ( -1.964 0.000 -3.407) 3.932 25.288 ( -0.360 0.000 0.294) 0.465 25.301 ( 1.419 0.000 0.521) 1.512 28.239 ( -0.242 0.000 -0.099) 0.261 28.305 ( 0.488 0.000 -1.040) 1.149 28.431 ( -0.845 0.000 -0.441) 0.953 28.447 ( 0.843 0.000 0.323) 0.903 28.668 ( -0.669 0.000 2.005) 2.114 28.887 ( 1.013 0.000 -1.502) 1.811 30.787 ( -0.613 0.000 6.247) 6.277 30.939 ( -2.613 0.000 0.450) 2.651 32.902 ( -2.241 0.000 2.269) 3.189 33.189 ( -4.060 0.000 6.736) 7.865 33.750 ( 3.219 0.000 -8.810) 9.380 33.989 ( 9.368 0.000 -3.633) 10.048 35.876 ( 0.287 0.000 3.818) 3.829 36.232 ( -2.095 0.000 -4.030) 4.542 36.583 ( -1.528 0.000 1.439) 2.099 36.675 ( -1.534 0.000 -0.985) 1.822 39.685 ( -4.252 0.000 2.850) 5.118 40.377 ( 5.903 0.000 -10.449) 12.002 40.805 ( -1.494 0.000 9.364) 9.483 41.076 ( -1.172 0.000 -1.018) 1.552 76.503 ( 1.090 0.000 2.920) 3.117 76.734 ( -1.502 0.000 -3.835) 4.119 79.373 ( -5.635 0.000 6.756) 8.797 80.173 ( 8.193 0.000 -2.234) 8.493 ======================= Grid point 84 (32/136) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -11.361 0.000 -0.448) 11.370 1.789 ( -24.118 0.000 5.991) 24.851 2.212 ( 4.867 0.000 -4.761) 6.808 2.242 ( 8.344 0.000 -7.746) 11.386 2.324 ( -0.380 0.000 -1.043) 1.110 2.554 ( 12.519 0.000 16.197) 20.471 2.569 ( -2.879 0.000 -1.808) 3.400 2.682 ( -0.663 0.000 0.971) 1.176 2.820 ( -10.048 0.000 -2.023) 10.250 2.825 ( -8.823 0.000 3.193) 9.383 2.900 ( -7.362 0.000 1.244) 7.467 3.149 ( 1.872 0.000 1.107) 2.174 3.315 ( -5.667 0.000 -1.563) 5.879 3.375 ( -5.576 0.000 -5.468) 7.810 3.595 ( -4.029 0.000 -3.363) 5.248 3.687 ( 13.122 0.000 8.155) 15.449 3.946 ( -3.150 0.000 -3.870) 4.990 4.042 ( 0.059 0.000 -3.163) 3.163 4.204 ( -0.117 0.000 -2.098) 2.102 4.513 ( -5.774 0.000 1.683) 6.015 4.619 ( 4.175 0.000 0.248) 4.183 4.743 ( -0.938 0.000 3.338) 3.468 4.883 ( 3.671 0.000 4.822) 6.060 4.923 ( 4.357 0.000 1.432) 4.587 5.108 ( -3.537 0.000 -3.815) 5.203 5.188 ( 8.064 0.000 1.825) 8.268 5.283 ( -6.059 0.000 4.188) 7.366 5.577 ( 0.358 0.000 -1.384) 1.430 5.767 ( 0.545 0.000 1.290) 1.400 5.782 ( 0.675 0.000 -2.236) 2.335 5.974 ( 3.298 0.000 -0.268) 3.309 6.397 ( 9.960 0.000 -11.416) 15.150 6.700 ( 3.348 0.000 -1.052) 3.510 6.861 ( -0.212 0.000 1.925) 1.937 7.618 ( 2.373 0.000 -4.903) 5.447 7.690 ( 7.450 0.000 5.394) 9.198 12.169 ( 1.019 0.000 -0.410) 1.098 12.184 ( 1.254 0.000 -1.348) 1.841 12.331 ( -1.363 0.000 5.248) 5.422 12.426 ( -0.475 0.000 0.067) 0.480 12.477 ( -0.610 0.000 -0.713) 0.938 12.560 ( 1.348 0.000 -0.075) 1.350 13.449 ( 0.294 0.000 4.733) 4.742 13.661 ( -2.087 0.000 -2.824) 3.512 15.832 ( -0.763 0.000 3.357) 3.443 16.043 ( -0.824 0.000 -3.362) 3.462 16.632 ( -0.488 0.000 0.838) 0.970 16.678 ( -0.432 0.000 0.047) 0.435 16.844 ( 0.313 0.000 -1.843) 1.870 16.877 ( 0.611 0.000 -1.134) 1.288 16.995 ( 0.866 0.000 0.142) 0.878 17.000 ( -0.910 0.000 -0.056) 0.912 17.700 ( 0.175 0.000 -0.317) 0.362 17.796 ( 0.316 0.000 -0.285) 0.425 17.930 ( 0.770 0.000 0.827) 1.130 18.005 ( -0.809 0.000 -3.458) 3.552 24.774 ( 1.416 0.000 3.828) 4.081 24.940 ( -2.559 0.000 -3.777) 4.562 25.281 ( -0.676 0.000 0.500) 0.841 25.332 ( 1.614 0.000 0.192) 1.625 28.236 ( 0.134 0.000 -0.299) 0.328 28.297 ( -0.689 0.000 -0.376) 0.785 28.419 ( 0.324 0.000 -1.685) 1.716 28.463 ( 0.348 0.000 0.631) 0.720 28.674 ( -0.358 0.000 1.947) 1.980 28.904 ( 2.070 0.000 -1.325) 2.458 30.827 ( -0.960 0.000 9.017) 9.068 30.876 ( -4.345 0.000 -0.160) 4.348 32.877 ( -2.577 0.000 2.894) 3.876 33.189 ( -0.875 0.000 4.958) 5.034 33.794 ( 8.379 0.000 -8.190) 11.717 34.171 ( 13.518 0.000 -4.255) 14.171 35.905 ( -0.400 0.000 4.783) 4.800 36.138 ( -4.551 0.000 -4.607) 6.475 36.539 ( -4.726 0.000 2.571) 5.380 36.623 ( -2.766 0.000 -2.839) 3.964 39.602 ( -6.834 0.000 2.256) 7.197 40.404 ( 5.324 0.000 -9.671) 11.040 40.850 ( -1.730 0.000 11.103) 11.237 41.042 ( -1.452 0.000 -1.797) 2.310 76.541 ( 0.015 0.000 4.628) 4.628 76.690 ( 0.652 0.000 -5.861) 5.898 79.293 ( -8.325 0.000 6.283) 10.430 80.353 ( 12.412 0.000 0.590) 12.426 ======================= Grid point 85 (33/136) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -26.840 0.000 -0.496) 26.845 1.348 ( -18.953 0.000 -2.843) 19.165 2.094 ( -20.808 0.000 0.008) 20.808 2.249 ( -3.926 0.000 -6.727) 7.789 2.295 ( 3.034 0.000 -10.263) 10.702 2.482 ( -2.359 0.000 -2.457) 3.406 2.619 ( -5.664 0.000 5.254) 7.726 2.718 ( 0.895 0.000 8.571) 8.618 2.757 ( 1.664 0.000 -2.385) 2.908 2.838 ( -2.493 0.000 -0.059) 2.493 2.897 ( 9.158 0.000 15.915) 18.362 3.181 ( 0.366 0.000 0.169) 0.403 3.254 ( -0.679 0.000 -6.498) 6.533 3.259 ( -0.758 0.000 0.733) 1.055 3.496 ( -3.511 0.000 -4.213) 5.484 3.826 ( -4.632 0.000 -4.632) 6.550 4.027 ( -1.342 0.000 1.212) 1.808 4.039 ( 15.408 0.000 10.207) 18.482 4.198 ( 0.126 0.000 -0.896) 0.904 4.359 ( -9.696 0.000 0.209) 9.698 4.712 ( -3.238 0.000 1.216) 3.459 4.725 ( 5.589 0.000 -3.906) 6.819 4.984 ( 2.006 0.000 5.968) 6.296 4.993 ( 1.835 0.000 -0.712) 1.969 5.094 ( 5.253 0.000 4.002) 6.604 5.167 ( -9.970 0.000 5.205) 11.247 5.326 ( 6.436 0.000 -2.807) 7.021 5.594 ( 1.136 0.000 1.406) 1.807 5.765 ( -0.612 0.000 -2.816) 2.882 5.802 ( 2.045 0.000 2.388) 3.144 6.041 ( 4.764 0.000 -0.422) 4.783 6.450 ( 7.875 0.000 -20.266) 21.743 6.772 ( 5.802 0.000 -2.643) 6.375 6.867 ( -1.206 0.000 3.079) 3.307 7.646 ( 4.801 0.000 -5.483) 7.287 7.879 ( 8.332 0.000 7.033) 10.904 12.189 ( 1.472 0.000 -0.297) 1.502 12.199 ( 1.245 0.000 -0.779) 1.468 12.347 ( -1.365 0.000 5.778) 5.937 12.417 ( -0.463 0.000 -0.200) 0.504 12.463 ( -0.275 0.000 -0.619) 0.677 12.582 ( 1.137 0.000 -0.024) 1.137 13.492 ( 0.266 0.000 5.758) 5.765 13.604 ( -1.846 0.000 -2.676) 3.251 15.834 ( -1.749 0.000 3.497) 3.910 16.008 ( -0.096 0.000 -3.578) 3.579 16.637 ( 0.131 0.000 1.631) 1.637 16.668 ( -0.734 0.000 0.058) 0.737 16.836 ( 0.333 0.000 -2.166) 2.191 16.875 ( -0.069 0.000 -0.783) 0.786 16.981 ( -1.130 0.000 -0.015) 1.130 17.011 ( 1.004 0.000 -0.485) 1.114 17.701 ( 0.476 0.000 -1.089) 1.189 17.801 ( 0.236 0.000 0.219) 0.322 17.946 ( 0.218 0.000 0.745) 0.776 17.966 ( -0.707 0.000 -3.222) 3.299 24.826 ( 1.209 0.000 3.824) 4.010 24.868 ( -2.445 0.000 -3.283) 4.093 25.276 ( -0.427 0.000 1.169) 1.245 25.359 ( 1.508 0.000 -0.495) 1.587 28.240 ( 0.611 0.000 -0.405) 0.733 28.280 ( -0.946 0.000 0.066) 0.948 28.413 ( 0.758 0.000 -2.764) 2.866 28.465 ( -0.569 0.000 0.448) 0.724 28.681 ( -0.583 0.000 2.053) 2.134 28.942 ( 2.974 0.000 -0.939) 3.119 30.788 ( -5.129 0.000 -0.184) 5.132 30.892 ( -0.299 0.000 13.114) 13.118 32.863 ( -2.383 0.000 7.059) 7.450 33.221 ( 0.496 0.000 4.225) 4.254 33.920 ( 11.785 0.000 -7.864) 14.168 34.384 ( 13.534 0.000 -5.778) 14.716 35.934 ( -0.142 0.000 4.724) 4.726 36.016 ( -5.116 0.000 -4.177) 6.604 36.463 ( -6.063 0.000 3.962) 7.243 36.531 ( -4.064 0.000 -6.234) 7.442 39.482 ( -8.134 0.000 2.140) 8.411 40.428 ( 5.084 0.000 -9.615) 10.877 40.903 ( -1.734 0.000 12.237) 12.359 41.000 ( -1.580 0.000 -2.154) 2.671 76.567 ( -1.335 0.000 5.477) 5.638 76.675 ( 2.833 0.000 -6.802) 7.368 79.172 ( -10.203 0.000 6.763) 12.241 80.619 ( 15.728 0.000 2.630) 15.946 ======================= Grid point 86 (34/136) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -25.560 0.000 -3.452) 25.792 0.937 ( -24.452 0.000 -1.138) 24.478 1.571 ( -37.277 0.000 10.790) 38.807 2.156 ( -1.627 0.000 -4.952) 5.212 2.187 ( -5.798 0.000 -7.339) 9.353 2.460 ( 1.422 0.000 -4.588) 4.803 2.610 ( -0.739 0.000 0.965) 1.216 2.783 ( 3.081 0.000 -0.811) 3.186 2.790 ( -1.611 0.000 2.637) 3.091 2.858 ( 3.868 0.000 6.319) 7.409 3.083 ( 6.114 0.000 -1.548) 6.307 3.154 ( -1.522 0.000 -0.565) 1.623 3.275 ( 0.776 0.000 1.871) 2.026 3.316 ( 7.536 0.000 1.083) 7.614 3.424 ( -1.401 0.000 -1.910) 2.369 3.704 ( -4.494 0.000 -4.950) 6.685 4.009 ( -2.286 0.000 3.040) 3.804 4.183 ( -1.571 0.000 0.819) 1.772 4.185 ( -8.576 0.000 -1.624) 8.728 4.370 ( 11.597 0.000 9.725) 15.135 4.657 ( -3.745 0.000 0.883) 3.848 4.745 ( 0.934 0.000 -3.868) 3.979 4.976 ( -9.015 0.000 6.581) 11.161 5.058 ( 4.124 0.000 2.215) 4.681 5.084 ( -0.222 0.000 2.661) 2.670 5.277 ( 8.129 0.000 3.832) 8.987 5.383 ( 5.059 0.000 -0.593) 5.094 5.615 ( -0.830 0.000 1.594) 1.797 5.723 ( -1.483 0.000 -2.359) 2.786 5.866 ( 2.911 0.000 1.245) 3.166 6.143 ( 6.121 0.000 0.997) 6.202 6.360 ( 2.526 0.000 -32.624) 32.722 6.847 ( -3.867 0.000 2.425) 4.565 6.859 ( 6.242 0.000 -3.653) 7.233 7.705 ( 5.486 0.000 -3.981) 6.778 8.080 ( 8.037 0.000 7.662) 11.104 12.215 ( 1.474 0.000 -0.128) 1.479 12.220 ( 1.602 0.000 -0.201) 1.615 12.366 ( -1.293 0.000 6.310) 6.442 12.407 ( -0.397 0.000 -0.301) 0.498 12.460 ( 0.158 0.000 -0.153) 0.220 12.598 ( 0.751 0.000 -0.211) 0.780 13.543 ( 0.528 0.000 6.534) 6.556 13.560 ( -1.040 0.000 -2.072) 2.318 15.821 ( -2.388 0.000 3.053) 3.876 15.991 ( 1.016 0.000 -3.329) 3.480 16.653 ( -0.930 0.000 -0.086) 0.934 16.660 ( 0.803 0.000 1.940) 2.099 16.827 ( 0.348 0.000 -1.497) 1.537 16.864 ( -0.579 0.000 -0.714) 0.919 16.960 ( -1.104 0.000 -0.124) 1.111 17.023 ( 0.954 0.000 -0.819) 1.257 17.698 ( 0.158 0.000 -1.060) 1.072 17.808 ( 0.169 0.000 0.830) 0.847 17.939 ( -0.151 0.000 -1.806) 1.812 17.948 ( -0.437 0.000 0.484) 0.652 24.810 ( -1.713 0.000 -2.167) 2.762 24.866 ( 0.406 0.000 2.948) 2.976 25.287 ( 0.510 0.000 1.777) 1.849 25.378 ( 1.300 0.000 -1.261) 1.811 28.253 ( 1.115 0.000 -0.385) 1.180 28.266 ( -0.731 0.000 0.210) 0.761 28.403 ( 0.341 0.000 -2.868) 2.888 28.449 ( -1.343 0.000 0.073) 1.345 28.684 ( -0.825 0.000 2.419) 2.556 28.991 ( 2.995 0.000 -0.677) 3.070 30.699 ( -4.580 0.000 0.208) 4.585 31.019 ( 2.806 0.000 16.067) 16.310 32.947 ( 2.087 0.000 25.842) 25.926 33.262 ( 0.404 0.000 4.925) 4.941 34.088 ( 12.921 0.000 -7.713) 15.048 34.547 ( 9.075 0.000 -6.364) 11.084 35.908 ( -3.724 0.000 -3.199) 4.909 35.974 ( 1.551 0.000 3.133) 3.496 36.374 ( -6.732 0.000 -12.554) 14.245 36.386 ( -6.153 0.000 4.951) 7.898 39.354 ( -7.534 0.000 2.203) 7.850 40.445 ( 4.936 0.000 -10.963) 12.023 40.956 ( -1.864 0.000 9.024) 9.214 40.957 ( -1.398 0.000 -2.207) 2.612 76.571 ( -2.482 0.000 5.082) 5.656 76.693 ( 4.472 0.000 -6.561) 7.940 79.038 ( -10.353 0.000 7.817) 12.973 80.932 ( 17.017 0.000 -0.490) 17.024 ======================= Grid point 87 (35/136) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -16.577 0.000 12.548) 20.790 0.523 ( -21.863 0.000 10.831) 24.399 1.014 ( -36.959 0.000 26.436) 45.440 2.047 ( -2.850 0.000 -7.647) 8.161 2.128 ( 1.301 0.000 -1.792) 2.215 2.440 ( 0.990 0.000 -8.461) 8.519 2.550 ( -5.294 0.000 -0.315) 5.303 2.782 ( -1.569 0.000 2.801) 3.211 2.857 ( 5.472 0.000 -2.235) 5.910 2.928 ( 0.837 0.000 0.717) 1.102 3.108 ( -3.821 0.000 1.428) 4.079 3.189 ( 9.601 0.000 -7.554) 12.217 3.269 ( -3.936 0.000 0.403) 3.957 3.442 ( 2.064 0.000 3.144) 3.761 3.443 ( 6.357 0.000 -4.028) 7.525 3.608 ( -1.890 0.000 -4.926) 5.276 3.995 ( -0.983 0.000 2.832) 2.998 4.083 ( -1.375 0.000 3.160) 3.446 4.155 ( -2.839 0.000 2.760) 3.959 4.492 ( -6.361 0.000 7.060) 9.503 4.628 ( 0.835 0.000 0.062) 0.838 4.737 ( 0.731 0.000 -1.532) 1.697 4.898 ( -3.124 0.000 5.527) 6.349 5.067 ( -6.184 0.000 -7.129) 9.437 5.107 ( 0.195 0.000 0.854) 0.876 5.301 ( 2.396 0.000 -4.517) 5.113 5.581 ( -2.002 0.000 -0.676) 2.113 5.696 ( -0.667 0.000 -0.186) 0.692 5.722 ( 19.165 0.000 19.430) 27.291 5.869 ( -1.937 0.000 -11.665) 11.825 6.049 ( -6.215 0.000 -26.720) 27.433 6.250 ( 3.444 0.000 2.956) 4.539 6.759 ( -8.128 0.000 4.598) 9.338 6.936 ( 5.298 0.000 -3.742) 6.486 7.780 ( 4.708 0.000 -0.827) 4.780 8.263 ( 6.594 0.000 3.392) 7.415 12.237 ( 0.902 0.000 -0.025) 0.903 12.255 ( 2.421 0.000 -0.275) 2.436 12.396 ( -0.074 0.000 4.740) 4.741 12.402 ( -0.007 0.000 0.212) 0.212 12.464 ( 0.267 0.000 0.161) 0.312 12.606 ( 0.352 0.000 -0.469) 0.587 13.539 ( -0.025 0.000 -1.292) 1.293 13.603 ( 1.167 0.000 3.311) 3.511 15.798 ( -2.226 0.000 2.656) 3.465 15.995 ( 1.793 0.000 -2.658) 3.207 16.636 ( -0.707 0.000 -0.328) 0.779 16.662 ( -1.870 0.000 -2.892) 3.444 16.835 ( 0.652 0.000 0.455) 0.795 16.847 ( -0.507 0.000 -0.844) 0.984 16.940 ( -0.961 0.000 0.212) 0.985 17.035 ( 0.958 0.000 -0.728) 1.203 17.729 ( 4.201 0.000 5.860) 7.211 17.817 ( -0.160 0.000 1.373) 1.383 17.938 ( 0.634 0.000 0.229) 0.675 17.940 ( -0.534 0.000 0.212) 0.575 24.780 ( -0.369 0.000 -0.686) 0.779 24.881 ( -0.601 0.000 1.674) 1.778 25.298 ( -1.117 0.000 -2.555) 2.788 25.387 ( 0.990 0.000 -1.930) 2.169 28.259 ( -0.370 0.000 0.683) 0.777 28.273 ( 1.307 0.000 -0.208) 1.324 28.404 ( 2.140 0.000 0.831) 2.296 28.423 ( -1.397 0.000 -0.222) 1.414 28.689 ( -0.674 0.000 3.388) 3.454 29.031 ( 1.822 0.000 -0.834) 2.004 30.636 ( -2.665 0.000 0.836) 2.793 31.159 ( 1.061 0.000 -2.169) 2.414 33.305 ( -0.136 0.000 6.558) 6.560 33.702 ( 58.245 0.000 86.824) 104.551 34.254 ( 11.027 0.000 -7.501) 13.336 34.619 ( 4.035 0.000 -4.502) 6.046 35.833 ( -3.049 0.000 -5.642) 6.413 36.030 ( 3.066 0.000 0.209) 3.074 36.043 ( -19.525 0.000 -19.523) 27.611 36.306 ( -6.996 0.000 4.553) 8.347 39.257 ( -4.704 0.000 2.325) 5.247 40.398 ( -2.561 0.000 -23.723) 23.861 40.853 ( -15.920 0.000 -8.760) 18.171 40.923 ( -0.491 0.000 -2.147) 2.202 76.551 ( -3.158 0.000 3.308) 4.573 76.736 ( 5.049 0.000 -5.358) 7.362 78.931 ( -7.978 0.000 9.064) 12.075 81.036 ( -5.322 0.000 -35.065) 35.466 ======================= Grid point 88 (36/136) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.565 16.694 16.229) 23.423 0.694 ( -10.062 19.248 15.502) 26.684 1.203 ( 7.601 26.009 33.695) 43.239 2.007 ( 2.824 1.548 -8.156) 8.769 2.152 ( 4.189 -3.192 1.642) 5.516 2.325 ( 1.095 -3.163 -13.252) 13.669 2.421 ( -4.852 -4.428 -2.060) 6.884 2.717 ( 1.961 -6.456 3.257) 7.492 2.908 ( 0.008 -0.431 -2.863) 2.895 2.945 ( -1.515 1.614 -2.975) 3.708 3.049 ( -4.327 0.472 -1.804) 4.711 3.130 ( -2.314 -1.008 1.489) 2.931 3.270 ( -1.459 -3.939 -1.990) 4.648 3.304 ( 4.446 -7.738 -1.992) 9.144 3.644 ( 2.218 4.300 -6.758) 8.312 3.689 ( -1.434 11.624 -8.755) 14.623 4.044 ( 3.857 -1.775 2.672) 5.016 4.107 ( -0.872 7.553 2.125) 7.895 4.182 ( -2.811 0.173 6.200) 6.810 4.420 ( -4.581 0.769 3.702) 5.940 4.589 ( -5.178 -1.014 -6.075) 8.047 4.769 ( 1.976 -6.040 -0.780) 6.403 4.817 ( -0.278 -0.281 0.092) 0.406 4.944 ( 1.036 3.861 6.610) 7.724 5.105 ( 4.554 1.046 -3.770) 6.004 5.335 ( -1.058 -2.340 3.690) 4.496 5.413 ( 5.545 -1.643 5.389) 7.905 5.668 ( 0.946 -1.185 -0.719) 1.678 5.727 ( -3.395 5.476 -3.747) 7.454 5.892 ( -2.903 -1.045 -2.382) 3.898 6.191 ( 0.059 -5.682 1.655) 5.919 6.449 ( 16.803 -4.486 3.322) 17.706 6.647 ( -5.799 0.337 3.479) 6.771 6.957 ( 1.211 -3.687 -1.942) 4.339 7.903 ( 2.362 2.123 -3.180) 4.495 8.141 ( -4.019 -6.799 -0.240) 7.901 12.240 ( -1.671 -1.386 1.676) 2.743 12.261 ( -0.460 0.988 0.087) 1.094 12.311 ( -0.575 -0.356 1.793) 1.917 12.431 ( -0.264 -0.308 -0.940) 1.024 12.509 ( 0.533 1.648 1.340) 2.190 12.598 ( -0.013 -0.187 -1.026) 1.043 13.479 ( -1.946 0.392 1.473) 2.472 13.709 ( -0.593 4.275 -8.105) 9.182 15.794 ( -1.699 1.689 1.917) 3.069 16.017 ( 0.726 -0.800 -0.341) 1.133 16.577 ( -0.621 1.006 0.278) 1.214 16.650 ( 0.125 0.632 -1.039) 1.223 16.817 ( -2.331 0.731 -1.788) 3.027 16.919 ( 1.205 0.855 -2.823) 3.186 16.968 ( 0.349 4.373 -2.082) 4.856 17.060 ( -0.036 1.022 -0.552) 1.162 17.784 ( 0.983 -1.315 3.771) 4.113 17.920 ( 0.628 -0.134 -0.941) 1.139 17.936 ( 0.475 -0.539 0.122) 0.729 17.967 ( 0.305 0.570 0.008) 0.647 24.867 ( -1.852 0.261 0.118) 1.874 25.022 ( 6.922 3.558 -6.141) 9.914 25.265 ( -7.285 13.832 -12.725) 20.158 25.424 ( 0.983 3.364 -2.918) 4.561 28.258 ( -0.418 0.138 0.518) 0.680 28.289 ( 0.437 -0.290 0.182) 0.555 28.407 ( -0.185 0.397 -0.468) 0.641 28.469 ( 3.654 -1.887 0.106) 4.114 28.720 ( 0.138 -0.138 4.938) 4.942 29.020 ( -0.265 -2.173 -1.091) 2.446 30.624 ( -1.344 1.266 2.250) 2.910 30.894 ( -12.043 0.665 -3.737) 12.627 33.323 ( -2.892 -2.728 9.439) 10.242 33.589 ( -11.357 -33.236 41.380) 54.276 34.375 ( 2.762 4.292 -8.297) 9.741 35.160 ( -22.058 5.063 -20.105) 30.273 35.808 ( 4.077 -4.467 2.977) 6.741 35.955 ( 13.728 -5.693 4.993) 15.678 36.176 ( -1.097 5.540 2.594) 6.214 36.558 ( 21.537 5.724 -7.031) 23.367 39.275 ( 1.288 3.105 0.892) 3.477 39.545 ( -12.429 -2.324 -1.154) 12.697 40.649 ( -2.479 2.020 2.271) 3.922 40.907 ( 0.864 -0.909 -1.713) 2.123 76.528 ( -1.614 1.822 1.376) 2.796 76.808 ( 1.638 -0.813 -1.008) 2.088 79.972 ( 30.554 37.616 -29.477) 56.722 80.434 ( -45.173 39.111 -40.547) 72.210 ======================= Grid point 89 (37/136) ======================= q-point: ( 0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.684 11.278 16.828) 20.792 0.915 ( 16.645 5.437 17.687) 24.889 1.683 ( 17.573 20.467 29.453) 39.940 2.050 ( 8.261 1.235 -9.289) 12.492 2.177 ( -3.272 -2.896 -10.485) 11.359 2.272 ( 5.329 -1.728 0.559) 5.630 2.386 ( 2.835 -4.720 -7.627) 9.407 2.760 ( 0.712 -2.576 1.802) 3.223 2.809 ( -6.393 -0.862 -3.740) 7.457 2.861 ( -6.438 -1.825 -0.068) 6.692 2.967 ( -2.360 -1.071 -2.466) 3.578 3.115 ( 0.106 0.268 -1.269) 1.301 3.260 ( 3.389 -2.667 -3.227) 5.387 3.400 ( 3.720 -6.364 1.235) 7.474 3.571 ( -3.515 10.467 -6.739) 12.935 3.670 ( 5.039 3.039 -3.378) 6.786 4.071 ( -2.579 3.335 2.823) 5.073 4.109 ( 0.608 2.380 2.743) 3.682 4.249 ( 2.887 -2.090 7.054) 7.904 4.342 ( -9.020 -1.319 -2.876) 9.558 4.483 ( 2.215 0.239 -2.666) 3.475 4.781 ( -1.858 -6.794 -1.975) 7.315 4.825 ( 1.541 -1.077 2.073) 2.798 5.040 ( 4.098 7.776 6.030) 10.660 5.160 ( -0.498 -4.222 0.703) 4.309 5.292 ( -3.225 7.600 -3.809) 9.092 5.540 ( 3.856 1.120 2.375) 4.665 5.657 ( -2.949 3.804 -0.333) 4.825 5.702 ( 2.809 -0.256 1.224) 3.075 5.797 ( -3.176 -2.665 -4.814) 6.353 6.158 ( -4.778 -4.983 1.737) 7.119 6.581 ( -1.459 -0.879 -2.555) 3.070 6.677 ( 4.462 -16.475 0.117) 17.069 6.969 ( 1.524 -3.817 -1.657) 4.431 7.874 ( -3.775 -1.708 -1.700) 4.478 8.038 ( -5.971 0.826 0.480) 6.047 12.215 ( -1.958 0.343 1.429) 2.448 12.245 ( -1.258 1.032 -0.055) 1.628 12.312 ( -0.770 -0.178 1.719) 1.892 12.428 ( 0.236 -0.228 0.111) 0.347 12.516 ( -0.472 2.394 1.112) 2.681 12.586 ( -0.329 -0.006 -1.368) 1.407 13.452 ( -1.812 1.235 0.697) 2.301 13.648 ( -0.348 4.795 -3.410) 5.894 15.780 ( -1.045 2.359 1.091) 2.801 16.025 ( 0.604 -0.939 -0.071) 1.119 16.582 ( 0.829 0.643 0.059) 1.051 16.652 ( 0.748 1.234 -1.070) 1.797 16.774 ( -0.917 -1.248 -0.216) 1.564 16.923 ( 1.786 1.967 -3.027) 4.027 16.970 ( 0.335 2.877 0.406) 2.925 17.060 ( 0.080 0.185 -0.119) 0.234 17.805 ( -0.711 -0.010 2.218) 2.330 17.890 ( -3.705 -0.575 0.431) 3.775 17.938 ( 0.363 -0.458 -0.051) 0.586 17.982 ( 1.569 -0.184 0.223) 1.596 24.821 ( -2.672 0.640 -0.927) 2.900 25.062 ( 0.766 15.791 -8.742) 18.065 25.105 ( -1.379 -2.769 2.970) 4.288 25.419 ( 0.777 3.854 -3.111) 5.014 28.253 ( -0.297 0.245 0.129) 0.406 28.290 ( -0.522 -0.169 0.627) 0.833 28.409 ( 0.886 0.512 -0.890) 1.356 28.497 ( 0.738 -0.660 -1.919) 2.159 28.756 ( -1.037 -1.283 5.716) 5.950 28.994 ( -1.448 -2.121 -1.542) 2.995 30.625 ( -0.871 1.357 3.074) 3.471 30.755 ( -1.351 5.616 0.036) 5.777 33.284 ( -11.600 -2.069 13.606) 17.999 33.525 ( -16.126 -8.703 26.082) 31.876 34.301 ( -4.481 3.832 -8.322) 10.199 34.795 ( -7.971 2.018 -5.087) 9.669 35.837 ( -0.519 -3.540 0.128) 3.580 36.063 ( -2.360 -2.411 -0.214) 3.381 36.112 ( 2.302 5.511 -1.540) 6.168 36.762 ( 2.099 -0.221 -0.081) 2.112 39.310 ( 2.772 1.752 3.648) 4.905 39.741 ( 25.172 -6.941 -14.373) 29.806 40.648 ( -0.222 0.681 2.732) 2.824 40.933 ( 3.082 -1.016 -1.136) 3.439 76.501 ( -1.939 2.266 0.505) 3.025 76.829 ( 1.250 -1.407 0.267) 1.901 79.594 ( -21.625 46.398 -9.577) 52.079 80.216 ( 15.826 14.738 -23.287) 31.780 ======================= Grid point 90 (38/136) ======================= q-point: ( 0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.085 6.851 11.211) 18.544 1.353 ( 16.958 0.594 14.673) 22.433 2.005 ( -0.209 -3.671 -15.334) 15.769 2.159 ( 8.953 1.717 -8.843) 12.700 2.228 ( 19.344 10.760 18.678) 28.962 2.320 ( -0.359 -3.776 -10.116) 10.804 2.410 ( 5.019 -0.642 2.883) 5.824 2.687 ( -5.331 -0.784 1.237) 5.528 2.758 ( -4.553 -0.027 1.590) 4.823 2.787 ( 2.536 0.289 -0.767) 2.665 2.908 ( -2.988 -3.836 -1.159) 4.999 3.133 ( 3.440 0.812 -1.569) 3.867 3.274 ( -0.244 1.938 -3.193) 3.743 3.426 ( -0.907 -3.910 0.873) 4.107 3.533 ( 1.490 3.344 0.809) 3.749 3.766 ( 6.824 1.944 -2.056) 7.387 4.032 ( -5.431 2.293 -0.572) 5.923 4.094 ( -8.887 2.462 -0.486) 9.234 4.170 ( 2.953 -0.342 1.624) 3.388 4.367 ( 3.391 -4.378 6.475) 8.520 4.569 ( 5.944 -1.029 -0.958) 6.108 4.725 ( -1.120 -5.092 -3.981) 6.560 4.853 ( -0.846 -2.386 2.900) 3.850 5.062 ( -8.545 -1.364 -0.258) 8.657 5.142 ( -0.777 4.967 5.026) 7.108 5.226 ( 1.211 9.842 -2.520) 10.232 5.559 ( -5.207 0.054 1.874) 5.534 5.608 ( -0.035 1.520 0.214) 1.535 5.735 ( -0.849 -1.541 -2.739) 3.256 5.771 ( 2.477 -0.185 1.593) 2.951 6.058 ( -5.898 -2.070 -1.690) 6.475 6.534 ( 0.473 -5.782 -10.908) 12.355 6.676 ( -2.547 -10.956 2.663) 11.559 6.963 ( -1.296 -2.353 -1.632) 3.143 7.755 ( -6.565 -1.814 -3.414) 7.619 7.952 ( -5.584 1.269 3.317) 6.618 12.195 ( -1.003 1.761 0.115) 2.030 12.219 ( -1.528 0.418 0.054) 1.585 12.309 ( -1.091 -0.417 2.073) 2.379 12.436 ( 0.282 -0.178 0.513) 0.611 12.515 ( -0.510 1.797 1.222) 2.232 12.567 ( -0.499 0.113 -1.621) 1.699 13.427 ( -1.358 1.527 0.284) 2.063 13.647 ( 1.526 2.248 -0.657) 2.795 15.775 ( -0.049 2.965 0.341) 2.985 16.041 ( 1.159 -1.145 0.093) 1.632 16.601 ( 1.042 0.245 0.216) 1.092 16.657 ( 0.561 0.965 -0.745) 1.342 16.777 ( 0.659 -2.995 0.761) 3.160 16.936 ( 1.612 2.511 -2.394) 3.826 16.980 ( 0.123 1.418 0.953) 1.713 17.055 ( -0.529 0.204 -0.322) 0.652 17.801 ( -0.981 0.745 1.210) 1.727 17.829 ( -3.169 0.480 0.682) 3.277 17.941 ( -0.156 -0.463 -0.117) 0.502 18.014 ( 1.664 -0.656 0.338) 1.821 24.769 ( -2.182 0.544 -1.077) 2.493 25.033 ( 0.290 10.562 0.281) 10.570 25.133 ( 1.617 -5.126 -0.497) 5.398 25.407 ( 0.252 4.120 -2.603) 4.880 28.252 ( 0.291 0.328 -0.334) 0.551 28.282 ( -0.831 0.211 0.771) 1.153 28.420 ( 1.001 0.496 -1.199) 1.639 28.489 ( -0.076 0.495 -1.292) 1.386 28.761 ( -2.619 -0.633 4.976) 5.659 28.953 ( -1.625 -1.787 -1.656) 2.929 30.647 ( 1.280 2.285 2.070) 3.339 30.792 ( 3.276 3.594 2.084) 5.291 33.148 ( -12.639 1.675 13.136) 18.306 33.458 ( -9.775 -2.367 16.283) 19.139 34.132 ( -6.795 2.542 -7.817) 10.665 34.625 ( -11.242 -5.750 -2.677) 12.908 35.801 ( -0.852 -0.857 -3.079) 3.308 36.041 ( 1.894 0.322 -0.259) 1.938 36.213 ( 8.152 2.587 -1.091) 8.622 36.761 ( -1.395 3.562 1.995) 4.315 39.417 ( 4.993 -0.005 5.033) 7.090 40.016 ( 18.040 -7.795 -17.162) 26.091 40.669 ( -0.185 -0.323 3.871) 3.889 40.991 ( 3.621 -1.019 -0.169) 3.765 76.472 ( -1.258 2.440 -0.210) 2.753 76.852 ( 0.355 -1.985 1.441) 2.479 79.379 ( -4.826 25.814 5.101) 26.752 80.247 ( 5.890 8.537 -19.265) 21.880 ======================= Grid point 91 (39/136) ======================= q-point: ( 0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 14.461 4.797 6.677) 16.635 1.670 ( 7.461 3.784 7.254) 11.073 1.877 ( 1.235 -6.296 -17.599) 18.732 2.164 ( 5.026 4.546 -14.349) 15.868 2.318 ( 5.711 -2.579 -6.585) 9.090 2.512 ( 1.086 0.303 6.853) 6.945 2.631 ( -2.101 -2.902 4.504) 5.755 2.672 ( 11.574 2.358 7.891) 14.206 2.727 ( 2.429 3.428 6.171) 7.465 2.813 ( -2.162 -2.207 1.297) 3.351 2.899 ( 4.186 -1.615 0.617) 4.529 3.199 ( 0.982 0.959 -0.968) 1.679 3.251 ( 4.123 1.960 -0.239) 4.571 3.418 ( -1.174 -1.690 1.380) 2.478 3.542 ( -3.024 -2.966 -1.408) 4.463 3.766 ( -3.318 7.403 -3.311) 8.762 3.980 ( 5.589 -0.350 2.001) 5.947 4.052 ( -0.544 1.572 1.725) 2.396 4.243 ( 2.577 -0.295 1.930) 3.233 4.474 ( 2.999 -6.283 5.026) 8.586 4.576 ( -2.772 -4.771 -3.108) 6.333 4.713 ( -2.636 -1.282 1.143) 3.146 4.803 ( -4.431 0.910 -3.392) 5.654 4.973 ( 2.939 -1.047 -1.102) 3.309 5.079 ( -6.870 0.438 3.298) 7.633 5.291 ( 2.999 9.589 1.729) 10.194 5.464 ( -6.287 -2.435 2.660) 7.248 5.586 ( -3.026 2.157 -0.495) 3.749 5.713 ( 0.013 -1.073 -0.595) 1.227 5.813 ( 1.291 0.835 1.029) 1.850 5.945 ( -4.183 -2.105 -3.374) 5.772 6.417 ( -3.579 -11.358 -11.830) 16.786 6.688 ( 2.197 -1.827 0.444) 2.892 6.904 ( -4.333 -0.186 0.043) 4.337 7.616 ( -5.455 -0.073 -4.037) 6.787 7.871 ( -6.463 -0.218 3.797) 7.499 12.180 ( -0.333 1.784 -1.022) 2.083 12.195 ( -1.195 0.263 0.050) 1.224 12.305 ( -1.197 -0.591 2.667) 2.983 12.443 ( 0.125 0.246 0.599) 0.660 12.514 ( -0.638 0.645 1.174) 1.484 12.547 ( -0.362 0.163 -1.698) 1.744 13.408 ( -1.012 1.573 0.559) 1.952 13.680 ( 2.083 0.293 0.214) 2.114 15.783 ( 0.691 3.302 0.153) 3.377 16.066 ( 1.434 -1.169 0.055) 1.851 16.620 ( 0.810 0.398 0.559) 1.062 16.663 ( 0.551 0.099 -0.380) 0.677 16.797 ( 0.737 -3.172 0.798) 3.353 16.942 ( 0.777 2.749 -2.038) 3.509 16.985 ( -0.493 -0.364 0.914) 1.101 17.039 ( -0.668 1.057 -0.464) 1.334 17.781 ( -2.603 1.073 1.787) 3.334 17.797 ( -0.244 0.818 -0.737) 1.128 17.929 ( -0.776 -0.176 -0.479) 0.929 18.043 ( 1.343 -0.803 -0.071) 1.566 24.729 ( -1.578 0.601 -0.622) 1.800 25.059 ( 1.490 6.972 1.413) 7.268 25.148 ( 0.509 -6.458 -0.485) 6.497 25.393 ( -0.001 4.199 -1.891) 4.605 28.259 ( 0.814 0.315 -0.564) 1.039 28.274 ( -0.572 0.602 0.472) 0.955 28.426 ( 0.677 0.535 -1.215) 1.490 28.480 ( -0.289 0.679 -0.420) 0.849 28.739 ( -3.132 0.049 3.712) 4.857 28.916 ( -1.144 -1.377 -1.447) 2.302 30.691 ( 1.784 2.421 2.043) 3.635 30.874 ( 3.358 2.130 2.883) 4.912 33.040 ( -8.427 2.169 9.042) 12.549 33.388 ( -9.801 -1.941 12.867) 16.290 33.968 ( -5.263 1.233 -6.674) 8.589 34.344 ( -14.816 -5.522 -6.987) 17.287 35.793 ( 1.786 1.134 -1.938) 2.869 36.104 ( 4.759 -2.700 -0.290) 5.480 36.367 ( 9.152 3.708 -0.410) 9.884 36.755 ( -0.780 4.697 1.604) 5.024 39.542 ( 4.295 -1.443 5.343) 7.005 40.161 ( 11.800 -6.702 -14.864) 20.127 40.696 ( -0.409 -0.424 4.952) 4.986 41.049 ( 2.457 -1.148 0.589) 2.775 76.457 ( -0.088 2.489 -0.564) 2.553 76.856 ( -1.374 -2.149 1.885) 3.172 79.395 ( -0.495 15.027 8.567) 17.305 80.183 ( 1.053 4.525 -13.704) 14.470 ======================= Grid point 92 (40/136) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 7.876 4.009 0.754) 8.870 1.701 ( 6.469 7.648 -6.337) 11.853 1.913 ( 6.855 -4.991 -2.400) 8.812 2.196 ( 5.076 2.394 -6.566) 8.638 2.328 ( 1.522 1.446 -7.414) 7.706 2.530 ( -4.609 2.652 8.090) 9.681 2.661 ( 0.789 -2.498 4.882) 5.541 2.737 ( 1.514 3.272 3.815) 5.249 2.764 ( -3.519 -3.772 1.203) 5.297 2.890 ( 2.469 -3.433 2.193) 4.763 3.057 ( 8.795 0.124 4.399) 9.835 3.173 ( -0.776 2.568 -0.964) 2.851 3.320 ( -6.701 -1.419 -4.009) 7.936 3.410 ( 8.123 -2.169 3.364) 9.055 3.514 ( 2.797 -2.652 -0.160) 3.858 3.744 ( 0.067 7.090 -0.350) 7.099 4.059 ( 0.561 -2.327 3.885) 4.563 4.136 ( 7.822 -1.210 -0.627) 7.939 4.293 ( 2.484 0.282 1.936) 3.161 4.394 ( -8.007 -5.752 -5.477) 11.278 4.567 ( -6.282 1.947 -4.972) 8.244 4.625 ( 2.924 -4.185 3.362) 6.113 4.757 ( -1.202 -0.367 1.371) 1.860 4.970 ( -8.395 1.186 5.210) 9.951 5.064 ( 3.755 -3.230 0.559) 4.985 5.320 ( -0.180 7.395 -1.348) 7.519 5.379 ( -5.820 -1.062 5.631) 8.167 5.541 ( 0.894 -1.160 -3.159) 3.482 5.705 ( -1.305 -2.586 -0.114) 2.899 5.840 ( 1.323 2.474 -0.071) 2.807 5.875 ( -0.780 -2.232 -2.543) 3.472 6.273 ( -3.114 -8.498 -9.268) 12.954 6.732 ( 1.925 -0.926 -0.706) 2.250 6.828 ( -3.654 1.648 0.868) 4.102 7.518 ( -2.340 1.435 -2.838) 3.948 7.779 ( -6.216 -0.632 2.433) 6.705 12.168 ( -0.269 0.520 -0.781) 0.976 12.179 ( -0.159 0.928 -1.022) 1.390 12.306 ( -1.221 -0.526 3.405) 3.656 12.449 ( 0.022 0.719 0.514) 0.884 12.506 ( -0.970 -0.370 0.661) 1.230 12.533 ( 0.134 0.263 -1.319) 1.351 13.400 ( -0.611 1.542 1.303) 2.109 13.715 ( 1.489 -0.859 -0.051) 1.720 15.800 ( 0.933 3.387 0.576) 3.560 16.088 ( 1.041 -1.093 -0.445) 1.574 16.636 ( 0.408 0.462 0.668) 0.909 16.671 ( 0.517 -0.473 -0.134) 0.714 16.811 ( 0.277 -2.783 0.438) 2.830 16.932 ( -0.176 1.801 -2.318) 2.940 16.976 ( -0.885 -0.426 0.785) 1.257 17.032 ( 0.073 1.559 -0.109) 1.564 17.750 ( -2.002 1.449 1.161) 2.731 17.792 ( 0.206 0.449 -0.794) 0.935 17.912 ( -0.586 0.189 -0.518) 0.804 18.059 ( 0.769 -0.776 -0.836) 1.376 24.706 ( -0.838 0.819 0.375) 1.231 25.090 ( 1.136 4.523 -1.194) 4.813 25.152 ( -0.036 -6.685 1.595) 6.873 25.381 ( 0.062 3.981 -1.340) 4.201 28.262 ( -0.486 0.620 0.331) 0.855 28.279 ( 1.368 0.478 -0.970) 1.744 28.429 ( 0.540 0.516 -0.874) 1.149 28.471 ( -0.716 0.503 0.230) 0.904 28.708 ( -2.705 0.719 2.608) 3.826 28.892 ( -0.502 -1.053 -1.264) 1.720 30.736 ( 1.145 2.276 2.806) 3.790 30.941 ( 1.762 1.204 2.458) 3.255 32.973 ( -5.159 1.517 5.755) 7.877 33.299 ( -9.392 -2.092 10.582) 14.303 33.859 ( -1.905 0.412 -5.632) 5.960 34.051 ( -10.043 -3.336 -9.266) 14.066 35.823 ( 2.082 1.873 0.085) 2.802 36.185 ( 4.155 -3.556 -0.620) 5.504 36.515 ( 7.335 3.960 -0.559) 8.354 36.751 ( -0.955 4.600 1.061) 4.817 39.637 ( 2.074 -2.386 4.674) 5.643 40.239 ( 8.153 -6.435 -12.378) 16.158 40.726 ( -0.617 -0.143 5.900) 5.934 41.083 ( 0.816 -1.276 0.553) 1.613 76.462 ( 0.905 2.417 -0.157) 2.586 76.829 ( -2.728 -1.967 1.000) 3.508 79.450 ( -0.862 10.051 8.489) 13.184 80.112 ( 0.745 1.947 -8.924) 9.164 ======================= Grid point 93 (41/136) ======================= q-point: ( 0.45 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.465 4.800 2.425) 6.990 1.896 ( 12.265 7.010 -0.424) 14.133 2.008 ( 5.384 -2.411 -1.316) 6.044 2.213 ( 2.106 -0.538 -4.444) 4.947 2.310 ( 1.265 3.808 -4.221) 5.824 2.453 ( -10.619 3.311 7.717) 13.538 2.657 ( -3.268 -2.042 -0.213) 3.859 2.715 ( -2.503 -0.932 2.459) 3.630 2.823 ( 3.758 0.117 3.707) 5.280 2.922 ( -1.072 -3.887 4.967) 6.397 3.151 ( -1.527 1.578 -1.603) 2.719 3.182 ( 1.860 0.002 0.680) 1.980 3.240 ( 1.238 0.436 0.457) 1.390 3.500 ( 0.068 -5.246 -2.679) 5.891 3.568 ( 2.129 -3.479 -0.106) 4.081 3.739 ( 0.057 5.601 -0.044) 5.602 4.069 ( -3.769 -2.011 -1.274) 4.458 4.207 ( 1.284 -0.168 -3.351) 3.592 4.275 ( 2.999 -1.471 -2.372) 4.097 4.401 ( -1.667 -0.838 -2.374) 3.019 4.414 ( 3.317 1.305 -0.992) 3.700 4.691 ( 0.435 -9.801 2.093) 10.032 4.763 ( 0.493 -0.710 3.026) 3.147 4.872 ( -6.829 1.264 5.775) 9.033 5.052 ( -4.926 -0.440 3.510) 6.065 5.318 ( -0.135 2.821 1.304) 3.111 5.334 ( -0.659 2.666 -2.254) 3.553 5.576 ( 4.102 -2.974 -1.908) 5.414 5.666 ( -2.093 -4.585 -0.234) 5.046 5.852 ( 0.321 3.263 -0.639) 3.340 5.878 ( 1.741 -0.577 -1.212) 2.198 6.195 ( 1.080 -6.356 -6.435) 9.109 6.718 ( -2.711 0.561 1.550) 3.173 6.817 ( 1.605 0.609 -0.963) 1.968 7.498 ( 1.412 2.108 -0.353) 2.562 7.692 ( -4.197 -0.337 0.127) 4.212 12.159 ( -0.291 -0.167 -0.214) 0.398 12.175 ( 0.978 0.992 -2.023) 2.456 12.310 ( -1.352 -0.346 4.045) 4.279 12.451 ( -0.150 1.231 0.332) 1.284 12.493 ( -0.757 -1.065 0.245) 1.329 12.531 ( 0.535 0.279 -0.977) 1.148 13.406 ( -0.201 1.426 2.298) 2.712 13.727 ( 0.197 -1.175 -1.019) 1.568 15.822 ( 0.676 3.200 1.396) 3.556 16.092 ( 0.092 -0.951 -1.372) 1.672 16.643 ( -0.108 0.365 0.550) 0.668 16.677 ( 0.260 -0.573 -0.034) 0.630 16.814 ( -0.150 -2.396 0.013) 2.401 16.909 ( -0.008 0.600 -2.570) 2.639 16.974 ( -0.093 0.727 1.185) 1.393 17.033 ( 0.001 1.330 -0.146) 1.338 17.727 ( -1.256 1.413 0.643) 1.997 17.792 ( 0.395 0.189 -0.778) 0.893 17.906 ( 0.145 0.495 -0.028) 0.517 18.057 ( 0.089 -0.640 -1.781) 1.895 24.706 ( 0.045 0.857 1.649) 1.859 25.071 ( -0.754 0.312 -3.864) 3.949 25.179 ( 0.754 -3.261 3.255) 4.669 25.376 ( 0.315 3.588 -1.111) 3.769 28.255 ( -0.418 0.888 0.128) 0.990 28.297 ( 1.375 0.269 -1.156) 1.816 28.435 ( 0.631 0.321 -0.274) 0.759 28.455 ( -1.193 0.392 0.273) 1.285 28.686 ( -1.568 1.241 2.033) 2.852 28.880 ( 0.139 -0.852 -1.229) 1.502 30.772 ( 0.241 2.011 3.960) 4.448 30.968 ( -0.350 0.793 1.388) 1.636 32.935 ( -2.986 1.043 3.567) 4.767 33.216 ( -7.305 -2.220 8.522) 11.442 33.798 ( -0.581 0.006 -7.838) 7.859 33.901 ( 1.003 -1.727 -5.791) 6.126 35.863 ( 1.361 2.288 2.023) 3.343 36.229 ( 1.381 -3.151 -1.637) 3.810 36.613 ( 3.987 4.303 -0.605) 5.898 36.730 ( -2.131 3.386 0.386) 4.019 39.679 ( -0.770 -2.577 3.660) 4.542 40.282 ( 6.032 -6.806 -10.506) 13.896 40.759 ( -0.931 -0.053 6.940) 7.002 41.087 ( -0.366 -1.227 -0.159) 1.290 76.485 ( 1.236 2.134 1.050) 2.680 76.779 ( -2.703 -1.509 -0.972) 3.245 79.477 ( -2.551 8.345 7.196) 11.311 80.097 ( 3.523 0.421 -5.064) 6.183 ======================= Grid point 94 (42/136) ======================= q-point: (-0.45 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -4.107 0.015 2.235) 4.675 2.069 ( 1.612 4.874 2.794) 5.845 2.133 ( 8.982 2.843 2.120) 9.657 2.230 ( -4.623 1.856 1.749) 5.280 2.270 ( 1.853 -0.503 1.415) 2.386 2.355 ( 1.686 2.218 -2.354) 3.647 2.596 ( -2.673 -3.896 -0.828) 4.797 2.683 ( -2.010 -0.016 0.556) 2.085 2.853 ( -5.279 -1.901 4.783) 7.373 2.952 ( 0.416 0.756 4.830) 4.906 3.045 ( -8.007 -5.004 -5.607) 10.981 3.170 ( -1.308 4.220 0.080) 4.419 3.338 ( 5.433 -0.455 3.590) 6.528 3.415 ( -4.786 -4.241 -4.179) 7.639 3.571 ( -1.190 -1.742 -0.092) 2.112 3.740 ( -0.530 5.908 -1.135) 6.039 3.949 ( -2.848 -1.917 -3.918) 5.209 4.217 ( 0.068 8.365 -5.627) 10.081 4.257 ( -4.145 0.477 -3.617) 5.522 4.377 ( 6.630 -4.975 1.132) 8.366 4.562 ( 4.957 -4.843 2.210) 7.274 4.696 ( 0.569 -8.444 1.177) 8.544 4.757 ( -7.364 -2.939 5.417) 9.602 4.825 ( 1.424 -1.850 1.340) 2.692 5.062 ( 4.284 2.551 4.027) 6.409 5.252 ( -4.875 1.613 -0.567) 5.166 5.364 ( 2.285 3.868 -1.360) 4.694 5.602 ( -0.825 0.982 0.160) 1.293 5.671 ( 2.828 -5.838 -0.544) 6.510 5.842 ( -0.649 3.326 -1.407) 3.670 5.905 ( 1.947 -1.353 0.038) 2.371 6.210 ( 4.802 -8.012 -5.978) 11.090 6.704 ( 0.757 2.334 0.822) 2.588 6.837 ( 0.897 -0.739 -0.272) 1.194 7.559 ( 4.142 1.343 2.406) 4.975 7.639 ( -0.497 0.437 -2.398) 2.487 12.156 ( 0.296 -0.288 -0.323) 0.524 12.183 ( 1.407 0.861 -1.952) 2.556 12.315 ( -1.477 -0.338 4.525) 4.772 12.447 ( -0.539 1.332 0.206) 1.451 12.484 ( -0.275 -0.881 -0.247) 0.955 12.539 ( 1.020 0.071 -0.597) 1.184 13.426 ( 0.095 1.206 3.352) 3.564 13.708 ( -0.938 -0.647 -2.011) 2.311 15.843 ( 0.014 2.767 2.298) 3.597 16.072 ( -0.771 -0.770 -2.315) 2.559 16.641 ( -0.544 0.264 0.426) 0.740 16.680 ( 0.005 -0.341 0.064) 0.347 16.806 ( -0.587 -2.397 -0.308) 2.487 16.902 ( 1.203 0.369 -2.384) 2.696 16.987 ( 0.369 1.242 1.329) 1.856 17.029 ( -0.221 1.290 -0.361) 1.358 17.714 ( -0.482 1.274 0.127) 1.368 17.795 ( 0.494 0.165 -0.575) 0.776 17.916 ( 0.726 0.589 0.549) 1.084 18.037 ( -0.496 -0.436 -2.663) 2.743 24.730 ( 0.779 0.586 2.812) 2.976 25.020 ( -1.404 -0.038 -4.382) 4.602 25.214 ( 0.531 -2.164 2.936) 3.686 25.377 ( 0.752 3.311 -1.150) 3.585 28.249 ( -0.199 1.027 -0.094) 1.050 28.307 ( 0.443 0.197 -0.946) 1.063 28.435 ( -0.774 0.388 -0.432) 0.968 28.448 ( 0.638 0.074 0.342) 0.727 28.682 ( -0.610 1.410 1.876) 2.425 28.880 ( 0.898 -0.781 -1.211) 1.698 30.803 ( -0.569 1.682 5.544) 5.821 30.950 ( -2.230 1.037 0.408) 2.493 32.912 ( -2.213 1.065 2.570) 3.555 33.169 ( -3.793 -2.056 6.521) 7.819 33.757 ( 3.667 0.822 -8.483) 9.278 33.969 ( 8.989 -1.996 -3.618) 9.893 35.898 ( 0.176 2.257 3.596) 4.249 36.209 ( -1.735 -2.206 -2.878) 4.020 36.630 ( -3.138 4.411 0.302) 5.422 36.694 ( -0.449 1.981 -0.994) 2.261 39.662 ( -3.683 -1.980 2.814) 5.040 40.307 ( 4.855 -7.565 -9.314) 12.944 40.793 ( -1.461 -0.445 8.268) 8.408 41.071 ( -0.933 -0.971 -1.042) 1.703 76.516 ( 0.596 1.447 2.637) 3.067 76.727 ( -1.138 -0.723 -3.159) 3.435 79.463 ( -4.268 9.027 5.983) 11.640 80.173 ( 7.951 -0.219 -1.907) 8.179 ======================= Grid point 95 (43/136) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -13.696 -4.047 -1.154) 14.328 1.867 ( -19.881 5.290 3.425) 20.856 2.217 ( 2.232 0.888 -5.983) 6.448 2.284 ( 6.159 2.833 -2.745) 7.314 2.319 ( -0.110 -0.928 -0.782) 1.218 2.480 ( 5.218 -3.432 0.261) 6.251 2.595 ( 1.678 -3.105 10.942) 11.497 2.662 ( -1.958 -1.745 2.298) 3.487 2.746 ( -8.390 0.052 2.682) 8.809 2.783 ( -10.297 -5.360 -6.580) 13.344 3.004 ( 0.070 6.108 5.059) 7.931 3.166 ( 0.801 2.272 -0.096) 2.411 3.301 ( -6.071 -1.444 -1.629) 6.450 3.374 ( -1.703 0.739 -2.392) 3.027 3.559 ( -2.126 -1.413 -0.122) 2.555 3.761 ( 7.057 4.629 2.270) 8.740 3.956 ( 2.551 2.072 0.740) 3.369 4.084 ( -5.508 3.410 -4.707) 8.008 4.239 ( -0.034 3.549 -1.680) 3.926 4.442 ( -4.076 -7.786 1.039) 8.850 4.598 ( 3.792 -2.510 0.019) 4.547 4.675 ( -4.005 -5.576 1.903) 7.124 4.771 ( 4.834 -6.761 1.639) 8.471 4.908 ( 6.588 -2.496 0.329) 7.052 5.158 ( -4.864 3.351 -0.029) 5.907 5.222 ( 9.195 3.369 2.765) 10.176 5.361 ( -3.086 5.215 1.542) 6.252 5.594 ( 0.110 2.157 0.435) 2.203 5.715 ( 2.162 -3.834 -0.072) 4.402 5.814 ( -1.253 1.756 -1.145) 2.443 5.952 ( 3.102 -2.068 0.273) 3.738 6.248 ( 5.167 -12.439 -9.628) 16.557 6.759 ( 5.125 3.675 -1.325) 6.444 6.845 ( -0.365 -1.435 1.440) 2.065 7.618 ( 2.700 0.110 -3.261) 4.235 7.697 ( 6.496 0.642 3.428) 7.373 12.165 ( 1.009 -0.276 -0.395) 1.119 12.196 ( 1.475 1.042 -1.512) 2.355 12.323 ( -1.507 -0.661 4.805) 5.079 12.436 ( -0.677 0.874 0.089) 1.109 12.479 ( 0.060 0.175 -0.703) 0.727 12.557 ( 1.260 -0.214 -0.230) 1.298 13.456 ( 0.143 0.822 4.222) 4.304 13.672 ( -1.145 0.650 -2.417) 2.753 15.854 ( -0.892 2.223 2.953) 3.802 16.037 ( -0.952 -0.606 -2.850) 3.065 16.633 ( -0.623 0.036 0.535) 0.822 16.680 ( -0.057 0.213 0.277) 0.354 16.790 ( -0.797 -2.700 -0.476) 2.855 16.913 ( 1.651 0.634 -2.177) 2.805 16.999 ( -0.181 1.271 0.887) 1.561 17.025 ( 0.392 1.894 -0.300) 1.957 17.711 ( 0.123 1.142 -0.413) 1.220 17.802 ( 0.617 0.469 -0.181) 0.796 17.935 ( 0.724 0.521 0.817) 1.210 18.003 ( -0.806 -0.198 -3.189) 3.295 24.771 ( 1.023 0.027 3.425) 3.575 24.964 ( -1.112 1.302 -4.325) 4.651 25.240 ( 0.064 -1.224 2.679) 2.946 25.387 ( 1.367 3.177 -1.360) 3.716 28.247 ( 0.074 1.027 -0.295) 1.072 28.299 ( -0.648 0.237 -0.403) 0.799 28.423 ( 0.225 0.405 -1.554) 1.621 28.461 ( 0.302 -0.141 0.680) 0.757 28.687 ( -0.371 1.351 1.815) 2.293 28.896 ( 1.859 -0.862 -1.006) 2.283 30.831 ( -1.812 0.793 6.712) 6.998 30.904 ( -2.798 2.294 1.085) 3.777 32.891 ( -2.274 1.543 2.982) 4.055 33.173 ( -0.622 -1.676 4.869) 5.187 33.813 ( 8.879 1.924 -7.752) 11.943 34.147 ( 13.423 -2.499 -4.017) 14.232 35.918 ( -1.133 1.364 4.205) 4.563 36.134 ( -3.599 -0.830 -3.570) 5.137 36.527 ( -7.539 0.722 0.048) 7.574 36.683 ( -0.751 4.232 -1.149) 4.449 39.591 ( -6.122 -0.838 2.349) 6.610 40.322 ( 4.112 -8.749 -8.726) 13.023 40.825 ( -2.261 -1.466 9.754) 10.120 41.041 ( -1.185 -0.598 -1.648) 2.116 76.539 ( -0.658 0.177 3.452) 3.518 76.700 ( 1.122 0.559 -4.150) 4.335 79.417 ( -5.165 12.253 5.374) 14.342 80.354 ( 12.689 -0.112 0.747) 12.711 ======================= Grid point 96 (44/136) ======================= q-point: (-0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -21.485 -2.976 -0.902) 21.709 1.514 ( -19.393 9.198 -2.484) 21.607 2.116 ( -17.943 2.047 -0.744) 18.074 2.195 ( -4.156 -6.177 -7.127) 10.306 2.300 ( -0.564 0.601 -6.551) 6.602 2.510 ( 1.315 0.463 -5.012) 5.203 2.536 ( -8.779 -7.761 4.000) 12.382 2.631 ( 1.785 -5.996 5.320) 8.212 2.702 ( 0.502 0.363 4.136) 4.183 2.844 ( 4.788 1.895 4.898) 7.107 3.068 ( 1.380 7.417 7.315) 10.508 3.171 ( -3.230 -2.214 -3.539) 5.278 3.184 ( 0.865 1.377 -0.968) 1.892 3.360 ( 1.147 4.517 0.696) 4.712 3.504 ( -0.824 1.798 -2.462) 3.158 3.848 ( -3.746 1.797 -3.109) 5.189 4.038 ( 2.721 0.686 1.846) 3.359 4.071 ( 9.128 3.517 7.746) 12.477 4.206 ( -2.885 0.492 -1.235) 3.177 4.310 ( -7.836 -4.892 -0.348) 9.245 4.635 ( -1.086 -4.333 -0.546) 4.500 4.699 ( 5.735 -4.310 -1.290) 7.289 4.862 ( 3.435 -7.277 2.080) 8.311 5.006 ( 0.453 -0.638 3.871) 3.949 5.111 ( 1.110 3.380 -1.055) 3.711 5.272 ( -5.003 6.174 1.467) 8.081 5.409 ( 7.790 6.053 0.791) 9.896 5.611 ( 0.730 2.212 2.404) 3.348 5.745 ( 0.822 -2.128 -1.078) 2.523 5.791 ( -0.189 -0.998 0.934) 1.380 6.015 ( 3.758 -2.891 -0.531) 4.771 6.247 ( 5.048 -15.386 -15.608) 22.490 6.826 ( 0.457 1.154 0.351) 1.290 6.865 ( 3.936 0.760 -0.956) 4.121 7.662 ( 5.797 1.258 -5.265) 7.932 7.855 ( 6.968 -2.051 5.732) 9.253 12.186 ( 1.499 -0.110 -0.328) 1.539 12.214 ( 1.464 1.291 -0.860) 2.133 12.329 ( -1.706 -1.302 4.619) 5.093 12.427 ( -0.347 0.662 0.207) 0.776 12.476 ( 0.214 1.011 -0.798) 1.306 12.578 ( 1.128 -0.371 -0.163) 1.198 13.488 ( -0.263 0.127 4.385) 4.394 13.643 ( 0.022 2.643 -1.899) 3.254 15.852 ( -1.786 1.773 3.123) 4.011 16.003 ( -0.338 -0.502 -2.804) 2.869 16.627 ( -0.625 -0.625 0.760) 1.166 16.682 ( -0.002 0.857 0.394) 0.944 16.776 ( -0.414 -2.345 0.119) 2.384 16.923 ( 1.085 0.854 -2.163) 2.566 16.993 ( -0.527 1.583 0.002) 1.669 17.039 ( 0.952 2.589 -0.010) 2.759 17.711 ( 0.355 1.046 -0.905) 1.428 17.816 ( 0.943 1.215 0.399) 1.588 17.949 ( 0.104 0.377 0.380) 0.545 17.967 ( -0.655 0.076 -2.700) 2.779 24.811 ( 0.774 -0.304 2.964) 3.078 24.925 ( 0.038 3.223 -3.613) 4.842 25.260 ( 0.248 0.294 2.793) 2.819 25.405 ( 1.897 3.293 -1.743) 4.181 28.248 ( 0.416 0.781 -0.468) 1.002 28.283 ( -0.901 0.285 0.026) 0.945 28.417 ( 0.602 0.334 -2.468) 2.562 28.465 ( -0.521 -0.084 0.588) 0.790 28.692 ( -0.560 1.261 1.866) 2.321 28.932 ( 2.683 -1.109 -0.611) 2.967 30.794 ( -4.873 0.935 1.451) 5.170 30.920 ( 0.000 2.232 9.472) 9.731 32.882 ( -2.030 2.069 6.231) 6.872 33.208 ( 0.636 -1.374 4.217) 4.480 33.954 ( 12.645 3.421 -7.196) 14.946 34.372 ( 14.928 -1.416 -5.002) 15.807 35.912 ( -2.481 -1.041 2.448) 3.637 36.048 ( -2.923 0.920 -2.591) 4.013 36.378 ( -8.568 -2.132 -0.595) 8.849 36.645 ( -2.378 6.097 -1.450) 6.703 39.484 ( -7.441 0.456 2.215) 7.777 40.325 ( 3.147 -10.886 -8.747) 14.315 40.848 ( -3.615 -3.362 10.605) 11.698 41.006 ( -1.372 -0.378 -1.700) 2.217 76.545 ( -1.178 -0.828 3.063) 3.385 76.705 ( 2.480 1.619 -3.513) 4.595 79.370 ( -3.643 18.933 4.921) 19.899 80.631 ( 16.601 0.718 2.594) 16.818 ======================= Grid point 97 (45/136) ======================= q-point: (-0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -19.666 5.713 3.827) 20.833 1.141 ( -19.394 14.735 -3.903) 24.667 1.653 ( -31.973 8.400 7.433) 33.884 2.114 ( -1.222 -5.051 -4.697) 7.005 2.198 ( -5.161 1.102 -5.751) 7.805 2.409 ( -2.963 -4.194 -2.899) 5.897 2.564 ( 4.184 -11.569 -1.162) 12.357 2.690 ( -2.353 4.173 0.125) 4.792 2.750 ( 4.094 -6.715 2.273) 8.187 2.908 ( 1.614 4.401 1.514) 4.926 3.091 ( -0.188 -5.676 4.795) 7.432 3.163 ( 0.542 -1.779 -0.132) 1.864 3.217 ( 2.671 6.172 -2.433) 7.152 3.373 ( -0.713 0.719 0.532) 1.143 3.561 ( 7.088 11.324 1.769) 13.476 3.736 ( -4.236 3.405 -3.574) 6.504 4.037 ( -3.227 -1.033 -0.272) 3.399 4.113 ( -3.597 -0.101 -0.818) 3.690 4.220 ( -3.195 -0.085 2.073) 3.810 4.353 ( 10.862 -1.714 9.313) 14.410 4.621 ( -0.055 -1.142 -0.900) 1.455 4.758 ( 2.398 -2.409 -1.967) 3.927 4.891 ( -1.847 -10.082 0.415) 10.258 4.994 ( -7.104 1.720 7.406) 10.406 5.113 ( 1.630 4.463 1.666) 5.035 5.277 ( 3.959 -0.268 -1.317) 4.181 5.481 ( 0.041 3.062 -4.429) 5.385 5.662 ( 2.016 3.079 3.812) 5.299 5.711 ( -1.365 0.696 -1.135) 1.906 5.841 ( 2.940 -2.580 1.870) 4.336 6.064 ( 3.879 -9.306 -5.096) 11.297 6.224 ( 5.579 -6.138 -15.054) 17.188 6.804 ( -4.091 -1.456 3.883) 5.825 6.925 ( 4.231 1.638 -4.846) 6.639 7.746 ( 7.690 2.891 -5.537) 9.908 8.016 ( 5.858 -5.439 6.143) 10.082 12.212 ( 1.556 0.111 -0.007) 1.560 12.236 ( 1.437 1.338 -0.288) 1.984 12.326 ( -2.025 -2.008 3.815) 4.763 12.430 ( 0.280 0.629 0.818) 1.069 12.474 ( 0.232 1.270 -0.644) 1.443 12.594 ( 0.790 -0.399 -0.351) 0.953 13.503 ( -1.082 -0.417 3.128) 3.336 13.656 ( 2.737 4.328 -0.792) 5.182 15.836 ( -2.320 1.574 2.810) 3.969 15.988 ( 0.750 -0.424 -2.111) 2.280 16.617 ( -1.098 -1.303 0.598) 1.805 16.681 ( -0.451 0.089 -0.237) 0.517 16.790 ( 1.392 -0.096 2.052) 2.481 16.919 ( 0.309 0.778 -2.021) 2.187 16.986 ( 0.145 2.466 -0.951) 2.647 17.055 ( 0.979 2.977 -0.294) 3.148 17.710 ( 0.226 1.241 -0.514) 1.362 17.844 ( 1.695 2.547 0.913) 3.192 17.934 ( -0.216 -0.035 -2.042) 2.053 17.955 ( -0.441 0.516 0.505) 0.846 24.844 ( 1.363 0.984 1.803) 2.465 24.914 ( 1.430 4.254 -3.126) 5.469 25.297 ( 1.939 2.485 2.240) 3.867 25.428 ( 2.196 3.894 -2.359) 5.055 28.255 ( 0.695 0.241 -0.498) 0.888 28.270 ( -0.544 0.379 0.228) 0.701 28.406 ( 0.243 0.380 -2.437) 2.479 28.451 ( -1.264 0.156 0.301) 1.308 28.695 ( -0.750 1.210 2.143) 2.573 28.978 ( 2.697 -1.472 -0.368) 3.094 30.713 ( -4.649 1.671 0.897) 5.021 31.014 ( 1.447 -0.709 11.548) 11.660 32.940 ( 0.085 0.276 18.802) 18.804 33.251 ( 0.471 -1.198 4.956) 5.120 34.149 ( 14.215 5.357 -6.649) 16.583 34.608 ( 16.111 4.580 -4.134) 17.252 35.867 ( -2.557 -2.251 -0.786) 3.496 35.997 ( -1.901 -2.509 -2.483) 4.010 36.218 ( -7.850 -1.193 -2.118) 8.217 36.579 ( -3.590 7.902 -1.956) 8.897 39.368 ( -6.947 1.571 2.178) 7.447 40.292 ( -0.330 -16.024 -9.832) 18.803 40.834 ( -6.532 -5.714 9.074) 12.556 40.968 ( -1.695 -0.847 -1.483) 2.407 76.544 ( -1.282 -0.593 2.951) 3.272 76.734 ( 3.205 1.628 -2.896) 4.616 79.389 ( 4.099 30.319 2.413) 30.690 80.965 ( 18.718 2.199 -0.625) 18.857 ======================= Grid point 98 (46/136) ======================= q-point: (-0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -6.316 20.015 12.177) 24.265 0.798 ( -15.646 21.117 3.575) 26.523 1.177 ( -28.727 17.160 21.536) 39.793 2.069 ( -3.226 1.861 -6.825) 7.775 2.094 ( 1.875 -3.784 -1.923) 4.640 2.364 ( 0.943 -5.950 -6.238) 8.673 2.560 ( -7.179 -3.244 -1.246) 7.976 2.652 ( 3.227 -8.186 0.162) 8.801 2.849 ( 6.234 -1.729 -1.790) 6.712 2.958 ( 2.046 1.836 -0.056) 2.750 3.112 ( -2.179 0.522 2.467) 3.332 3.168 ( -1.479 -4.537 2.505) 5.390 3.219 ( 2.328 -0.606 -4.635) 5.222 3.360 ( -1.864 -1.698 -0.257) 2.534 3.653 ( 1.673 5.180 -5.089) 7.452 3.708 ( 4.468 12.096 -3.181) 13.281 3.977 ( 0.301 -3.169 -0.990) 3.334 4.096 ( -0.223 5.699 2.262) 6.136 4.195 ( -2.835 1.013 5.346) 6.136 4.486 ( -3.753 -1.022 5.561) 6.786 4.646 ( 2.597 2.869 -1.287) 4.078 4.788 ( 2.802 1.192 -0.692) 3.122 4.810 ( -3.918 -13.903 -1.844) 14.562 4.927 ( -4.890 2.133 6.103) 8.107 5.174 ( -1.031 1.318 -3.007) 3.441 5.294 ( -3.298 -11.978 3.003) 12.782 5.360 ( -1.142 3.593 -4.630) 5.971 5.667 ( -0.382 -2.174 0.014) 2.207 5.778 ( 1.714 0.199 1.777) 2.477 5.884 ( 2.571 -1.769 0.624) 3.183 6.118 ( 9.929 4.702 -11.470) 15.883 6.242 ( 2.613 -0.380 1.512) 3.043 6.736 ( -6.918 -1.057 4.976) 8.587 6.948 ( 2.328 -0.990 -4.178) 4.884 7.844 ( 7.012 3.932 -4.996) 9.465 8.137 ( 2.884 -9.102 3.772) 10.266 12.238 ( 0.832 -0.325 0.656) 1.108 12.257 ( 0.871 0.986 0.017) 1.316 12.315 ( -1.772 -1.868 2.924) 3.896 12.441 ( 0.253 -0.370 -0.574) 0.728 12.482 ( 0.784 1.551 1.126) 2.071 12.601 ( 0.384 -0.327 -0.673) 0.841 13.497 ( -1.536 -0.144 2.027) 2.548 13.716 ( 4.707 3.317 -4.048) 7.038 15.813 ( -2.204 1.587 2.363) 3.600 15.999 ( 1.544 -0.501 -0.957) 1.884 16.597 ( -1.487 -0.768 0.345) 1.709 16.664 ( -0.761 -0.175 -0.816) 1.129 16.836 ( 1.158 0.637 0.988) 1.650 16.913 ( 0.713 0.445 -1.362) 1.601 16.982 ( 0.779 3.584 -3.075) 4.786 17.066 ( 0.643 2.580 -1.352) 2.982 17.727 ( 1.369 0.776 2.876) 3.279 17.891 ( 2.845 3.550 0.244) 4.556 17.927 ( 0.470 -0.435 -0.689) 0.941 17.952 ( -0.138 0.795 0.861) 1.181 24.880 ( -0.016 0.214 1.944) 1.956 24.940 ( 5.798 6.027 -5.548) 10.036 25.352 ( 3.893 5.705 -4.426) 8.203 25.442 ( 1.478 4.731 -4.590) 6.755 28.259 ( -0.124 0.056 0.354) 0.379 28.275 ( 0.852 0.090 -0.031) 0.857 28.403 ( 1.041 0.129 0.021) 1.049 28.429 ( -1.094 0.526 0.289) 1.248 28.698 ( -0.711 1.094 2.835) 3.121 29.015 ( 1.556 -1.875 -0.581) 2.505 30.650 ( -3.072 1.774 1.290) 3.775 31.076 ( -2.971 -6.156 1.330) 6.964 33.229 ( 5.746 -16.920 39.708) 43.544 33.304 ( 1.112 -2.897 12.415) 12.797 34.327 ( 9.634 4.720 -7.188) 12.913 35.017 ( 35.346 15.260 2.892) 38.608 35.808 ( -7.717 -4.278 -11.487) 14.485 35.852 ( -6.202 -6.269 -0.170) 8.820 36.130 ( 0.394 6.639 -0.560) 6.674 36.493 ( -3.281 9.791 -3.186) 10.807 39.282 ( -3.903 2.454 2.014) 5.031 40.071 ( -20.450 -24.765 -12.136) 34.333 40.732 ( -9.277 -2.272 4.608) 10.605 40.925 ( -1.273 -0.835 -2.012) 2.523 76.540 ( -1.450 0.725 2.563) 3.033 76.775 ( 3.241 0.424 -2.153) 3.914 79.597 ( 22.099 41.651 -8.807) 47.966 81.152 ( 5.078 7.261 -29.695) 30.988 ======================= Grid point 99 (47/136) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -8.133 21.996 5.276) 24.037 1.110 ( -3.833 23.354 6.163) 24.455 1.698 ( 7.859 24.370 23.212) 34.561 2.014 ( 3.909 -8.269 -2.435) 9.465 2.060 ( 1.909 0.422 -2.769) 3.390 2.215 ( 2.211 -9.062 -6.917) 11.613 2.329 ( -5.492 -4.106 -4.467) 8.184 2.543 ( 5.311 -10.622 2.687) 12.176 2.910 ( -3.152 -0.463 -3.378) 4.643 2.941 ( -1.272 -3.212 -1.170) 3.647 3.041 ( -1.248 0.062 -1.806) 2.196 3.107 ( -5.807 -2.837 1.407) 6.615 3.207 ( -1.275 -0.552 -0.436) 1.456 3.224 ( 4.022 -0.238 0.706) 4.091 3.705 ( 0.709 3.193 -3.319) 4.660 3.892 ( 1.784 9.749 -8.499) 13.056 4.060 ( 1.152 3.881 1.004) 4.171 4.174 ( -2.049 -0.648 6.368) 6.721 4.266 ( 2.299 5.449 -0.600) 5.944 4.393 ( -5.633 -4.450 2.193) 7.506 4.475 ( -2.661 -6.955 -3.248) 8.124 4.715 ( 0.415 1.538 -2.224) 2.736 4.835 ( 0.035 0.114 -2.855) 2.857 5.011 ( 1.810 1.122 6.732) 7.061 5.115 ( -1.569 0.767 4.197) 4.546 5.233 ( 4.524 -5.631 5.439) 9.042 5.472 ( 2.395 4.913 -0.005) 5.466 5.646 ( 2.164 -0.895 -1.750) 2.924 5.735 ( -0.292 -2.999 -0.229) 3.022 5.859 ( 0.577 -3.300 0.937) 3.478 6.182 ( -4.264 4.110 -4.672) 7.543 6.393 ( 5.553 -2.194 1.034) 6.060 6.666 ( -3.709 1.504 1.758) 4.371 6.867 ( -0.162 -5.338 -1.411) 5.524 7.915 ( 0.607 -0.287 -4.299) 4.351 8.026 ( 1.065 -5.351 -1.581) 5.680 12.240 ( -0.790 1.053 1.106) 1.719 12.291 ( -0.203 1.712 -0.307) 1.751 12.311 ( -0.016 0.083 0.848) 0.853 12.410 ( 0.203 -1.811 -0.757) 1.973 12.538 ( 0.485 1.674 1.464) 2.276 12.595 ( 0.058 -0.180 -0.591) 0.620 13.508 ( -1.238 2.474 0.920) 2.915 13.712 ( 0.446 -2.563 -4.331) 5.052 15.837 ( -1.242 2.676 1.859) 3.487 15.985 ( -0.031 -2.319 1.348) 2.682 16.601 ( -0.141 1.365 -0.025) 1.372 16.650 ( 0.201 -0.337 -0.607) 0.723 16.839 ( -1.849 1.448 -1.238) 2.655 16.912 ( 0.695 -0.816 -0.693) 1.277 17.033 ( 1.195 2.338 -2.738) 3.793 17.075 ( -0.672 0.478 -0.888) 1.212 17.785 ( 0.801 1.186 2.586) 2.956 17.900 ( -0.187 -1.834 -0.040) 1.844 17.937 ( -0.207 0.514 -0.362) 0.662 17.969 ( -0.270 -0.238 0.252) 0.440 24.876 ( -1.570 0.766 0.601) 1.847 24.994 ( 1.672 -3.105 0.027) 3.527 25.465 ( -1.080 6.259 -12.646) 14.152 25.489 ( 1.938 3.182 -4.165) 5.588 28.262 ( -0.186 0.197 0.251) 0.369 28.281 ( 0.313 -0.472 0.077) 0.571 28.417 ( 0.163 0.679 0.073) 0.702 28.450 ( 1.487 -0.357 1.513) 2.151 28.740 ( -0.495 2.196 2.672) 3.494 28.961 ( -0.535 -3.971 -0.491) 4.037 30.674 ( -1.199 3.762 0.995) 4.072 30.883 ( -4.331 -1.833 -2.765) 5.456 33.225 ( -3.513 -3.606 21.534) 22.115 33.340 ( -1.062 -3.624 14.852) 15.325 34.493 ( 2.103 8.166 -9.180) 12.465 35.098 ( -8.985 -8.664 -16.665) 20.822 35.749 ( 3.985 -1.267 3.563) 5.494 35.879 ( 5.460 -3.550 2.888) 7.124 36.302 ( -0.863 7.181 2.021) 7.510 36.583 ( 6.990 -1.467 -2.460) 7.554 39.333 ( 0.390 3.119 0.975) 3.291 39.501 ( -4.063 -2.395 -0.589) 4.753 40.701 ( -1.975 3.368 1.354) 4.132 40.879 ( 0.519 -2.016 -1.234) 2.420 76.576 ( -1.113 3.096 1.673) 3.691 76.768 ( 0.504 -2.969 0.977) 3.166 80.384 ( 7.718 18.347 -10.010) 22.279 80.947 ( -11.794 10.666 -36.045) 39.397 ======================= Grid point 100 (48/136) ======================= q-point: ( 0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.274 16.746 10.858) 19.999 1.191 ( 7.696 18.702 7.941) 21.727 2.022 ( 6.210 5.814 6.013) 10.417 2.076 ( 2.715 -6.019 -0.156) 6.605 2.103 ( 5.891 6.616 10.633) 13.840 2.207 ( -1.150 -5.234 -6.412) 8.357 2.257 ( 8.408 -4.905 -8.069) 12.644 2.634 ( 2.009 -7.676 1.917) 8.163 2.820 ( -3.927 -0.429 -0.525) 3.985 2.870 ( -2.554 -0.245 -2.108) 3.320 2.942 ( -5.228 0.539 -3.297) 6.204 3.108 ( 1.170 -2.366 1.397) 2.986 3.231 ( 3.927 0.986 -1.079) 4.190 3.304 ( 3.862 -2.396 -0.249) 4.552 3.716 ( 2.439 2.855 -1.938) 4.225 3.804 ( -3.012 13.515 -8.828) 16.421 4.070 ( -0.994 1.177 3.349) 3.686 4.210 ( 1.056 -3.086 6.469) 7.245 4.261 ( -9.688 -0.055 1.556) 9.812 4.288 ( -0.845 4.597 -0.797) 4.741 4.452 ( 2.998 -4.211 -3.150) 6.053 4.695 ( -0.778 -0.159 -3.045) 3.147 4.826 ( 1.243 -0.293 -1.516) 1.982 5.014 ( -5.301 -10.248 2.656) 11.840 5.187 ( 4.063 5.994 7.967) 10.766 5.366 ( 4.041 -0.575 -0.296) 4.092 5.540 ( 5.127 0.384 1.798) 5.447 5.662 ( -0.197 -0.517 -0.281) 0.621 5.725 ( -0.246 -2.014 -0.708) 2.149 5.811 ( -4.487 4.402 -3.233) 7.069 6.078 ( -5.305 -1.180 2.706) 6.071 6.403 ( -3.919 -9.093 -1.128) 9.966 6.632 ( -0.330 2.382 -0.666) 2.495 6.877 ( 2.092 -5.548 -1.957) 6.244 7.853 ( -3.770 -0.404 -3.837) 5.394 8.003 ( -2.555 -3.755 -0.887) 4.627 12.234 ( -0.632 1.425 0.779) 1.743 12.274 ( -1.391 1.850 -0.263) 2.330 12.311 ( -0.709 -0.050 1.032) 1.253 12.412 ( 0.492 -1.542 -0.410) 1.670 12.550 ( -0.299 1.475 1.265) 1.966 12.587 ( -0.360 0.107 -0.773) 0.860 13.490 ( -1.323 2.768 0.483) 3.106 13.680 ( -0.331 -1.132 -3.364) 3.565 15.835 ( -0.455 3.209 1.544) 3.590 15.994 ( 0.173 -2.230 1.204) 2.540 16.600 ( 0.171 1.164 0.002) 1.177 16.656 ( 0.749 -0.573 -0.518) 1.076 16.790 ( -2.043 2.305 -1.085) 3.265 16.923 ( 1.000 -1.139 -0.627) 1.640 17.031 ( 0.564 2.563 -2.206) 3.428 17.065 ( 0.040 0.370 -0.445) 0.580 17.813 ( -0.062 0.908 2.874) 3.015 17.877 ( -1.977 -0.821 -0.415) 2.180 17.933 ( 0.139 0.039 -0.584) 0.602 17.974 ( 0.737 -0.661 0.516) 1.116 24.841 ( -2.365 1.516 -0.176) 2.814 25.016 ( 0.370 -4.506 1.104) 4.654 25.331 ( -3.294 10.177 -8.893) 13.911 25.486 ( 1.070 2.691 -4.394) 5.262 28.259 ( -0.077 0.361 -0.044) 0.372 28.285 ( -0.058 -0.418 0.309) 0.523 28.425 ( 0.682 1.104 -0.057) 1.299 28.485 ( 1.109 -0.661 0.529) 1.395 28.753 ( -0.761 1.075 3.540) 3.777 28.938 ( -1.307 -3.670 -0.945) 4.008 30.677 ( 0.628 3.778 0.980) 3.953 30.824 ( 0.134 1.466 -1.962) 2.453 33.257 ( -8.117 -0.104 16.963) 18.805 33.408 ( -5.387 -4.282 17.814) 19.097 34.395 ( -5.288 6.066 -9.604) 12.530 34.775 ( -11.844 -3.969 -12.422) 17.617 35.795 ( 0.387 -0.870 0.520) 1.085 35.959 ( 1.699 -5.618 0.514) 5.891 36.285 ( 0.276 9.904 0.841) 9.943 36.722 ( 5.582 -4.068 1.482) 7.064 39.353 ( 1.780 2.791 2.261) 4.009 39.610 ( 14.320 -6.487 -5.293) 16.588 40.690 ( -0.402 3.529 1.252) 3.766 40.902 ( 2.731 -2.334 -0.877) 3.698 76.560 ( -1.714 3.774 1.312) 4.348 76.784 ( 0.264 -3.241 1.587) 3.618 80.223 ( -18.387 22.265 -8.494) 30.099 80.560 ( 0.815 16.161 -27.680) 32.063 ======================= Grid point 101 (49/136) ======================= q-point: ( 0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 10.099 10.231 10.649) 17.890 1.462 ( 14.471 10.290 8.164) 19.543 1.949 ( -3.046 -1.907 -11.577) 12.122 2.113 ( 3.286 -10.956 -1.569) 11.545 2.210 ( 5.663 -3.232 -8.649) 10.831 2.350 ( 6.794 -4.231 -1.843) 8.213 2.440 ( 10.704 8.648 15.038) 20.384 2.639 ( -1.902 -3.237 2.739) 4.647 2.772 ( -2.627 2.351 4.317) 5.574 2.826 ( -2.674 -4.984 -4.974) 7.532 2.880 ( 2.738 7.481 -1.730) 8.152 3.151 ( 2.762 0.037 1.508) 3.148 3.280 ( 2.173 0.025 -2.429) 3.259 3.353 ( 2.102 -3.361 -0.581) 4.006 3.662 ( -4.305 9.711 -2.896) 11.010 3.812 ( 5.144 3.227 0.972) 6.150 4.074 ( -10.283 0.671 -0.191) 10.307 4.096 ( 1.258 0.214 3.326) 3.562 4.229 ( -3.705 1.041 -0.133) 3.851 4.297 ( 2.102 1.171 5.217) 5.745 4.492 ( 0.908 -6.630 -0.899) 6.752 4.676 ( 3.278 0.556 -4.902) 5.923 4.825 ( -2.479 -2.379 0.741) 3.514 4.944 ( -1.747 -8.582 -0.179) 8.760 5.255 ( -2.439 5.612 -1.192) 6.234 5.387 ( 1.675 5.010 0.842) 5.350 5.569 ( -6.622 0.848 1.018) 6.753 5.640 ( -0.024 1.189 0.285) 1.223 5.703 ( -0.421 -0.805 -0.435) 1.008 5.785 ( 2.141 1.907 1.557) 3.263 6.005 ( -5.661 -3.182 1.172) 6.599 6.281 ( -6.827 -13.939 -2.262) 15.685 6.646 ( 2.783 2.419 -2.015) 4.202 6.890 ( 0.704 -4.912 -2.203) 5.429 7.742 ( -5.191 0.496 -3.603) 6.338 7.932 ( -5.068 -3.126 0.968) 6.033 12.225 ( -1.048 1.023 0.419) 1.524 12.243 ( -1.441 2.171 -0.608) 2.676 12.304 ( -0.993 0.027 1.515) 1.812 12.420 ( 0.656 -1.545 -0.100) 1.682 12.546 ( -0.885 1.441 0.877) 1.905 12.571 ( -0.661 0.297 -1.009) 1.243 13.470 ( -1.242 3.007 0.388) 3.277 13.662 ( 0.371 -1.048 -1.670) 2.006 15.843 ( 0.290 3.869 1.053) 4.020 16.011 ( 0.885 -2.036 0.884) 2.389 16.610 ( 0.765 0.741 0.277) 1.101 16.664 ( 0.536 -0.503 -0.648) 0.980 16.763 ( -0.662 1.564 0.329) 1.730 16.935 ( 0.598 -1.796 -0.189) 1.903 17.021 ( -0.089 2.197 -1.416) 2.615 17.064 ( 0.127 0.598 -0.693) 0.924 17.822 ( -1.043 1.416 2.430) 3.000 17.839 ( -1.731 0.469 -0.353) 1.828 17.932 ( 0.252 -0.270 -0.882) 0.956 17.996 ( 1.126 -1.262 0.619) 1.801 24.796 ( -2.301 2.185 -0.433) 3.203 25.024 ( -0.483 -5.479 1.490) 5.699 25.244 ( -1.140 9.941 -4.500) 10.971 25.468 ( 0.141 1.867 -3.353) 3.841 28.260 ( 0.426 0.522 -0.426) 0.797 28.285 ( -0.176 -0.048 0.324) 0.372 28.436 ( 0.645 1.264 -0.228) 1.438 28.496 ( 0.049 0.075 -0.003) 0.090 28.758 ( -1.563 0.562 3.384) 3.769 28.906 ( -1.332 -3.105 -0.997) 3.522 30.709 ( 2.101 4.097 0.842) 4.680 30.849 ( 2.763 1.772 0.327) 3.299 33.194 ( -10.501 3.157 13.465) 17.365 33.402 ( -8.195 -3.327 14.779) 17.224 34.195 ( -8.176 3.991 -9.250) 12.974 34.501 ( -11.567 -6.800 -8.477) 15.871 35.799 ( 1.307 0.745 -1.988) 2.493 35.979 ( 1.980 -4.871 -1.397) 5.440 36.356 ( 6.176 10.458 1.431) 12.230 36.792 ( 1.308 -0.971 2.632) 3.095 39.430 ( 4.147 1.728 3.026) 5.417 39.824 ( 13.736 -11.330 -8.137) 19.577 40.702 ( 0.411 3.649 1.840) 4.107 40.954 ( 3.284 -2.911 -0.226) 4.394 76.539 ( -1.475 4.380 0.959) 4.720 76.798 ( -0.251 -3.642 2.018) 4.171 79.883 ( -12.006 24.911 -3.407) 27.862 80.413 ( -1.932 6.973 -15.783) 17.362 ======================= Grid point 102 (50/136) ======================= q-point: ( 0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 13.674 7.815 6.318) 16.970 1.756 ( 10.438 3.946 2.995) 11.554 1.838 ( 2.023 3.363 -10.931) 11.614 2.179 ( 5.262 -7.495 -6.958) 11.502 2.216 ( 5.006 -3.147 -7.465) 9.523 2.459 ( 4.890 -5.608 3.382) 8.173 2.587 ( -1.929 -2.166 4.599) 5.437 2.732 ( -0.598 -2.031 -3.863) 4.405 2.750 ( 5.219 2.227 10.899) 12.288 2.801 ( -0.304 3.535 7.542) 8.334 2.938 ( 4.594 6.018 -1.600) 7.738 3.219 ( 3.067 1.041 0.943) 3.373 3.270 ( 0.084 -0.338 -3.708) 3.724 3.393 ( 3.052 -3.028 0.051) 4.299 3.560 ( -7.129 6.933 0.175) 9.946 3.889 ( -0.219 5.218 0.268) 5.230 3.969 ( 1.770 -0.911 1.293) 2.374 4.105 ( -3.550 3.847 1.775) 5.528 4.215 ( 3.169 -6.847 0.786) 7.586 4.345 ( -1.367 -0.553 3.407) 3.712 4.471 ( -0.367 -6.183 -1.176) 6.305 4.684 ( -5.002 -2.893 1.763) 6.042 4.791 ( 3.089 -1.345 -4.522) 5.639 4.955 ( 1.984 -3.526 0.476) 4.074 5.132 ( -5.595 6.047 -5.668) 10.000 5.427 ( 0.401 3.948 0.909) 4.072 5.448 ( -7.573 1.013 3.601) 8.446 5.594 ( -4.909 -1.708 0.019) 5.197 5.709 ( -0.370 1.206 0.660) 1.423 5.837 ( 1.904 1.551 1.932) 3.125 5.891 ( -5.019 -3.257 -3.040) 6.711 6.168 ( -3.389 -12.742 -3.115) 13.548 6.692 ( 3.604 1.678 -1.904) 4.408 6.870 ( -1.391 -3.035 -1.040) 3.497 7.631 ( -4.143 1.860 -3.080) 5.488 7.843 ( -5.893 -2.892 1.762) 6.797 12.199 ( -1.800 0.530 0.271) 1.896 12.219 ( -0.669 1.590 -1.241) 2.125 12.301 ( -0.705 0.584 2.086) 2.278 12.433 ( 0.688 -1.496 0.095) 1.649 12.533 ( -1.204 1.209 0.652) 1.827 12.552 ( -0.553 0.339 -1.212) 1.375 13.453 ( -1.018 3.157 0.681) 3.386 13.667 ( 0.933 -2.012 -0.613) 2.301 15.859 ( 0.814 4.407 0.706) 4.537 16.037 ( 1.331 -1.902 0.536) 2.383 16.628 ( 0.855 0.477 0.566) 1.131 16.665 ( 0.140 -0.149 -0.706) 0.735 16.767 ( 0.222 0.237 1.164) 1.209 16.935 ( -0.580 -2.548 -0.247) 2.624 17.010 ( -0.094 2.203 -1.017) 2.429 17.059 ( -0.113 0.794 -0.502) 0.946 17.810 ( -1.878 1.612 1.337) 2.813 17.815 ( -0.760 1.170 0.047) 1.396 17.927 ( -0.045 0.070 -0.996) 0.999 18.020 ( 1.094 -1.649 0.183) 1.988 24.758 ( -1.638 2.451 -0.154) 2.952 25.022 ( -0.729 -6.373 1.063) 6.502 25.213 ( 0.033 8.207 -1.893) 8.423 25.445 ( -0.273 1.156 -2.354) 2.637 28.268 ( 0.777 0.571 -0.553) 1.111 28.284 ( 0.016 0.374 -0.006) 0.374 28.443 ( 0.274 1.231 -0.304) 1.297 28.491 ( -0.564 0.379 0.181) 0.703 28.747 ( -1.935 0.910 2.599) 3.366 28.879 ( -0.912 -2.517 -0.755) 2.781 30.756 ( 2.076 4.230 1.210) 4.864 30.909 ( 2.705 1.059 1.670) 3.351 33.098 ( -9.120 3.813 9.505) 13.714 33.337 ( -9.679 -3.411 12.099) 15.865 34.000 ( -6.222 2.075 -7.905) 10.272 34.224 ( -11.895 -6.483 -8.814) 16.162 35.824 ( 2.982 2.167 -1.876) 4.136 36.028 ( 4.483 -4.693 -1.325) 6.624 36.495 ( 7.559 8.928 1.041) 11.744 36.821 ( 0.149 1.482 2.266) 2.711 39.527 ( 3.818 0.584 3.235) 5.038 39.972 ( 9.414 -12.393 -8.026) 17.511 40.728 ( 0.637 3.746 2.571) 4.588 41.006 ( 2.266 -3.456 0.268) 4.142 76.525 ( -0.591 4.578 0.590) 4.653 76.799 ( -1.343 -3.798 1.973) 4.486 79.732 ( -5.402 18.938 2.032) 19.798 80.261 ( -4.138 2.499 -9.985) 11.093 ======================= Grid point 103 (51/136) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 9.532 9.087 3.585) 13.649 1.787 ( 9.471 1.779 -12.866) 16.074 1.954 ( 5.800 8.865 2.320) 10.844 2.192 ( 4.066 -2.222 -7.808) 9.080 2.306 ( 5.389 -4.893 -2.224) 7.611 2.540 ( -0.435 -3.545 5.613) 6.653 2.606 ( 1.018 -2.519 4.854) 5.563 2.684 ( -2.450 -3.697 1.868) 4.812 2.834 ( -0.932 0.484 -1.198) 1.593 2.838 ( -1.787 4.735 6.391) 8.152 3.068 ( 7.351 1.641 4.732) 8.895 3.211 ( -1.321 0.314 -3.589) 3.837 3.297 ( 2.635 -1.506 -1.147) 3.244 3.439 ( -1.530 0.461 1.298) 2.059 3.454 ( -0.005 2.866 0.675) 2.945 3.868 ( -1.010 5.546 -0.611) 5.670 4.045 ( 2.196 -2.998 2.568) 4.517 4.092 ( 2.013 -0.169 0.801) 2.173 4.251 ( 0.120 -7.177 -2.547) 7.616 4.328 ( 0.281 2.096 1.011) 2.344 4.475 ( 0.301 -7.509 -0.443) 7.529 4.574 ( -5.614 -2.062 -2.077) 6.331 4.795 ( -1.996 1.400 1.645) 2.941 4.970 ( -4.673 -2.233 2.086) 5.583 5.050 ( 1.845 2.618 -2.857) 4.292 5.355 ( -5.279 -0.146 4.535) 6.961 5.408 ( -1.870 -0.155 -3.233) 3.738 5.502 ( -3.317 -2.980 -1.373) 4.666 5.682 ( -2.248 1.091 0.377) 2.527 5.831 ( 0.416 -2.051 -1.678) 2.682 5.883 ( 2.040 2.062 0.606) 2.963 6.103 ( -1.439 -8.305 -3.606) 9.168 6.733 ( 1.724 0.927 -0.972) 2.185 6.836 ( -1.698 -0.817 0.100) 1.887 7.560 ( -1.513 2.961 -2.102) 3.934 7.753 ( -5.234 -2.212 1.254) 5.819 12.172 ( -1.246 0.254 0.142) 1.280 12.199 ( -0.436 0.524 -1.525) 1.671 12.308 ( -0.466 1.178 2.463) 2.770 12.445 ( 0.622 -1.385 0.092) 1.522 12.513 ( -1.427 1.077 0.393) 1.831 12.538 ( -0.018 0.238 -1.103) 1.128 13.444 ( -0.673 3.178 1.256) 3.482 13.680 ( 0.815 -2.964 -0.385) 3.098 15.880 ( 0.880 4.658 0.703) 4.792 16.061 ( 1.039 -1.750 -0.037) 2.036 16.645 ( 0.393 0.374 0.592) 0.803 16.663 ( 0.227 -0.311 -0.425) 0.573 16.779 ( 0.161 -0.375 1.074) 1.149 16.913 ( -1.208 -2.547 -0.749) 2.917 17.004 ( 0.005 2.191 -0.490) 2.245 17.055 ( -0.049 0.727 -0.178) 0.750 17.784 ( -1.848 1.941 0.967) 2.849 17.803 ( -0.377 0.678 -0.469) 0.906 17.920 ( 0.092 0.804 -0.742) 1.098 18.036 ( 0.736 -1.733 -0.533) 1.956 24.736 ( -0.848 2.482 0.521) 2.674 25.013 ( -0.778 -6.842 -0.088) 6.887 25.211 ( 0.418 6.653 -0.206) 6.669 25.426 ( -0.202 0.663 -1.767) 1.898 28.275 ( 0.135 0.750 -0.026) 0.763 28.289 ( 0.962 0.437 -0.819) 1.337 28.443 ( 0.080 1.026 -0.240) 1.057 28.480 ( -0.982 0.317 0.430) 1.118 28.730 ( -1.632 1.641 1.908) 2.999 28.863 ( -0.411 -2.044 -0.582) 2.165 30.797 ( 1.183 4.040 1.925) 4.629 30.959 ( 1.317 0.278 1.692) 2.162 33.015 ( -6.354 2.954 6.410) 9.497 33.243 ( -9.335 -3.734 9.826) 14.058 33.869 ( -2.480 0.671 -6.557) 7.042 33.978 ( -7.470 -3.848 -8.997) 12.310 35.872 ( 3.038 3.200 -0.318) 4.424 36.105 ( 4.433 -4.592 -0.625) 6.414 36.623 ( 6.162 6.995 -0.406) 9.331 36.829 ( -0.950 2.850 1.483) 3.350 39.604 ( 2.096 -0.213 2.997) 3.663 40.054 ( 6.068 -12.341 -7.095) 15.474 40.759 ( 0.369 3.549 3.275) 4.843 41.036 ( 0.861 -3.720 0.242) 3.826 76.527 ( 0.278 4.303 0.556) 4.347 76.778 ( -2.271 -3.410 1.166) 4.260 79.686 ( -2.913 13.923 4.263) 14.850 80.138 ( -2.582 0.089 -6.191) 6.708 ======================= Grid point 104 (52/136) ======================= q-point: ( 0.45 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 3.300 9.416 0.652) 9.999 1.978 ( 11.461 1.953 -4.321) 12.403 2.078 ( 8.173 8.466 0.776) 11.793 2.204 ( 2.309 0.158 -3.519) 4.212 2.341 ( 0.652 -1.382 -2.458) 2.895 2.500 ( -9.680 0.400 5.873) 11.329 2.612 ( -4.802 -2.593 -1.320) 5.615 2.664 ( -1.007 -3.511 5.388) 6.509 2.818 ( 0.288 -3.369 0.923) 3.505 2.859 ( 1.747 0.544 3.284) 3.759 3.135 ( -2.861 -1.429 -2.818) 4.262 3.199 ( 1.783 0.977 2.368) 3.121 3.331 ( 2.586 3.011 -1.071) 4.111 3.410 ( -2.166 1.546 0.387) 2.689 3.489 ( 0.975 -4.145 1.285) 4.448 3.855 ( 0.118 5.985 -0.856) 6.047 4.065 ( -4.018 1.413 -2.048) 4.726 4.113 ( 3.496 -8.083 2.037) 9.039 4.279 ( 5.019 -0.399 -3.496) 6.130 4.365 ( 2.218 -1.056 0.749) 2.568 4.452 ( -0.743 -4.287 -4.243) 6.077 4.495 ( -0.576 -3.530 -0.713) 3.647 4.759 ( -4.483 -0.331 4.164) 6.127 4.875 ( -6.790 -0.986 3.181) 7.563 5.056 ( -0.675 0.836 1.019) 1.481 5.320 ( -3.482 -1.381 1.653) 4.094 5.354 ( 1.809 -2.342 -4.717) 5.568 5.490 ( 2.617 -5.500 -0.771) 6.140 5.661 ( -0.804 3.911 1.607) 4.304 5.852 ( 1.587 -1.609 0.033) 2.260 5.909 ( 0.770 2.189 -0.841) 2.468 6.063 ( -0.057 -6.443 -3.524) 7.344 6.738 ( -0.578 1.468 0.670) 1.714 6.820 ( -0.108 -0.490 -0.311) 0.590 7.549 ( 1.281 3.056 -0.542) 3.358 7.680 ( -3.173 -1.058 -0.112) 3.346 12.157 ( -0.578 0.012 -0.007) 0.579 12.186 ( 0.381 -0.099 -1.531) 1.580 12.317 ( -0.667 1.431 2.741) 3.163 12.456 ( 0.530 -1.588 -0.053) 1.674 12.491 ( -1.164 1.464 0.251) 1.887 12.534 ( 0.410 0.072 -0.944) 1.031 13.448 ( -0.291 3.025 1.974) 3.624 13.686 ( 0.226 -3.262 -0.753) 3.355 15.898 ( 0.429 4.486 1.000) 4.616 16.069 ( 0.103 -1.523 -0.829) 1.737 16.650 ( -0.165 0.262 0.366) 0.480 16.667 ( 0.327 -0.507 -0.103) 0.612 16.785 ( -0.264 -0.464 0.757) 0.926 16.890 ( -0.487 -2.076 -1.131) 2.414 17.006 ( 0.357 2.000 0.244) 2.047 17.053 ( -0.072 0.645 -0.192) 0.677 17.760 ( -1.282 1.886 0.337) 2.305 17.796 ( 0.070 0.249 -0.592) 0.646 17.922 ( 0.448 1.273 -0.156) 1.358 18.037 ( 0.166 -1.540 -1.325) 2.038 24.735 ( -0.079 2.297 1.417) 2.700 24.993 ( -0.727 -6.229 -1.412) 6.429 25.223 ( 0.581 5.246 0.943) 5.362 25.414 ( 0.268 0.430 -1.592) 1.671 28.275 ( -0.097 1.115 0.001) 1.120 28.302 ( 1.077 0.182 -0.869) 1.395 28.444 ( 0.125 0.631 -0.048) 0.646 28.463 ( -1.143 0.310 0.260) 1.212 28.719 ( -0.969 2.234 1.597) 2.912 28.855 ( 0.053 -1.737 -0.537) 1.819 30.826 ( 0.281 3.597 2.790) 4.561 30.978 ( -0.261 -0.045 1.006) 1.041 32.965 ( -3.713 2.121 4.390) 6.128 33.158 ( -6.917 -3.731 7.773) 11.054 33.800 ( -0.116 0.191 -7.880) 7.883 33.864 ( 1.444 -2.050 -5.485) 6.031 35.922 ( 1.853 3.825 1.573) 4.532 36.161 ( 1.821 -3.939 -0.410) 4.359 36.705 ( 3.855 5.119 -1.522) 6.587 36.802 ( -3.031 3.507 0.332) 4.647 39.643 ( -0.124 -0.386 2.627) 2.658 40.093 ( 3.912 -12.347 -6.277) 14.393 40.787 ( -0.202 3.019 4.030) 5.039 41.042 ( -0.130 -3.635 -0.234) 3.645 76.541 ( 0.547 3.634 1.100) 3.836 76.740 ( -2.144 -2.568 -0.273) 3.356 79.675 ( -2.077 11.793 4.579) 12.820 80.092 ( 1.593 -1.341 -3.404) 3.991 ======================= Grid point 105 (53/136) ======================= q-point: (-0.45 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -7.767 6.776 -2.047) 10.509 2.107 ( 1.510 1.518 1.924) 2.878 2.217 ( 5.390 -1.055 -0.717) 5.539 2.277 ( 4.357 7.395 1.514) 8.716 2.304 ( -6.402 2.812 2.112) 7.304 2.356 ( 1.440 -2.316 -2.361) 3.607 2.502 ( -5.194 -5.708 -0.711) 7.750 2.674 ( -1.561 -1.518 3.152) 3.831 2.803 ( -4.242 -2.661 2.575) 5.631 2.912 ( -3.413 -5.744 -0.194) 6.684 3.011 ( -2.854 3.305 -1.468) 4.607 3.234 ( 0.762 2.146 -0.199) 2.286 3.330 ( -1.384 -4.166 -1.726) 4.717 3.408 ( 1.021 6.049 0.907) 6.202 3.520 ( 1.569 -1.444 3.422) 4.032 3.842 ( -0.338 4.348 -3.611) 5.662 3.988 ( -1.753 5.289 0.067) 5.572 4.194 ( 1.842 -8.785 2.175) 9.236 4.294 ( -2.557 -2.960 -2.465) 4.624 4.333 ( -1.117 1.819 -2.401) 3.212 4.494 ( 2.574 -2.979 0.602) 3.983 4.540 ( 8.315 -2.462 -4.079) 9.583 4.693 ( -6.929 -3.870 5.285) 9.535 4.804 ( -0.633 -0.957 -0.316) 1.190 5.097 ( 5.191 0.786 1.466) 5.451 5.263 ( -2.516 -0.346 -0.580) 2.605 5.387 ( 2.936 -1.619 -1.281) 3.589 5.551 ( 3.413 -6.551 0.603) 7.411 5.670 ( 0.028 5.693 2.216) 6.109 5.871 ( 0.214 -1.206 0.952) 1.551 5.897 ( -0.878 1.513 -1.606) 2.374 6.048 ( 1.075 -7.758 -4.198) 8.887 6.745 ( 1.303 1.828 0.800) 2.383 6.818 ( 0.135 -1.196 -0.411) 1.272 7.590 ( 2.455 1.828 1.258) 3.310 7.646 ( 0.663 0.196 -1.668) 1.806 12.153 ( 0.246 -0.011 -0.184) 0.307 12.191 ( 1.271 -0.256 -1.365) 1.883 12.322 ( -1.080 1.365 2.984) 3.454 12.456 ( -0.671 -1.609 -0.048) 1.744 12.483 ( 0.356 1.761 -0.162) 1.804 12.539 ( 0.797 -0.112 -0.690) 1.060 13.462 ( 0.004 2.710 2.689) 3.818 13.678 ( -0.219 -2.712 -1.245) 2.992 15.908 ( -0.361 3.871 1.464) 4.155 16.053 ( -0.858 -1.248 -1.496) 2.129 16.645 ( -0.541 0.209 0.154) 0.600 16.673 ( 0.311 -0.473 0.137) 0.583 16.780 ( -0.805 -0.175 0.547) 0.989 16.885 ( 0.915 -1.747 -1.185) 2.301 17.019 ( 0.593 1.741 0.691) 1.965 17.050 ( 0.084 0.819 -0.356) 0.897 17.745 ( -0.449 1.833 -0.234) 1.902 17.798 ( 0.506 0.055 -0.470) 0.693 17.933 ( 0.662 1.210 0.413) 1.440 18.023 ( -0.385 -1.119 -1.976) 2.303 24.753 ( 0.507 1.877 2.251) 2.974 24.969 ( -0.403 -4.694 -2.361) 5.269 25.244 ( 0.726 4.276 1.588) 4.619 25.413 ( 1.026 0.496 -1.713) 2.057 28.273 ( -0.076 1.351 -0.087) 1.356 28.310 ( 0.354 0.099 -0.682) 0.775 28.443 ( -0.541 0.432 -0.319) 0.762 28.450 ( 0.084 0.154 0.225) 0.285 28.719 ( -0.446 2.432 1.550) 2.918 28.857 ( 0.582 -1.649 -0.476) 1.812 30.849 ( -0.460 3.028 3.858) 4.926 30.967 ( -1.431 0.381 0.380) 1.529 32.941 ( -2.167 2.042 3.356) 4.487 33.117 ( -3.152 -3.373 5.986) 7.559 33.780 ( 4.736 1.609 -7.543) 9.050 33.921 ( 8.063 -2.900 -3.906) 9.417 35.955 ( -0.129 3.686 3.051) 4.787 36.159 ( -1.468 -2.951 -0.912) 3.420 36.719 ( -5.635 4.329 -1.068) 7.185 36.743 ( 1.468 3.013 -1.487) 3.666 39.637 ( -2.443 0.181 2.331) 3.381 40.106 ( 2.446 -12.810 -5.717) 14.239 40.809 ( -0.955 2.260 4.949) 5.524 41.031 ( -0.621 -3.284 -0.821) 3.441 76.557 ( -0.177 2.755 1.950) 3.380 76.705 ( -0.643 -1.590 -1.678) 2.399 79.677 ( -1.111 12.773 4.141) 13.473 80.153 ( 7.044 -2.334 -1.010) 7.489 ======================= Grid point 106 (54/136) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -14.235 3.334 -4.737) 15.368 1.957 ( -14.583 4.416 -0.272) 15.239 2.185 ( -7.819 -6.067 -1.826) 10.064 2.270 ( -3.310 -3.190 0.753) 4.658 2.309 ( 2.953 -2.211 -1.522) 3.991 2.410 ( 1.397 -5.002 -3.807) 6.439 2.541 ( 2.256 0.494 7.358) 7.713 2.627 ( -3.937 -1.078 0.622) 4.129 2.726 ( -3.795 0.692 -5.367) 6.609 2.782 ( -1.304 1.844 4.419) 4.963 3.074 ( 2.328 2.380 5.822) 6.706 3.222 ( -1.419 1.826 -0.581) 2.384 3.296 ( -1.308 1.389 -1.735) 2.579 3.412 ( -0.178 2.426 -0.344) 2.456 3.559 ( -1.326 2.472 3.221) 4.271 3.829 ( 3.330 3.324 -2.147) 5.172 4.028 ( 3.863 4.094 3.207) 6.479 4.132 ( -6.738 -0.225 -0.198) 6.745 4.237 ( -3.960 -10.041 -1.205) 10.860 4.312 ( -1.009 1.989 0.718) 2.343 4.524 ( -0.626 -5.053 1.534) 5.318 4.597 ( 0.443 -1.912 -1.622) 2.546 4.692 ( 6.934 -1.146 -1.818) 7.259 4.864 ( 7.486 -1.864 -2.333) 8.060 5.217 ( -1.283 2.470 -2.008) 3.432 5.257 ( 9.356 0.185 2.938) 9.808 5.413 ( -0.573 0.326 1.126) 1.305 5.606 ( 1.729 -4.908 1.803) 5.507 5.690 ( 0.912 4.763 1.118) 4.977 5.840 ( -2.901 0.954 -1.415) 3.366 5.908 ( 2.051 -2.421 1.175) 3.384 6.023 ( 0.462 -9.920 -6.520) 11.880 6.797 ( 3.660 0.319 0.087) 3.675 6.819 ( 0.308 -0.969 -0.138) 1.026 7.627 ( 2.476 0.937 -1.424) 3.006 7.704 ( 5.068 -0.209 1.140) 5.199 12.164 ( 1.148 0.200 -0.205) 1.183 12.210 ( 1.799 0.037 -1.205) 2.166 12.322 ( -1.414 0.959 3.117) 3.554 12.440 ( -0.878 -0.958 -0.122) 1.305 12.492 ( 0.792 1.440 -0.574) 1.741 12.552 ( 1.093 -0.331 -0.391) 1.208 13.485 ( 0.075 2.301 3.169) 3.917 13.665 ( 0.031 -1.603 -1.440) 2.155 15.906 ( -1.199 3.055 1.913) 3.799 16.021 ( -1.253 -1.009 -1.679) 2.326 16.634 ( -0.712 0.208 0.118) 0.751 16.679 ( 0.241 -0.576 0.208) 0.658 16.769 ( -0.679 0.704 0.730) 1.221 16.900 ( 1.439 -1.588 -1.118) 2.417 17.028 ( -0.019 1.474 0.046) 1.474 17.058 ( 0.999 1.258 0.110) 1.610 17.740 ( 0.147 1.846 -0.648) 1.962 17.808 ( 0.941 0.051 -0.160) 0.956 17.949 ( 0.541 0.862 0.738) 1.257 17.997 ( -0.701 -0.516 -2.280) 2.441 24.783 ( 0.807 1.383 2.690) 3.131 24.948 ( 0.245 -2.859 -2.700) 3.940 25.272 ( 1.136 4.136 1.838) 4.667 25.426 ( 1.960 0.863 -2.032) 2.952 28.271 ( -0.074 1.358 -0.276) 1.388 28.304 ( -0.547 0.203 -0.421) 0.720 28.432 ( 0.047 0.573 -1.166) 1.300 28.457 ( 0.162 -0.288 0.599) 0.684 28.723 ( -0.318 2.437 1.532) 2.896 28.871 ( 1.277 -1.840 -0.244) 2.253 30.861 ( -1.861 2.341 4.279) 5.221 30.942 ( -1.433 1.347 1.176) 2.291 32.933 ( -1.471 2.818 3.278) 4.566 33.128 ( -0.132 -3.007 4.639) 5.530 33.862 ( 10.065 3.245 -6.681) 12.508 34.085 ( 13.082 -3.897 -3.829) 14.177 35.955 ( -2.504 2.480 3.105) 4.697 36.102 ( -3.565 -2.357 -1.615) 4.569 36.584 ( -7.894 4.859 -1.611) 9.409 36.745 ( -0.364 1.943 -1.074) 2.250 39.590 ( -4.558 1.336 2.162) 5.218 40.098 ( 0.974 -13.928 -5.309) 14.938 40.823 ( -1.921 1.383 5.902) 6.359 41.009 ( -0.956 -2.822 -1.221) 3.219 76.560 ( -1.029 2.093 2.104) 3.141 76.697 ( 1.043 -0.969 -1.819) 2.310 79.703 ( 1.216 16.806 3.542) 17.218 80.330 ( 12.635 -3.059 1.046) 13.042 ======================= Grid point 107 (55/136) ======================= q-point: (-0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -14.923 5.374 -1.445) 15.927 1.681 ( -13.268 8.286 -4.963) 16.412 2.008 ( -8.176 -12.674 -3.151) 15.408 2.146 ( -9.741 0.471 -0.465) 9.764 2.305 ( -0.880 -2.160 -2.866) 3.695 2.342 ( -8.529 -8.294 1.905) 12.048 2.530 ( -3.644 0.418 -4.302) 5.653 2.592 ( 2.498 1.293 -0.731) 2.906 2.743 ( 2.684 2.828 3.757) 5.415 2.860 ( 3.940 -0.287 4.398) 5.912 3.086 ( -6.627 -0.383 2.748) 7.185 3.160 ( -2.415 0.090 0.309) 2.436 3.304 ( 1.894 6.821 0.239) 7.083 3.404 ( -1.415 0.813 1.729) 2.378 3.601 ( 6.243 8.542 1.938) 10.756 3.872 ( -1.406 0.697 0.225) 1.586 4.049 ( 0.914 -0.250 1.033) 1.401 4.089 ( -5.638 -3.592 -1.188) 6.790 4.173 ( 2.318 -4.439 3.199) 5.943 4.293 ( -1.360 6.456 1.793) 6.836 4.523 ( 0.290 -9.934 2.205) 10.180 4.636 ( 4.428 0.062 -3.063) 5.385 4.793 ( 4.882 0.070 -1.883) 5.233 4.989 ( 5.745 -0.939 0.593) 5.851 5.187 ( 0.370 3.914 -2.506) 4.662 5.344 ( -3.617 1.545 -0.801) 4.014 5.462 ( 6.735 -1.410 0.354) 6.890 5.636 ( -0.131 -2.850 2.051) 3.514 5.727 ( 1.850 1.678 2.515) 3.544 5.778 ( -2.057 1.307 -1.118) 2.682 5.907 ( -1.123 -7.470 -4.914) 9.012 6.046 ( 7.359 -4.956 -3.044) 9.380 6.811 ( -1.232 -1.101 1.339) 2.127 6.873 ( 4.305 -0.859 -1.787) 4.740 7.682 ( 5.750 0.999 -3.462) 6.786 7.813 ( 5.221 -2.431 2.730) 6.374 12.189 ( 1.760 0.546 -0.087) 1.845 12.236 ( 1.918 0.605 -0.962) 2.230 12.317 ( -1.615 0.393 2.900) 3.342 12.426 ( -0.491 -1.030 -0.120) 1.148 12.500 ( 0.666 1.676 -0.755) 1.955 12.570 ( 1.082 -0.494 -0.291) 1.224 13.507 ( -0.186 1.963 3.077) 3.655 13.664 ( 1.077 -0.687 -1.304) 1.825 15.894 ( -1.846 2.418 2.174) 3.739 15.990 ( -0.941 -0.926 -1.272) 1.833 16.623 ( -0.739 0.228 0.230) 0.807 16.680 ( -0.280 -1.016 -0.080) 1.057 16.776 ( 0.627 1.982 1.652) 2.656 16.913 ( 0.872 -1.339 -1.150) 1.969 17.026 ( 0.170 1.719 -0.644) 1.843 17.080 ( 1.049 1.204 0.213) 1.611 17.740 ( 0.385 1.946 -0.758) 2.124 17.829 ( 1.391 -0.037 0.348) 1.434 17.959 ( 0.018 0.651 0.319) 0.725 17.969 ( -0.556 0.159 -1.624) 1.724 24.819 ( 1.050 1.097 2.623) 3.031 24.940 ( 0.918 -1.442 -2.540) 3.062 25.315 ( 2.344 4.776 1.543) 5.540 25.454 ( 2.872 1.514 -2.499) 4.097 28.266 ( -0.047 1.022 -0.577) 1.175 28.289 ( -0.809 0.276 -0.106) 0.861 28.426 ( 0.293 0.622 -1.679) 1.814 28.460 ( -0.394 -0.363 0.669) 0.857 28.728 ( -0.410 2.512 1.519) 2.964 28.899 ( 1.871 -2.346 0.109) 3.003 30.829 ( -4.006 2.747 2.056) 5.274 30.951 ( -0.217 0.648 4.972) 5.019 32.939 ( -1.004 3.844 4.885) 6.296 33.169 ( 0.882 -2.810 4.176) 5.110 34.037 ( 14.288 5.170 -5.997) 16.335 34.327 ( 17.012 -3.483 -3.952) 17.809 35.908 ( -4.203 0.561 1.035) 4.364 36.016 ( -4.469 -3.242 -2.336) 5.995 36.432 ( -7.549 6.584 -0.948) 10.062 36.716 ( -2.177 1.127 -0.644) 2.535 39.510 ( -5.957 2.660 2.083) 6.848 40.058 ( -1.610 -15.776 -4.903) 16.598 40.823 ( -3.235 0.603 6.332) 7.136 40.978 ( -1.425 -2.428 -1.347) 3.121 76.557 ( -0.735 2.055 1.943) 2.922 76.710 ( 1.449 -1.098 -1.090) 2.120 79.786 ( 6.084 23.135 2.145) 24.018 80.613 ( 17.282 -3.602 2.149) 17.784 ======================= Grid point 108 (56/136) ======================= q-point: (-0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -6.823 14.785 5.914) 17.324 1.416 ( -13.322 13.974 -2.871) 19.519 1.834 ( -13.252 5.583 0.362) 14.384 1.978 ( -4.075 -5.214 -2.736) 7.161 2.208 ( -6.064 -2.924 1.090) 6.820 2.290 ( 0.159 -7.648 -1.181) 7.740 2.385 ( -4.879 -4.543 -6.138) 9.062 2.642 ( -1.852 -5.231 -2.513) 6.092 2.774 ( 2.549 3.776 0.035) 4.556 2.956 ( 2.994 -0.189 2.421) 3.855 3.020 ( -0.741 0.877 4.871) 5.004 3.135 ( -2.080 -1.293 1.799) 3.039 3.297 ( -2.359 1.934 -0.758) 3.143 3.389 ( -2.705 0.371 1.932) 3.345 3.759 ( 4.452 8.158 0.296) 9.298 3.820 ( 1.197 6.357 1.097) 6.561 3.965 ( -3.677 -3.394 -3.302) 5.995 4.133 ( 4.790 -2.497 1.512) 5.609 4.196 ( -1.986 -1.740 2.069) 3.354 4.357 ( 4.015 4.098 6.022) 8.317 4.553 ( 0.496 -9.316 2.079) 9.558 4.689 ( 3.538 0.091 -3.084) 4.694 4.823 ( 0.977 0.637 -3.408) 3.602 5.042 ( -3.153 2.414 6.519) 7.633 5.187 ( 0.191 2.667 0.001) 2.674 5.264 ( -2.512 -1.298 -5.682) 6.347 5.478 ( -1.517 -1.937 -5.652) 6.164 5.629 ( -1.426 -2.980 1.148) 3.497 5.725 ( -0.182 -3.645 -0.385) 3.670 5.797 ( 0.399 -2.329 0.166) 2.369 5.963 ( 11.342 2.178 0.313) 11.553 6.172 ( 7.607 -1.364 -2.503) 8.123 6.785 ( -3.193 -0.369 2.266) 3.933 6.912 ( 1.697 -2.439 -2.785) 4.073 7.779 ( 8.198 0.770 -4.954) 9.610 7.919 ( 4.097 -4.518 2.762) 6.695 12.221 ( 1.598 0.827 0.183) 1.808 12.263 ( 1.718 1.120 -0.606) 2.139 12.307 ( -1.460 0.089 2.234) 2.670 12.420 ( -0.148 -1.571 -0.202) 1.591 12.506 ( 0.536 2.039 -0.405) 2.147 12.585 ( 0.833 -0.545 -0.352) 1.056 13.520 ( -0.626 1.950 2.378) 3.138 13.685 ( 2.310 -1.010 -1.526) 2.947 15.873 ( -2.125 2.190 2.183) 3.753 15.973 ( -0.235 -1.167 -0.342) 1.238 16.612 ( -0.648 0.506 0.236) 0.856 16.670 ( -0.582 -0.898 -0.277) 1.105 16.814 ( 1.751 2.020 2.231) 3.482 16.914 ( 0.183 -0.873 -1.154) 1.459 17.026 ( 0.630 1.904 -1.247) 2.362 17.095 ( 0.620 0.802 -0.275) 1.050 17.743 ( 0.432 2.192 -0.217) 2.245 17.862 ( 1.635 -0.728 0.714) 1.927 17.947 ( 0.029 1.150 -1.454) 1.854 17.964 ( -0.423 0.418 0.838) 1.027 24.858 ( 1.129 0.807 2.476) 2.838 24.943 ( 1.461 -0.880 -2.384) 2.932 25.381 ( 4.538 5.288 -0.456) 6.983 25.491 ( 3.508 2.322 -3.285) 5.337 28.262 ( 0.095 0.464 -0.601) 0.765 28.277 ( -0.482 0.226 0.059) 0.535 28.417 ( 0.016 0.753 -1.452) 1.636 28.452 ( -1.023 -0.132 0.597) 1.191 28.731 ( -0.510 2.661 1.600) 3.147 28.935 ( 1.791 -3.080 0.269) 3.573 30.764 ( -4.221 3.685 1.264) 5.744 30.985 ( -0.814 -2.406 5.444) 6.007 32.978 ( -0.458 3.618 10.605) 11.215 33.216 ( 0.598 -2.668 5.091) 5.779 34.266 ( 15.121 7.014 -6.018) 17.722 34.645 ( 21.891 -1.516 -2.696) 22.108 35.839 ( -3.211 -0.927 -0.352) 3.361 35.897 ( -6.207 -5.040 -5.246) 9.563 36.318 ( -4.516 8.582 0.255) 9.701 36.659 ( -3.548 0.712 -0.623) 3.671 39.416 ( -5.856 3.645 1.960) 7.171 39.952 ( -7.300 -17.335 -4.204) 19.274 40.795 ( -4.598 0.651 5.357) 7.090 40.939 ( -1.853 -2.175 -1.337) 3.154 76.564 ( -0.244 2.327 2.157) 3.182 76.730 ( 1.322 -1.707 -0.459) 2.208 79.962 ( 13.495 28.444 -1.931) 31.543 80.953 ( 18.995 -4.618 -1.115) 19.580 ======================= Grid point 109 (57/136) ======================= q-point: (-0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.922 21.473 8.688) 23.244 1.170 ( -12.978 19.149 1.551) 23.185 1.596 ( -12.919 23.897 11.527) 29.510 1.962 ( 3.091 -10.153 -3.019) 11.034 2.110 ( -3.925 2.089 -3.476) 5.643 2.248 ( -0.898 -6.664 -5.110) 8.445 2.378 ( 3.417 -12.703 1.464) 13.236 2.516 ( -4.927 -6.862 -4.720) 9.677 2.873 ( 6.065 1.302 0.583) 6.231 2.968 ( -1.391 1.475 -0.500) 2.089 3.084 ( -0.037 -3.000 0.345) 3.020 3.120 ( 0.878 -0.160 4.774) 4.857 3.228 ( -4.317 0.516 -1.152) 4.498 3.305 ( -7.047 -3.774 0.258) 7.998 3.731 ( -1.097 3.758 -2.656) 4.731 3.889 ( 2.501 4.827 -4.338) 6.955 3.987 ( 6.119 6.736 0.233) 9.103 4.174 ( -1.492 0.880 2.967) 3.436 4.219 ( 2.869 0.403 1.268) 3.163 4.434 ( -0.825 -2.983 4.052) 5.098 4.548 ( -2.878 -9.729 0.583) 10.162 4.714 ( 2.014 2.343 -2.762) 4.144 4.822 ( 2.985 0.881 -3.976) 5.049 4.996 ( -5.952 4.244 7.784) 10.679 5.144 ( -3.107 -2.385 -7.081) 8.092 5.194 ( -2.575 -1.706 6.963) 7.618 5.442 ( 1.473 4.595 -2.464) 5.418 5.625 ( 0.951 -2.055 -0.879) 2.429 5.733 ( 0.541 -4.141 0.062) 4.177 5.819 ( 2.139 -4.533 0.583) 5.046 6.195 ( 12.189 3.518 -3.225) 13.090 6.253 ( 2.864 1.320 0.484) 3.190 6.730 ( -4.861 0.481 2.798) 5.630 6.896 ( -0.920 -3.912 -2.464) 4.714 7.883 ( 6.791 0.430 -5.538) 8.773 7.993 ( 2.633 -5.937 1.034) 6.576 12.241 ( 0.072 0.822 0.819) 1.163 12.285 ( 1.045 1.486 -0.369) 1.854 12.303 ( -0.249 0.151 1.303) 1.335 12.415 ( -0.085 -2.041 -0.722) 2.166 12.518 ( 0.662 2.138 0.743) 2.358 12.594 ( 0.474 -0.435 -0.460) 0.792 13.519 ( -0.989 2.188 1.574) 2.871 13.714 ( 2.287 -2.513 -3.039) 4.559 15.852 ( -1.900 2.334 2.029) 3.630 15.975 ( 0.156 -1.817 0.774) 1.981 16.604 ( -0.295 1.057 0.104) 1.103 16.658 ( -0.456 -0.489 -0.487) 0.827 16.853 ( 0.719 1.067 0.864) 1.550 16.908 ( 0.207 -0.570 -0.803) 1.006 17.029 ( 1.030 1.968 -1.991) 2.983 17.094 ( -0.222 0.331 -1.203) 1.267 17.756 ( 0.723 2.100 1.251) 2.549 17.890 ( 0.987 -1.768 0.334) 2.052 17.944 ( 0.047 1.062 -0.643) 1.242 17.966 ( 0.062 0.437 0.844) 0.952 24.885 ( -0.222 0.424 1.859) 1.920 24.962 ( 2.267 -1.481 -1.623) 3.157 25.454 ( 4.986 4.491 -4.506) 8.083 25.521 ( 2.988 2.884 -6.433) 7.657 28.261 ( 0.060 0.181 -0.025) 0.193 28.275 ( 0.229 -0.110 0.001) 0.255 28.411 ( 0.253 0.717 -0.182) 0.782 28.437 ( -0.883 0.259 0.749) 1.187 28.734 ( -0.561 2.687 1.871) 3.322 28.960 ( 0.789 -3.755 0.027) 3.837 30.706 ( -3.047 3.984 1.001) 5.115 30.973 ( -3.711 -4.860 1.043) 6.203 33.088 ( 0.015 -0.432 20.403) 20.407 33.267 ( 0.078 -2.439 7.814) 8.186 34.448 ( 9.796 8.245 -7.644) 14.912 35.060 ( 22.904 -7.100 -3.700) 24.263 35.728 ( -6.236 -1.477 -4.488) 7.824 35.811 ( 0.629 -1.508 -0.114) 1.638 36.280 ( -0.023 8.603 0.588) 8.623 36.586 ( -3.224 0.700 -1.638) 3.684 39.343 ( -3.254 3.946 1.598) 5.359 39.723 ( -14.736 -12.729 -2.393) 19.619 40.742 ( -4.223 2.187 2.986) 5.616 40.898 ( -1.405 -1.995 -1.315) 2.771 76.575 ( -0.395 2.656 2.120) 3.421 76.750 ( 1.006 -2.494 0.228) 2.699 80.212 ( 17.076 26.629 -8.493) 32.754 81.180 ( 9.672 -4.674 -17.348) 20.405 ======================= Grid point 110 (58/136) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -2.249 19.617 0.007) 19.746 1.527 ( -4.194 18.620 0.591) 19.095 1.777 ( 2.591 -12.985 0.096) 13.242 1.929 ( -5.217 -14.087 -0.221) 15.023 2.065 ( 5.280 9.021 12.500) 16.294 2.128 ( 2.748 1.416 1.614) 3.487 2.289 ( 0.858 0.217 -5.519) 5.590 2.363 ( 7.010 -7.555 -1.017) 10.356 2.867 ( -2.349 -0.928 -1.511) 2.943 2.897 ( -5.597 -2.414 -3.188) 6.878 3.045 ( -1.430 0.203 2.898) 3.238 3.059 ( -4.810 -1.415 1.451) 5.219 3.230 ( 2.257 1.513 -0.013) 2.717 3.239 ( 2.226 0.600 0.545) 2.369 3.803 ( 0.042 8.069 -0.730) 8.102 3.986 ( 3.778 -6.238 1.023) 7.365 4.105 ( -1.499 0.276 3.487) 3.806 4.170 ( 1.854 -0.865 -1.585) 2.588 4.220 ( -2.446 5.425 -2.259) 6.365 4.369 ( -1.474 -6.719 -4.216) 8.068 4.499 ( 0.936 10.601 -1.799) 10.793 4.687 ( 5.231 -7.284 -6.877) 11.301 4.860 ( -5.636 4.237 1.457) 7.200 4.959 ( -9.303 -5.232 6.933) 12.728 5.139 ( 1.337 1.306 7.143) 7.384 5.166 ( 5.133 -1.789 3.090) 6.253 5.561 ( 1.602 4.126 -0.403) 4.444 5.623 ( 2.273 -2.361 -1.616) 3.654 5.707 ( 1.413 1.655 1.146) 2.459 5.777 ( 1.977 -4.783 1.964) 5.536 6.277 ( -2.165 4.818 -4.131) 6.705 6.349 ( 1.247 -2.859 -1.846) 3.624 6.705 ( -2.148 2.771 0.166) 3.510 6.773 ( -1.109 -4.430 -0.887) 4.652 7.913 ( 0.790 0.499 -3.875) 3.986 7.946 ( 1.744 -3.085 -2.993) 4.638 12.268 ( -0.332 1.721 0.688) 1.883 12.296 ( -0.144 -1.032 0.529) 1.168 12.332 ( 0.105 1.916 -0.380) 1.956 12.371 ( 0.316 -2.138 -0.578) 2.237 12.568 ( 0.291 1.431 0.730) 1.633 12.588 ( 0.147 -0.656 0.048) 0.674 13.568 ( -0.672 3.761 0.085) 3.821 13.644 ( -0.012 -4.156 -1.569) 4.442 15.889 ( -0.843 2.704 1.899) 3.410 15.938 ( -0.481 -2.560 1.851) 3.195 16.624 ( -0.039 1.063 -0.293) 1.104 16.641 ( 0.058 -0.683 -0.494) 0.845 16.867 ( -0.910 1.477 -0.599) 1.835 16.893 ( 0.015 -1.222 -0.437) 1.297 17.064 ( 0.776 1.119 -1.689) 2.170 17.077 ( -0.078 -0.282 -1.190) 1.225 17.818 ( 0.485 2.117 1.311) 2.537 17.860 ( 0.114 -2.281 0.495) 2.337 17.949 ( -0.515 0.670 -0.134) 0.856 17.961 ( -0.476 -0.567 0.171) 0.760 24.898 ( -0.981 1.614 1.016) 2.145 24.938 ( -0.017 -2.618 1.004) 2.804 25.530 ( 0.335 1.503 -6.559) 6.737 25.533 ( 1.912 1.202 -6.950) 7.307 28.266 ( 0.019 0.274 0.036) 0.277 28.272 ( 0.177 -0.420 -0.010) 0.455 28.432 ( 0.329 0.802 0.831) 1.201 28.444 ( 0.597 -0.460 1.403) 1.592 28.798 ( -0.592 3.865 1.129) 4.069 28.879 ( -0.619 -4.534 0.180) 4.580 30.754 ( -1.062 4.391 -0.367) 4.533 30.830 ( -1.724 -3.584 -1.565) 4.274 33.224 ( -1.523 2.318 15.785) 16.027 33.280 ( -1.021 -3.179 12.838) 13.265 34.676 ( 0.626 11.050 -10.821) 15.479 34.896 ( -2.460 -11.903 -13.323) 18.034 35.758 ( 2.570 1.950 2.485) 4.073 35.812 ( 2.922 -3.461 2.105) 4.995 36.430 ( 0.214 6.157 1.138) 6.265 36.528 ( 2.322 -4.207 -0.209) 4.810 39.393 ( -0.597 3.243 0.807) 3.395 39.452 ( -1.611 -2.916 0.179) 3.337 40.768 ( -0.947 3.606 0.338) 3.744 40.831 ( -0.037 -3.011 -0.558) 3.062 76.639 ( -0.634 3.522 1.861) 4.033 76.706 ( -0.110 -3.526 1.679) 3.907 80.715 ( 1.582 16.044 -11.084) 19.564 80.950 ( -2.968 -7.821 -18.809) 20.585 ======================= Grid point 111 (59/136) ======================= q-point: ( 0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.539 21.018 1.930) 21.163 1.519 ( 2.664 13.537 3.589) 14.256 1.828 ( -0.547 -16.473 0.323) 16.485 1.868 ( 1.431 -12.493 3.510) 13.056 2.173 ( 1.792 2.486 -4.683) 5.596 2.207 ( 4.011 -0.637 -2.441) 4.738 2.360 ( 8.998 9.076 6.297) 14.247 2.498 ( 6.795 -6.791 0.652) 9.629 2.794 ( -3.145 -0.887 -0.988) 3.414 2.821 ( -1.501 -3.058 -3.463) 4.858 3.001 ( -2.071 3.645 2.057) 4.670 3.055 ( 0.750 -2.507 2.483) 3.607 3.272 ( 2.371 2.043 -0.291) 3.144 3.291 ( 2.346 -0.168 -0.458) 2.396 3.813 ( 1.262 8.585 1.089) 8.745 4.025 ( -3.214 -10.262 3.219) 11.225 4.078 ( -3.251 10.795 -6.902) 13.218 4.130 ( 0.015 4.631 3.714) 5.936 4.202 ( -2.107 -3.082 3.057) 4.825 4.305 ( -1.489 -8.883 -4.105) 9.898 4.511 ( 1.041 11.930 -0.605) 11.991 4.730 ( 4.544 -3.708 -7.607) 9.606 4.771 ( -3.056 -3.067 -1.571) 4.606 4.833 ( -7.621 -4.952 3.257) 9.655 5.256 ( 4.450 2.059 6.765) 8.355 5.305 ( 6.139 -3.725 3.784) 8.117 5.584 ( 0.897 3.318 0.811) 3.532 5.641 ( 0.355 -2.474 -0.200) 2.507 5.733 ( 0.086 3.315 2.031) 3.888 5.807 ( -0.521 -3.559 2.061) 4.146 6.146 ( -8.454 6.382 -2.569) 10.899 6.267 ( -7.568 -6.372 -2.915) 10.314 6.691 ( 0.993 3.789 -1.682) 4.263 6.775 ( 1.953 -5.081 -2.048) 5.816 7.866 ( -2.799 1.884 -3.418) 4.802 7.924 ( -1.935 -4.074 -2.256) 5.043 12.263 ( -0.768 1.603 0.562) 1.864 12.288 ( -1.134 -0.779 0.413) 1.436 12.328 ( -0.194 2.185 -0.182) 2.201 12.373 ( 0.413 -2.377 -0.491) 2.462 12.574 ( -0.304 1.027 0.725) 1.294 12.586 ( -0.359 -0.300 -0.011) 0.468 13.553 ( -0.851 3.877 -0.128) 3.972 13.628 ( -0.365 -3.814 -1.505) 4.116 15.894 ( -0.069 3.019 1.789) 3.510 15.947 ( 0.086 -2.680 1.750) 3.202 16.622 ( 0.099 1.112 -0.231) 1.140 16.641 ( 0.346 -0.906 -0.380) 1.042 16.841 ( -1.271 2.791 -0.774) 3.163 16.889 ( -0.057 -2.286 -0.375) 2.318 17.063 ( 0.338 0.941 -1.726) 1.995 17.070 ( 0.314 0.048 -1.024) 1.072 17.835 ( 0.074 1.282 1.820) 2.228 17.858 ( -0.663 -1.137 0.376) 1.368 17.941 ( -0.115 0.747 -0.453) 0.881 17.958 ( 0.143 -0.992 0.184) 1.018 24.880 ( -1.704 2.575 0.647) 3.155 24.939 ( -0.796 -3.683 1.160) 3.943 25.463 ( -1.466 4.394 -6.921) 8.328 25.508 ( 0.194 -0.521 -5.519) 5.547 28.267 ( 0.152 0.440 -0.116) 0.480 28.276 ( 0.201 -0.505 0.009) 0.543 28.448 ( 0.678 1.301 0.928) 1.736 28.470 ( 0.888 -0.985 1.363) 1.902 28.794 ( -0.860 3.136 1.289) 3.498 28.863 ( -1.068 -4.047 -0.093) 4.187 30.753 ( 1.312 3.999 -0.454) 4.233 30.814 ( 1.279 -2.205 -1.526) 2.971 33.283 ( -5.159 2.548 15.769) 16.786 33.340 ( -4.204 -3.329 15.081) 16.006 34.524 ( -7.442 7.513 -11.707) 15.776 34.665 ( -10.196 -7.146 -13.484) 18.353 35.806 ( 1.186 1.969 0.846) 2.449 35.865 ( 1.460 -4.237 0.836) 4.559 36.464 ( 3.026 8.991 1.634) 9.626 36.616 ( 5.421 -7.000 1.928) 9.061 39.416 ( 2.683 3.934 0.792) 4.827 39.501 ( 6.511 -5.145 -1.242) 8.391 40.767 ( 0.615 4.370 0.177) 4.417 40.845 ( 1.832 -3.674 -0.450) 4.130 76.636 ( -1.108 4.196 1.876) 4.728 76.714 ( -0.402 -4.026 2.007) 4.516 80.551 ( -10.437 13.245 -10.705) 19.974 80.698 ( -7.465 -1.284 -18.065) 19.589 ======================= Grid point 112 (60/136) ======================= q-point: ( 0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 6.786 15.529 4.724) 17.593 1.638 ( 7.873 2.311 2.086) 8.466 1.860 ( 3.025 -7.621 4.480) 9.344 1.916 ( 0.800 -5.006 -0.525) 5.097 2.166 ( 4.192 0.488 -6.615) 7.847 2.250 ( 4.939 -6.212 -6.758) 10.424 2.555 ( 4.863 4.484 3.926) 7.692 2.626 ( 7.923 -0.821 0.113) 7.966 2.744 ( -2.850 -0.917 0.399) 3.020 2.783 ( -0.759 -1.902 3.494) 4.050 3.024 ( 2.380 6.659 1.877) 7.316 3.116 ( 3.646 -3.332 3.149) 5.858 3.293 ( 0.789 0.804 -2.194) 2.466 3.310 ( 0.876 -1.284 -1.462) 2.134 3.853 ( -0.458 9.562 0.391) 9.581 3.921 ( -3.970 8.858 -0.401) 9.715 4.010 ( -4.459 -6.351 4.291) 8.867 4.094 ( -5.518 -6.464 -0.388) 8.508 4.205 ( -0.455 3.011 1.692) 3.484 4.295 ( 2.091 -5.051 1.676) 5.718 4.502 ( -3.239 8.902 2.054) 9.694 4.684 ( -6.709 -6.627 2.965) 9.885 4.742 ( 4.856 0.178 -8.912) 10.150 4.812 ( 5.448 -4.900 -7.716) 10.641 5.339 ( 0.024 3.684 0.853) 3.782 5.403 ( 2.197 -2.527 2.520) 4.191 5.587 ( -3.610 1.541 3.074) 4.985 5.624 ( -2.991 -2.039 1.484) 3.912 5.745 ( 0.343 3.887 0.872) 3.999 5.804 ( 0.378 -1.415 0.462) 1.536 5.986 ( -7.903 2.541 0.692) 8.330 6.085 ( -9.034 -7.461 -2.022) 11.890 6.708 ( 2.591 4.049 -2.725) 5.526 6.794 ( 1.895 -4.993 -2.580) 5.931 7.777 ( -4.358 3.185 -2.462) 5.933 7.854 ( -4.260 -4.648 -0.845) 6.361 12.245 ( -1.708 1.134 0.421) 2.093 12.262 ( -1.828 -0.411 0.066) 1.874 12.328 ( 0.177 2.543 0.154) 2.554 12.380 ( 0.657 -2.658 -0.377) 2.764 12.567 ( -0.838 0.782 0.399) 1.214 12.575 ( -0.781 -0.035 -0.268) 0.826 13.537 ( -0.850 4.054 0.005) 4.143 13.613 ( -0.253 -3.719 -0.935) 3.843 15.911 ( 0.660 3.318 1.435) 3.674 15.967 ( 0.813 -2.639 1.393) 3.093 16.627 ( 0.515 1.031 0.075) 1.155 16.647 ( 0.506 -1.075 -0.186) 1.203 16.817 ( -0.938 3.598 -0.224) 3.725 16.884 ( -0.363 -3.384 -0.083) 3.405 17.054 ( 0.003 1.271 -1.316) 1.830 17.068 ( 0.207 -0.237 -1.015) 1.063 17.844 ( -0.694 0.619 1.863) 2.082 17.846 ( -0.846 0.248 0.127) 0.891 17.939 ( 0.323 1.068 -0.672) 1.303 17.967 ( 0.598 -1.732 0.356) 1.866 24.850 ( -1.936 3.536 0.393) 4.051 24.927 ( -1.268 -4.698 1.038) 4.975 25.394 ( -1.312 5.967 -4.645) 7.675 25.468 ( -0.568 -1.923 -4.089) 4.554 28.271 ( 0.510 0.555 -0.387) 0.848 28.280 ( 0.346 -0.404 -0.137) 0.549 28.464 ( 0.307 1.521 0.743) 1.720 28.488 ( 0.127 -0.926 0.938) 1.324 28.786 ( -1.053 2.421 1.347) 2.964 28.843 ( -1.058 -3.404 -0.078) 3.566 30.789 ( 2.679 4.075 0.023) 4.877 30.848 ( 2.873 -1.826 -0.245) 3.413 33.262 ( -8.800 3.892 13.501) 16.579 33.335 ( -7.953 -3.793 13.768) 16.347 34.279 ( -9.758 4.940 -10.862) 15.415 34.381 ( -11.128 -5.894 -11.226) 16.870 35.829 ( 2.260 2.497 -1.469) 3.674 35.892 ( 2.353 -4.112 -1.278) 4.907 36.557 ( 5.191 10.197 2.413) 11.693 36.719 ( 3.900 -6.607 2.881) 8.196 39.493 ( 4.813 5.147 0.730) 7.084 39.627 ( 8.212 -9.097 -2.405) 12.489 40.789 ( 1.414 5.173 0.484) 5.385 40.883 ( 2.418 -4.562 -0.048) 5.164 76.628 ( -1.205 4.961 1.752) 5.398 76.719 ( -0.735 -4.629 2.111) 5.141 80.267 ( -11.767 15.469 -7.460) 20.818 80.450 ( -8.470 -3.754 -11.307) 14.618 ======================= Grid point 113 (61/136) ======================= q-point: ( 0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 13.166 11.065 1.071) 17.231 1.811 ( 9.877 -1.482 -3.675) 10.642 1.905 ( 3.630 1.729 -0.929) 4.127 2.002 ( 6.440 -6.916 4.712) 10.559 2.198 ( 4.146 2.627 -6.420) 8.081 2.326 ( 6.027 -8.274 -1.026) 10.288 2.575 ( -0.910 1.874 -0.331) 2.109 2.647 ( -1.998 -4.919 -3.619) 6.425 2.818 ( 4.470 3.478 8.421) 10.148 2.854 ( 1.578 0.422 8.593) 8.747 3.084 ( 2.785 8.390 0.030) 8.840 3.208 ( 3.462 -3.594 1.717) 5.278 3.269 ( -0.828 1.137 -3.268) 3.558 3.318 ( 1.565 -3.782 -1.226) 4.273 3.748 ( -6.493 11.420 -0.392) 13.142 3.928 ( -3.012 -3.981 2.538) 5.600 3.962 ( -2.103 1.373 1.891) 3.144 4.019 ( -0.411 -8.063 -0.106) 8.074 4.219 ( 0.534 6.724 3.255) 7.489 4.350 ( 1.231 -6.721 1.792) 7.064 4.441 ( -3.615 7.749 0.799) 8.588 4.588 ( -5.694 -7.068 1.062) 9.138 4.786 ( 5.442 1.497 -7.224) 9.168 4.856 ( 4.487 -5.588 -5.502) 9.035 5.273 ( -4.686 8.087 -4.047) 10.185 5.409 ( -2.402 -5.438 -0.987) 6.026 5.492 ( -8.464 3.084 3.905) 9.818 5.548 ( -6.850 -2.687 2.372) 7.731 5.753 ( -0.366 3.145 -0.381) 3.189 5.817 ( -0.828 -3.399 -1.068) 3.658 5.891 ( -1.185 3.290 1.087) 3.662 5.983 ( -1.844 -6.898 0.968) 7.205 6.739 ( 2.510 3.094 -2.007) 4.461 6.804 ( 0.892 -3.712 -1.560) 4.124 7.687 ( -3.784 3.949 -1.615) 5.703 7.770 ( -4.585 -4.537 0.017) 6.451 12.212 ( -2.062 0.864 0.296) 2.256 12.227 ( -1.919 -0.541 -0.220) 2.006 12.336 ( 0.513 2.805 0.403) 2.880 12.391 ( 0.826 -2.759 -0.211) 2.888 12.552 ( -1.074 0.666 0.136) 1.271 12.557 ( -0.831 0.098 -0.540) 0.996 13.524 ( -0.705 4.325 0.372) 4.398 13.607 ( -0.013 -4.116 -0.312) 4.128 15.936 ( 1.097 3.637 1.011) 3.931 15.995 ( 1.265 -2.620 0.947) 3.060 16.640 ( 0.625 0.703 0.311) 0.990 16.654 ( 0.359 -0.798 -0.175) 0.892 16.804 ( -0.583 3.298 0.442) 3.378 16.874 ( -0.852 -3.747 0.048) 3.843 17.045 ( -0.053 1.437 -0.950) 1.723 17.063 ( -0.083 -0.397 -0.706) 0.814 17.830 ( -0.963 0.765 -0.024) 1.230 17.836 ( -1.472 0.415 1.298) 2.006 17.942 ( 0.556 1.658 -0.675) 1.875 17.982 ( 0.776 -2.291 0.123) 2.422 24.820 ( -1.620 4.121 0.389) 4.445 24.910 ( -1.323 -5.451 0.803) 5.667 25.350 ( -0.712 6.006 -2.668) 6.611 25.432 ( -0.672 -2.593 -2.720) 3.818 28.279 ( 0.734 0.524 -0.535) 1.049 28.286 ( 0.496 -0.172 -0.381) 0.648 28.469 ( -0.257 1.389 0.512) 1.503 28.489 ( -0.607 -0.659 0.694) 1.133 28.777 ( -0.996 2.229 1.215) 2.727 28.827 ( -0.744 -2.908 0.108) 3.004 30.839 ( 2.324 4.241 0.689) 4.884 30.901 ( 2.467 -2.018 0.826) 3.292 33.178 ( -9.648 4.570 10.251) 14.800 33.263 ( -9.749 -4.359 11.173) 15.456 34.047 ( -7.600 3.002 -9.245) 12.339 34.117 ( -9.433 -4.676 -9.761) 14.357 35.874 ( 3.999 3.173 -1.753) 5.398 35.943 ( 4.479 -4.161 -1.563) 6.310 36.668 ( 5.062 8.669 1.879) 10.213 36.795 ( 2.426 -4.355 2.386) 5.527 39.583 ( 4.396 5.687 0.722) 7.224 39.743 ( 6.530 -10.990 -2.668) 13.059 40.820 ( 1.290 5.536 0.930) 5.760 40.923 ( 1.779 -5.180 0.318) 5.486 76.620 ( -0.954 5.291 1.422) 5.561 76.717 ( -1.184 -4.872 1.855) 5.346 80.052 ( -8.078 14.130 -2.743) 16.506 80.239 ( -7.728 -5.430 -6.286) 11.346 ======================= Grid point 114 (62/136) ======================= q-point: ( 0.36 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 12.727 6.513 -9.864) 17.369 1.927 ( 9.095 7.518 -1.939) 11.959 2.027 ( 6.752 -1.861 0.232) 7.007 2.165 ( 7.502 -9.159 2.679) 12.139 2.229 ( 3.438 8.567 -2.531) 9.572 2.407 ( 2.619 -8.963 1.236) 9.420 2.578 ( -0.207 -0.025 4.018) 4.024 2.615 ( -1.363 -3.458 3.922) 5.404 2.880 ( -2.508 3.006 -0.308) 3.926 2.903 ( -2.693 1.088 4.650) 5.483 3.124 ( 2.031 4.053 2.275) 5.072 3.190 ( -1.853 -2.265 -3.112) 4.272 3.297 ( 2.774 1.741 1.313) 3.529 3.359 ( 2.608 -4.409 1.374) 5.304 3.649 ( -4.104 12.292 -0.177) 12.960 3.879 ( -1.814 -11.214 0.368) 11.366 3.958 ( 0.409 3.928 0.087) 3.950 4.060 ( 3.368 -6.390 1.294) 7.338 4.239 ( -1.370 6.974 1.541) 7.272 4.361 ( -0.196 -4.837 0.064) 4.842 4.403 ( -0.714 4.449 -0.510) 4.535 4.502 ( -3.269 -5.183 -1.137) 6.232 4.805 ( -0.302 1.308 -0.967) 1.654 4.879 ( 0.140 -6.019 -1.466) 6.196 5.163 ( -2.912 8.194 -5.111) 10.087 5.321 ( -4.194 -7.705 -4.497) 9.858 5.381 ( -6.314 2.608 4.000) 7.916 5.439 ( -5.842 -3.371 1.902) 7.007 5.739 ( -0.048 3.737 -0.426) 3.762 5.796 ( 0.356 -2.177 -0.942) 2.398 5.921 ( 1.705 2.291 0.888) 2.991 5.982 ( 0.277 -4.584 0.035) 4.592 6.763 ( 1.110 2.096 -0.651) 2.459 6.805 ( -0.048 -2.192 -0.214) 2.203 7.625 ( -1.865 3.839 -1.086) 4.404 7.697 ( -3.438 -3.578 0.055) 4.962 12.181 ( -1.550 0.622 0.159) 1.677 12.194 ( -1.427 -0.712 -0.364) 1.636 12.349 ( 0.466 2.866 0.620) 2.970 12.404 ( 0.694 -2.746 -0.078) 2.833 12.533 ( -0.974 0.830 -0.046) 1.281 12.541 ( -0.438 -0.032 -0.611) 0.752 13.518 ( -0.482 4.533 0.804) 4.629 13.607 ( 0.072 -4.620 0.048) 4.621 15.962 ( 0.980 3.830 0.663) 4.008 16.021 ( 1.044 -2.560 0.406) 2.795 16.651 ( 0.299 0.301 0.291) 0.515 16.657 ( 0.148 -0.364 -0.201) 0.441 16.800 ( -0.410 2.387 0.739) 2.532 16.857 ( -0.980 -3.291 0.046) 3.434 17.039 ( -0.022 1.457 -0.553) 1.558 17.057 ( -0.088 -0.468 -0.339) 0.585 17.811 ( -1.277 0.740 0.104) 1.479 17.814 ( -1.263 0.346 0.226) 1.329 17.948 ( 0.614 2.190 -0.535) 2.336 17.995 ( 0.679 -2.513 -0.328) 2.624 24.800 ( -1.012 4.217 0.624) 4.381 24.894 ( -1.055 -5.728 0.523) 5.848 25.328 ( -0.162 5.436 -1.451) 5.629 25.406 ( -0.353 -2.716 -1.868) 3.315 28.288 ( 0.548 0.501 -0.357) 0.823 28.293 ( 0.732 -0.036 -0.624) 0.962 28.464 ( -0.528 1.061 0.314) 1.226 28.479 ( -0.961 -0.440 0.533) 1.184 28.769 ( -0.726 2.435 1.062) 2.754 28.818 ( -0.383 -2.608 0.232) 2.646 30.877 ( 1.157 4.193 1.206) 4.513 30.941 ( 1.133 -2.287 1.123) 2.788 33.082 ( -7.805 4.089 7.444) 11.535 33.164 ( -8.896 -4.460 8.686) 13.209 33.885 ( -3.467 1.183 -7.607) 8.443 33.918 ( -5.076 -2.435 -8.440) 10.146 35.940 ( 4.022 3.991 -0.557) 5.694 36.020 ( 4.545 -4.453 -0.608) 6.392 36.754 ( 3.498 6.320 0.313) 7.231 36.838 ( 0.818 -2.138 1.135) 2.555 39.653 ( 2.755 5.792 0.716) 6.454 39.820 ( 4.206 -11.460 -2.491) 12.460 40.846 ( 0.692 5.344 1.299) 5.542 40.949 ( 0.773 -5.317 0.411) 5.389 76.615 ( -0.590 4.893 1.061) 5.042 76.704 ( -1.502 -4.403 1.239) 4.815 79.932 ( -4.592 11.358 0.236) 12.254 80.092 ( -4.713 -5.420 -3.090) 7.819 ======================= Grid point 115 (63/136) ======================= q-point: ( 0.45 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 8.052 7.741 -3.343) 11.659 2.069 ( 7.056 6.928 -3.380) 10.450 2.114 ( 5.276 -2.252 -3.922) 6.949 2.249 ( 1.523 -7.639 -2.086) 8.064 2.310 ( 4.796 8.594 3.556) 10.464 2.450 ( -1.567 -5.517 5.702) 8.088 2.571 ( -6.019 -0.423 1.839) 6.308 2.606 ( -4.054 -2.955 3.955) 6.388 2.797 ( -1.777 1.399 -2.673) 3.502 2.846 ( -1.888 -2.659 -1.620) 3.641 3.135 ( -2.306 1.768 0.079) 2.907 3.182 ( 0.078 -2.541 2.816) 3.794 3.336 ( 0.395 2.366 0.321) 2.421 3.400 ( 0.249 -3.905 1.083) 4.060 3.620 ( 1.034 13.705 0.879) 13.772 3.878 ( 1.415 -12.805 0.533) 12.894 3.963 ( 0.024 5.870 -1.194) 5.990 4.128 ( 1.912 -11.024 -0.186) 11.190 4.202 ( -1.666 8.718 0.806) 8.912 4.339 ( -0.218 -4.476 -1.403) 4.696 4.430 ( 3.025 3.041 -0.131) 4.292 4.478 ( 2.388 -1.516 -2.767) 3.957 4.758 ( -5.850 1.391 3.454) 6.934 4.827 ( -5.100 -4.482 0.954) 6.856 5.103 ( 0.228 5.127 -4.650) 6.925 5.231 ( -1.090 -7.256 -5.370) 9.093 5.342 ( -1.100 1.703 3.186) 3.776 5.398 ( -0.165 -4.043 1.864) 4.455 5.749 ( 1.009 4.369 0.518) 4.514 5.813 ( 1.520 -2.545 0.071) 2.965 5.942 ( 0.204 1.493 -0.375) 1.553 5.977 ( -0.502 -2.763 -1.020) 2.988 6.769 ( -0.142 1.740 0.362) 1.783 6.800 ( -0.412 -1.493 0.113) 1.553 7.605 ( 0.263 2.822 -0.555) 2.888 7.651 ( -1.462 -2.004 -0.379) 2.509 12.161 ( -0.654 0.495 0.008) 0.820 12.175 ( -0.385 -0.861 -0.383) 1.018 12.360 ( 0.090 2.807 0.826) 2.928 12.413 ( 0.326 -2.709 0.032) 2.729 12.519 ( -0.472 1.202 -0.178) 1.304 12.533 ( 0.042 -0.318 -0.618) 0.696 13.519 ( -0.228 4.482 1.206) 4.647 13.608 ( 0.020 -4.751 0.119) 4.753 15.978 ( 0.249 3.685 0.445) 3.720 16.034 ( 0.145 -2.334 -0.173) 2.345 16.654 ( -0.092 0.180 0.107) 0.229 16.659 ( 0.154 -0.366 -0.082) 0.405 16.799 ( -0.321 1.792 0.743) 1.967 16.843 ( -0.428 -2.647 0.022) 2.682 17.038 ( 0.236 1.349 -0.104) 1.373 17.055 ( 0.028 -0.423 -0.162) 0.454 17.789 ( -0.994 1.022 -0.071) 1.428 17.799 ( -0.440 -0.093 -0.352) 0.571 17.955 ( 0.511 2.244 -0.340) 2.326 18.000 ( 0.314 -2.329 -0.756) 2.468 24.794 ( -0.328 3.902 0.994) 4.040 24.881 ( -0.571 -5.420 0.223) 5.455 25.322 ( 0.412 4.818 -0.773) 4.897 25.393 ( 0.304 -2.564 -1.497) 2.985 28.293 ( 0.314 0.756 -0.205) 0.844 28.302 ( 0.712 -0.228 -0.509) 0.904 28.456 ( -0.467 0.618 0.127) 0.785 28.464 ( -0.921 -0.182 0.218) 0.964 28.767 ( -0.423 2.672 1.011) 2.888 28.816 ( -0.101 -2.448 0.286) 2.467 30.899 ( 0.188 3.801 1.580) 4.120 30.957 ( -0.042 -2.204 0.939) 2.396 33.015 ( -4.844 3.219 5.521) 8.020 33.084 ( -6.053 -3.978 6.714) 9.877 33.808 ( 0.652 0.778 -7.150) 7.222 33.830 ( 1.303 -1.513 -6.033) 6.355 36.000 ( 2.253 4.410 1.082) 5.068 36.083 ( 2.243 -4.315 0.484) 4.887 36.794 ( 1.320 3.923 -1.236) 4.320 36.836 ( -1.369 -0.238 -0.485) 1.471 39.691 ( 0.826 5.859 0.724) 5.961 39.859 ( 2.158 -11.544 -2.248) 11.957 40.863 ( 0.042 4.780 1.601) 5.042 40.958 ( 0.006 -5.041 0.265) 5.048 76.614 ( -0.370 3.943 0.920) 4.066 76.684 ( -1.321 -3.378 0.441) 3.654 79.886 ( -1.363 9.911 1.598) 10.131 80.031 ( -0.210 -5.416 -1.117) 5.534 ======================= Grid point 116 (64/136) ======================= q-point: (-0.45 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -8.506 12.129 -4.363) 15.443 2.145 ( -0.211 2.113 1.977) 2.901 2.186 ( 1.494 -2.671 -2.432) 3.909 2.201 ( -1.238 -9.295 -3.004) 9.847 2.347 ( -8.278 1.532 -1.333) 8.523 2.400 ( -7.236 -4.469 -0.474) 8.518 2.460 ( 4.733 8.636 3.843) 10.571 2.603 ( 0.897 -6.103 3.605) 7.145 2.780 ( -1.065 0.543 0.488) 1.291 2.821 ( -1.778 -3.615 -0.633) 4.078 3.110 ( 0.463 6.394 0.449) 6.426 3.220 ( 3.111 -4.633 1.054) 5.679 3.310 ( -2.360 3.097 -0.787) 3.972 3.389 ( -0.836 -4.547 -0.135) 4.625 3.671 ( 1.612 13.110 3.175) 13.586 3.908 ( 0.531 -5.872 -0.713) 5.939 3.947 ( -0.453 -0.146 -0.178) 0.508 4.093 ( -2.718 -8.886 -1.145) 9.362 4.229 ( 0.864 6.547 2.191) 6.958 4.347 ( 0.896 -2.412 -0.508) 2.623 4.476 ( 0.755 1.134 1.589) 2.094 4.529 ( 3.750 -2.474 -2.713) 5.248 4.674 ( -2.804 3.374 0.710) 4.444 4.763 ( 0.120 -4.134 -1.963) 4.578 5.121 ( 5.273 3.283 -3.125) 6.954 5.217 ( 2.749 -5.270 -3.128) 6.717 5.369 ( 1.354 1.676 2.732) 3.479 5.439 ( 2.372 -5.123 2.113) 6.028 5.773 ( 0.516 4.627 1.658) 4.942 5.838 ( 0.571 -2.385 1.186) 2.724 5.920 ( -1.903 0.985 -1.423) 2.572 5.950 ( -1.343 -2.814 -2.167) 3.797 6.773 ( 0.508 1.193 0.472) 1.380 6.795 ( -0.011 -1.236 -0.103) 1.241 7.622 ( 1.479 1.480 0.128) 2.096 7.643 ( 1.208 -0.644 -0.807) 1.589 12.158 ( 0.420 0.660 -0.087) 0.787 12.176 ( 0.787 -1.073 -0.320) 1.369 12.363 ( -0.447 2.699 0.933) 2.890 12.415 ( -0.249 -2.598 0.052) 2.611 12.515 ( 0.268 1.432 -0.332) 1.495 12.533 ( 0.524 -0.556 -0.553) 0.944 13.527 ( 0.029 4.127 1.549) 4.408 13.609 ( 0.058 -4.333 0.076) 4.334 15.976 ( -0.737 3.151 0.449) 3.267 16.024 ( -0.901 -1.958 -0.532) 2.220 16.650 ( -0.299 0.394 -0.007) 0.495 16.661 ( 0.108 -0.684 0.015) 0.693 16.800 ( -0.162 2.006 0.744) 2.146 16.844 ( 0.504 -2.462 0.044) 2.513 17.045 ( 0.458 1.020 0.156) 1.129 17.057 ( 0.326 -0.151 -0.134) 0.383 17.777 ( -0.170 1.362 -0.483) 1.455 17.794 ( 0.257 -0.503 -0.476) 0.739 17.961 ( 0.339 1.759 -0.066) 1.792 17.995 ( -0.098 -1.743 -0.980) 2.002 24.802 ( 0.284 3.332 1.364) 3.612 24.877 ( 0.038 -4.622 -0.021) 4.622 25.331 ( 1.135 4.395 -0.435) 4.560 25.396 ( 1.229 -2.289 -1.465) 2.982 28.296 ( 0.093 0.983 -0.142) 0.998 28.308 ( 0.247 -0.366 -0.356) 0.567 28.450 ( -0.389 0.264 -0.141) 0.491 28.452 ( -0.335 0.003 -0.026) 0.336 28.769 ( -0.189 2.775 1.066) 2.979 28.818 ( 0.173 -2.429 0.375) 2.464 30.909 ( -0.453 3.135 2.030) 3.762 30.956 ( -0.759 -1.613 0.796) 1.953 32.988 ( -2.218 2.931 4.345) 5.691 33.050 ( -2.533 -3.552 5.259) 6.833 33.817 ( 5.913 2.319 -6.200) 8.876 33.866 ( 6.994 -2.839 -4.839) 8.966 36.028 ( -0.620 3.941 2.209) 4.561 36.099 ( -1.160 -3.477 0.884) 3.771 36.779 ( -3.439 1.999 -1.704) 4.327 36.788 ( -1.024 1.142 -2.116) 2.613 39.693 ( -1.114 6.147 0.782) 6.296 39.866 ( 0.374 -11.765 -2.008) 11.941 40.871 ( -0.557 4.087 1.949) 4.562 40.954 ( -0.460 -4.533 0.082) 4.557 76.614 ( -0.513 3.094 1.019) 3.297 76.667 ( -0.520 -2.493 -0.183) 2.553 79.907 ( 2.325 10.950 2.088) 11.388 80.072 ( 5.172 -6.482 0.333) 8.300 ======================= Grid point 117 (65/136) ======================= q-point: (-0.36 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -14.720 11.728 -7.195) 20.150 1.940 ( -14.016 -11.535 -6.979) 19.448 2.096 ( -10.450 3.582 2.845) 11.407 2.198 ( -5.859 -5.376 3.796) 8.812 2.256 ( -0.311 -0.496 -2.250) 2.325 2.305 ( 0.030 -5.015 -4.574) 6.788 2.594 ( 3.507 3.471 2.798) 5.673 2.631 ( 0.371 -0.077 0.374) 0.532 2.763 ( -1.702 2.081 0.444) 2.725 2.791 ( -0.043 -0.775 3.274) 3.364 3.139 ( -0.071 4.712 2.497) 5.333 3.218 ( -3.390 -2.535 -0.760) 4.301 3.330 ( 3.649 2.728 2.057) 4.999 3.397 ( 0.777 -3.469 1.410) 3.825 3.705 ( 0.958 11.622 2.129) 11.854 3.905 ( 1.117 2.845 -1.540) 3.422 3.945 ( 0.345 -9.415 0.749) 9.451 4.040 ( -3.465 -7.302 0.696) 8.113 4.214 ( -4.047 6.749 1.475) 8.006 4.347 ( -0.786 -4.140 0.681) 4.268 4.453 ( -3.573 2.812 2.247) 5.072 4.551 ( 1.502 -4.507 1.126) 4.883 4.740 ( 9.398 5.124 -4.977) 11.804 4.826 ( 8.758 -3.062 -4.916) 10.500 5.228 ( 7.250 0.353 -3.985) 8.280 5.257 ( 3.285 -1.294 -1.309) 3.766 5.417 ( 1.237 1.944 3.011) 3.792 5.496 ( 2.080 -5.693 2.414) 6.524 5.789 ( -0.214 4.661 1.867) 5.025 5.852 ( -1.436 -0.574 0.229) 1.563 5.864 ( -1.436 -1.109 -0.672) 1.935 5.901 ( -0.989 -3.656 -2.551) 4.566 6.794 ( 1.137 0.084 0.124) 1.147 6.805 ( 1.602 -0.827 -0.262) 1.822 7.654 ( 2.538 1.780 -0.555) 3.149 7.687 ( 3.590 -1.510 0.094) 3.896 12.175 ( 1.420 0.963 -0.048) 1.716 12.196 ( 1.666 -1.178 -0.231) 2.053 12.358 ( -0.885 2.515 0.866) 2.804 12.406 ( -0.668 -2.393 -0.088) 2.487 12.522 ( 0.770 1.484 -0.469) 1.736 12.543 ( 0.902 -0.742 -0.434) 1.246 13.542 ( 0.216 3.651 1.752) 4.055 13.613 ( 0.346 -3.640 0.064) 3.657 15.960 ( -1.482 2.474 0.707) 2.970 15.998 ( -1.505 -1.577 -0.442) 2.224 16.643 ( -0.463 0.736 -0.014) 0.870 16.661 ( -0.121 -1.111 0.028) 1.118 16.807 ( 0.346 2.762 0.916) 2.930 16.859 ( 1.020 -2.624 0.098) 2.817 17.053 ( 0.355 1.135 -0.157) 1.199 17.067 ( 0.819 -0.282 0.024) 0.866 17.775 ( 0.408 1.727 -0.747) 1.925 17.800 ( 0.790 -0.914 -0.482) 1.301 17.966 ( 0.130 0.978 0.254) 1.019 17.984 ( -0.366 -0.855 -0.895) 1.291 24.822 ( 0.734 2.713 1.596) 3.233 24.883 ( 0.608 -3.619 -0.105) 3.671 25.357 ( 2.150 4.210 -0.410) 4.745 25.416 ( 2.361 -1.912 -1.694) 3.479 28.293 ( -0.247 0.946 -0.282) 1.018 28.304 ( -0.410 -0.255 -0.358) 0.601 28.443 ( -0.041 0.501 -0.552) 0.747 28.451 ( 0.010 -0.385 0.137) 0.409 28.775 ( -0.037 2.908 1.155) 3.129 28.828 ( 0.543 -2.653 0.565) 2.766 30.910 ( -1.386 2.557 2.345) 3.736 30.946 ( -1.071 -0.970 1.274) 1.926 32.994 ( -0.533 3.608 3.765) 5.242 33.064 ( 0.005 -3.700 4.270) 5.650 33.930 ( 11.356 3.925 -5.411) 13.178 34.007 ( 12.398 -4.197 -4.327) 13.786 36.005 ( -3.674 2.696 1.823) 4.908 36.055 ( -4.089 -2.582 0.210) 4.841 36.681 ( -5.331 4.817 -2.032) 7.466 36.747 ( -2.277 -1.818 -1.685) 3.366 39.662 ( -3.042 6.681 0.899) 7.396 39.843 ( -1.514 -12.243 -1.714) 12.455 40.871 ( -1.230 3.428 2.327) 4.322 40.943 ( -0.898 -3.960 0.008) 4.060 76.610 ( -0.598 3.018 1.049) 3.251 76.664 ( 0.242 -2.457 -0.143) 2.473 80.004 ( 6.949 14.347 2.096) 16.079 80.222 ( 10.855 -8.653 1.386) 13.950 ======================= Grid point 118 (66/136) ======================= q-point: (-0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -8.960 12.331 -4.159) 15.800 1.681 ( -6.116 -12.652 -9.037) 16.707 1.908 ( -12.378 7.378 3.865) 14.919 2.081 ( -8.443 -8.772 2.968) 12.532 2.220 ( -3.050 0.459 -2.138) 3.753 2.273 ( -0.997 -3.706 -3.761) 5.374 2.565 ( -5.852 3.204 -3.053) 7.337 2.614 ( -1.310 -0.771 -2.726) 3.121 2.792 ( 2.300 2.862 3.411) 5.012 2.841 ( 2.644 -1.795 3.663) 4.861 3.109 ( -4.981 2.396 2.915) 6.249 3.151 ( -3.742 -1.454 1.568) 4.310 3.387 ( -0.775 2.347 1.966) 3.158 3.408 ( -1.146 -0.307 3.218) 3.430 3.792 ( 7.336 10.229 0.752) 12.610 3.900 ( -1.648 3.423 1.654) 4.143 3.948 ( -1.918 -7.171 -2.640) 7.878 4.014 ( 0.855 -6.923 3.494) 7.802 4.168 ( -0.135 5.431 0.686) 5.476 4.324 ( -1.388 -10.215 1.168) 10.375 4.453 ( 1.177 8.792 2.167) 9.131 4.593 ( 1.892 -5.372 1.055) 5.792 4.867 ( 7.340 6.304 -4.153) 10.529 4.961 ( 8.456 -2.800 -3.323) 9.507 5.239 ( 0.445 2.047 -5.164) 5.572 5.308 ( 1.074 -5.327 -5.151) 7.488 5.447 ( -0.051 3.216 3.119) 4.480 5.542 ( 0.656 -5.840 2.527) 6.397 5.753 ( -3.534 2.008 -1.082) 4.206 5.801 ( -3.917 -2.824 -1.239) 4.986 5.877 ( 6.134 5.308 1.084) 8.184 5.971 ( 7.448 -4.287 1.173) 8.673 6.807 ( 0.306 0.893 0.049) 0.946 6.840 ( 2.049 -2.197 -0.654) 3.074 7.711 ( 4.693 2.250 -1.412) 5.392 7.762 ( 4.494 -2.928 0.349) 5.375 12.206 ( 1.960 1.178 0.089) 2.289 12.229 ( 1.990 -1.064 -0.078) 2.258 12.346 ( -0.992 2.347 0.635) 2.626 12.392 ( -0.644 -2.353 -0.260) 2.453 12.533 ( 0.826 1.624 -0.534) 1.899 12.557 ( 0.963 -0.930 -0.387) 1.394 13.558 ( 0.218 3.345 1.654) 3.738 13.623 ( 0.758 -3.228 0.004) 3.316 15.936 ( -1.806 2.016 1.115) 2.927 15.968 ( -1.519 -1.392 0.064) 2.061 16.635 ( -0.459 0.993 0.073) 1.097 16.657 ( -0.336 -1.282 0.019) 1.326 16.826 ( 0.956 2.955 1.195) 3.328 16.878 ( 0.887 -2.396 0.068) 2.556 17.057 ( 0.473 1.606 -0.560) 1.766 17.082 ( 0.762 -0.801 -0.157) 1.117 17.779 ( 0.642 2.114 -0.677) 2.311 17.814 ( 1.043 -1.478 -0.292) 1.832 17.969 ( -0.133 0.330 0.459) 0.580 17.972 ( -0.385 0.042 -0.457) 0.599 24.850 ( 0.985 2.118 1.666) 2.869 24.896 ( 0.882 -2.686 -0.027) 2.828 25.403 ( 3.510 4.047 -0.930) 5.438 25.455 ( 3.517 -1.375 -2.226) 4.383 28.283 ( -0.480 0.701 -0.552) 1.013 28.291 ( -0.705 -0.131 -0.340) 0.793 28.439 ( 0.013 0.709 -0.646) 0.960 28.451 ( -0.213 -0.604 0.252) 0.688 28.783 ( 0.041 3.276 1.202) 3.489 28.846 ( 0.861 -3.216 0.772) 3.417 30.888 ( -2.726 3.240 1.880) 4.633 30.939 ( -1.344 -1.875 2.505) 3.406 33.020 ( 0.166 4.593 4.208) 6.231 33.103 ( 0.833 -4.086 4.111) 5.855 34.140 ( 15.978 5.664 -4.903) 17.647 34.244 ( 17.271 -5.158 -4.027) 18.469 35.927 ( -5.378 1.360 -0.162) 5.549 35.961 ( -5.720 -2.345 -1.460) 6.352 36.572 ( -5.350 7.440 -0.875) 9.206 36.686 ( -3.479 -4.137 -0.670) 5.447 39.599 ( -4.766 7.124 1.046) 8.635 39.784 ( -3.932 -12.583 -1.302) 13.247 40.859 ( -2.080 2.936 2.478) 4.369 40.921 ( -1.512 -3.433 0.003) 3.751 76.611 ( -0.237 3.305 1.204) 3.526 76.671 ( 0.420 -2.874 0.305) 2.921 80.187 ( 12.143 18.833 1.026) 22.431 80.474 ( 15.745 -11.382 1.350) 19.475 ======================= Grid point 119 (67/136) ======================= q-point: (-0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 2.076 15.821 1.045) 15.991 1.607 ( 2.539 -4.525 -9.196) 10.559 1.741 ( -8.758 4.519 7.473) 12.368 1.973 ( -5.586 -12.358 4.488) 14.285 2.108 ( -7.195 5.850 -2.162) 9.522 2.218 ( -2.281 -4.662 -3.770) 6.415 2.398 ( -7.784 5.320 -5.040) 10.691 2.525 ( -5.731 -7.134 -4.572) 10.229 2.860 ( 3.133 5.473 2.073) 6.638 2.937 ( 4.328 -1.948 3.393) 5.834 3.061 ( -3.226 2.049 5.342) 6.569 3.103 ( -3.492 -2.253 3.035) 5.146 3.331 ( -4.683 2.098 -1.226) 5.276 3.371 ( -5.539 -1.908 0.714) 5.902 3.831 ( -1.838 2.761 0.641) 3.378 3.902 ( -0.911 -3.788 0.082) 3.897 3.992 ( 7.651 6.992 1.781) 10.516 4.067 ( 3.339 -2.571 0.195) 4.219 4.196 ( 1.380 3.939 1.018) 4.296 4.351 ( 2.719 -10.052 1.914) 10.588 4.491 ( 0.945 7.472 1.569) 7.694 4.629 ( 1.693 -6.290 -0.149) 6.515 4.917 ( 1.685 7.682 -3.689) 8.687 5.040 ( 1.600 -3.720 -1.070) 4.188 5.208 ( -1.647 0.195 -0.485) 1.728 5.226 ( -5.396 -2.118 -2.714) 6.401 5.476 ( 2.745 2.738 -0.901) 3.980 5.557 ( 0.474 -4.861 0.460) 4.906 5.695 ( -1.712 1.033 -0.988) 2.230 5.737 ( -1.679 -3.084 -1.352) 3.763 6.053 ( 11.035 5.280 1.683) 12.349 6.135 ( 9.008 -3.134 0.603) 9.557 6.799 ( -1.504 1.964 0.294) 2.491 6.853 ( -0.115 -3.417 -1.100) 3.592 7.797 ( 6.325 1.656 -2.655) 7.057 7.846 ( 4.596 -3.342 -0.362) 5.694 12.241 ( 1.656 1.227 0.304) 2.084 12.263 ( 1.621 -0.874 0.193) 1.852 12.334 ( -0.617 2.318 0.210) 2.408 12.380 ( -0.386 -2.461 -0.469) 2.535 12.544 ( 0.730 1.810 -0.308) 1.976 12.571 ( 0.808 -1.050 -0.308) 1.360 13.571 ( -0.002 3.371 1.205) 3.579 13.638 ( 0.941 -3.466 -0.347) 3.608 15.913 ( -1.774 1.984 1.510) 3.060 15.947 ( -1.179 -1.586 0.797) 2.131 16.629 ( -0.262 1.153 0.064) 1.184 16.651 ( -0.310 -1.137 -0.048) 1.179 16.854 ( 1.081 2.144 1.170) 2.670 16.890 ( 0.488 -1.613 -0.083) 1.687 17.061 ( 0.538 1.781 -0.997) 2.111 17.090 ( 0.393 -1.125 -0.612) 1.340 17.788 ( 0.681 2.475 -0.189) 2.574 17.832 ( 1.024 -2.127 0.023) 2.360 17.964 ( -0.252 0.544 -0.035) 0.601 17.969 ( -0.373 0.019 0.672) 0.769 24.879 ( 0.821 1.447 1.680) 2.365 24.912 ( 0.807 -1.963 0.105) 2.125 25.466 ( 4.615 3.456 -2.497) 6.283 25.506 ( 4.159 -0.726 -3.292) 5.353 28.271 ( -0.329 0.455 -0.528) 0.771 28.277 ( -0.502 -0.172 -0.269) 0.595 28.432 ( -0.298 0.815 -0.377) 0.946 28.445 ( -0.668 -0.551 0.395) 0.952 28.792 ( -0.029 3.779 1.172) 3.957 28.867 ( 0.760 -3.972 0.799) 4.123 30.844 ( -3.409 4.516 1.337) 5.814 30.925 ( -2.379 -3.928 2.313) 5.142 33.062 ( 0.203 4.947 6.878) 8.475 33.151 ( 0.588 -4.215 5.532) 6.979 34.410 ( 17.241 8.133 -5.271) 19.779 34.558 ( 20.403 -7.023 -3.894) 21.927 35.828 ( -4.695 -0.162 -1.274) 4.868 35.838 ( -5.329 -1.462 -3.663) 6.629 36.485 ( -4.168 8.429 0.400) 9.412 36.615 ( -4.115 -5.046 0.150) 6.512 39.512 ( -5.578 6.794 1.147) 8.865 39.681 ( -6.763 -11.466 -0.709) 13.331 40.832 ( -2.767 2.811 2.051) 4.446 40.889 ( -2.040 -3.041 -0.092) 3.663 76.619 ( 0.056 3.345 1.547) 3.686 76.682 ( 0.352 -3.135 0.786) 3.251 80.437 ( 15.371 21.918 -2.412) 26.880 80.777 ( 17.042 -14.019 -1.803) 22.140 ======================= Grid point 120 (68/136) ======================= q-point: (-0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.497 15.109 -0.787) 15.204 1.551 ( -0.958 17.343 0.535) 17.378 1.744 ( 1.487 -8.421 1.885) 8.756 1.971 ( -5.519 13.419 3.508) 14.928 1.982 ( 0.166 -18.056 6.850) 19.312 2.129 ( -4.419 -4.547 -1.636) 6.548 2.282 ( 0.419 3.285 -5.644) 6.544 2.388 ( -4.276 -6.651 -5.479) 9.620 2.903 ( -0.530 3.859 1.004) 4.022 2.991 ( -1.191 -2.274 -0.450) 2.607 3.053 ( -2.840 0.314 4.811) 5.596 3.092 ( -0.613 -2.661 5.397) 6.049 3.232 ( -3.786 0.923 -2.252) 4.501 3.259 ( -3.942 -1.414 -2.040) 4.658 3.812 ( -0.672 5.525 -0.006) 5.566 3.920 ( 2.445 -2.743 0.663) 3.734 4.088 ( 1.965 0.134 1.095) 2.253 4.127 ( 3.287 -3.855 -0.780) 5.126 4.235 ( 1.844 7.965 0.026) 8.176 4.397 ( 0.909 -7.978 -0.810) 8.070 4.502 ( -0.065 7.753 -0.299) 7.759 4.653 ( 2.946 -7.224 -3.910) 8.727 4.909 ( -0.373 7.228 -0.676) 7.269 5.029 ( -2.969 -3.136 3.417) 5.507 5.126 ( -3.226 0.599 0.641) 3.343 5.153 ( -6.367 -1.838 5.741) 8.768 5.525 ( 3.255 3.992 -1.537) 5.376 5.586 ( 3.072 -2.505 -1.921) 4.405 5.682 ( 0.511 -0.028 0.008) 0.511 5.731 ( 1.653 -4.360 -0.125) 4.665 6.249 ( 9.230 2.100 -1.350) 9.562 6.269 ( 5.435 0.017 -0.250) 5.440 6.757 ( -3.358 2.466 0.566) 4.204 6.819 ( -2.501 -3.958 -1.033) 4.795 7.884 ( 5.437 0.384 -3.904) 6.705 7.913 ( 3.546 -2.789 -1.704) 4.822 12.264 ( 0.407 1.392 0.601) 1.570 12.287 ( 0.744 -0.862 0.468) 1.231 12.330 ( 0.242 2.102 -0.261) 2.132 12.372 ( -0.026 -2.332 -0.649) 2.421 12.556 ( 0.623 1.782 0.262) 1.905 12.582 ( 0.552 -0.961 -0.112) 1.114 13.575 ( -0.349 3.583 0.596) 3.648 13.648 ( 0.621 -4.026 -1.024) 4.200 15.896 ( -1.445 2.304 1.782) 3.251 15.937 ( -0.822 -2.106 1.497) 2.712 16.626 ( -0.028 1.150 -0.117) 1.157 16.645 ( -0.186 -0.837 -0.301) 0.909 16.874 ( 0.297 1.144 0.402) 1.249 16.894 ( 0.139 -0.918 -0.283) 0.971 17.062 ( 0.628 1.556 -1.387) 2.177 17.087 ( 0.008 -0.948 -1.100) 1.452 17.801 ( 0.639 2.574 0.560) 2.710 17.849 ( 0.725 -2.479 0.293) 2.599 17.958 ( -0.493 0.591 0.136) 0.782 17.967 ( -0.398 -0.245 0.557) 0.727 24.898 ( -0.026 1.096 1.468) 1.832 24.926 ( 0.602 -1.844 0.481) 1.999 25.519 ( 3.925 2.460 -4.711) 6.607 25.545 ( 3.276 -0.169 -5.487) 6.392 28.266 ( -0.008 0.274 -0.172) 0.324 28.271 ( -0.039 -0.271 -0.125) 0.301 28.426 ( -0.209 0.759 0.317) 0.848 28.437 ( -0.579 -0.328 0.768) 1.016 28.798 ( -0.284 4.076 1.100) 4.232 28.881 ( 0.139 -4.524 0.560) 4.561 30.791 ( -2.933 4.914 0.418) 5.738 30.884 ( -3.165 -4.824 0.312) 5.778 33.132 ( 0.029 3.910 11.911) 12.536 33.208 ( 0.118 -3.779 8.803) 9.581 34.633 ( 11.510 11.320 -7.665) 17.871 34.861 ( 14.864 -12.332 -6.927) 20.518 35.736 ( -2.187 1.680 -1.420) 3.102 35.775 ( -0.302 -2.191 -0.648) 2.305 36.434 ( -1.804 7.394 0.729) 7.646 36.547 ( -3.262 -4.374 0.020) 5.456 39.429 ( -4.141 5.216 1.081) 6.748 39.544 ( -7.528 -7.302 0.037) 10.488 40.795 ( -2.427 3.106 1.112) 4.096 40.852 ( -1.699 -2.858 -0.341) 3.342 76.632 ( -0.107 3.273 1.788) 3.731 76.694 ( 0.179 -3.270 1.248) 3.504 80.657 ( 11.965 21.036 -7.748) 25.411 80.995 ( 10.112 -14.454 -10.168) 20.361 ======================= Grid point 154 (69/136) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.952 0.000 23.276) 24.597 1.029 ( 6.256 0.000 25.682) 26.433 1.713 ( 0.395 0.000 39.604) 39.606 1.737 ( 5.646 0.000 -17.119) 18.026 1.981 ( -1.984 0.000 -19.826) 19.925 2.257 ( 4.296 0.000 3.741) 5.697 2.398 ( -4.021 0.000 -3.703) 5.466 2.784 ( -1.755 0.000 0.204) 1.767 2.832 ( -2.223 0.000 -4.508) 5.026 2.957 ( 3.201 0.000 1.662) 3.607 3.009 ( -4.644 0.000 -1.998) 5.055 3.058 ( 2.431 0.000 -21.885) 22.019 3.194 ( -6.940 0.000 2.224) 7.287 3.286 ( 11.787 0.000 -4.110) 12.483 3.496 ( -4.834 0.000 1.418) 5.038 3.540 ( 3.029 0.000 -1.072) 3.213 4.099 ( -3.393 0.000 3.756) 5.061 4.167 ( -1.172 0.000 0.552) 1.296 4.230 ( 8.437 0.000 5.961) 10.330 4.477 ( -6.834 0.000 -4.413) 8.135 4.554 ( -8.476 0.000 6.492) 10.677 4.784 ( 5.870 0.000 1.358) 6.025 4.840 ( 8.310 0.000 -4.346) 9.378 4.949 ( -7.354 0.000 -2.307) 7.707 5.063 ( -1.606 0.000 3.832) 4.155 5.266 ( 1.267 0.000 -4.084) 4.276 5.563 ( -0.682 0.000 2.517) 2.608 5.643 ( 1.521 0.000 2.156) 2.638 5.673 ( 1.956 0.000 0.515) 2.023 5.846 ( -4.451 0.000 -4.050) 6.017 6.348 ( -5.912 0.000 3.754) 7.003 6.486 ( 21.756 0.000 -3.090) 21.974 6.738 ( -9.637 0.000 4.530) 10.649 6.923 ( 5.896 0.000 -4.252) 7.269 7.933 ( 4.905 0.000 5.038) 7.032 8.156 ( -7.245 0.000 -5.322) 8.990 12.246 ( -0.012 0.000 0.160) 0.161 12.262 ( -0.094 0.000 -0.742) 0.748 12.392 ( -2.781 0.000 1.413) 3.119 12.423 ( 0.796 0.000 0.092) 0.801 12.491 ( 0.326 0.000 1.763) 1.793 12.573 ( -0.417 0.000 -1.871) 1.917 13.524 ( -4.432 0.000 -0.350) 4.446 13.530 ( 2.023 0.000 -0.569) 2.102 15.832 ( -3.496 0.000 3.260) 4.780 15.965 ( 3.183 0.000 -3.016) 4.385 16.578 ( -1.171 0.000 0.585) 1.309 16.612 ( 0.218 0.000 -0.919) 0.945 16.813 ( -0.179 0.000 -0.640) 0.664 16.817 ( 0.222 0.000 -0.882) 0.910 16.975 ( -0.593 0.000 1.834) 1.928 17.034 ( 1.240 0.000 -1.015) 1.603 17.851 ( -1.793 0.000 1.808) 2.547 17.904 ( 4.461 0.000 -0.920) 4.554 17.944 ( 0.427 0.000 0.464) 0.630 17.960 ( -1.329 0.000 -0.062) 1.330 24.812 ( 2.482 0.000 1.384) 2.842 24.859 ( -3.272 0.000 -0.665) 3.339 25.195 ( -2.483 0.000 2.207) 3.322 25.324 ( 0.937 0.000 -3.701) 3.817 28.273 ( -1.079 0.000 0.970) 1.451 28.295 ( 1.124 0.000 0.092) 1.128 28.391 ( -0.872 0.000 -0.425) 0.970 28.433 ( 2.303 0.000 -2.772) 3.604 28.839 ( 1.053 0.000 5.290) 5.393 29.000 ( -0.140 0.000 -2.771) 2.774 30.667 ( 0.908 0.000 3.014) 3.148 30.811 ( -8.234 0.000 -3.840) 9.085 33.556 ( -3.491 0.000 13.462) 13.907 34.123 ( 4.358 0.000 -13.284) 13.980 34.628 ( -35.868 0.000 0.906) 35.880 34.662 ( 11.074 0.000 -0.611) 11.091 35.903 ( 0.337 0.000 2.715) 2.736 36.023 ( 1.081 0.000 -2.998) 3.187 36.224 ( -14.494 0.000 2.024) 14.635 36.310 ( 38.722 0.000 -2.094) 38.779 39.308 ( 0.567 0.000 4.792) 4.825 39.505 ( -9.420 0.000 -4.597) 10.481 40.699 ( -2.979 0.000 4.189) 5.140 40.861 ( 2.323 0.000 -3.478) 4.183 76.554 ( -4.622 0.000 2.782) 5.395 76.707 ( 6.367 0.000 -4.665) 7.893 79.170 ( -3.606 0.000 17.001) 17.380 79.873 ( -9.122 0.000 -16.191) 18.584 ======================= Grid point 155 (70/136) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.398 0.000 22.009) 22.140 1.382 ( 11.505 0.000 22.680) 25.431 1.751 ( 9.160 0.000 -19.623) 21.656 1.794 ( 0.924 0.000 -22.223) 22.242 2.101 ( 10.281 0.000 31.178) 32.829 2.305 ( -3.789 0.000 -5.498) 6.677 2.393 ( 6.176 0.000 7.228) 9.507 2.655 ( -3.989 0.000 -12.386) 13.012 2.760 ( -1.627 0.000 -0.165) 1.635 2.906 ( -5.373 0.000 -0.971) 5.460 3.030 ( 2.788 0.000 3.974) 4.855 3.060 ( 8.520 0.000 -13.870) 16.278 3.096 ( -5.132 0.000 -0.830) 5.198 3.429 ( 7.071 0.000 -3.919) 8.084 3.460 ( 0.872 0.000 1.164) 1.454 3.616 ( 4.817 0.000 0.751) 4.875 4.075 ( -2.446 0.000 4.107) 4.780 4.168 ( 0.743 0.000 0.614) 0.964 4.260 ( -12.420 0.000 -5.268) 13.491 4.401 ( 5.371 0.000 5.777) 7.888 4.518 ( 0.246 0.000 5.710) 5.715 4.814 ( -4.887 0.000 -3.881) 6.241 4.928 ( 7.081 0.000 5.365) 8.884 4.989 ( 7.759 0.000 -5.947) 9.775 5.050 ( -2.823 0.000 4.187) 5.050 5.238 ( -0.182 0.000 -1.779) 1.788 5.596 ( 0.838 0.000 3.324) 3.428 5.623 ( -1.645 0.000 -1.741) 2.396 5.722 ( -4.278 0.000 -5.308) 6.818 5.761 ( 2.732 0.000 4.088) 4.917 6.198 ( -10.643 0.000 -1.407) 10.736 6.560 ( -8.884 0.000 -2.972) 9.368 6.726 ( 7.094 0.000 -4.300) 8.295 6.979 ( 2.493 0.000 -1.961) 3.172 7.947 ( -11.193 0.000 -4.031) 11.897 8.025 ( 0.417 0.000 6.227) 6.241 12.232 ( -2.539 0.000 0.213) 2.548 12.237 ( -1.021 0.000 0.117) 1.028 12.367 ( -1.538 0.000 2.243) 2.719 12.436 ( 0.571 0.000 0.150) 0.590 12.512 ( 0.371 0.000 2.213) 2.244 12.550 ( -0.507 0.000 -2.159) 2.218 13.461 ( -2.879 0.000 0.923) 3.023 13.573 ( 2.822 0.000 0.335) 2.842 15.792 ( -3.128 0.000 2.777) 4.183 15.998 ( 2.725 0.000 -2.465) 3.675 16.584 ( 0.900 0.000 0.814) 1.213 16.620 ( 1.191 0.000 -0.575) 1.322 16.820 ( 1.314 0.000 -0.623) 1.454 16.824 ( 1.020 0.000 -0.589) 1.178 16.979 ( -0.169 0.000 1.359) 1.370 17.045 ( 0.730 0.000 -1.254) 1.451 17.822 ( -2.165 0.000 0.637) 2.256 17.908 ( -3.270 0.000 -0.326) 3.286 17.956 ( 0.062 0.000 0.656) 0.659 17.967 ( 2.976 0.000 -0.929) 3.117 24.798 ( -2.679 0.000 -0.949) 2.842 24.879 ( 3.359 0.000 2.062) 3.941 25.196 ( 0.094 0.000 2.986) 2.988 25.314 ( 0.674 0.000 -3.318) 3.386 28.258 ( -1.032 0.000 0.479) 1.138 28.306 ( -0.277 0.000 0.573) 0.636 28.381 ( 0.357 0.000 -1.053) 1.112 28.444 ( 1.262 0.000 -2.323) 2.644 28.874 ( -1.278 0.000 4.488) 4.667 28.964 ( -1.179 0.000 -3.373) 3.573 30.695 ( -3.442 0.000 1.017) 3.589 30.734 ( 3.246 0.000 4.716) 5.725 33.533 ( -10.740 0.000 13.213) 17.027 34.046 ( -1.302 0.000 -13.372) 13.436 34.078 ( -28.263 0.000 16.190) 32.572 34.818 ( 1.418 0.000 3.432) 3.713 35.900 ( -13.265 0.000 -4.506) 14.009 35.952 ( 2.930 0.000 2.325) 3.741 36.073 ( 3.213 0.000 -3.919) 5.067 36.658 ( 8.737 0.000 -6.773) 11.055 39.412 ( 5.329 0.000 7.901) 9.531 39.550 ( 14.269 0.000 -8.577) 16.649 40.715 ( 0.720 0.000 3.798) 3.866 40.906 ( 5.003 0.000 -2.455) 5.573 76.496 ( -3.666 0.000 1.628) 4.011 76.786 ( 5.743 0.000 -3.809) 6.891 79.281 ( 0.278 0.000 20.806) 20.808 79.769 ( 6.819 0.000 -15.084) 16.554 ======================= Grid point 156 (71/136) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 7.549 0.000 18.489) 19.970 1.625 ( -0.406 0.000 -8.701) 8.711 1.711 ( 7.414 0.000 -19.488) 20.851 1.782 ( 10.213 0.000 1.172) 10.280 2.202 ( -1.103 0.000 -5.433) 5.544 2.471 ( 12.001 0.000 10.350) 15.848 2.573 ( 4.987 0.000 11.464) 12.501 2.620 ( 6.534 0.000 -7.972) 10.308 2.744 ( -0.422 0.000 5.619) 5.634 2.842 ( -1.136 0.000 1.957) 2.263 2.992 ( -4.460 0.000 -0.683) 4.512 3.093 ( 4.626 0.000 -10.291) 11.283 3.133 ( 5.777 0.000 3.368) 6.687 3.475 ( 1.223 0.000 -2.553) 2.831 3.533 ( 5.053 0.000 1.315) 5.221 3.675 ( -1.104 0.000 -3.703) 3.864 4.011 ( -6.464 0.000 -0.361) 6.474 4.065 ( -1.813 0.000 3.681) 4.103 4.226 ( 3.130 0.000 0.962) 3.275 4.516 ( 3.569 0.000 5.042) 6.177 4.623 ( 3.239 0.000 5.198) 6.124 4.720 ( -1.628 0.000 -1.601) 2.284 4.919 ( -9.238 0.000 -5.942) 10.984 5.039 ( -0.715 0.000 3.056) 3.139 5.091 ( 5.786 0.000 5.384) 7.903 5.261 ( -0.704 0.000 3.528) 3.598 5.553 ( -4.422 0.000 -3.345) 5.544 5.595 ( -0.078 0.000 -2.312) 2.313 5.687 ( 1.831 0.000 -0.307) 1.857 5.808 ( 0.050 0.000 1.843) 1.843 6.004 ( -6.973 0.000 -4.599) 8.353 6.365 ( -7.197 0.000 -9.423) 11.857 6.752 ( -0.040 0.000 -2.921) 2.921 6.979 ( -1.592 0.000 -0.133) 1.598 7.725 ( -10.070 0.000 -3.468) 10.650 8.031 ( -4.427 0.000 5.439) 7.013 12.190 ( -2.405 0.000 0.692) 2.503 12.214 ( -1.400 0.000 -0.105) 1.403 12.363 ( -0.890 0.000 2.313) 2.478 12.445 ( 0.220 0.000 0.521) 0.566 12.525 ( -0.395 0.000 -2.270) 2.304 12.532 ( 0.063 0.000 2.053) 2.054 13.430 ( -1.655 0.000 1.490) 2.227 13.632 ( 3.069 0.000 0.760) 3.162 15.768 ( -1.545 0.000 2.403) 2.857 16.028 ( 2.511 0.000 -2.157) 3.311 16.609 ( 1.017 0.000 0.912) 1.366 16.641 ( 1.338 0.000 -0.119) 1.343 16.841 ( 1.134 0.000 -0.399) 1.202 16.843 ( 1.551 0.000 -0.732) 1.715 16.989 ( 0.340 0.000 0.899) 0.962 17.037 ( -0.540 0.000 -1.602) 1.690 17.790 ( -1.297 0.000 -0.482) 1.384 17.846 ( -3.408 0.000 0.437) 3.436 17.949 ( -1.058 0.000 -0.046) 1.059 18.007 ( 2.268 0.000 -1.237) 2.584 24.752 ( -1.883 0.000 -0.387) 1.922 24.952 ( 3.155 0.000 1.612) 3.543 25.228 ( 1.083 0.000 2.283) 2.527 25.300 ( 0.112 0.000 -2.445) 2.448 28.247 ( -0.388 0.000 -0.016) 0.389 28.296 ( -1.122 0.000 0.642) 1.293 28.384 ( 0.916 0.000 -1.484) 1.745 28.451 ( 0.979 0.000 -1.172) 1.527 28.860 ( -3.517 0.000 3.998) 5.324 28.918 ( -0.990 0.000 -3.429) 3.569 30.687 ( 0.509 0.000 2.443) 2.496 30.839 ( 3.762 0.000 5.771) 6.889 33.380 ( -15.185 0.000 13.195) 20.117 33.831 ( -15.863 0.000 17.573) 23.674 33.911 ( -2.765 0.000 -12.260) 12.568 34.642 ( -19.097 0.000 -6.606) 20.207 35.744 ( -0.348 0.000 -2.453) 2.477 36.035 ( 4.711 0.000 1.056) 4.828 36.161 ( 8.714 0.000 -2.559) 9.082 36.691 ( 1.323 0.000 -3.434) 3.680 39.580 ( 5.030 0.000 10.621) 11.752 39.754 ( 15.947 0.000 -13.181) 20.690 40.761 ( 1.039 0.000 3.920) 4.056 40.993 ( 5.389 0.000 -0.457) 5.409 76.450 ( -2.354 0.000 0.962) 2.543 76.850 ( 3.719 0.000 -2.834) 4.676 79.450 ( -0.327 0.000 23.591) 23.594 79.809 ( 9.108 0.000 -16.252) 18.630 ======================= Grid point 157 (72/136) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.076 0.000 -15.723) 15.723 1.493 ( 6.419 0.000 13.534) 14.979 1.782 ( 13.492 0.000 -14.121) 19.531 1.989 ( 5.342 0.000 8.701) 10.210 2.173 ( 1.533 0.000 -6.732) 6.905 2.642 ( -0.626 0.000 6.685) 6.714 2.695 ( 3.950 0.000 0.492) 3.980 2.699 ( 7.847 0.000 1.086) 7.922 2.800 ( 0.150 0.000 1.150) 1.160 2.900 ( 4.427 0.000 1.870) 4.806 2.992 ( 2.380 0.000 6.802) 7.206 3.091 ( 3.594 0.000 -8.115) 8.875 3.311 ( 10.270 0.000 5.326) 11.569 3.459 ( -7.111 0.000 -1.729) 7.318 3.487 ( -3.529 0.000 -7.000) 7.839 3.620 ( 3.248 0.000 0.443) 3.278 4.069 ( 0.122 0.000 2.339) 2.342 4.089 ( 7.804 0.000 6.564) 10.198 4.277 ( 1.657 0.000 -0.280) 1.680 4.557 ( -6.094 0.000 -3.619) 7.087 4.612 ( 2.977 0.000 4.962) 5.786 4.641 ( -14.457 0.000 -8.170) 16.605 4.799 ( 1.743 0.000 7.161) 7.370 5.099 ( 4.460 0.000 3.321) 5.560 5.176 ( 0.074 0.000 0.782) 0.786 5.228 ( -6.866 0.000 9.313) 11.570 5.445 ( -1.397 0.000 -7.004) 7.142 5.586 ( -2.133 0.000 2.024) 2.940 5.720 ( 1.418 0.000 0.458) 1.490 5.799 ( -0.737 0.000 -1.330) 1.521 5.900 ( -2.486 0.000 -2.401) 3.456 6.189 ( -1.778 0.000 -15.473) 15.574 6.725 ( -0.608 0.000 -0.746) 0.963 6.927 ( -4.478 0.000 1.204) 4.637 7.551 ( -6.522 0.000 -2.709) 7.062 7.953 ( -7.568 0.000 3.447) 8.316 12.159 ( -1.452 0.000 0.371) 1.499 12.189 ( -1.234 0.000 -0.249) 1.258 12.368 ( -0.574 0.000 2.664) 2.725 12.451 ( -0.107 0.000 0.721) 0.729 12.505 ( -0.072 0.000 -2.189) 2.190 12.541 ( -0.587 0.000 1.527) 1.636 13.421 ( -0.860 0.000 2.289) 2.445 13.686 ( 2.397 0.000 0.172) 2.403 15.772 ( -0.023 0.000 2.433) 2.433 16.055 ( 2.100 0.000 -2.224) 3.058 16.632 ( 0.709 0.000 1.043) 1.261 16.663 ( 0.994 0.000 0.099) 0.999 16.852 ( 0.454 0.000 -0.912) 1.019 16.859 ( 0.706 0.000 -0.773) 1.047 17.002 ( 0.516 0.000 0.467) 0.696 17.008 ( -1.130 0.000 -1.490) 1.870 17.771 ( -0.189 0.000 -1.252) 1.266 17.795 ( -2.813 0.000 0.812) 2.928 17.924 ( -1.261 0.000 -0.548) 1.374 18.029 ( 1.397 0.000 -1.670) 2.177 24.726 ( -1.109 0.000 0.818) 1.378 25.007 ( 2.157 0.000 -0.071) 2.159 25.262 ( 1.047 0.000 1.578) 1.893 25.283 ( -0.344 0.000 -1.371) 1.414 28.246 ( 0.462 0.000 -0.462) 0.653 28.279 ( -1.139 0.000 0.418) 1.213 28.391 ( 1.033 0.000 -1.324) 1.680 28.461 ( 0.678 0.000 -0.296) 0.740 28.814 ( -4.407 0.000 3.436) 5.588 28.882 ( -0.373 0.000 -3.100) 3.123 30.732 ( 1.868 0.000 3.150) 3.662 30.937 ( 2.356 0.000 5.257) 5.761 33.222 ( -12.347 0.000 11.914) 17.158 33.693 ( -13.701 0.000 15.445) 20.646 33.786 ( -1.621 0.000 -10.763) 10.884 34.190 ( -18.343 0.000 -16.223) 24.487 35.776 ( 2.708 0.000 1.441) 3.068 36.125 ( 4.893 0.000 -0.901) 4.975 36.326 ( 9.946 0.000 -0.181) 9.947 36.689 ( 0.811 0.000 -1.956) 2.117 39.722 ( 2.118 0.000 10.393) 10.606 39.917 ( 13.083 0.000 -13.322) 18.672 40.806 ( 0.651 0.000 4.467) 4.514 41.072 ( 2.962 0.000 0.662) 3.035 76.430 ( -0.436 0.000 0.879) 0.981 76.869 ( 0.396 0.000 -2.425) 2.457 79.581 ( -3.906 0.000 22.113) 22.456 79.847 ( 7.544 0.000 -14.112) 16.001 ======================= Grid point 158 (73/136) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 11.026 0.000 -0.474) 11.036 1.679 ( 6.429 0.000 7.429) 9.824 1.950 ( 13.630 0.000 -9.316) 16.510 2.075 ( -0.054 0.000 2.116) 2.116 2.158 ( 1.042 0.000 -2.844) 3.028 2.633 ( -4.524 0.000 3.390) 5.653 2.742 ( -0.765 0.000 2.039) 2.178 2.793 ( -0.566 0.000 5.933) 5.960 2.835 ( 3.227 0.000 2.317) 3.972 2.971 ( 2.356 0.000 1.855) 2.998 3.104 ( 5.761 0.000 1.648) 5.992 3.125 ( 4.521 0.000 -4.387) 6.299 3.269 ( -5.060 0.000 -2.748) 5.758 3.483 ( 3.730 0.000 -1.430) 3.994 3.510 ( 3.885 0.000 -1.920) 4.334 3.661 ( 1.972 0.000 1.266) 2.344 4.107 ( 2.764 0.000 -0.152) 2.768 4.197 ( -3.778 0.000 0.237) 3.785 4.321 ( -12.008 0.000 -9.024) 15.021 4.355 ( 8.977 0.000 5.541) 10.549 4.416 ( -6.145 0.000 -2.709) 6.716 4.708 ( 3.760 0.000 4.013) 5.500 4.858 ( 0.800 0.000 4.414) 4.486 5.106 ( -9.193 0.000 7.628) 11.946 5.164 ( 1.548 0.000 -1.212) 1.966 5.167 ( -5.090 0.000 0.271) 5.097 5.466 ( 7.467 0.000 -4.105) 8.521 5.527 ( -7.819 0.000 6.694) 10.293 5.739 ( 0.733 0.000 -0.997) 1.237 5.768 ( -1.596 0.000 -1.950) 2.520 5.863 ( -0.186 0.000 -0.863) 0.883 6.092 ( 2.752 0.000 -13.357) 13.637 6.733 ( 2.145 0.000 -1.077) 2.400 6.845 ( -5.688 0.000 2.121) 6.071 7.465 ( -1.404 0.000 -0.966) 1.704 7.824 ( -8.281 0.000 1.119) 8.356 12.143 ( -0.432 0.000 -0.115) 0.447 12.168 ( -0.863 0.000 -0.341) 0.928 12.380 ( -0.548 0.000 3.196) 3.242 12.452 ( -0.369 0.000 0.635) 0.734 12.494 ( 0.630 0.000 -1.908) 2.010 12.533 ( -1.173 0.000 0.867) 1.459 13.432 ( -0.202 0.000 3.390) 3.396 13.713 ( 0.924 0.000 -1.377) 1.658 15.800 ( 0.865 0.000 2.884) 3.010 16.066 ( 1.064 0.000 -2.799) 2.994 16.648 ( 0.243 0.000 0.989) 1.018 16.677 ( 0.536 0.000 -0.027) 0.536 16.843 ( -0.027 0.000 -1.934) 1.934 16.857 ( -0.184 0.000 -0.849) 0.869 16.987 ( -0.419 0.000 -0.248) 0.487 17.012 ( 0.360 0.000 0.083) 0.369 17.757 ( -2.175 0.000 0.996) 2.392 17.764 ( 0.573 0.000 -1.511) 1.616 17.904 ( -0.453 0.000 -0.160) 0.480 18.032 ( 0.451 0.000 -2.280) 2.324 24.726 ( -0.181 0.000 2.309) 2.316 25.023 ( 0.470 0.000 -2.440) 2.485 25.274 ( 0.098 0.000 -0.190) 0.214 25.286 ( 0.550 0.000 0.992) 1.134 28.255 ( 1.096 0.000 -0.884) 1.408 28.263 ( -0.950 0.000 0.316) 1.001 28.404 ( 1.279 0.000 -0.805) 1.511 28.467 ( -0.150 0.000 0.096) 0.178 28.761 ( -3.883 0.000 3.086) 4.960 28.859 ( 0.142 0.000 -2.829) 2.833 30.792 ( 1.831 0.000 4.005) 4.403 30.991 ( 0.092 0.000 3.363) 3.365 33.111 ( -9.012 0.000 10.125) 13.555 33.560 ( -12.673 0.000 13.368) 18.420 33.696 ( -0.711 0.000 -11.146) 11.169 33.836 ( -6.306 0.000 -15.621) 16.846 35.841 ( 2.508 0.000 3.316) 4.157 36.185 ( 3.212 0.000 -3.102) 4.465 36.486 ( 7.120 0.000 0.979) 7.187 36.691 ( 0.621 0.000 -1.256) 1.401 39.802 ( -0.917 0.000 8.632) 8.681 40.034 ( 10.377 0.000 -12.208) 16.022 40.851 ( 0.513 0.000 5.158) 5.184 41.103 ( 0.214 0.000 0.145) 0.258 76.448 ( 1.460 0.000 1.478) 2.077 76.829 ( -2.641 0.000 -2.779) 3.833 79.628 ( -6.586 0.000 17.514) 18.712 79.884 ( 7.037 0.000 -10.983) 13.044 ======================= Grid point 159 (74/136) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 10.783 0.000 10.839) 15.289 1.845 ( 8.043 0.000 3.108) 8.623 2.060 ( -0.432 0.000 -2.250) 2.291 2.111 ( 10.555 0.000 -6.735) 12.520 2.175 ( 3.849 0.000 1.081) 3.998 2.530 ( -9.686 0.000 1.811) 9.853 2.708 ( -2.405 0.000 0.210) 2.414 2.765 ( -6.489 0.000 4.917) 8.142 2.923 ( 1.383 0.000 7.142) 7.274 3.029 ( 2.124 0.000 1.745) 2.749 3.153 ( -0.352 0.000 0.410) 0.540 3.158 ( -2.022 0.000 -2.063) 2.888 3.267 ( 4.791 0.000 1.267) 4.956 3.434 ( -0.675 0.000 -8.752) 8.778 3.563 ( 2.730 0.000 -2.010) 3.390 3.700 ( -0.581 0.000 2.123) 2.201 4.036 ( -5.219 0.000 -8.748) 10.187 4.064 ( -7.233 0.000 -3.927) 8.231 4.249 ( 7.065 0.000 -2.302) 7.431 4.298 ( -5.316 0.000 -0.665) 5.357 4.589 ( 9.727 0.000 7.944) 12.559 4.808 ( 4.330 0.000 3.346) 5.472 4.882 ( -1.259 0.000 2.693) 2.973 4.985 ( -10.917 0.000 8.273) 13.697 5.062 ( -4.580 0.000 -2.471) 5.204 5.198 ( 5.696 0.000 -5.064) 7.622 5.417 ( -9.624 0.000 7.233) 12.039 5.571 ( 5.141 0.000 -1.642) 5.397 5.714 ( -1.872 0.000 -2.958) 3.501 5.737 ( 0.833 0.000 -1.964) 2.134 5.882 ( 1.878 0.000 0.668) 1.994 6.087 ( 5.075 0.000 -9.094) 10.414 6.763 ( -5.151 0.000 2.431) 5.696 6.777 ( 3.633 0.000 -1.667) 3.997 7.487 ( 3.652 0.000 1.223) 3.852 7.686 ( -6.752 0.000 -1.129) 6.845 12.141 ( 0.414 0.000 -0.463) 0.621 12.154 ( -0.352 0.000 -0.450) 0.571 12.393 ( -0.724 0.000 3.521) 3.595 12.448 ( -0.502 0.000 0.492) 0.703 12.501 ( 1.492 0.000 -1.347) 2.010 12.513 ( -1.462 0.000 0.168) 1.471 13.462 ( 0.295 0.000 4.612) 4.621 13.698 ( -0.630 0.000 -3.055) 3.119 15.840 ( 0.976 0.000 3.527) 3.660 16.051 ( -0.173 0.000 -3.631) 3.635 16.654 ( -0.292 0.000 0.862) 0.911 16.681 ( 0.163 0.000 -0.314) 0.354 16.834 ( 0.710 0.000 -1.820) 1.954 16.843 ( -0.552 0.000 -1.028) 1.167 16.986 ( 0.057 0.000 0.622) 0.625 17.015 ( 0.006 0.000 -0.201) 0.201 17.731 ( -1.594 0.000 1.047) 1.907 17.768 ( 0.908 0.000 -1.409) 1.676 17.907 ( 0.503 0.000 0.657) 0.828 18.013 ( -0.388 0.000 -2.858) 2.884 24.753 ( 0.724 0.000 3.699) 3.769 24.990 ( -1.184 0.000 -4.156) 4.321 25.285 ( 0.938 0.000 0.378) 1.011 25.296 ( -0.046 0.000 0.494) 0.496 28.250 ( -0.771 0.000 0.304) 0.828 28.269 ( 1.260 0.000 -1.226) 1.758 28.426 ( 1.515 0.000 -0.218) 1.530 28.454 ( -1.316 0.000 0.059) 1.317 28.727 ( -2.340 0.000 3.093) 3.878 28.846 ( 0.691 0.000 -2.730) 2.816 30.853 ( 1.407 0.000 5.012) 5.205 30.990 ( -1.910 0.000 1.287) 2.303 33.044 ( -6.288 0.000 9.089) 11.052 33.440 ( -10.481 0.000 11.610) 15.641 33.575 ( 0.188 0.000 -14.514) 14.515 33.771 ( 6.168 0.000 -9.217) 11.090 35.910 ( 1.774 0.000 4.738) 5.059 36.189 ( 0.476 0.000 -4.914) 4.937 36.586 ( 3.040 0.000 1.433) 3.361 36.686 ( -0.504 0.000 -1.033) 1.149 39.816 ( -3.737 0.000 7.015) 7.949 40.116 ( 8.238 0.000 -11.115) 13.835 40.901 ( 0.657 0.000 5.843) 5.880 41.088 ( -1.318 0.000 -1.024) 1.669 76.501 ( 2.620 0.000 2.713) 3.772 76.744 ( -3.872 0.000 -3.598) 5.285 79.609 ( -7.746 0.000 13.108) 15.226 79.951 ( 8.608 0.000 -8.655) 12.207 ======================= Grid point 160 (75/136) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -8.377 0.000 5.830) 10.206 2.001 ( 6.935 0.000 0.077) 6.935 2.046 ( 2.393 0.000 -6.196) 6.642 2.218 ( 3.729 0.000 -7.522) 8.395 2.280 ( -16.069 0.000 0.324) 16.072 2.425 ( 16.399 0.000 8.102) 18.291 2.668 ( -6.055 0.000 3.127) 6.815 2.703 ( 1.226 0.000 3.824) 4.015 2.946 ( -4.412 0.000 4.747) 6.481 3.034 ( -4.651 0.000 2.882) 5.471 3.038 ( -6.709 0.000 -0.921) 6.772 3.140 ( -0.384 0.000 1.472) 1.522 3.363 ( 1.638 0.000 -4.466) 4.757 3.374 ( -2.543 0.000 -4.016) 4.753 3.604 ( 5.060 0.000 5.007) 7.118 3.639 ( -5.461 0.000 -3.095) 6.277 3.942 ( -2.639 0.000 -3.717) 4.559 3.970 ( 2.830 0.000 -3.008) 4.130 4.211 ( -3.634 0.000 -0.948) 3.756 4.382 ( 9.048 0.000 -3.109) 9.567 4.790 ( 4.210 0.000 7.459) 8.565 4.805 ( -10.964 0.000 2.263) 11.195 4.871 ( 0.634 0.000 1.532) 1.658 4.918 ( 1.476 0.000 4.579) 4.811 5.002 ( 0.905 0.000 -3.194) 3.320 5.286 ( 6.974 0.000 -3.983) 8.031 5.309 ( -7.656 0.000 7.852) 10.967 5.588 ( -3.012 0.000 1.817) 3.518 5.701 ( 3.909 0.000 -5.286) 6.575 5.754 ( 1.987 0.000 -0.356) 2.018 5.919 ( 1.628 0.000 0.236) 1.645 6.116 ( 5.593 0.000 -10.818) 12.178 6.705 ( -2.761 0.000 1.883) 3.342 6.831 ( 3.391 0.000 -1.075) 3.558 7.577 ( -3.419 0.000 -3.022) 4.563 7.603 ( 7.318 0.000 2.890) 7.868 12.150 ( 0.435 0.000 -0.559) 0.708 12.150 ( 0.867 0.000 -0.583) 1.044 12.406 ( -0.644 0.000 3.573) 3.630 12.442 ( -0.566 0.000 0.571) 0.804 12.486 ( -1.362 0.000 -0.548) 1.468 12.525 ( 1.866 0.000 -0.752) 2.012 13.507 ( 0.527 0.000 5.659) 5.683 13.652 ( -1.519 0.000 -4.007) 4.286 15.881 ( 0.340 0.000 4.088) 4.102 16.011 ( -0.875 0.000 -4.291) 4.379 16.652 ( -0.508 0.000 0.929) 1.059 16.680 ( 0.013 0.000 -0.333) 0.333 16.825 ( -0.424 0.000 -1.241) 1.312 16.842 ( 1.232 0.000 -1.281) 1.778 16.994 ( 0.158 0.000 0.736) 0.753 17.009 ( -0.411 0.000 -0.346) 0.537 17.714 ( -1.093 0.000 0.984) 1.471 17.776 ( 1.003 0.000 -1.095) 1.485 17.928 ( 0.900 0.000 1.278) 1.563 17.979 ( -0.858 0.000 -3.086) 3.203 24.802 ( 1.262 0.000 4.632) 4.801 24.929 ( -1.910 0.000 -4.615) 4.994 25.293 ( -0.417 0.000 0.117) 0.433 25.307 ( 1.231 0.000 0.057) 1.233 28.240 ( -0.553 0.000 0.248) 0.606 28.280 ( 0.902 0.000 -1.296) 1.579 28.425 ( -1.676 0.000 -0.163) 1.684 28.452 ( 1.316 0.000 0.174) 1.328 28.720 ( -1.132 0.000 3.204) 3.398 28.846 ( 1.604 0.000 -2.621) 3.073 30.916 ( 1.322 0.000 5.953) 6.098 30.946 ( -3.393 0.000 -0.010) 3.393 33.017 ( -4.326 0.000 9.907) 10.810 33.360 ( -7.148 0.000 10.318) 12.552 33.531 ( 5.990 0.000 -13.131) 14.433 33.867 ( 11.340 0.000 -8.631) 14.251 35.969 ( 0.536 0.000 5.547) 5.573 36.134 ( -2.177 0.000 -5.834) 6.227 36.618 ( -0.801 0.000 2.021) 2.174 36.651 ( -2.565 0.000 -1.502) 2.972 39.772 ( -6.354 0.000 6.118) 8.820 40.170 ( 6.678 0.000 -10.561) 12.495 40.958 ( 0.795 0.000 6.312) 6.362 41.048 ( -1.754 0.000 -2.028) 2.682 76.574 ( 2.491 0.000 4.287) 4.958 76.651 ( -3.012 0.000 -4.495) 5.411 79.547 ( -8.582 0.000 10.605) 13.643 80.074 ( 12.019 0.000 -8.068) 14.476 ======================= Grid point 161 (76/136) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -15.347 0.000 3.628) 15.770 1.777 ( -25.979 0.000 -7.228) 26.966 2.057 ( 5.231 0.000 -10.128) 11.399 2.116 ( 3.366 0.000 -5.150) 6.152 2.288 ( 2.014 0.000 -2.204) 2.986 2.615 ( -5.715 0.000 6.686) 8.796 2.651 ( 5.625 0.000 -0.735) 5.673 2.813 ( -1.764 0.000 4.943) 5.248 2.849 ( -7.407 0.000 4.661) 8.751 2.936 ( -5.741 0.000 2.172) 6.138 2.970 ( -0.841 0.000 10.598) 10.631 3.154 ( 0.871 0.000 -1.189) 1.474 3.262 ( -4.137 0.000 -3.726) 5.568 3.289 ( -3.459 0.000 -1.526) 3.781 3.516 ( -4.457 0.000 -3.709) 5.799 3.797 ( 4.362 0.000 -0.879) 4.450 3.934 ( 6.982 0.000 6.324) 9.420 4.036 ( 3.237 0.000 2.631) 4.171 4.166 ( -0.068 0.000 -1.788) 1.790 4.499 ( 3.668 0.000 -3.029) 4.756 4.612 ( -7.450 0.000 -2.577) 7.883 4.786 ( -3.441 0.000 0.882) 3.552 4.957 ( 1.258 0.000 2.465) 2.768 4.988 ( 4.874 0.000 5.704) 7.502 5.042 ( 4.437 0.000 -1.646) 4.732 5.281 ( -1.497 0.000 6.328) 6.502 5.352 ( 0.016 0.000 1.370) 1.370 5.563 ( 0.706 0.000 1.403) 1.571 5.723 ( 1.190 0.000 -3.610) 3.801 5.796 ( 2.012 0.000 1.462) 2.487 5.948 ( 2.787 0.000 -2.000) 3.430 6.109 ( 4.071 0.000 -16.551) 17.044 6.696 ( 0.753 0.000 0.493) 0.900 6.880 ( 2.286 0.000 0.283) 2.304 7.529 ( 0.988 0.000 -4.017) 4.136 7.779 ( 9.365 0.000 3.554) 10.016 12.159 ( 1.139 0.000 -0.597) 1.286 12.166 ( 1.236 0.000 -0.521) 1.341 12.422 ( -0.428 0.000 3.427) 3.454 12.435 ( -0.914 0.000 0.845) 1.245 12.461 ( -0.594 0.000 -1.065) 1.219 12.553 ( 1.689 0.000 -0.455) 1.749 13.560 ( 0.455 0.000 6.060) 6.077 13.594 ( -1.523 0.000 -4.022) 4.301 15.907 ( -0.884 0.000 4.350) 4.439 15.964 ( -0.664 0.000 -4.603) 4.650 16.654 ( -0.105 0.000 1.240) 1.245 16.676 ( -0.265 0.000 -0.282) 0.386 16.811 ( -0.089 0.000 -1.167) 1.171 16.854 ( 0.915 0.000 -0.979) 1.340 16.996 ( -0.768 0.000 -0.355) 0.847 17.001 ( 0.188 0.000 0.453) 0.491 17.705 ( -0.696 0.000 0.912) 1.148 17.788 ( 1.025 0.000 -0.587) 1.181 17.943 ( -0.745 0.000 -2.605) 2.709 17.952 ( 0.556 0.000 1.459) 1.562 24.859 ( 1.117 0.000 4.816) 4.944 24.862 ( -1.870 0.000 -4.133) 4.536 25.286 ( -0.283 0.000 -0.079) 0.294 25.326 ( 1.145 0.000 -0.727) 1.356 28.235 ( -0.189 0.000 0.119) 0.223 28.282 ( 0.233 0.000 -0.880) 0.911 28.397 ( -1.057 0.000 -0.529) 1.182 28.470 ( 0.421 0.000 0.146) 0.445 28.728 ( -0.795 0.000 3.334) 3.428 28.868 ( 2.885 0.000 -2.270) 3.671 30.873 ( -4.436 0.000 -0.388) 4.453 30.989 ( 1.949 0.000 6.064) 6.369 33.043 ( -1.992 0.000 14.508) 14.644 33.336 ( -3.670 0.000 9.687) 10.359 33.590 ( 10.574 0.000 -12.288) 16.211 34.036 ( 14.324 0.000 -9.462) 17.167 36.006 ( -0.757 0.000 5.404) 5.457 36.036 ( -3.796 0.000 -5.728) 6.872 36.567 ( -5.201 0.000 -2.860) 5.935 36.595 ( -3.512 0.000 3.068) 4.664 39.681 ( -8.509 0.000 5.823) 10.311 40.202 ( 5.573 0.000 -10.910) 12.251 41.000 ( -1.681 0.000 -2.643) 3.132 41.017 ( 0.562 0.000 5.999) 6.026 76.580 ( -0.736 0.000 -5.163) 5.216 76.643 ( 0.947 0.000 5.643) 5.722 79.458 ( -9.693 0.000 10.107) 14.004 80.263 ( 16.094 0.000 -10.023) 18.960 ======================= Grid point 162 (77/136) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -25.056 0.000 -5.443) 25.640 1.369 ( -20.531 0.000 4.960) 21.121 2.064 ( 3.832 0.000 -13.418) 13.955 2.099 ( -1.079 0.000 -3.819) 3.968 2.246 ( -10.152 0.000 4.908) 11.276 2.447 ( -13.250 0.000 2.864) 13.556 2.684 ( -7.365 0.000 1.892) 7.604 2.731 ( 3.456 0.000 -0.076) 3.457 2.863 ( -1.501 0.000 4.170) 4.432 2.874 ( 1.020 0.000 3.904) 4.035 2.978 ( -3.102 0.000 -6.903) 7.568 3.169 ( 1.584 0.000 -1.922) 2.490 3.263 ( 1.461 0.000 0.844) 1.687 3.292 ( 2.580 0.000 9.322) 9.672 3.438 ( -2.235 0.000 -1.070) 2.478 3.720 ( -4.655 0.000 -5.850) 7.476 4.094 ( -0.401 0.000 5.314) 5.329 4.167 ( 1.646 0.000 -1.454) 2.196 4.252 ( 15.155 0.000 10.522) 18.450 4.342 ( -11.320 0.000 -2.967) 11.702 4.629 ( 5.563 0.000 -5.425) 7.770 4.724 ( -3.503 0.000 -0.334) 3.519 5.022 ( 4.219 0.000 1.820) 4.595 5.086 ( 2.013 0.000 4.557) 4.982 5.160 ( 8.596 0.000 3.418) 9.250 5.283 ( -10.080 0.000 6.374) 11.926 5.297 ( 0.164 0.000 -1.237) 1.248 5.637 ( 3.869 0.000 2.707) 4.722 5.688 ( -1.331 0.000 -4.638) 4.825 5.843 ( 1.669 0.000 1.646) 2.344 6.012 ( 0.410 0.000 -20.662) 20.666 6.013 ( 6.769 0.000 -2.093) 7.085 6.733 ( 3.396 0.000 -1.333) 3.648 6.913 ( 0.337 0.000 1.744) 1.777 7.557 ( 5.080 0.000 -3.375) 6.099 7.977 ( 9.764 0.000 2.925) 10.193 12.181 ( 1.731 0.000 -0.535) 1.812 12.187 ( 1.462 0.000 -0.351) 1.503 12.420 ( -1.039 0.000 0.250) 1.069 12.438 ( -0.409 0.000 2.876) 2.905 12.454 ( 0.254 0.000 -0.267) 0.369 12.576 ( 1.215 0.000 -0.456) 1.298 13.544 ( -0.886 0.000 -3.400) 3.514 13.607 ( 0.154 0.000 5.133) 5.136 15.910 ( -2.274 0.000 4.287) 4.853 15.927 ( 0.405 0.000 -4.600) 4.618 16.665 ( 0.292 0.000 0.806) 0.857 16.665 ( -0.698 0.000 -0.395) 0.802 16.809 ( 0.503 0.000 -0.026) 0.503 16.857 ( 0.106 0.000 -0.864) 0.870 16.978 ( -0.973 0.000 -0.164) 0.987 17.007 ( 0.269 0.000 0.007) 0.269 17.704 ( -0.217 0.000 1.304) 1.322 17.804 ( 1.055 0.000 0.127) 1.063 17.921 ( -0.008 0.000 -1.285) 1.285 17.965 ( -0.260 0.000 1.282) 1.308 24.807 ( -1.331 0.000 -2.984) 3.267 24.905 ( 0.231 0.000 4.109) 4.116 25.285 ( 0.280 0.000 -0.280) 0.396 25.337 ( 1.007 0.000 -1.711) 1.985 28.236 ( 0.372 0.000 -0.030) 0.373 28.278 ( -0.236 0.000 -0.036) 0.239 28.380 ( -0.315 0.000 -0.802) 0.862 28.467 ( -0.705 0.000 -0.173) 0.726 28.738 ( -0.855 0.000 3.631) 3.731 28.915 ( 3.756 0.000 -1.813) 4.171 30.787 ( -4.778 0.000 -0.106) 4.780 31.068 ( 2.671 0.000 3.152) 4.131 33.200 ( 5.206 0.000 25.585) 26.109 33.365 ( -1.242 0.000 10.597) 10.669 33.722 ( 13.653 0.000 -12.060) 18.217 34.225 ( 14.381 0.000 -10.553) 17.837 35.926 ( -3.866 0.000 -4.978) 6.303 36.021 ( -1.368 0.000 4.124) 4.345 36.417 ( -8.535 0.000 -5.055) 9.920 36.546 ( -4.788 0.000 4.453) 6.539 39.558 ( -9.683 0.000 5.663) 11.217 40.209 ( 4.483 0.000 -12.707) 13.475 40.951 ( -1.503 0.000 -2.956) 3.316 41.053 ( -1.024 0.000 3.671) 3.811 76.553 ( 2.039 0.000 -5.459) 5.827 76.682 ( -1.508 0.000 6.123) 6.306 79.350 ( -10.725 0.000 11.024) 15.380 80.482 ( 17.873 0.000 -16.324) 24.206 ======================= Grid point 163 (78/136) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -15.289 0.000 9.887) 18.207 1.042 ( -20.808 0.000 11.287) 23.672 1.918 ( -28.233 0.000 20.347) 34.801 1.971 ( -2.310 0.000 -14.729) 14.909 2.094 ( -1.231 0.000 -0.114) 1.237 2.318 ( -0.992 0.000 -9.522) 9.573 2.608 ( -2.479 0.000 -0.902) 2.638 2.781 ( -0.321 0.000 -0.057) 0.326 2.843 ( -1.361 0.000 3.252) 3.525 2.920 ( 7.170 0.000 -8.187) 10.882 2.921 ( -0.212 0.000 -0.903) 0.928 3.161 ( -0.899 0.000 -1.841) 2.049 3.337 ( 0.769 0.000 4.817) 4.878 3.342 ( -1.040 0.000 -2.425) 2.639 3.439 ( 3.109 0.000 3.911) 4.996 3.606 ( -3.560 0.000 -3.947) 5.315 4.083 ( -4.879 0.000 2.415) 5.444 4.161 ( -4.971 0.000 -0.111) 4.972 4.181 ( 1.132 0.000 -1.224) 1.667 4.565 ( 9.306 0.000 9.363) 13.201 4.661 ( -2.986 0.000 0.090) 2.988 4.676 ( 3.392 0.000 -2.974) 4.511 5.107 ( -0.485 0.000 1.334) 1.419 5.120 ( -11.364 0.000 7.996) 13.895 5.130 ( -1.017 0.000 2.055) 2.292 5.175 ( -1.543 0.000 -11.294) 11.399 5.474 ( 19.124 0.000 2.235) 19.254 5.609 ( -2.888 0.000 -3.019) 4.178 5.699 ( 0.666 0.000 0.547) 0.862 5.801 ( -3.974 0.000 -7.971) 8.907 5.924 ( 1.710 0.000 -3.371) 3.780 6.167 ( 9.774 0.000 1.819) 9.942 6.789 ( 4.576 0.000 -3.328) 5.659 6.910 ( -2.814 0.000 3.231) 4.285 7.655 ( 7.343 0.000 -1.011) 7.412 8.153 ( 8.011 0.000 0.435) 8.023 12.210 ( 1.769 0.000 -0.359) 1.805 12.214 ( 1.830 0.000 -0.217) 1.843 12.407 ( -0.342 0.000 0.075) 0.350 12.445 ( -0.731 0.000 1.704) 1.855 12.461 ( 0.434 0.000 0.466) 0.637 12.589 ( 0.661 0.000 -0.736) 0.989 13.515 ( 0.043 0.000 -2.508) 2.508 13.632 ( -0.586 0.000 2.174) 2.251 15.891 ( -3.109 0.000 4.143) 5.180 15.915 ( 1.917 0.000 -4.306) 4.713 16.646 ( -0.984 0.000 -0.623) 1.165 16.662 ( -0.856 0.000 -1.131) 1.418 16.829 ( 0.884 0.000 0.937) 1.289 16.846 ( -0.569 0.000 -0.899) 1.064 16.963 ( -0.718 0.000 0.910) 1.160 17.012 ( 0.511 0.000 -0.434) 0.670 17.727 ( 1.685 0.000 2.776) 3.247 17.827 ( 0.992 0.000 1.025) 1.426 17.926 ( 0.967 0.000 0.341) 1.026 17.961 ( -1.027 0.000 0.880) 1.353 24.775 ( -0.375 0.000 -1.463) 1.510 24.923 ( -0.951 0.000 2.759) 2.918 25.285 ( -0.094 0.000 -1.225) 1.229 25.338 ( 0.962 0.000 -2.697) 2.864 28.248 ( 1.040 0.000 -0.129) 1.048 28.277 ( -0.262 0.000 0.981) 1.015 28.377 ( 0.662 0.000 -0.655) 0.931 28.445 ( -1.407 0.000 -0.364) 1.454 28.752 ( -0.735 0.000 4.334) 4.395 28.968 ( 3.389 0.000 -1.685) 3.784 30.708 ( -4.008 0.000 0.567) 4.048 31.101 ( 0.574 0.000 -4.456) 4.493 33.416 ( -0.048 0.000 10.922) 10.923 33.725 ( 27.140 0.000 42.607) 50.517 33.894 ( 14.881 0.000 -11.876) 19.040 34.384 ( 11.720 0.000 -10.479) 15.722 35.827 ( -3.589 0.000 -5.112) 6.246 36.022 ( -0.752 0.000 1.790) 1.941 36.182 ( -13.033 0.000 -6.096) 14.388 36.489 ( -5.783 0.000 5.643) 8.080 39.426 ( -9.074 0.000 5.133) 10.425 40.160 ( 0.929 0.000 -17.345) 17.370 40.904 ( -1.153 0.000 -3.184) 3.386 41.000 ( -7.021 0.000 -0.938) 7.083 76.573 ( 4.495 0.000 -5.419) 7.040 76.674 ( -3.997 0.000 5.363) 6.689 79.241 ( -10.658 0.000 12.609) 16.510 80.591 ( 9.556 0.000 -29.156) 30.682 ======================= Grid point 164 (79/136) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -5.927 0.000 23.656) 24.387 0.870 ( -9.545 0.000 21.951) 23.936 1.622 ( -21.971 0.000 33.495) 40.058 1.818 ( -1.072 0.000 -15.840) 15.876 2.097 ( 1.151 0.000 -4.700) 4.839 2.228 ( -0.171 0.000 -9.483) 9.485 2.516 ( -5.870 0.000 -2.987) 6.586 2.800 ( 4.898 0.000 -3.681) 6.127 2.833 ( -3.504 0.000 2.052) 4.061 2.904 ( 1.741 0.000 -1.387) 2.226 3.070 ( 9.055 0.000 -3.239) 9.617 3.118 ( -0.204 0.000 -1.195) 1.212 3.232 ( -2.651 0.000 -16.500) 16.712 3.303 ( -6.060 0.000 2.479) 6.548 3.537 ( -0.311 0.000 5.414) 5.423 3.539 ( -1.176 0.000 -2.596) 2.850 4.057 ( 3.217 0.000 3.345) 4.641 4.135 ( -1.430 0.000 2.611) 2.977 4.184 ( -0.381 0.000 -0.221) 0.441 4.585 ( -3.092 0.000 -2.760) 4.145 4.668 ( -7.514 0.000 9.131) 11.825 4.716 ( 2.608 0.000 -0.490) 2.654 4.879 ( -8.296 0.000 -10.708) 13.546 5.031 ( -3.480 0.000 7.416) 8.192 5.099 ( -3.621 0.000 -1.886) 4.082 5.229 ( 5.633 0.000 -3.658) 6.717 5.575 ( 1.136 0.000 0.627) 1.298 5.603 ( -2.064 0.000 -5.183) 5.579 5.690 ( -1.074 0.000 -0.774) 1.323 5.917 ( -0.013 0.000 -3.006) 3.006 6.015 ( 24.056 0.000 9.601) 25.901 6.331 ( 4.006 0.000 5.266) 6.616 6.849 ( 5.755 0.000 -5.051) 7.657 6.854 ( -6.681 0.000 4.508) 8.060 7.793 ( 7.297 0.000 2.218) 7.627 8.240 ( 2.067 0.000 -3.796) 4.322 12.235 ( 1.104 0.000 -0.082) 1.107 12.247 ( 1.903 0.000 -0.431) 1.951 12.409 ( 0.435 0.000 0.176) 0.469 12.431 ( -1.813 0.000 0.486) 1.877 12.474 ( 0.392 0.000 1.059) 1.130 12.588 ( 0.091 0.000 -1.336) 1.340 13.510 ( 1.043 0.000 -1.548) 1.867 13.605 ( -3.011 0.000 -1.182) 3.235 15.864 ( -3.084 0.000 3.886) 4.961 15.932 ( 3.078 0.000 -3.724) 4.831 16.619 ( -2.621 0.000 -1.124) 2.851 16.624 ( -0.749 0.000 -0.865) 1.145 16.828 ( -0.538 0.000 -0.975) 1.114 16.831 ( -0.770 0.000 -0.670) 1.021 16.968 ( -0.297 0.000 2.190) 2.210 17.021 ( 0.954 0.000 -0.774) 1.229 17.810 ( 5.066 0.000 1.994) 5.444 17.851 ( 0.202 0.000 1.953) 1.964 17.946 ( -0.917 0.000 0.347) 0.981 17.954 ( 1.204 0.000 1.005) 1.568 24.775 ( 0.988 0.000 0.089) 0.993 24.910 ( -2.183 0.000 0.950) 2.380 25.249 ( -2.903 0.000 -1.212) 3.146 25.333 ( 0.981 0.000 -3.445) 3.582 28.271 ( 1.485 0.000 -0.125) 1.490 28.280 ( -0.533 0.000 1.316) 1.420 28.400 ( 2.577 0.000 -1.204) 2.844 28.416 ( -1.487 0.000 -0.328) 1.523 28.782 ( 0.372 0.000 5.476) 5.489 29.003 ( 1.798 0.000 -2.059) 2.733 30.661 ( -1.952 0.000 1.568) 2.504 31.002 ( -5.902 0.000 -9.009) 10.770 33.495 ( -0.734 0.000 12.467) 12.489 34.061 ( 12.405 0.000 -12.002) 17.261 34.504 ( 9.801 0.000 -7.415) 12.290 34.730 ( 40.871 0.000 21.583) 46.219 35.702 ( -1.009 0.000 -0.160) 1.021 35.947 ( -7.273 0.000 1.478) 7.422 36.022 ( 0.445 0.000 -0.973) 1.070 36.405 ( -8.967 0.000 5.611) 10.578 39.324 ( -5.624 0.000 4.309) 7.085 39.908 ( -15.538 0.000 -20.570) 25.779 40.805 ( -11.637 0.000 1.413) 11.722 40.868 ( -0.050 0.000 -3.458) 3.458 76.621 ( -5.405 0.000 3.971) 6.707 76.631 ( 5.997 0.000 -5.155) 7.908 79.165 ( -8.283 0.000 14.443) 16.650 80.316 ( -13.703 0.000 -33.029) 35.759 ======================= Grid point 165 (80/136) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.160 10.733 20.801) 23.435 1.087 ( -5.420 6.669 23.475) 24.998 1.766 ( 4.635 3.235 -16.061) 17.027 1.877 ( 4.237 14.204 29.708) 33.201 1.991 ( 0.437 1.347 -14.937) 15.004 2.217 ( 4.741 -4.627 3.652) 7.564 2.369 ( -5.679 -3.812 -3.240) 7.568 2.780 ( -1.728 -3.106 0.876) 3.660 2.837 ( -1.016 1.048 -3.374) 3.676 2.911 ( 1.703 -1.894 0.372) 2.574 3.011 ( -5.457 -0.968 -2.118) 5.933 3.083 ( 2.643 2.606 -14.342) 14.814 3.177 ( -3.843 -1.586 -0.824) 4.238 3.247 ( 7.291 -3.295 -2.711) 8.448 3.529 ( -0.997 4.736 -2.643) 5.515 3.589 ( -0.817 3.715 -3.142) 4.933 4.118 ( 2.867 -1.337 3.986) 5.089 4.160 ( -1.437 4.944 2.906) 5.912 4.267 ( 2.048 1.045 2.920) 3.716 4.451 ( -5.880 -2.280 -4.040) 7.490 4.555 ( -8.050 -0.685 5.674) 9.873 4.747 ( 5.093 -4.711 -1.710) 7.146 4.830 ( -0.832 -0.645 1.271) 1.650 4.990 ( 4.436 4.830 -5.869) 8.800 5.097 ( 0.382 3.690 6.927) 7.858 5.318 ( 0.620 3.813 -3.149) 4.984 5.538 ( 1.026 -3.813 5.264) 6.580 5.649 ( 0.322 -0.579 -1.974) 2.082 5.682 ( 1.034 3.338 0.364) 3.514 5.823 ( -4.154 -2.131 -4.289) 6.340 6.270 ( -0.336 -6.540 5.249) 8.393 6.445 ( 11.198 -3.630 -2.600) 12.055 6.725 ( -8.178 -0.979 4.344) 9.312 6.898 ( 4.444 -2.813 -3.931) 6.567 7.910 ( 2.640 -2.179 2.992) 4.547 8.089 ( -3.590 -6.049 -4.375) 8.284 12.254 ( -0.263 0.483 0.297) 0.625 12.261 ( -0.332 0.465 -0.088) 0.578 12.356 ( -1.384 -1.881 2.402) 3.350 12.418 ( 0.489 -0.816 -0.693) 1.177 12.528 ( 0.419 2.298 0.879) 2.496 12.574 ( -0.222 0.205 -1.361) 1.394 13.507 ( -2.023 0.451 1.423) 2.514 13.595 ( 0.523 3.272 -4.007) 5.200 15.849 ( -2.884 1.723 3.489) 4.844 15.985 ( 2.241 1.262 -2.728) 3.749 16.586 ( -0.625 0.833 0.644) 1.225 16.627 ( 0.227 0.967 -1.280) 1.620 16.798 ( -1.859 0.260 -0.051) 1.877 16.853 ( 1.354 1.794 -2.757) 3.557 16.984 ( -0.246 1.019 1.653) 1.957 17.044 ( 0.698 0.751 -1.129) 1.525 17.842 ( 0.281 -0.706 2.389) 2.507 17.902 ( 0.748 -0.149 -0.987) 1.248 17.943 ( 0.845 -0.321 0.504) 1.035 17.965 ( -0.867 0.376 -0.312) 0.995 24.869 ( -2.658 1.159 0.065) 2.901 24.910 ( 4.053 7.015 -3.486) 8.819 25.204 ( -3.996 1.953 1.570) 4.717 25.349 ( 1.666 2.205 -4.454) 5.242 28.272 ( -0.837 -0.129 0.797) 1.163 28.291 ( 0.863 -0.410 0.010) 0.956 28.399 ( -0.580 0.871 -0.136) 1.055 28.440 ( 1.947 0.706 -1.993) 2.874 28.825 ( 0.544 -1.145 5.325) 5.474 28.984 ( -0.228 -1.716 -2.656) 3.170 30.675 ( 0.041 0.948 3.036) 3.180 30.819 ( -6.095 0.529 -4.027) 7.324 33.550 ( -3.294 -0.532 14.048) 14.439 34.114 ( -4.836 -10.008 -2.667) 11.430 34.219 ( 1.120 -11.630 10.558) 15.748 34.825 ( -9.708 0.425 -15.201) 18.042 35.864 ( 0.586 -3.135 3.074) 4.429 35.975 ( 5.294 -3.866 -1.618) 6.752 36.250 ( -4.395 4.814 4.460) 7.898 36.437 ( 17.586 7.231 -5.480) 19.789 39.327 ( 0.668 1.850 3.930) 4.394 39.495 ( -6.777 -0.914 -3.679) 7.765 40.709 ( -3.136 1.108 3.738) 5.003 40.858 ( 2.029 -0.423 -3.238) 3.844 76.574 ( -3.613 2.213 3.349) 5.401 76.749 ( 4.391 2.408 -4.547) 6.764 79.601 ( 4.472 35.641 -2.974) 36.044 80.020 ( -13.105 15.054 -16.146) 25.672 ======================= Grid point 166 (81/136) ======================= q-point: ( 0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.623 10.532 19.758) 22.398 1.332 ( 9.564 -2.751 22.747) 24.828 1.742 ( 4.321 1.345 -20.445) 20.940 1.867 ( 5.119 4.917 -18.336) 19.662 2.253 ( 6.826 8.379 18.141) 21.116 2.259 ( -1.334 -0.965 2.440) 2.943 2.359 ( 6.598 -3.981 6.880) 10.330 2.674 ( -1.511 1.356 -9.281) 9.501 2.776 ( -3.548 2.868 -0.881) 4.646 2.886 ( -5.409 -2.309 -0.302) 5.889 2.968 ( -0.252 -6.382 3.369) 7.221 3.092 ( 0.412 3.211 -3.811) 5.000 3.116 ( 5.504 2.747 -8.091) 10.164 3.360 ( 5.764 -6.152 -3.769) 9.234 3.507 ( 1.299 4.278 0.461) 4.495 3.627 ( 5.450 2.212 -0.930) 5.954 4.122 ( -2.866 1.338 1.217) 3.389 4.175 ( 0.279 4.090 3.640) 5.483 4.265 ( -10.419 0.444 -3.710) 11.068 4.368 ( 3.947 -3.102 4.306) 6.614 4.511 ( -0.084 -1.284 5.329) 5.483 4.752 ( -3.937 -5.257 -1.003) 6.644 4.867 ( 3.990 -3.911 2.018) 5.940 5.075 ( 5.640 7.927 -7.400) 12.222 5.139 ( -0.281 2.482 2.829) 3.774 5.272 ( -1.926 5.087 0.860) 5.507 5.569 ( 1.169 -1.865 0.818) 2.348 5.641 ( -1.032 1.179 -1.077) 1.901 5.708 ( -3.210 -0.941 -3.986) 5.204 5.752 ( 2.869 -0.734 3.372) 4.488 6.180 ( -8.934 -1.629 -0.081) 9.081 6.505 ( -4.654 -6.882 -5.517) 9.974 6.673 ( 1.545 -3.033 1.728) 3.818 6.938 ( 2.125 -4.089 -1.825) 4.957 7.869 ( -7.999 -5.022 -0.527) 9.459 8.035 ( -0.559 -1.280 0.708) 1.566 12.237 ( -1.994 0.528 0.684) 2.173 12.245 ( -1.220 0.891 0.075) 1.512 12.352 ( -0.949 -1.054 2.171) 2.593 12.427 ( 0.896 -1.008 -0.320) 1.386 12.536 ( -0.217 1.898 1.079) 2.194 12.556 ( -0.528 0.631 -1.566) 1.769 13.474 ( -2.438 1.408 1.450) 3.167 13.600 ( 2.107 2.043 -1.533) 3.311 15.822 ( -2.642 2.813 3.048) 4.917 16.003 ( 1.881 0.268 -2.154) 2.872 16.590 ( 0.547 0.584 0.693) 1.058 16.632 ( 1.054 0.979 -0.873) 1.682 16.783 ( -0.214 -1.193 1.011) 1.578 16.868 ( 2.282 2.240 -2.232) 3.899 16.991 ( -0.092 1.122 1.285) 1.708 17.046 ( 0.403 0.085 -1.254) 1.320 17.831 ( -1.856 0.899 0.532) 2.130 17.897 ( -2.270 -0.979 0.242) 2.484 17.936 ( 0.353 -1.098 -0.123) 1.160 17.980 ( 1.725 0.521 -0.151) 1.808 24.809 ( -3.178 1.439 -0.290) 3.500 24.963 ( 3.907 6.606 -2.328) 8.020 25.173 ( -1.950 -0.888 3.934) 4.479 25.349 ( 1.652 2.819 -3.810) 5.019 28.259 ( -0.910 0.033 0.346) 0.974 28.301 ( -0.074 -0.528 0.327) 0.625 28.393 ( 0.247 1.275 -0.588) 1.426 28.454 ( 1.311 0.916 -1.999) 2.560 28.858 ( -1.212 -1.521 4.582) 4.978 28.949 ( -1.067 -1.502 -3.010) 3.529 30.690 ( -1.528 0.323 2.712) 3.130 30.769 ( 2.217 2.505 1.754) 3.777 33.540 ( -10.060 0.825 14.180) 17.405 33.946 ( -14.571 -7.603 9.115) 18.794 34.120 ( -9.447 2.497 -3.953) 10.541 34.714 ( -0.956 -9.477 -2.851) 9.942 35.827 ( -5.402 -3.083 -1.469) 6.391 36.024 ( 0.796 -4.085 -3.160) 5.225 36.100 ( -1.389 10.174 0.166) 10.269 36.696 ( 9.301 2.477 -5.395) 11.034 39.409 ( 4.203 -0.113 6.307) 7.580 39.546 ( 12.916 -0.525 -6.680) 14.551 40.714 ( -0.023 0.148 3.835) 3.838 40.899 ( 4.749 -0.702 -2.242) 5.298 76.528 ( -3.584 3.193 2.268) 5.309 76.799 ( 4.179 0.630 -3.202) 5.302 79.565 ( -5.998 25.506 6.846) 27.081 79.914 ( 7.213 14.379 -11.110) 19.551 ======================= Grid point 167 (82/136) ======================= q-point: ( 0.18 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 5.824 5.316 16.405) 18.202 1.626 ( 0.401 0.193 -19.653) 19.658 1.645 ( 8.370 -2.767 9.338) 12.841 1.866 ( 8.368 5.927 -12.741) 16.355 2.180 ( 0.731 -3.031 -4.856) 5.771 2.475 ( 7.089 -2.834 2.451) 8.018 2.606 ( 8.275 6.032 11.937) 15.728 2.690 ( 6.959 4.337 -4.103) 9.169 2.713 ( -3.129 -1.785 1.798) 4.026 2.815 ( -1.437 -1.974 1.763) 3.012 2.953 ( -2.653 -3.144 4.744) 6.279 3.131 ( 4.794 1.116 0.935) 5.011 3.144 ( 3.231 3.858 -7.884) 9.353 3.413 ( 2.672 -5.004 -1.492) 5.865 3.551 ( 1.477 2.105 0.451) 2.611 3.729 ( 4.381 4.247 -1.163) 6.211 3.996 ( -7.435 1.490 -2.417) 7.959 4.138 ( -3.753 4.052 3.661) 6.626 4.215 ( 2.384 -0.188 2.182) 3.237 4.468 ( 3.887 -4.571 4.107) 7.271 4.595 ( 0.402 -3.747 1.806) 4.179 4.691 ( 1.477 -3.486 2.818) 4.720 4.910 ( -4.340 -3.526 1.295) 5.740 4.965 ( -5.380 2.610 -6.071) 8.521 5.162 ( 1.162 -3.282 -0.808) 3.574 5.313 ( 0.650 8.106 6.198) 10.225 5.549 ( -4.554 0.724 -2.974) 5.487 5.602 ( 1.725 0.479 -1.370) 2.254 5.698 ( 1.170 0.845 -0.135) 1.450 5.809 ( 1.303 0.059 1.811) 2.232 6.004 ( -7.728 -0.147 -4.172) 8.783 6.328 ( -7.448 -4.432 -8.815) 12.362 6.702 ( 0.153 -3.952 0.987) 4.077 6.942 ( -0.710 -3.739 -0.864) 3.902 7.701 ( -8.377 -1.764 -2.530) 8.926 8.013 ( -4.101 -2.230 3.100) 5.604 12.203 ( -2.128 1.344 0.492) 2.565 12.221 ( -1.514 0.619 0.089) 1.638 12.353 ( -0.764 -0.885 2.217) 2.507 12.442 ( 0.751 -0.774 0.032) 1.079 12.531 ( -0.554 0.722 -1.445) 1.707 12.540 ( -0.535 0.823 0.906) 1.335 13.448 ( -1.712 1.826 1.784) 3.073 13.638 ( 2.555 0.379 -0.278) 2.597 15.804 ( -1.457 3.458 2.555) 4.540 16.024 ( 2.094 -0.407 -1.834) 2.813 16.611 ( 1.107 0.239 0.789) 1.380 16.645 ( 0.858 0.379 -0.395) 1.017 16.797 ( 0.579 -1.831 1.241) 2.287 16.894 ( 1.880 2.614 -1.751) 3.665 16.998 ( -0.083 0.498 0.800) 0.946 17.037 ( -0.269 0.289 -1.379) 1.435 17.800 ( -1.313 0.891 -0.785) 1.770 17.851 ( -2.916 0.668 0.993) 3.152 17.937 ( -0.500 -1.154 -0.370) 1.311 18.008 ( 1.690 0.027 -0.741) 1.846 24.760 ( -2.195 1.186 0.150) 2.500 25.011 ( 2.909 4.620 -1.624) 5.696 25.178 ( -0.958 -2.655 3.867) 4.788 25.352 ( 1.266 3.378 -2.750) 4.536 28.248 ( -0.260 0.202 -0.085) 0.340 28.294 ( -0.797 -0.233 0.364) 0.907 28.397 ( 0.733 1.325 -1.052) 1.843 28.462 ( 0.922 1.033 -1.109) 1.774 28.847 ( -3.069 -1.268 3.468) 4.801 28.910 ( -0.975 -0.889 -2.532) 2.855 30.701 ( 0.870 1.521 2.487) 3.042 30.857 ( 3.732 1.521 4.604) 6.119 33.404 ( -14.888 2.419 13.462) 20.217 33.789 ( -12.967 -3.655 14.786) 20.003 33.934 ( -5.051 1.739 -10.881) 12.122 34.531 ( -16.098 -10.453 -7.331) 20.547 35.746 ( 0.242 0.289 -2.184) 2.216 36.020 ( 2.942 -3.117 -1.728) 4.622 36.199 ( 8.405 6.178 -0.371) 10.438 36.751 ( 1.931 4.631 -2.589) 5.646 39.549 ( 4.835 -2.511 8.153) 9.806 39.743 ( 14.586 -1.660 -10.450) 18.020 40.750 ( 0.627 -0.627 4.306) 4.396 40.982 ( 5.160 -1.215 -0.692) 5.346 76.485 ( -2.578 3.505 1.464) 4.591 76.844 ( 2.725 -0.773 -2.165) 3.565 79.569 ( -2.075 12.300 12.480) 17.645 79.962 ( 4.977 13.838 -8.658) 17.065 ======================= Grid point 168 (83/136) ======================= q-point: ( 0.27 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.576 2.782 -14.273) 14.627 1.530 ( 8.205 0.925 9.482) 12.574 1.747 ( 6.891 1.876 -6.854) 9.898 2.039 ( 8.640 2.136 5.012) 10.214 2.187 ( 3.232 0.922 -6.166) 7.022 2.598 ( 2.912 -3.686 1.002) 4.803 2.684 ( 3.348 -1.294 0.922) 3.706 2.718 ( 1.706 -2.907 1.529) 3.701 2.817 ( 4.648 5.876 0.562) 7.513 2.873 ( 2.432 -1.826 4.147) 5.142 2.993 ( 2.663 -0.679 6.308) 6.880 3.125 ( 1.473 3.055 -6.414) 7.256 3.269 ( 7.353 -3.158 2.432) 8.364 3.429 ( -2.156 -1.003 -0.292) 2.396 3.496 ( -3.683 0.948 -2.012) 4.302 3.728 ( 0.382 8.463 -1.106) 8.543 4.025 ( 6.807 -2.242 2.505) 7.592 4.114 ( -1.855 1.426 4.419) 5.000 4.275 ( 2.286 -0.387 0.407) 2.354 4.484 ( -8.273 -5.937 -2.503) 10.486 4.571 ( 3.851 -5.106 2.231) 6.774 4.683 ( -10.817 2.508 -6.752) 12.995 4.813 ( 0.430 0.817 7.197) 7.256 4.976 ( 4.768 -5.836 2.752) 8.022 5.150 ( -2.622 -5.074 1.450) 5.893 5.334 ( -2.106 6.852 2.505) 7.594 5.461 ( -2.766 2.115 -2.536) 4.308 5.593 ( -2.920 0.549 0.978) 3.128 5.716 ( 0.424 -0.123 0.717) 0.843 5.819 ( -0.408 1.585 -1.450) 2.187 5.882 ( -2.804 -1.717 -2.217) 3.965 6.151 ( -2.695 -3.776 -12.530) 13.362 6.710 ( 0.249 -1.280 1.187) 1.763 6.904 ( -2.982 -2.266 -0.075) 3.746 7.555 ( -5.571 0.666 -2.199) 6.026 7.932 ( -6.958 -2.239 2.428) 7.702 12.172 ( -1.460 1.265 0.032) 1.932 12.195 ( -1.394 0.560 -0.037) 1.502 12.358 ( -0.516 -0.858 2.609) 2.794 12.453 ( 0.333 -0.242 0.294) 0.506 12.510 ( -0.279 0.600 -1.879) 1.992 12.536 ( -0.848 -0.160 1.059) 1.367 13.439 ( -1.030 1.791 2.459) 3.212 13.679 ( 2.122 -0.784 -0.393) 2.296 15.808 ( -0.120 3.514 2.367) 4.238 16.048 ( 1.928 -0.644 -1.897) 2.781 16.636 ( 0.837 0.315 0.917) 1.280 16.657 ( 0.705 -0.368 -0.125) 0.805 16.814 ( 0.274 -1.797 0.848) 2.006 16.903 ( 0.491 2.311 -1.957) 3.068 16.993 ( -0.692 -0.575 -0.203) 0.922 17.027 ( 0.126 1.538 -0.373) 1.588 17.777 ( -0.364 0.653 -1.307) 1.506 17.810 ( -2.599 1.545 1.081) 3.211 17.918 ( -0.893 -0.598 -0.729) 1.299 18.027 ( 1.167 -0.305 -1.342) 1.804 24.734 ( -1.222 1.011 1.078) 1.918 25.039 ( 1.666 2.018 -2.587) 3.680 25.191 ( -0.600 -2.763 3.809) 4.744 25.353 ( 0.755 3.435 -1.944) 4.018 28.249 ( 0.543 0.370 -0.438) 0.790 28.281 ( -0.852 0.144 0.208) 0.889 28.403 ( 0.828 1.217 -1.060) 1.814 28.470 ( 0.522 0.849 -0.315) 1.045 28.807 ( -3.705 -0.640 2.879) 4.735 28.879 ( -0.597 -0.434 -2.242) 2.360 30.748 ( 1.920 1.776 3.000) 3.980 30.947 ( 2.296 0.858 4.523) 5.144 33.244 ( -12.627 2.378 11.810) 17.452 33.666 ( -13.001 -2.679 14.602) 19.734 33.790 ( -2.044 0.317 -11.137) 11.327 34.131 ( -16.390 -5.735 -14.899) 22.880 35.782 ( 3.150 0.688 0.915) 3.351 36.089 ( 5.113 -3.880 -1.121) 6.515 36.358 ( 9.151 4.579 -0.626) 10.252 36.758 ( 0.588 5.547 -1.268) 5.721 39.678 ( 2.591 -3.815 8.295) 9.490 39.901 ( 11.762 -2.380 -11.231) 16.437 40.794 ( 0.501 -0.789 4.920) 5.008 41.056 ( 2.992 -1.743 0.128) 3.465 76.463 ( -0.779 3.322 1.144) 3.599 76.855 ( -0.009 -1.468 -1.898) 2.399 79.633 ( -1.921 6.358 13.291) 14.858 79.962 ( 1.637 9.964 -6.672) 12.103 ======================= Grid point 169 (84/136) ======================= q-point: ( 0.36 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.766 3.861 -1.575) 11.545 1.738 ( 9.119 1.560 4.995) 10.514 1.843 ( 8.152 -0.564 -4.698) 9.426 2.152 ( 1.224 0.242 1.653) 2.071 2.204 ( 3.233 6.348 -4.196) 8.268 2.609 ( -1.222 -1.934 0.534) 2.349 2.770 ( 0.782 -4.040 1.523) 4.388 2.780 ( -0.205 -1.035 1.726) 2.023 2.818 ( -1.114 4.327 6.993) 8.298 2.943 ( 3.441 -4.456 1.832) 5.920 3.103 ( 4.561 -0.430 -2.213) 5.088 3.128 ( 3.481 2.052 -0.466) 4.068 3.255 ( -3.372 -0.239 -2.198) 4.032 3.444 ( 3.092 -2.304 0.003) 3.856 3.523 ( 2.368 -0.018 0.020) 2.368 3.730 ( 0.548 6.183 -0.497) 6.227 4.107 ( 0.929 0.251 1.293) 1.612 4.169 ( 0.668 -2.227 2.530) 3.436 4.262 ( -5.930 -5.564 -5.898) 10.045 4.338 ( 1.722 -0.557 1.652) 2.451 4.449 ( -7.443 2.634 -5.607) 9.684 4.683 ( 3.524 -7.162 2.532) 8.374 4.814 ( -2.224 0.140 3.924) 4.512 5.082 ( 0.469 -3.283 0.884) 3.432 5.106 ( -3.202 -2.426 6.701) 7.813 5.277 ( -4.039 5.304 -2.203) 7.022 5.433 ( 2.031 -1.767 -2.213) 3.485 5.526 ( -5.674 -0.509 4.181) 7.066 5.706 ( -1.938 -1.672 0.120) 2.562 5.807 ( 1.313 1.586 -2.424) 3.180 5.855 ( 0.259 0.111 -0.331) 0.435 6.062 ( 1.680 -2.770 -10.451) 10.941 6.732 ( 1.584 -0.121 0.255) 1.609 6.842 ( -3.825 -0.267 0.631) 3.885 7.482 ( -1.138 1.856 -0.784) 2.314 7.810 ( -7.638 -1.482 0.787) 7.820 12.153 ( -0.493 0.932 -0.378) 1.120 12.171 ( -1.079 0.346 -0.201) 1.151 12.371 ( -0.459 -0.788 3.142) 3.271 12.458 ( -0.031 0.259 0.289) 0.389 12.497 ( 0.271 0.377 -1.594) 1.661 12.524 ( -1.081 -0.657 0.501) 1.360 13.447 ( -0.398 1.531 3.383) 3.735 13.701 ( 0.941 -1.248 -1.525) 2.184 15.832 ( 0.699 3.192 2.597) 4.174 16.060 ( 1.028 -0.571 -2.415) 2.686 16.652 ( 0.227 0.348 0.891) 0.983 16.668 ( 0.571 -0.736 -0.132) 0.941 16.817 ( -0.178 -1.392 0.129) 1.410 16.884 ( -0.546 1.305 -2.429) 2.811 16.985 ( -0.079 0.171 0.341) 0.390 17.030 ( 0.148 1.468 -0.080) 1.478 17.765 ( -0.598 0.686 -0.457) 1.018 17.775 ( -1.272 1.292 -0.024) 1.813 17.904 ( -0.136 -0.020 -0.246) 0.282 18.029 ( 0.376 -0.350 -2.019) 2.083 24.733 ( -0.252 0.863 2.305) 2.474 25.030 ( 0.030 -0.158 -3.925) 3.928 25.213 ( 0.001 -1.827 3.637) 4.070 25.351 ( 0.487 2.962 -1.632) 3.417 28.260 ( 1.081 0.486 -0.732) 1.393 28.268 ( -0.695 0.496 0.150) 0.868 28.413 ( 1.021 0.918 -0.696) 1.540 28.472 ( -0.307 0.523 0.044) 0.608 28.763 ( -3.288 0.232 2.802) 4.326 28.857 ( -0.032 -0.267 -2.294) 2.310 30.806 ( 1.728 1.546 3.743) 4.403 30.996 ( 0.096 0.397 2.885) 2.914 33.127 ( -9.248 1.771 10.029) 13.757 33.535 ( -12.642 -2.585 13.085) 18.377 33.692 ( -0.847 -0.340 -11.521) 11.557 33.812 ( -5.251 -2.301 -14.459) 15.554 35.853 ( 3.042 1.241 2.865) 4.359 36.160 ( 3.554 -2.674 -2.027) 4.888 36.504 ( 7.357 2.847 -0.466) 7.902 36.754 ( -0.390 5.141 -0.815) 5.219 39.757 ( -0.215 -4.027 7.480) 8.498 40.006 ( 9.128 -3.328 -10.982) 14.663 40.839 ( 0.380 -0.816 5.434) 5.508 41.086 ( 0.489 -1.843 -0.316) 1.933 76.475 ( 1.094 2.802 1.507) 3.364 76.816 ( -2.605 -1.358 -2.297) 3.729 79.675 ( -4.346 5.048 13.147) 14.738 79.945 ( 2.694 5.452 -7.279) 9.485 ======================= Grid point 170 (85/136) ======================= q-point: ( 0.45 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 6.993 1.200 5.899) 9.227 1.934 ( 9.197 -3.636 -2.134) 10.118 1.972 ( 9.660 7.129 3.613) 12.538 2.174 ( 2.766 -0.218 1.087) 2.980 2.227 ( 2.868 6.173 -3.859) 7.824 2.533 ( -9.249 0.102 0.105) 9.250 2.655 ( -4.344 -4.305 -0.694) 6.155 2.785 ( -4.358 0.652 5.007) 6.670 2.941 ( 3.667 0.572 8.263) 9.058 3.004 ( 1.013 -3.457 2.159) 4.200 3.089 ( -3.309 -3.371 -4.673) 6.645 3.184 ( 0.814 1.235 -0.581) 1.589 3.276 ( 4.589 2.116 2.409) 5.598 3.417 ( -2.492 -1.910 -4.909) 5.827 3.543 ( 2.254 -1.705 -2.070) 3.503 3.741 ( -0.650 3.656 -0.024) 3.714 4.002 ( -7.825 -0.424 -3.886) 8.747 4.148 ( -0.698 5.564 -4.914) 7.456 4.231 ( 5.395 -1.829 -1.010) 5.786 4.305 ( -5.133 1.113 -2.793) 5.949 4.484 ( 7.800 -7.817 4.535) 11.938 4.715 ( -1.353 -12.463 0.462) 12.545 4.835 ( 1.290 0.093 4.504) 4.687 5.026 ( -7.615 1.079 7.850) 10.990 5.092 ( -4.620 0.497 0.805) 4.716 5.216 ( 3.961 1.404 -7.233) 8.365 5.411 ( -6.514 -0.496 5.727) 8.688 5.537 ( 5.657 -3.192 -2.254) 6.876 5.673 ( -2.034 -0.525 1.366) 2.506 5.807 ( 0.839 3.787 -3.317) 5.104 5.878 ( 1.549 -0.226 0.722) 1.724 6.047 ( 3.609 -3.686 -7.706) 9.274 6.751 ( -1.377 -0.331 1.563) 2.109 6.798 ( 0.257 1.177 -0.918) 1.515 7.504 ( 3.390 1.749 0.998) 3.943 7.683 ( -6.148 -0.390 -1.082) 6.255 12.149 ( 0.423 0.696 -0.642) 1.037 12.155 ( -0.545 0.083 -0.328) 0.642 12.385 ( -0.691 -0.713 3.505) 3.642 12.457 ( -0.181 0.751 0.159) 0.788 12.495 ( -0.267 -0.629 -0.233) 0.722 12.509 ( 0.116 -0.180 -0.985) 1.008 13.473 ( 0.097 1.107 4.404) 4.542 13.690 ( -0.333 -0.976 -2.907) 3.084 15.867 ( 0.786 2.630 3.094) 4.136 16.048 ( -0.145 -0.264 -3.137) 3.151 16.657 ( -0.363 0.207 0.764) 0.871 16.675 ( 0.354 -0.585 -0.266) 0.734 16.814 ( -0.275 -1.065 0.020) 1.100 16.860 ( 0.010 0.646 -2.330) 2.418 16.993 ( 0.370 0.787 0.831) 1.203 17.029 ( -0.171 1.181 -0.306) 1.232 17.742 ( -1.645 1.097 0.856) 2.154 17.771 ( 0.769 0.381 -1.286) 1.546 17.910 ( 0.669 0.377 0.599) 0.974 18.011 ( -0.377 -0.210 -2.637) 2.672 24.757 ( 0.595 0.575 3.517) 3.613 24.988 ( -1.103 -0.780 -4.655) 4.847 25.241 ( 0.351 -1.189 3.065) 3.306 25.348 ( 0.481 2.385 -1.721) 2.981 28.258 ( -0.605 0.790 0.245) 1.025 28.275 ( 1.188 0.528 -1.081) 1.691 28.430 ( 1.245 0.471 -0.174) 1.342 28.458 ( -1.311 0.338 0.007) 1.354 28.736 ( -2.027 0.876 2.900) 3.645 28.845 ( 0.579 -0.170 -2.353) 2.429 30.863 ( 1.251 1.053 4.636) 4.916 30.994 ( -1.700 0.331 1.003) 2.002 33.057 ( -6.365 1.452 9.110) 11.208 33.411 ( -10.279 -2.942 10.574) 15.038 33.581 ( 0.650 0.588 -13.215) 13.244 33.756 ( 5.916 -1.468 -9.148) 10.992 35.926 ( 2.101 1.741 4.373) 5.155 36.177 ( 0.591 -1.263 -3.742) 3.994 36.609 ( 4.423 2.498 0.305) 5.089 36.725 ( -2.325 3.532 -0.921) 4.328 39.779 ( -2.974 -3.440 6.536) 7.963 40.074 ( 7.165 -4.498 -10.420) 13.422 40.887 ( 0.384 -1.103 5.894) 6.008 41.075 ( -0.931 -1.536 -1.303) 2.219 76.521 ( 2.196 2.044 2.565) 3.947 76.738 ( -3.576 -0.654 -3.078) 4.764 79.665 ( -6.582 5.679 11.519) 14.431 79.974 ( 6.888 2.165 -7.487) 10.402 ======================= Grid point 171 (86/136) ======================= q-point: (-0.45 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -8.378 -4.484 2.546) 9.838 2.033 ( 4.455 -0.300 -6.571) 7.944 2.122 ( 3.536 8.945 1.345) 9.712 2.260 ( 3.745 2.497 -3.039) 5.431 2.288 ( -15.070 1.169 -2.901) 15.391 2.382 ( 12.255 -3.893 6.415) 14.370 2.667 ( 3.138 -1.515 7.950) 8.680 2.703 ( -5.252 1.124 0.290) 5.378 2.926 ( -9.225 -6.642 -1.678) 11.490 2.950 ( -7.818 -1.816 4.130) 9.026 3.061 ( 1.850 0.378 3.966) 4.392 3.170 ( -1.411 2.269 -0.268) 2.685 3.342 ( 0.114 -0.756 -2.259) 2.385 3.369 ( -1.003 -0.612 -2.192) 2.487 3.592 ( 1.540 -0.234 2.185) 2.683 3.678 ( -0.307 2.368 -4.070) 4.719 3.935 ( 1.048 3.169 2.625) 4.246 4.083 ( -1.687 7.972 -6.796) 10.610 4.219 ( -1.946 1.171 -0.951) 2.462 4.358 ( 8.387 -2.632 -2.436) 9.121 4.612 ( -0.177 -10.765 1.993) 10.949 4.688 ( 2.338 -12.319 -1.074) 12.584 4.874 ( -4.551 -2.394 4.959) 7.144 4.909 ( -6.926 0.114 7.325) 10.081 5.073 ( 4.285 2.091 -2.775) 5.517 5.274 ( 2.860 -0.044 -0.264) 2.872 5.354 ( -1.549 3.040 2.881) 4.465 5.615 ( 2.723 0.147 -0.257) 2.739 5.652 ( -0.085 -0.942 -0.021) 0.946 5.802 ( 0.930 3.271 -2.350) 4.133 5.907 ( 1.390 -1.112 0.297) 1.805 6.056 ( 3.303 -5.530 -8.922) 11.004 6.728 ( -1.240 1.958 1.484) 2.752 6.824 ( 2.378 -0.773 -1.059) 2.715 7.583 ( -2.565 0.588 -2.227) 3.448 7.611 ( 6.267 0.781 1.917) 6.600 12.149 ( 0.219 -0.046 -0.406) 0.463 12.158 ( 1.084 0.665 -0.712) 1.457 12.397 ( -0.868 -0.862 3.564) 3.768 12.454 ( -0.411 1.192 0.391) 1.320 12.476 ( -1.010 -0.971 -0.543) 1.503 12.523 ( 1.686 -0.163 -0.984) 1.958 13.512 ( 0.264 0.515 5.213) 5.245 13.653 ( -0.916 -0.091 -3.734) 3.846 15.901 ( 0.159 1.951 3.584) 4.084 16.013 ( -0.838 0.200 -3.640) 3.740 16.652 ( -0.651 -0.057 0.708) 0.963 16.679 ( 0.292 -0.156 -0.190) 0.381 16.803 ( -0.955 -1.109 0.100) 1.467 16.858 ( 1.459 0.565 -1.981) 2.524 17.007 ( 0.385 1.222 0.804) 1.513 17.020 ( -0.307 1.077 -0.501) 1.227 17.723 ( -1.077 0.939 0.811) 1.643 17.780 ( 1.061 0.368 -0.944) 1.467 17.932 ( 0.927 0.458 1.180) 1.568 17.980 ( -0.817 0.022 -2.915) 3.027 24.801 ( 0.934 0.049 4.309) 4.409 24.931 ( -1.232 -0.165 -4.746) 4.906 25.267 ( 0.197 -0.650 2.446) 2.539 25.345 ( 0.796 1.948 -2.094) 2.969 28.250 ( -0.481 0.977 0.189) 1.105 28.285 ( 0.767 0.440 -1.167) 1.464 28.429 ( -1.553 0.421 -0.144) 1.616 28.453 ( 1.157 0.128 0.224) 1.185 28.730 ( -1.072 1.040 2.968) 3.323 28.846 ( 1.481 -0.114 -2.279) 2.720 30.917 ( 0.438 0.251 5.079) 5.104 30.957 ( -2.254 0.952 0.211) 2.456 33.029 ( -4.380 1.326 9.759) 10.779 33.334 ( -6.369 -2.636 9.445) 11.693 33.550 ( 6.025 1.837 -11.936) 13.496 33.847 ( 11.031 -2.091 -8.673) 14.187 35.984 ( 0.264 1.598 5.052) 5.306 36.131 ( -1.883 -0.278 -4.903) 5.260 36.638 ( -4.300 2.226 0.132) 4.844 36.679 ( 0.576 2.587 -0.135) 2.654 39.747 ( -5.537 -2.375 5.859) 8.404 40.115 ( 5.718 -5.703 -10.007) 12.859 40.937 ( 0.248 -1.780 6.230) 6.484 41.041 ( -1.302 -1.022 -2.157) 2.719 76.580 ( 1.160 0.734 3.649) 3.899 76.659 ( -1.739 0.741 -3.521) 3.996 79.616 ( -7.070 6.892 9.264) 13.539 80.086 ( 11.475 0.994 -7.167) 13.565 ======================= Grid point 172 (87/136) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -14.965 -6.486 2.504) 16.501 1.806 ( -20.429 0.987 -9.166) 22.413 2.088 ( 0.043 5.620 -6.844) 8.856 2.200 ( 1.577 5.215 -4.676) 7.179 2.297 ( 2.216 0.698 -2.072) 3.113 2.541 ( -0.752 -5.921 7.727) 9.764 2.645 ( 0.900 -2.569 -3.378) 4.338 2.764 ( -9.374 -6.434 4.087) 12.082 2.787 ( -9.249 -6.409 4.850) 12.253 2.862 ( 3.398 1.248 8.403) 9.150 3.096 ( 0.858 7.024 3.379) 7.842 3.164 ( 0.769 1.238 -0.399) 1.511 3.257 ( -7.273 -1.136 -2.648) 7.823 3.343 ( 1.764 5.163 0.899) 5.530 3.510 ( -4.019 0.388 -3.678) 5.461 3.807 ( 5.662 0.894 0.272) 5.738 4.009 ( 2.385 6.512 2.607) 7.409 4.038 ( 3.487 1.353 3.300) 4.988 4.207 ( 0.586 3.960 -1.362) 4.228 4.434 ( -2.983 -8.148 -2.458) 9.018 4.546 ( 2.191 -4.077 -4.831) 6.691 4.722 ( -4.209 -6.928 1.702) 8.283 4.825 ( 2.759 -7.948 3.877) 9.264 4.960 ( 4.241 -2.535 5.031) 7.051 5.113 ( 0.440 2.345 -2.176) 3.230 5.318 ( 2.470 1.827 4.113) 5.134 5.389 ( 0.546 3.588 0.820) 3.721 5.618 ( -0.188 5.134 2.487) 5.708 5.691 ( 3.225 -3.181 -2.552) 5.199 5.798 ( -0.075 0.327 -0.511) 0.611 5.940 ( 2.603 -0.799 -1.154) 2.957 6.019 ( 1.158 -7.559 -12.429) 14.594 6.739 ( 2.016 3.348 -0.550) 3.947 6.857 ( 1.743 -2.155 0.016) 2.771 7.543 ( 1.113 1.464 -3.625) 4.064 7.768 ( 8.348 -1.127 3.037) 8.955 12.157 ( 1.054 -0.005 -0.392) 1.125 12.176 ( 1.478 0.845 -0.627) 1.814 12.404 ( -1.188 -1.442 3.085) 3.607 12.446 ( -0.899 0.588 0.842) 1.365 12.462 ( 0.176 0.253 -0.964) 1.011 12.548 ( 1.636 -0.451 -0.686) 1.831 13.550 ( -0.364 -0.354 4.535) 4.564 13.614 ( -0.171 1.288 -2.975) 3.246 15.920 ( -0.981 1.282 3.703) 4.039 15.972 ( -0.659 0.784 -3.618) 3.761 16.647 ( -0.555 -0.550 0.767) 1.095 16.682 ( 0.191 0.320 -0.144) 0.399 16.788 ( -0.653 -1.010 0.470) 1.291 16.873 ( 1.533 0.802 -1.695) 2.422 17.003 ( -0.698 0.751 -0.377) 1.092 17.025 ( 0.621 2.095 0.213) 2.196 17.714 ( -0.610 0.945 0.808) 1.385 17.796 ( 1.351 0.742 -0.381) 1.588 17.942 ( -0.748 0.055 -2.200) 2.324 17.958 ( 0.514 0.497 0.949) 1.188 24.839 ( -0.191 -0.617 2.001) 2.102 24.889 ( 0.182 1.160 -1.855) 2.196 25.284 ( 0.056 0.325 1.865) 1.894 25.347 ( 1.325 1.563 -2.644) 3.345 28.244 ( -0.263 0.928 0.019) 0.964 28.285 ( 0.139 0.292 -0.822) 0.883 28.404 ( -0.984 0.671 -0.405) 1.258 28.471 ( 0.437 0.049 0.296) 0.530 28.736 ( -0.808 0.873 2.976) 3.205 28.867 ( 2.659 -0.188 -1.923) 3.287 30.883 ( -4.078 0.976 -0.063) 4.194 30.992 ( 1.791 0.204 5.074) 5.385 33.049 ( -2.258 0.813 13.440) 13.652 33.318 ( -3.145 -1.844 9.475) 10.152 33.619 ( 11.011 2.880 -11.516) 16.191 34.014 ( 14.571 -2.321 -9.434) 17.513 35.989 ( -3.222 -0.538 1.160) 3.466 36.063 ( -1.785 1.273 -1.733) 2.795 36.518 ( -7.796 -0.579 -0.859) 7.864 36.685 ( -1.183 5.039 1.388) 5.359 39.669 ( -7.662 -1.120 5.532) 9.517 40.133 ( 4.503 -6.948 -10.240) 13.168 40.977 ( -0.904 -2.255 4.219) 4.868 41.005 ( -0.741 -1.100 -0.879) 1.591 76.573 ( -1.243 -0.037 -1.771) 2.164 76.668 ( 1.510 1.712 2.657) 3.503 79.553 ( -6.911 9.496 8.163) 14.303 80.277 ( 16.097 1.125 -8.822) 18.390 ======================= Grid point 173 (88/136) ======================= q-point: (-0.27 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -20.867 1.160 2.566) 21.056 1.408 ( -16.626 3.199 -4.068) 17.412 2.044 ( 0.557 0.506 -8.106) 8.141 2.144 ( -2.260 1.384 -6.146) 6.693 2.263 ( -11.171 1.899 6.861) 13.247 2.429 ( -9.567 -2.520 -0.434) 9.903 2.611 ( -7.095 -8.597 2.990) 11.540 2.656 ( 1.539 -4.236 0.508) 4.535 2.791 ( -1.622 -2.771 2.601) 4.132 2.901 ( 0.160 2.397 1.850) 3.032 3.116 ( 0.662 3.447 -1.770) 3.931 3.147 ( -0.008 2.913 -1.554) 3.302 3.188 ( -0.796 -0.473 1.930) 2.140 3.407 ( -1.158 1.619 2.473) 3.175 3.481 ( 4.763 7.934 1.682) 9.406 3.766 ( -4.043 4.332 -4.597) 7.500 4.081 ( 0.598 -1.374 2.200) 2.662 4.175 ( -2.207 -2.011 0.009) 2.986 4.247 ( 6.580 1.506 5.678) 8.820 4.308 ( -0.723 -1.907 1.821) 2.735 4.590 ( 2.515 -3.730 -3.721) 5.839 4.682 ( 0.677 -2.850 -0.798) 3.036 4.915 ( 2.761 -10.674 2.632) 11.335 5.089 ( 0.101 -1.171 -0.600) 1.319 5.113 ( 6.502 -0.161 6.749) 9.373 5.330 ( -7.973 4.002 4.327) 9.915 5.381 ( 2.787 3.366 -4.735) 6.443 5.668 ( 2.484 1.727 0.761) 3.120 5.702 ( 0.026 2.620 -0.904) 2.772 5.823 ( 2.830 -2.777 1.458) 4.225 5.900 ( -1.458 -7.361 -12.229) 14.348 6.020 ( 6.539 -0.155 -3.049) 7.217 6.779 ( 3.451 3.401 -2.886) 5.640 6.882 ( 0.387 -2.960 1.128) 3.191 7.574 ( 5.092 1.619 -3.461) 6.366 7.940 ( 8.188 -3.552 2.693) 9.323 12.180 ( 1.685 0.187 -0.263) 1.716 12.201 ( 1.707 1.096 -0.473) 2.083 12.395 ( -1.612 -1.785 1.743) 2.970 12.443 ( -0.276 -0.316 0.958) 1.045 12.464 ( 0.433 1.126 -0.025) 1.207 12.569 ( 1.239 -0.566 -0.689) 1.526 13.548 ( -0.987 0.442 -0.304) 1.124 13.620 ( 0.912 0.980 1.175) 1.781 15.918 ( -1.886 0.852 3.064) 3.697 15.943 ( 0.069 1.397 -2.812) 3.140 16.641 ( -0.776 -1.141 0.517) 1.473 16.681 ( -0.177 0.229 -0.589) 0.656 16.796 ( 0.704 -0.055 1.864) 1.993 16.882 ( 0.814 1.105 -1.770) 2.240 16.987 ( -0.711 0.935 -0.423) 1.249 17.036 ( 0.543 2.532 -0.328) 2.610 17.714 ( -0.113 1.073 1.187) 1.604 17.823 ( 1.723 1.621 0.293) 2.384 17.916 ( -0.286 -0.234 -1.537) 1.581 17.971 ( -0.145 0.513 1.198) 1.311 24.824 ( -0.003 1.500 -2.548) 2.957 24.908 ( 0.275 0.300 2.880) 2.909 25.298 ( 0.322 1.371 1.203) 1.852 25.353 ( 1.753 1.533 -3.477) 4.185 28.242 ( 0.159 0.592 -0.145) 0.629 28.280 ( -0.224 0.202 -0.108) 0.321 28.389 ( -0.350 0.873 -0.548) 1.089 28.471 ( -0.605 0.288 0.061) 0.673 28.743 ( -0.809 0.633 3.188) 3.349 28.911 ( 3.420 -0.506 -1.538) 3.783 30.803 ( -4.554 1.667 -0.018) 4.849 31.059 ( 2.084 -0.962 2.734) 3.570 33.173 ( 2.868 -1.989 21.893) 22.169 33.352 ( -1.108 -1.341 10.332) 10.477 33.771 ( 14.794 4.556 -10.914) 18.941 34.222 ( 16.620 -0.636 -10.252) 19.538 35.903 ( -4.159 -1.442 -3.397) 5.560 36.033 ( -2.605 -0.696 1.273) 2.982 36.356 ( -9.308 -0.658 -1.155) 9.402 36.657 ( -3.356 6.745 2.327) 7.886 39.558 ( -8.883 0.096 5.283) 10.336 40.123 ( 2.829 -8.536 -11.573) 14.656 40.949 ( -1.563 -0.286 -2.109) 2.640 41.007 ( -2.134 -4.064 3.629) 5.851 76.554 ( 1.008 0.579 -2.363) 2.634 76.705 ( -0.127 1.621 3.634) 3.981 79.493 ( -5.843 14.073 7.536) 17.000 80.513 ( 18.477 2.403 -14.389) 23.542 ======================= Grid point 174 (89/136) ======================= q-point: (-0.18 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -11.574 10.607 9.166) 18.179 1.138 ( -14.379 8.704 7.983) 18.608 1.935 ( -16.083 2.224 7.419) 17.851 2.026 ( -11.278 4.528 -0.941) 12.189 2.067 ( -1.978 -2.868 -0.899) 3.598 2.286 ( -3.467 -3.000 -9.102) 10.191 2.595 ( 2.615 -9.660 3.420) 10.576 2.679 ( -6.137 0.735 -1.084) 6.275 2.722 ( 3.077 -6.829 -2.938) 8.046 2.925 ( 1.750 2.841 1.283) 3.575 3.113 ( -0.195 4.463 -6.689) 8.043 3.151 ( 0.587 0.190 -1.915) 2.012 3.213 ( 0.563 -0.540 4.723) 4.787 3.384 ( -1.825 -0.030 0.378) 1.864 3.573 ( 2.863 9.262 -1.955) 9.890 3.684 ( -1.679 7.178 -0.101) 7.373 4.001 ( -5.151 -6.572 -2.556) 8.732 4.152 ( -1.956 2.332 3.470) 4.616 4.248 ( 0.681 1.929 0.217) 2.057 4.543 ( 7.532 -4.837 9.078) 12.750 4.588 ( 1.755 -1.266 -1.342) 2.546 4.711 ( 3.338 1.065 -2.921) 4.562 4.898 ( -6.363 -13.477 0.017) 14.904 5.096 ( 0.603 -1.859 -2.113) 2.879 5.182 ( -8.451 4.497 7.049) 11.889 5.307 ( -0.862 5.374 -2.471) 5.978 5.319 ( 3.772 -8.065 -2.620) 9.281 5.684 ( 0.377 -1.047 -0.005) 1.113 5.757 ( 6.284 5.949 3.918) 9.499 5.799 ( -0.265 1.015 -9.018) 9.079 5.887 ( 2.835 -3.054 -1.244) 4.349 6.164 ( 9.112 0.053 1.855) 9.299 6.814 ( 3.284 1.677 -4.311) 5.673 6.880 ( -2.100 -2.941 2.128) 4.194 7.669 ( 7.584 1.264 -2.127) 7.977 8.083 ( 5.876 -6.441 0.928) 8.768 12.212 ( 1.930 0.425 -0.046) 1.976 12.229 ( 1.690 1.214 -0.353) 2.110 12.379 ( -1.443 -2.085 1.608) 3.003 12.438 ( -0.560 -0.940 -0.338) 1.145 12.481 ( 0.881 1.457 1.186) 2.075 12.581 ( 0.734 -0.500 -0.864) 1.239 13.531 ( -0.445 1.315 -0.727) 1.567 13.639 ( 0.655 0.482 -0.565) 0.991 15.900 ( -2.830 0.929 3.686) 4.739 15.937 ( 1.843 1.764 -3.216) 4.105 16.624 ( -1.267 -1.138 0.136) 1.708 16.666 ( -0.728 -0.010 -1.039) 1.269 16.831 ( 1.133 0.581 1.433) 1.917 16.878 ( 0.236 1.622 -1.849) 2.471 16.974 ( -0.524 1.161 0.134) 1.281 17.040 ( 0.476 2.426 -0.965) 2.654 17.734 ( 1.180 0.811 2.292) 2.702 17.860 ( 1.884 2.824 0.536) 3.437 17.913 ( 0.595 -1.067 0.005) 1.222 17.971 ( -0.690 0.737 0.983) 1.409 24.820 ( 1.884 3.735 -2.838) 5.055 24.924 ( -0.879 0.049 2.712) 2.851 25.307 ( -0.063 2.069 -0.333) 2.097 25.357 ( 1.875 1.938 -4.477) 5.227 28.249 ( 0.744 0.117 -0.152) 0.769 28.279 ( -0.161 0.125 0.715) 0.743 28.385 ( 0.381 0.881 -0.373) 1.030 28.453 ( -1.272 0.664 -0.107) 1.439 28.754 ( -0.696 0.406 3.824) 3.908 28.960 ( 3.051 -0.999 -1.531) 3.556 30.727 ( -3.989 1.931 0.531) 4.464 31.079 ( -0.394 -2.273 -3.454) 4.154 33.400 ( 0.631 -2.104 12.048) 12.247 33.524 ( 11.549 -12.083 29.993) 34.335 33.979 ( 15.873 5.080 -9.474) 19.171 34.486 ( 22.351 6.147 -8.035) 24.534 35.805 ( -4.012 -1.863 -4.904) 6.604 35.965 ( -5.687 -6.251 -0.084) 8.452 36.190 ( -7.384 4.864 -0.363) 8.850 36.600 ( -5.361 7.400 3.303) 9.717 39.436 ( -8.412 1.097 4.709) 9.703 40.046 ( -2.023 -10.710 -14.297) 17.978 40.904 ( -1.811 -0.154 -2.084) 2.765 40.947 ( -6.686 -4.217 0.815) 7.946 76.573 ( 2.170 0.698 -0.995) 2.487 76.715 ( -0.878 2.530 1.787) 3.219 79.464 ( -2.261 20.835 5.694) 21.717 80.663 ( 11.839 5.913 -25.969) 29.146 ======================= Grid point 175 (90/136) ======================= q-point: (-0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -7.705 11.834 16.514) 21.728 1.075 ( -6.144 13.489 19.092) 24.170 1.723 ( -15.757 10.223 29.634) 35.085 1.857 ( -2.179 4.141 -14.075) 14.832 2.061 ( 1.882 -4.435 -4.778) 6.785 2.184 ( -0.177 -3.976 -8.191) 9.106 2.517 ( -8.113 -1.909 -2.821) 8.799 2.703 ( 5.108 -8.115 3.874) 10.342 2.802 ( 5.967 -2.160 -2.025) 6.661 2.945 ( -2.253 2.937 -0.805) 3.789 3.088 ( 3.778 -2.855 -6.844) 8.322 3.119 ( -0.253 3.455 -2.140) 4.072 3.191 ( -3.390 0.003 -4.438) 5.585 3.315 ( -5.286 -0.758 -2.251) 5.795 3.557 ( -0.506 5.276 -3.467) 6.333 3.665 ( -2.881 6.782 -1.447) 7.509 3.996 ( 4.940 -2.627 3.192) 6.441 4.148 ( -0.694 2.912 2.732) 4.053 4.264 ( -0.526 3.270 1.311) 3.562 4.541 ( -1.898 -3.533 -2.746) 4.860 4.664 ( -6.870 -0.709 6.150) 9.248 4.718 ( 0.760 -3.062 -4.070) 5.150 4.816 ( 0.712 -2.927 0.415) 3.041 5.031 ( -2.849 -4.836 -7.236) 9.157 5.067 ( -4.624 3.427 7.245) 9.252 5.292 ( 3.382 5.195 -2.559) 6.706 5.440 ( 3.413 -5.562 7.851) 10.209 5.668 ( -1.429 -2.157 -0.399) 2.618 5.723 ( -1.863 4.490 -4.956) 6.942 5.893 ( -0.461 -2.292 -3.227) 3.985 6.032 ( 17.294 1.430 4.469) 17.919 6.322 ( 4.963 -0.850 4.253) 6.591 6.822 ( -4.368 -2.119 2.900) 5.655 6.854 ( 2.877 -0.917 -4.413) 5.347 7.800 ( 7.318 0.385 0.149) 7.330 8.144 ( 0.977 -8.434 -2.115) 8.750 12.243 ( 1.354 0.544 0.079) 1.462 12.253 ( 1.190 0.917 -0.253) 1.524 12.366 ( -1.516 -2.542 2.188) 3.681 12.423 ( -0.395 -0.921 -0.942) 1.375 12.507 ( 1.019 1.894 1.115) 2.422 12.582 ( 0.245 -0.247 -1.107) 1.161 13.521 ( -0.535 1.062 0.281) 1.222 13.627 ( -0.155 1.503 -3.859) 4.144 15.874 ( -2.942 1.145 3.695) 4.860 15.959 ( 2.893 1.830 -3.064) 4.594 16.601 ( -1.300 -0.306 0.157) 1.344 16.643 ( -0.833 0.472 -1.192) 1.529 16.834 ( -1.072 0.703 -0.634) 1.430 16.862 ( -0.080 2.171 -2.796) 3.541 16.975 ( -0.118 0.870 1.603) 1.828 17.041 ( 0.550 1.666 -1.178) 2.113 17.790 ( 2.608 -0.730 2.710) 3.832 17.892 ( 1.276 2.629 0.113) 2.925 17.927 ( 0.364 -1.292 0.323) 1.381 17.970 ( 0.029 0.840 0.797) 1.159 24.850 ( 3.761 5.548 -3.223) 7.437 24.915 ( -1.821 0.597 1.561) 2.471 25.276 ( -2.758 2.961 -1.802) 4.430 25.354 ( 1.560 1.962 -4.699) 5.326 28.265 ( 0.998 -0.310 0.113) 1.051 28.282 ( -0.157 0.051 0.834) 0.851 28.399 ( 1.327 0.315 -0.491) 1.449 28.430 ( -0.741 1.140 -0.273) 1.386 28.779 ( 0.044 -0.121 4.946) 4.948 28.989 ( 1.543 -1.477 -1.990) 2.919 30.677 ( -2.168 1.707 1.470) 3.126 30.982 ( -5.703 -2.053 -7.262) 9.459 33.484 ( -0.675 -1.107 12.708) 12.774 33.961 ( 12.288 -23.231 21.146) 33.732 34.138 ( 7.941 -0.917 -9.739) 12.600 34.936 ( 24.230 2.282 -10.510) 26.509 35.700 ( 2.093 0.225 1.819) 2.782 35.892 ( -1.682 -3.218 2.959) 4.685 36.119 ( 0.399 8.283 -0.568) 8.312 36.503 ( -8.401 7.118 2.999) 11.412 39.341 ( -5.156 1.768 3.863) 6.681 39.799 ( -14.261 -9.170 -13.427) 21.628 40.795 ( -9.039 -0.518 2.705) 9.449 40.869 ( -0.305 -0.168 -3.551) 3.568 76.597 ( -0.887 0.666 2.602) 2.829 76.715 ( 2.114 3.704 -3.091) 5.267 79.507 ( 4.349 28.801 0.963) 29.143 80.472 ( -9.697 13.939 -32.414) 36.592 ======================= Grid point 176 (91/136) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -4.935 12.504 16.511) 21.291 1.301 ( -4.497 15.647 13.003) 20.835 1.854 ( 3.304 5.005 -11.910) 13.335 1.965 ( 6.327 -0.691 -15.048) 16.339 2.068 ( 3.515 -8.550 3.495) 9.883 2.188 ( 3.684 7.878 15.802) 18.037 2.263 ( -6.359 -3.562 2.264) 7.632 2.620 ( 3.417 -11.873 3.904) 12.957 2.852 ( -2.434 -0.247 -1.902) 3.099 2.921 ( -2.448 -3.779 -1.098) 4.635 2.989 ( -2.838 4.279 -2.793) 5.845 3.119 ( -1.292 0.557 -1.176) 1.834 3.171 ( 1.094 1.688 -2.712) 3.376 3.221 ( 0.994 1.137 -1.331) 2.013 3.643 ( 1.754 5.620 -2.646) 6.455 3.710 ( -1.858 11.358 -8.363) 14.226 4.124 ( 1.643 1.795 4.982) 5.545 4.251 ( 3.069 2.819 0.715) 4.228 4.276 ( -0.877 0.135 1.413) 1.669 4.377 ( -4.247 -6.004 -2.964) 7.929 4.477 ( -4.596 -6.804 3.398) 8.886 4.659 ( 3.271 -4.690 -4.055) 7.010 4.840 ( -5.901 3.012 4.129) 7.807 5.097 ( 8.489 5.470 -3.596) 10.720 5.168 ( 0.868 2.369 6.509) 6.981 5.323 ( -1.617 -4.942 1.603) 5.441 5.496 ( 1.976 2.168 3.518) 4.581 5.620 ( 2.180 -1.831 -0.686) 2.928 5.729 ( -0.379 -0.591 -0.365) 0.791 5.818 ( -1.787 2.140 -5.003) 5.727 6.177 ( 0.374 -1.975 3.967) 4.447 6.370 ( 2.800 -4.114 -3.204) 5.918 6.710 ( -5.263 -0.547 2.670) 5.927 6.825 ( 1.914 -4.443 -2.781) 5.580 7.866 ( 0.399 -2.154 -0.444) 2.235 7.968 ( 0.917 -6.149 -3.929) 7.355 12.262 ( -0.666 0.814 1.065) 1.497 12.286 ( -0.078 1.600 -0.283) 1.626 12.334 ( -0.452 -0.793 1.476) 1.736 12.392 ( 0.615 -1.793 -1.107) 2.195 12.561 ( 0.503 1.357 0.860) 1.684 12.582 ( -0.080 0.563 -0.608) 0.832 13.531 ( -1.660 1.880 1.448) 2.896 13.627 ( 0.919 0.173 -3.893) 4.004 15.890 ( -1.925 2.449 3.337) 4.565 15.992 ( 0.867 -0.526 -0.804) 1.294 16.604 ( -0.308 0.958 0.365) 1.070 16.635 ( 0.411 -0.060 -0.956) 1.042 16.822 ( -2.298 1.924 -0.233) 3.006 16.877 ( 1.358 0.776 -2.495) 2.945 17.009 ( 0.357 1.430 0.276) 1.499 17.054 ( 0.088 0.199 -1.303) 1.321 17.835 ( 1.242 0.103 2.280) 2.598 17.893 ( -0.797 -0.970 -0.773) 1.474 17.939 ( -0.092 0.209 0.604) 0.646 17.968 ( -0.332 -0.105 -0.376) 0.512 24.895 ( -2.607 1.585 1.372) 3.345 24.979 ( 3.299 0.349 -1.856) 3.801 25.288 ( -2.389 5.830 -3.973) 7.449 25.391 ( 2.296 1.871 -5.543) 6.285 28.269 ( -0.406 -0.147 0.447) 0.622 28.281 ( 0.476 -0.576 -0.084) 0.752 28.422 ( -0.093 1.495 0.546) 1.594 28.456 ( 1.219 0.871 -0.631) 1.626 28.811 ( -0.153 -0.072 4.130) 4.134 28.938 ( -0.436 -3.041 -1.943) 3.635 30.705 ( -0.746 2.187 2.140) 3.150 30.820 ( -3.062 -0.595 -3.441) 4.645 33.543 ( -2.720 0.066 15.929) 16.159 33.800 ( -3.932 -13.025 23.494) 27.149 34.264 ( 4.374 6.187 -12.426) 14.554 34.740 ( -5.384 -7.770 -19.574) 21.737 35.815 ( 1.433 -1.694 3.259) 3.943 35.904 ( 3.941 -3.604 -0.413) 5.356 36.360 ( -2.628 6.000 3.785) 7.565 36.520 ( 8.017 1.811 -3.856) 9.079 39.369 ( 0.164 2.479 2.634) 3.621 39.476 ( -3.227 -1.079 -2.046) 3.970 40.739 ( -2.620 1.963 2.439) 4.083 40.843 ( 1.386 -1.115 -2.380) 2.972 76.628 ( -2.389 3.188 3.576) 5.354 76.764 ( 2.077 -0.666 -1.724) 2.781 80.163 ( 9.731 22.284 -9.481) 26.099 80.377 ( -13.206 18.590 -20.354) 30.565 ======================= Grid point 177 (92/136) ======================= q-point: ( 0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.096 6.756 17.559) 18.930 1.407 ( 5.945 12.148 13.520) 19.123 1.816 ( 0.959 6.171 -16.269) 17.427 1.943 ( 6.478 2.645 -13.816) 15.487 2.091 ( -4.217 -11.152 -3.879) 12.538 2.223 ( 7.600 -9.092 3.327) 12.308 2.469 ( 6.861 6.054 16.454) 18.827 2.649 ( 1.209 -5.931 -2.398) 6.511 2.828 ( -3.916 -2.613 -1.435) 4.922 2.858 ( -0.211 -3.348 3.253) 4.673 2.894 ( -4.112 9.054 -0.128) 9.945 3.141 ( 0.867 0.478 1.960) 2.196 3.191 ( 3.650 4.542 -3.261) 6.677 3.262 ( 4.709 -2.087 -4.039) 6.546 3.641 ( 0.046 10.336 -4.714) 11.361 3.701 ( 6.055 6.042 -0.625) 8.577 4.134 ( -1.911 1.727 2.238) 3.412 4.252 ( -7.730 -2.504 -1.294) 8.228 4.292 ( -1.400 0.648 1.698) 2.295 4.322 ( 3.863 3.234 1.502) 5.258 4.445 ( -0.126 -6.351 3.504) 7.255 4.667 ( -3.105 -2.958 -0.080) 4.289 4.784 ( 1.474 -4.249 -1.343) 4.694 5.090 ( -9.104 -6.166 4.032) 11.711 5.226 ( 4.010 6.497 -6.903) 10.293 5.371 ( 3.224 2.702 3.484) 5.462 5.552 ( 3.596 0.526 -0.006) 3.634 5.651 ( 0.317 -0.238 -1.102) 1.170 5.709 ( -1.507 1.386 -0.539) 2.117 5.764 ( 0.625 2.505 -1.034) 2.781 6.147 ( -6.471 -1.608 2.434) 7.098 6.337 ( -3.716 -8.965 -4.085) 10.530 6.653 ( -2.525 0.365 2.509) 3.578 6.843 ( 1.577 -5.579 -1.546) 6.000 7.802 ( -5.270 -1.813 -1.542) 5.783 7.970 ( 0.485 -5.048 -1.740) 5.361 12.253 ( -1.171 1.140 1.010) 1.921 12.270 ( -1.408 1.674 -0.161) 2.194 12.335 ( -0.570 -0.815 1.438) 1.748 12.399 ( 0.992 -1.904 -0.991) 2.365 12.566 ( -0.471 1.190 0.331) 1.322 12.572 ( -0.519 0.931 -0.608) 1.227 13.511 ( -1.801 2.387 1.622) 3.402 13.622 ( 1.178 -0.003 -2.400) 2.673 15.882 ( -1.607 3.235 3.053) 4.730 16.000 ( 0.767 -0.727 -0.798) 1.324 16.604 ( 0.202 0.836 0.401) 0.949 16.642 ( 0.902 -0.094 -0.828) 1.228 16.788 ( -1.382 1.734 0.911) 2.397 16.897 ( 2.245 0.529 -1.596) 2.805 17.012 ( -0.195 1.054 0.035) 1.073 17.049 ( 0.361 0.198 -1.048) 1.126 17.849 ( -1.264 0.787 -0.076) 1.491 17.878 ( -0.306 -0.908 1.191) 1.528 17.925 ( -0.916 0.025 -0.238) 0.946 17.981 ( 1.225 -0.446 0.211) 1.321 24.849 ( -3.257 2.580 0.931) 4.258 25.015 ( 1.999 -1.495 -1.648) 2.992 25.230 ( -1.884 6.382 -0.580) 6.680 25.394 ( 2.152 1.595 -4.652) 5.368 28.260 ( -0.561 0.155 0.109) 0.592 28.288 ( 0.162 -0.741 0.030) 0.759 28.426 ( 0.235 2.024 0.141) 2.043 28.473 ( 1.237 0.943 -1.188) 1.957 28.831 ( -1.137 -1.010 3.903) 4.189 28.910 ( -0.883 -2.567 -1.943) 3.338 30.714 ( -0.128 2.082 2.303) 3.108 30.804 ( 2.577 0.859 -0.009) 2.717 33.566 ( -8.524 1.932 16.191) 18.400 33.802 ( -10.629 -7.060 16.646) 20.974 34.175 ( -5.615 3.513 -10.462) 12.382 34.525 ( -4.710 -9.602 -12.414) 16.385 35.795 ( -3.025 -0.476 -0.731) 3.149 35.938 ( 0.753 -4.672 -2.189) 5.214 36.302 ( -0.212 10.674 0.726) 10.701 36.706 ( 9.592 -1.788 -2.619) 10.103 39.415 ( 2.569 0.877 3.849) 4.710 39.525 ( 9.047 -1.761 -3.328) 9.800 40.732 ( -0.436 1.917 2.861) 3.471 40.877 ( 3.853 -1.682 -1.580) 4.492 76.601 ( -2.940 4.256 2.786) 5.876 76.791 ( 1.992 -1.522 -1.124) 2.748 80.040 ( -11.602 21.996 -7.148) 25.875 80.232 ( 4.319 16.422 -6.893) 18.326 ======================= Grid point 178 (93/136) ======================= q-point: ( 0.18 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 2.433 2.896 7.314) 8.234 1.630 ( 4.519 4.145 -0.171) 6.134 1.726 ( 4.933 7.943 -0.147) 9.351 1.946 ( 5.215 0.989 -13.270) 14.293 2.078 ( 4.005 -5.991 -1.793) 7.426 2.371 ( 7.154 -7.831 1.931) 10.781 2.616 ( 1.481 -3.730 -2.163) 4.559 2.665 ( 2.739 -6.008 -1.985) 6.895 2.808 ( 1.161 1.723 6.615) 6.934 2.848 ( 0.753 11.566 -0.789) 11.618 2.923 ( 1.259 0.425 9.533) 9.625 3.182 ( 2.174 2.842 1.810) 4.010 3.208 ( 0.854 2.880 -4.652) 5.537 3.319 ( 4.344 -4.273 -1.695) 6.325 3.631 ( -0.543 6.898 -0.182) 6.922 3.828 ( 6.836 6.555 0.698) 9.496 4.065 ( -8.432 4.476 -1.594) 9.679 4.159 ( 1.400 -0.994 2.384) 2.938 4.232 ( -5.218 -0.719 1.172) 5.396 4.401 ( 2.205 -0.483 4.079) 4.662 4.499 ( -1.363 -4.794 1.600) 5.234 4.617 ( 2.765 -3.484 0.748) 4.510 4.829 ( 0.989 -6.084 -1.075) 6.257 4.930 ( -6.787 -8.095 -1.931) 10.739 5.166 ( -4.566 5.810 -4.416) 8.608 5.431 ( 0.838 3.218 1.478) 3.639 5.599 ( -4.567 3.375 0.840) 5.741 5.615 ( 2.951 1.162 -2.034) 3.768 5.708 ( 0.562 0.343 0.702) 0.963 5.809 ( 3.512 0.013 0.742) 3.590 5.991 ( -9.443 -1.131 -3.478) 10.126 6.203 ( -7.330 -7.563 -2.905) 10.926 6.658 ( 0.630 -0.242 2.556) 2.644 6.853 ( 0.738 -5.282 -1.480) 5.535 7.687 ( -5.634 0.736 -2.013) 6.028 7.942 ( -3.106 -5.189 0.314) 6.055 12.235 ( -1.461 1.350 0.525) 2.057 12.237 ( -2.085 1.549 -0.154) 2.602 12.336 ( -0.527 -0.736 1.726) 1.949 12.413 ( 1.217 -2.108 -0.726) 2.540 12.549 ( -0.888 0.991 -1.031) 1.684 12.560 ( -0.915 0.989 0.337) 1.389 13.493 ( -1.567 2.810 1.942) 3.758 13.634 ( 1.469 -0.966 -1.137) 2.094 15.878 ( -0.903 3.974 2.417) 4.738 16.013 ( 1.323 -0.921 -0.819) 1.808 16.619 ( 0.945 0.527 0.540) 1.209 16.650 ( 0.557 -0.065 -0.671) 0.875 16.785 ( -0.273 0.820 1.821) 2.016 16.922 ( 1.237 -0.267 -1.035) 1.634 17.004 ( -0.398 0.787 -0.455) 0.992 17.050 ( 0.308 0.638 -0.574) 0.911 17.818 ( -1.184 1.008 -1.151) 1.935 17.873 ( -1.781 1.197 1.989) 2.926 17.914 ( -0.019 -0.738 -0.928) 1.185 18.002 ( 0.973 -0.798 -0.020) 1.259 24.801 ( -2.678 3.007 0.946) 4.136 25.026 ( 0.570 -3.234 -1.575) 3.642 25.211 ( -0.823 5.760 1.596) 6.033 25.398 ( 1.422 1.187 -3.424) 3.893 28.254 ( 0.016 0.438 -0.197) 0.481 28.287 ( -0.202 -0.506 -0.032) 0.545 28.431 ( 0.416 2.152 -0.402) 2.229 28.483 ( 0.744 1.008 -0.853) 1.515 28.823 ( -2.212 -0.961 2.628) 3.567 28.884 ( -0.851 -1.875 -1.021) 2.298 30.744 ( 1.709 3.041 2.141) 4.092 30.878 ( 3.754 0.342 2.671) 4.620 33.466 ( -14.011 4.059 14.167) 20.334 33.713 ( -11.387 -4.170 14.424) 18.844 33.970 ( -6.092 2.241 -12.946) 14.482 34.313 ( -11.514 -11.379 -9.758) 18.902 35.759 ( 1.163 1.283 -1.858) 2.540 35.939 ( 2.473 -4.648 -2.416) 5.793 36.374 ( 6.406 11.124 0.243) 12.838 36.804 ( 3.623 0.047 -1.326) 3.859 39.512 ( 4.079 -1.010 4.972) 6.510 39.682 ( 11.067 -4.660 -5.846) 13.355 40.758 ( 0.557 1.733 3.590) 4.025 40.945 ( 4.255 -2.672 -0.699) 5.073 76.568 ( -2.493 5.044 1.941) 5.952 76.814 ( 1.034 -2.546 -0.661) 2.826 79.868 ( -5.946 17.769 1.434) 18.792 80.216 ( -1.951 10.745 -2.848) 11.286 ======================= Grid point 179 (94/136) ======================= q-point: ( 0.27 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 7.657 -1.410 -8.760) 11.719 1.626 ( 4.200 7.370 -3.295) 9.100 1.899 ( 5.639 11.340 2.528) 12.915 2.024 ( 7.930 -3.596 1.544) 8.843 2.159 ( 6.305 -3.835 -2.803) 7.894 2.497 ( 5.719 -7.144 -1.057) 9.212 2.614 ( 3.140 -4.213 0.664) 5.296 2.707 ( 1.919 -2.757 -0.343) 3.376 2.821 ( 0.193 2.197 -1.971) 2.958 2.968 ( 5.468 7.003 4.857) 10.126 2.995 ( -0.227 0.901 7.480) 7.538 3.166 ( -0.620 1.483 -4.924) 5.180 3.245 ( 2.874 0.763 1.394) 3.284 3.398 ( 4.433 -3.365 1.098) 5.673 3.568 ( -6.472 7.327 0.990) 9.826 3.880 ( -0.886 7.008 -1.226) 7.169 4.016 ( 3.352 0.961 2.367) 4.215 4.148 ( -4.361 0.349 2.113) 4.858 4.224 ( 2.335 -4.119 0.378) 4.750 4.399 ( -6.511 -0.958 2.100) 6.908 4.461 ( 1.096 -5.020 0.301) 5.147 4.688 ( -8.380 -2.472 -3.278) 9.332 4.763 ( 5.955 -5.293 3.981) 8.907 4.926 ( 3.879 -5.313 -3.384) 7.398 5.058 ( -3.839 0.727 -1.271) 4.108 5.415 ( -2.582 1.184 -2.292) 3.650 5.514 ( -5.901 2.722 2.222) 6.868 5.598 ( -4.113 -0.212 0.706) 4.179 5.720 ( -0.658 0.295 -0.031) 0.722 5.824 ( -4.050 -0.957 -3.383) 5.363 5.869 ( 1.801 0.905 0.934) 2.222 6.069 ( -3.650 -4.417 -4.885) 7.530 6.696 ( 1.599 0.259 1.826) 2.441 6.848 ( -0.176 -3.449 -1.087) 3.621 7.586 ( -3.978 2.803 -1.460) 5.080 7.867 ( -5.468 -4.588 0.835) 7.186 12.199 ( -1.790 1.344 -0.298) 2.258 12.209 ( -1.653 0.944 0.076) 1.905 12.343 ( -0.212 -0.502 2.140) 2.208 12.430 ( 1.075 -2.083 -0.453) 2.387 12.526 ( -0.620 0.968 -1.318) 1.749 12.543 ( -1.221 0.663 0.403) 1.446 13.484 ( -1.163 2.911 2.421) 3.960 13.653 ( 1.331 -2.006 -0.790) 2.534 15.886 ( 0.017 4.316 1.909) 4.720 16.032 ( 1.514 -1.061 -1.028) 2.115 16.640 ( 0.940 0.174 0.377) 1.028 16.654 ( 0.284 -0.077 -0.165) 0.338 16.796 ( -0.127 0.192 1.768) 1.783 16.918 ( -0.646 -1.132 -1.422) 1.929 16.997 ( 0.070 1.375 -0.291) 1.408 17.052 ( 0.164 0.767 -0.113) 0.793 17.794 ( -0.505 1.185 -1.239) 1.787 17.845 ( -2.549 1.658 1.242) 3.285 17.907 ( 0.114 -0.023 -0.886) 0.893 18.015 ( 0.677 -1.088 -0.629) 1.428 24.770 ( -1.640 2.851 1.407) 3.578 25.014 ( -0.395 -4.145 -1.882) 4.570 25.217 ( -0.244 4.643 2.364) 5.216 25.394 ( 0.623 0.760 -2.610) 2.789 28.259 ( 0.666 0.596 -0.390) 0.975 28.283 ( -0.228 -0.037 -0.118) 0.260 28.434 ( 0.355 1.957 -0.618) 2.083 28.487 ( 0.152 0.746 -0.343) 0.835 28.798 ( -2.370 -0.166 2.096) 3.168 28.863 ( -0.770 -1.291 -0.755) 1.682 30.797 ( 2.067 3.363 2.491) 4.668 30.956 ( 2.275 -0.264 3.031) 3.799 33.309 ( -13.223 4.389 11.703) 18.195 33.600 ( -12.565 -4.234 13.527) 18.942 33.799 ( -2.744 0.771 -12.171) 12.500 34.004 ( -11.966 -7.037 -12.975) 19.001 35.805 ( 4.032 1.830 0.065) 4.429 36.002 ( 5.549 -4.801 -1.218) 7.438 36.497 ( 6.961 9.377 -0.861) 11.710 36.836 ( 1.143 1.837 -0.787) 2.302 39.614 ( 2.865 -2.252 5.390) 6.507 39.817 ( 9.111 -6.242 -7.143) 13.153 40.798 ( 0.644 1.532 4.166) 4.485 41.006 ( 2.679 -3.507 -0.328) 4.426 76.546 ( -1.245 5.185 1.391) 5.511 76.813 ( -0.681 -3.079 -0.737) 3.238 79.817 ( -3.160 12.218 5.096) 13.610 80.135 ( -5.040 6.647 -1.136) 8.419 ======================= Grid point 180 (95/136) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 13.800 1.038 -5.898) 15.043 1.742 ( 10.663 5.073 -3.900) 12.435 2.009 ( 4.078 11.450 4.867) 13.093 2.130 ( 2.633 -2.308 1.592) 3.846 2.250 ( 5.600 -2.084 -3.124) 6.743 2.592 ( 3.842 -1.494 0.890) 4.217 2.681 ( -1.330 -3.416 -0.485) 3.698 2.715 ( 1.528 -4.288 1.488) 4.789 2.834 ( 2.083 -3.810 1.499) 4.593 2.908 ( -6.724 1.141 -0.503) 6.839 3.123 ( 2.035 2.267 0.217) 3.054 3.170 ( 5.052 2.631 2.679) 6.294 3.275 ( 0.870 1.880 -1.210) 2.399 3.459 ( 0.169 3.251 0.125) 3.258 3.501 ( -1.975 -0.573 3.569) 4.119 3.850 ( -1.168 5.971 -1.229) 6.207 4.089 ( 1.171 -8.402 1.184) 8.566 4.137 ( 0.528 2.572 3.253) 4.180 4.181 ( -3.233 -0.138 -2.875) 4.329 4.350 ( -0.543 1.717 1.440) 2.306 4.446 ( -2.425 -6.143 -3.448) 7.450 4.539 ( -4.921 -2.832 -0.738) 5.726 4.827 ( -0.570 -0.717 1.420) 1.690 4.995 ( 2.702 -7.091 -1.545) 7.744 5.029 ( 1.322 -2.882 2.021) 3.760 5.310 ( -5.125 -2.240 -5.265) 7.681 5.435 ( -4.231 1.197 2.237) 4.934 5.509 ( -5.810 -1.183 2.578) 6.465 5.697 ( -0.993 1.146 1.076) 1.860 5.806 ( 1.983 -0.636 -0.907) 2.272 5.889 ( 0.582 2.366 -0.130) 2.440 6.008 ( 0.128 -2.708 -5.176) 5.843 6.734 ( 1.413 0.625 0.903) 1.790 6.831 ( -1.048 -1.085 -0.494) 1.588 7.533 ( -0.907 3.522 -0.533) 3.676 7.767 ( -5.914 -3.114 0.233) 6.688 12.171 ( -0.980 0.850 -0.369) 1.349 12.180 ( -1.361 0.554 -0.266) 1.494 12.358 ( -0.113 -0.330 2.529) 2.553 12.443 ( 0.737 -1.839 -0.410) 2.023 12.510 ( -0.178 0.906 -1.106) 1.441 12.523 ( -1.165 0.467 0.142) 1.263 13.487 ( -0.668 2.663 2.988) 4.058 13.665 ( 0.708 -2.532 -1.257) 2.914 15.905 ( 0.544 4.163 1.767) 4.555 16.046 ( 0.915 -0.944 -1.494) 1.990 16.655 ( 0.648 -0.283 -0.175) 0.729 16.658 ( 0.023 -0.066 0.502) 0.507 16.803 ( -0.352 0.017 1.217) 1.267 16.888 ( -1.172 -0.926 -1.700) 2.263 17.001 ( 0.398 1.477 0.198) 1.543 17.053 ( -0.061 0.702 -0.001) 0.704 17.781 ( -0.115 0.978 -1.071) 1.455 17.805 ( -2.361 1.397 0.399) 2.772 17.909 ( 0.560 0.874 -0.227) 1.063 18.016 ( 0.217 -1.103 -1.343) 1.751 24.763 ( -0.600 2.380 2.116) 3.241 24.986 ( -0.929 -4.081 -2.442) 4.846 25.234 ( 0.107 3.413 2.479) 4.220 25.384 ( 0.299 0.427 -2.339) 2.396 28.271 ( 1.037 0.629 -0.482) 1.305 28.278 ( -0.145 0.481 -0.077) 0.508 28.436 ( 0.383 1.477 -0.493) 1.604 28.482 ( -0.617 0.356 -0.089) 0.718 28.773 ( -2.030 0.859 2.191) 3.108 28.846 ( -0.288 -0.881 -1.066) 1.412 30.849 ( 1.451 2.946 2.955) 4.418 30.996 ( 0.232 -0.585 1.937) 2.037 33.178 ( -9.964 3.565 9.916) 14.502 33.465 ( -12.666 -4.750 12.198) 18.215 33.686 ( -1.012 -0.128 -11.891) 11.934 33.762 ( -2.965 -2.678 -12.281) 12.915 35.888 ( 4.156 2.559 1.995) 5.273 36.094 ( 4.778 -3.965 -0.563) 6.234 36.601 ( 5.655 6.967 -1.655) 9.124 36.834 ( -0.753 2.601 -0.960) 2.873 39.686 ( 0.767 -2.665 5.248) 5.936 39.905 ( 6.750 -7.072 -7.545) 12.349 40.839 ( 0.394 1.073 4.439) 4.584 41.033 ( 0.766 -3.695 -0.646) 3.829 76.547 ( 0.244 4.530 1.387) 4.744 76.778 ( -2.317 -2.628 -1.175) 3.695 79.809 ( -2.985 8.602 6.974) 11.469 80.042 ( -3.072 3.845 -2.520) 5.530 ======================= Grid point 181 (96/136) ======================= q-point: ( 0.45 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 10.957 4.126 -0.289) 11.712 1.892 ( 6.631 2.954 -2.821) 7.788 2.113 ( 6.770 0.670 2.379) 7.207 2.212 ( 4.844 8.604 4.183) 10.724 2.293 ( 1.367 -0.369 -2.096) 2.530 2.527 ( -7.999 -0.626 -2.701) 8.466 2.574 ( -7.668 -3.100 -3.043) 8.812 2.756 ( 0.897 -5.096 5.692) 7.693 2.885 ( 0.816 -4.779 2.852) 5.625 2.924 ( 3.797 -3.587 2.632) 5.849 3.086 ( -5.883 1.991 -0.672) 6.247 3.215 ( -0.889 1.847 -1.229) 2.390 3.310 ( 2.521 -0.483 -0.989) 2.751 3.426 ( -2.843 3.820 0.580) 4.797 3.510 ( 2.318 -0.078 1.389) 2.703 3.813 ( -2.135 3.927 -3.496) 5.675 4.046 ( -3.333 3.071 0.435) 4.553 4.151 ( 3.462 -4.593 1.378) 5.915 4.234 ( 3.379 1.451 -0.239) 3.686 4.340 ( -3.516 -0.201 -4.243) 5.514 4.386 ( 3.077 -1.521 -0.746) 3.512 4.489 ( -1.189 -7.799 -0.864) 7.936 4.818 ( -1.966 -1.033 3.389) 4.051 4.977 ( -4.364 -5.945 3.781) 8.288 5.054 ( -2.496 -3.845 0.551) 4.617 5.209 ( 1.700 -3.071 -7.423) 8.211 5.404 ( -2.774 -0.159 4.158) 5.000 5.477 ( 2.112 -2.869 -0.443) 3.590 5.705 ( 0.082 3.401 2.959) 4.509 5.844 ( 2.341 -0.255 -1.081) 2.591 5.893 ( -0.011 2.030 -0.586) 2.113 5.979 ( 0.486 -2.863 -4.470) 5.331 6.756 ( 0.157 0.838 1.120) 1.408 6.810 ( -0.560 0.035 -0.696) 0.894 7.547 ( 2.444 2.654 0.450) 3.636 7.669 ( -4.439 -1.080 -0.903) 4.657 12.156 ( -0.734 0.200 -0.008) 0.761 12.163 ( 0.129 0.560 -0.838) 1.016 12.373 ( -0.445 -0.321 2.800) 2.854 12.451 ( 0.533 -1.672 -0.604) 1.856 12.496 ( -1.152 0.990 0.294) 1.547 12.512 ( 0.568 0.386 -1.172) 1.358 13.503 ( -0.213 2.105 3.568) 4.148 13.660 ( 0.036 -2.247 -2.060) 3.049 15.928 ( 0.426 3.532 1.970) 4.067 16.041 ( -0.093 -0.521 -1.995) 2.064 16.659 ( -0.452 -0.076 0.502) 0.680 16.664 ( 0.583 -0.514 -0.225) 0.809 16.803 ( -0.523 0.072 1.024) 1.152 16.861 ( -0.323 -0.530 -1.682) 1.793 17.014 ( 0.720 1.346 0.576) 1.631 17.048 ( -0.312 0.717 -0.259) 0.824 17.766 ( -1.463 1.295 0.270) 1.973 17.781 ( 0.204 0.577 -0.930) 1.113 17.923 ( 0.878 1.063 0.420) 1.441 18.003 ( -0.281 -0.760 -1.971) 2.131 24.778 ( 0.229 1.682 2.889) 3.351 24.949 ( -0.970 -3.182 -3.028) 4.498 25.256 ( 0.349 2.402 2.346) 3.376 25.373 ( 0.487 0.283 -2.438) 2.503 28.276 ( -0.182 0.956 0.110) 0.979 28.286 ( 1.001 0.587 -0.719) 1.365 28.442 ( 0.547 0.758 -0.120) 0.943 28.464 ( -1.226 0.258 -0.094) 1.256 28.759 ( -1.316 1.565 2.323) 3.095 28.838 ( 0.309 -0.617 -1.322) 1.491 30.892 ( 0.849 2.056 3.515) 4.160 30.996 ( -1.149 -0.357 0.574) 1.333 33.098 ( -6.721 2.842 9.198) 11.741 33.338 ( -9.709 -4.586 9.661) 14.444 33.597 ( 1.818 1.243 -11.559) 11.767 33.719 ( 5.209 -2.360 -9.225) 10.854 35.972 ( 2.731 3.057 3.503) 5.393 36.145 ( 1.380 -2.098 -1.417) 2.883 36.677 ( 4.032 4.447 -1.066) 6.097 36.790 ( -3.332 2.761 -1.439) 4.561 39.716 ( -1.462 -2.345 4.928) 5.650 39.953 ( 4.877 -7.805 -7.551) 11.904 40.876 ( 0.126 0.267 4.640) 4.649 41.028 ( -0.387 -3.290 -1.280) 3.552 76.573 ( 1.130 3.251 2.047) 4.004 76.720 ( -2.761 -1.330 -1.779) 3.544 79.800 ( -4.164 7.890 7.687) 11.777 80.014 ( 3.280 1.497 -4.577) 5.826 ======================= Grid point 182 (97/136) ======================= q-point: (-0.45 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -12.562 3.122 -0.956) 12.979 2.062 ( 7.582 3.415 -5.618) 10.035 2.242 ( -5.753 -0.059 -0.970) 5.834 2.281 ( 3.261 0.938 3.726) 5.040 2.298 ( -3.268 -1.764 -2.614) 4.541 2.315 ( 1.369 -1.662 -1.116) 2.426 2.622 ( 5.757 -1.924 10.352) 12.000 2.739 ( -6.849 1.985 -5.036) 8.730 2.788 ( -7.947 -5.832 3.905) 10.603 2.897 ( -7.128 -3.710 1.552) 8.184 3.080 ( 3.488 1.774 4.796) 6.190 3.210 ( 1.407 2.229 -2.045) 3.336 3.310 ( -1.226 -2.329 0.067) 2.632 3.395 ( 0.116 1.455 -2.181) 2.624 3.603 ( 2.744 2.804 4.316) 5.833 3.735 ( 0.136 4.368 -5.875) 7.322 4.046 ( 0.353 6.221 4.740) 7.829 4.189 ( -1.982 -0.724 -3.494) 4.082 4.265 ( 0.168 -5.713 0.130) 5.717 4.277 ( 2.995 4.678 -2.205) 5.976 4.464 ( 0.697 -3.953 -3.403) 5.262 4.479 ( 6.889 -6.428 -2.111) 9.656 4.787 ( -6.185 -5.534 4.721) 9.548 4.878 ( -8.011 -3.773 7.195) 11.410 5.057 ( 6.205 -2.518 -4.803) 8.241 5.253 ( 4.072 -3.357 -1.771) 5.566 5.397 ( 0.300 1.252 2.161) 2.516 5.541 ( 4.783 -4.652 -1.494) 6.837 5.726 ( -0.845 5.196 3.360) 6.245 5.855 ( -0.306 2.037 -2.795) 3.472 5.887 ( 0.438 -0.890 0.660) 1.191 5.955 ( 0.017 -4.162 -4.524) 6.147 6.763 ( 0.166 1.521 0.936) 1.794 6.807 ( 0.640 -0.885 -0.750) 1.325 7.599 ( -1.243 1.006 -1.297) 2.059 7.626 ( 4.510 0.591 0.609) 4.589 12.150 ( 0.148 0.229 -0.053) 0.277 12.169 ( 1.173 0.415 -0.812) 1.486 12.381 ( -0.967 -0.544 2.820) 3.030 12.449 ( -0.268 -1.790 -0.789) 1.974 12.482 ( -0.381 1.603 0.180) 1.657 12.522 ( 1.284 0.057 -0.940) 1.592 13.529 ( -0.028 1.361 3.948) 4.176 13.641 ( -0.085 -1.285 -2.639) 2.936 15.946 ( -0.259 2.596 2.323) 3.493 16.017 ( -0.784 0.094 -2.163) 2.302 16.650 ( -0.740 -0.090 0.360) 0.827 16.673 ( 0.546 -0.529 -0.116) 0.769 16.796 ( -1.026 0.464 1.077) 1.558 16.858 ( 1.276 -0.423 -1.431) 1.964 17.030 ( 0.097 1.084 0.312) 1.132 17.043 ( 0.435 1.028 -0.320) 1.161 17.746 ( -0.924 1.387 0.388) 1.711 17.786 ( 0.956 0.246 -0.620) 1.165 17.944 ( 0.892 0.796 0.825) 1.453 17.979 ( -0.584 -0.134 -2.282) 2.359 24.809 ( 0.535 0.877 3.388) 3.541 24.913 ( -0.341 -1.740 -3.296) 3.743 25.280 ( 0.538 1.862 2.100) 2.858 25.368 ( 1.046 0.392 -2.846) 3.057 28.272 ( -0.288 1.252 0.038) 1.286 28.294 ( 0.475 0.482 -0.853) 1.089 28.439 ( -1.204 0.570 -0.062) 1.334 28.456 ( 0.669 0.061 0.288) 0.731 28.758 ( -0.808 1.778 2.303) 3.019 28.840 ( 1.070 -0.550 -1.330) 1.793 30.929 ( -0.109 0.993 3.687) 3.820 30.972 ( -1.145 0.461 0.092) 1.238 33.066 ( -4.473 2.537 9.480) 10.785 33.271 ( -5.337 -3.859 8.965) 11.124 33.595 ( 6.854 2.821 -10.672) 12.994 33.794 ( 10.240 -3.439 -8.900) 13.996 36.025 ( -0.284 2.598 3.831) 4.638 36.123 ( -1.738 -0.563 -2.762) 3.311 36.693 ( -5.976 3.266 -1.432) 6.959 36.730 ( 1.925 2.441 0.336) 3.127 39.705 ( -3.652 -1.390 4.578) 6.019 39.973 ( 3.424 -8.710 -7.449) 11.961 40.910 ( -0.268 -0.796 4.870) 4.942 41.006 ( -0.765 -2.588 -1.856) 3.276 76.604 ( -0.309 1.741 2.610) 3.153 76.670 ( -0.444 0.260 -1.768) 1.841 79.779 ( -3.246 9.642 5.970) 11.796 80.097 ( 9.615 -0.266 -4.805) 10.752 ======================= Grid point 183 (98/136) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -13.628 -0.466 -0.555) 13.647 1.837 ( -17.355 2.285 -9.511) 19.922 2.166 ( -7.513 -1.893 -0.036) 7.748 2.269 ( -2.931 0.982 -2.450) 3.944 2.281 ( 5.116 -1.665 -4.503) 7.016 2.422 ( -1.852 -6.533 8.349) 10.762 2.560 ( -3.089 -1.496 -3.094) 4.620 2.668 ( -8.888 -3.206 3.819) 10.191 2.742 ( -0.301 1.538 4.289) 4.566 2.877 ( 1.240 -0.687 3.526) 3.800 3.168 ( 2.053 1.414 2.931) 3.848 3.224 ( -3.260 0.961 0.127) 3.401 3.261 ( 0.966 5.144 -0.969) 5.323 3.426 ( 2.838 2.410 2.332) 4.394 3.561 ( -2.423 5.518 -2.683) 6.597 3.829 ( 6.547 1.844 1.577) 6.982 4.049 ( -2.170 -0.280 -1.703) 2.773 4.165 ( 0.562 6.343 4.261) 7.662 4.225 ( -4.491 -8.956 -0.023) 10.019 4.315 ( 1.646 4.393 -0.625) 4.733 4.480 ( 5.104 -2.192 -4.826) 7.358 4.592 ( 4.295 -4.956 -1.589) 6.748 4.687 ( -3.280 -6.661 3.638) 8.268 4.893 ( 3.207 -4.747 4.841) 7.501 5.127 ( 3.649 -0.384 -5.400) 6.529 5.299 ( 2.887 -3.576 -0.248) 4.602 5.448 ( 2.338 1.774 1.538) 3.313 5.612 ( 3.981 -4.624 -1.052) 6.192 5.726 ( -0.592 5.421 2.026) 5.817 5.804 ( -2.526 0.266 -2.343) 3.456 5.902 ( -2.576 -3.085 -3.243) 5.165 5.925 ( 3.548 -1.382 -0.496) 3.840 6.784 ( 2.215 0.984 -1.120) 2.670 6.817 ( 0.682 -1.635 -0.107) 1.775 7.580 ( 1.403 2.446 -2.572) 3.816 7.738 ( 6.199 -2.038 1.714) 6.747 12.162 ( 1.163 0.505 0.004) 1.268 12.191 ( 1.795 0.569 -0.712) 2.014 12.379 ( -1.446 -0.965 2.478) 3.027 12.434 ( -0.664 -1.526 -0.620) 1.776 12.484 ( 0.421 1.692 -0.108) 1.747 12.541 ( 1.420 -0.255 -0.669) 1.591 13.554 ( -0.374 0.758 3.464) 3.566 13.625 ( 0.618 -0.240 -2.486) 2.573 15.950 ( -1.175 1.708 2.323) 3.114 15.988 ( -0.802 0.703 -1.629) 1.947 16.640 ( -0.740 -0.101 0.377) 0.837 16.679 ( 0.183 -0.703 -0.244) 0.766 16.792 ( -0.220 1.299 1.485) 1.985 16.876 ( 1.496 -0.433 -1.223) 1.981 17.021 ( -0.457 1.171 -0.569) 1.380 17.059 ( 1.074 1.127 -0.092) 1.560 17.739 ( -0.336 1.562 0.530) 1.684 17.806 ( 1.505 0.074 -0.003) 1.507 17.949 ( -0.563 0.714 -1.993) 2.191 17.967 ( 0.541 0.385 0.772) 1.018 24.838 ( 0.248 0.494 2.121) 2.191 24.897 ( 0.829 -0.402 -1.832) 2.051 25.306 ( 0.820 1.852 1.663) 2.621 25.370 ( 1.869 0.750 -3.551) 4.082 28.265 ( -0.414 1.211 -0.219) 1.299 28.291 ( -0.085 0.303 -0.704) 0.771 28.421 ( -0.739 1.065 -0.058) 1.297 28.469 ( 0.353 -0.286 0.577) 0.735 28.761 ( -0.649 1.770 2.134) 2.848 28.858 ( 1.957 -0.823 -1.051) 2.369 30.908 ( -3.051 1.717 0.469) 3.532 30.992 ( 1.154 -0.354 3.043) 3.274 33.078 ( -2.478 2.252 11.513) 11.990 33.271 ( -2.366 -3.129 9.479) 10.259 33.689 ( 12.175 4.291 -10.551) 16.673 33.952 ( 14.814 -4.085 -9.507) 18.070 35.995 ( -4.620 1.019 -0.326) 4.742 36.067 ( -2.945 -0.717 -0.750) 3.123 36.562 ( -7.478 4.653 -0.489) 8.821 36.752 ( -0.448 1.707 1.712) 2.459 39.653 ( -5.614 -0.032 4.260) 7.047 39.968 ( 1.921 -9.846 -7.509) 12.531 40.933 ( -1.186 -1.877 4.884) 5.365 40.976 ( -0.864 -1.913 -2.256) 3.082 76.591 ( -1.275 1.866 0.348) 2.286 76.688 ( 1.433 0.200 1.360) 1.986 79.779 ( -0.627 13.578 4.048) 14.182 80.281 ( 15.076 -1.390 -6.092) 16.320 ======================= Grid point 184 (99/136) ======================= q-point: (-0.27 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -9.829 2.636 5.401) 11.521 1.485 ( -11.439 4.916 -10.561) 16.326 2.028 ( -7.973 -4.947 1.938) 9.581 2.164 ( -5.968 2.337 -2.691) 6.952 2.275 ( -3.732 -2.155 -0.602) 4.352 2.330 ( -6.652 -6.163 0.085) 9.069 2.494 ( -12.280 -2.885 3.413) 13.068 2.606 ( 3.805 -0.192 1.445) 4.075 2.773 ( -1.727 0.229 -0.140) 1.748 2.923 ( 3.652 -0.643 2.458) 4.449 3.106 ( -5.349 2.080 -0.180) 5.742 3.186 ( -0.952 0.740 1.524) 1.944 3.307 ( 0.725 6.337 -1.339) 6.518 3.430 ( -1.361 2.065 0.724) 2.577 3.647 ( 8.373 8.681 2.088) 12.240 3.846 ( -2.990 3.189 -2.525) 5.048 4.055 ( -8.186 -2.564 -1.176) 8.658 4.079 ( 4.632 -3.721 2.639) 6.502 4.255 ( -0.877 -3.643 2.537) 4.525 4.356 ( 3.594 7.116 4.874) 9.344 4.547 ( 5.446 0.704 -5.308) 7.638 4.591 ( -0.688 -8.807 4.209) 9.786 4.758 ( 4.617 -3.472 -1.561) 5.984 4.998 ( 4.360 -6.240 -0.499) 7.629 5.142 ( 3.782 0.323 -1.728) 4.170 5.321 ( -0.791 -4.388 -2.747) 5.237 5.450 ( -3.021 3.980 0.938) 5.084 5.656 ( 1.151 -2.510 -0.108) 2.763 5.728 ( -0.814 -3.385 -2.336) 4.193 5.793 ( 4.759 5.036 0.442) 6.943 5.837 ( -3.064 -1.159 0.757) 3.362 6.020 ( 7.685 -0.230 -0.605) 7.712 6.815 ( 2.589 -1.050 -3.134) 4.199 6.825 ( 0.302 -1.231 -0.208) 1.284 7.614 ( 4.530 2.719 -2.932) 6.043 7.859 ( 5.656 -4.755 1.641) 7.569 12.190 ( 1.866 0.870 0.128) 2.062 12.221 ( 2.039 0.915 -0.550) 2.301 12.365 ( -1.776 -1.176 1.903) 2.856 12.420 ( -0.415 -1.844 -0.556) 1.970 12.494 ( 0.659 1.835 0.153) 1.955 12.560 ( 1.215 -0.373 -0.582) 1.398 13.562 ( -0.737 1.022 1.732) 2.142 13.629 ( 1.332 -0.165 -1.685) 2.154 15.940 ( -1.616 1.307 2.020) 2.899 15.968 ( -0.473 0.985 -0.725) 1.312 16.629 ( -0.793 -0.048 0.377) 0.879 16.675 ( -0.362 -0.754 -0.461) 0.955 16.814 ( 1.154 1.663 1.952) 2.812 16.889 ( 0.847 -0.274 -1.212) 1.504 17.010 ( -0.207 1.506 -0.811) 1.723 17.073 ( 0.769 0.987 -0.757) 1.462 17.742 ( 0.155 1.806 0.894) 2.021 17.840 ( 1.899 -0.360 0.713) 2.060 17.927 ( -0.133 1.546 -1.752) 2.340 17.979 ( 0.001 0.253 0.970) 1.002 24.853 ( 1.237 1.452 -0.778) 2.060 24.911 ( 0.595 -0.207 1.107) 1.274 25.332 ( 1.179 2.104 0.554) 2.474 25.383 ( 2.733 1.342 -4.447) 5.390 28.256 ( -0.258 0.857 -0.358) 0.964 28.284 ( -0.312 0.088 -0.295) 0.438 28.411 ( -0.348 1.466 0.051) 1.508 28.473 ( -0.421 -0.147 0.567) 0.722 28.765 ( -0.578 1.730 2.142) 2.813 28.892 ( 2.468 -1.487 -0.837) 3.000 30.848 ( -3.830 2.973 0.142) 4.851 31.029 ( 0.621 -2.235 1.767) 2.916 33.156 ( 0.310 0.555 16.368) 16.380 33.315 ( -0.800 -2.580 10.511) 10.853 33.871 ( 16.218 5.767 -10.549) 20.188 34.186 ( 19.488 -3.413 -10.229) 22.272 35.889 ( -5.126 -0.052 -2.968) 5.923 35.983 ( -6.146 -3.405 -0.550) 7.047 36.433 ( -6.847 7.433 1.123) 10.168 36.738 ( -2.850 1.451 2.607) 4.126 39.569 ( -6.949 1.368 3.913) 8.091 39.928 ( -0.449 -11.087 -7.842) 13.588 40.930 ( -2.974 -2.269 4.087) 5.540 40.941 ( -1.217 -1.709 -2.349) 3.150 76.584 ( 0.325 2.500 0.359) 2.547 76.719 ( 0.528 -0.372 2.093) 2.191 79.819 ( 2.956 19.138 1.513) 19.424 80.529 ( 18.259 -1.803 -10.336) 21.059 ======================= Grid point 185 (100/136) ======================= q-point: (-0.18 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -3.665 12.497 10.573) 16.775 1.308 ( -3.638 8.984 -2.919) 10.123 1.929 ( -3.550 -7.348 -0.048) 8.160 2.028 ( -9.923 5.151 5.813) 12.601 2.141 ( -9.238 5.537 0.132) 10.771 2.225 ( -5.165 -3.245 -8.709) 10.633 2.370 ( -1.235 -11.428 6.696) 13.303 2.577 ( -6.266 -6.820 -2.972) 9.727 2.787 ( 4.209 5.629 1.424) 7.172 2.975 ( 0.031 2.881 -0.044) 2.882 3.070 ( 0.088 -0.886 -0.715) 1.142 3.179 ( -1.097 0.626 2.126) 2.473 3.271 ( -2.120 1.175 -1.704) 2.963 3.400 ( -3.757 0.162 -1.755) 4.150 3.714 ( -0.453 5.800 -4.184) 7.166 3.837 ( 1.861 8.640 0.778) 8.873 3.944 ( -1.829 1.756 1.311) 2.855 4.162 ( 1.599 -3.213 1.352) 3.835 4.245 ( 0.378 -1.576 2.271) 2.790 4.455 ( 2.144 -1.459 2.359) 3.506 4.607 ( 3.567 -0.789 0.225) 3.660 4.626 ( 0.321 -9.340 1.024) 9.402 4.773 ( 0.129 2.150 -1.072) 2.406 5.007 ( 1.759 -6.318 -9.445) 11.499 5.208 ( -1.590 -1.509 -1.426) 2.616 5.285 ( -0.161 2.409 9.796) 10.089 5.398 ( -1.537 4.745 -1.087) 5.104 5.652 ( -1.731 -2.370 0.735) 3.025 5.720 ( 0.885 -3.982 -0.128) 4.081 5.807 ( -0.159 -3.795 1.577) 4.113 5.930 ( 10.161 6.774 -3.419) 12.682 6.173 ( 8.152 0.290 1.502) 8.294 6.815 ( -1.553 -2.782 1.018) 3.345 6.828 ( 1.945 -0.817 -5.362) 5.762 7.696 ( 6.827 1.708 -3.042) 7.667 7.952 ( 3.464 -6.935 0.595) 7.774 12.226 ( 1.897 1.100 0.318) 2.216 12.253 ( 1.866 1.257 -0.423) 2.289 12.346 ( -1.683 -1.211 1.778) 2.732 12.408 ( -0.404 -2.120 -1.011) 2.383 12.512 ( 1.002 1.805 0.798) 2.214 12.575 ( 0.872 -0.240 -0.561) 1.064 13.557 ( -0.823 1.525 1.025) 2.014 13.640 ( 1.399 -0.529 -2.561) 2.966 15.923 ( -2.173 1.377 2.736) 3.755 15.963 ( 0.728 0.807 -0.888) 1.404 16.617 ( -0.784 0.288 0.302) 0.888 16.661 ( -0.665 -0.516 -0.657) 1.068 16.848 ( 1.069 1.115 0.634) 1.670 16.891 ( 0.359 0.045 -0.639) 0.734 17.002 ( 0.050 1.776 -0.932) 2.007 17.074 ( 0.244 0.776 -1.465) 1.676 17.759 ( 0.797 1.744 1.525) 2.450 17.877 ( 1.340 -1.551 0.847) 2.218 17.924 ( 0.881 2.370 -0.981) 2.712 17.982 ( -0.447 0.301 0.890) 1.041 24.879 ( 2.931 2.253 -2.057) 4.230 24.924 ( -0.503 -0.059 2.215) 2.272 25.351 ( 1.328 2.509 -1.722) 3.320 25.399 ( 2.753 1.948 -5.541) 6.486 28.254 ( 0.258 0.398 -0.223) 0.524 28.278 ( -0.186 -0.169 0.207) 0.326 28.409 ( -0.041 1.579 0.282) 1.605 28.463 ( -1.001 0.308 0.516) 1.168 28.772 ( -0.491 1.598 2.520) 3.024 28.928 ( 2.093 -2.330 -0.978) 3.281 30.779 ( -3.844 3.534 0.291) 5.230 31.020 ( -2.031 -3.840 -1.834) 4.715 33.324 ( 2.528 -3.738 19.790) 20.298 33.401 ( 1.028 -3.013 15.194) 15.524 34.086 ( 15.737 6.604 -11.975) 20.849 34.513 ( 25.352 -3.341 -10.573) 27.671 35.776 ( -5.044 -0.833 -3.878) 6.417 35.865 ( -5.407 -3.787 0.859) 6.657 36.337 ( -4.899 9.479 1.455) 10.769 36.687 ( -5.240 1.276 2.936) 6.140 39.469 ( -6.874 2.464 3.365) 8.040 39.826 ( -4.944 -11.309 -7.861) 14.633 40.880 ( -5.503 -2.012 3.006) 6.586 40.899 ( -1.364 -0.875 -2.617) 3.078 76.605 ( 1.028 2.482 1.434) 3.045 76.736 ( 0.073 -0.340 1.224) 1.272 79.908 ( 7.387 24.316 -2.704) 25.557 80.732 ( 14.232 -0.232 -18.822) 23.598 ======================= Grid point 186 (101/136) ======================= q-point: (-0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -4.647 18.019 7.603) 20.102 1.304 ( -3.591 11.138 12.361) 17.022 1.894 ( 1.348 -5.781 -1.377) 6.094 1.934 ( -3.181 6.293 -5.214) 8.769 2.023 ( -3.684 10.422 14.127) 17.938 2.104 ( -1.549 -3.891 -7.677) 8.745 2.418 ( -7.366 -7.924 -1.646) 10.943 2.485 ( 5.535 -12.862 5.253) 14.956 2.882 ( 4.660 5.660 0.152) 7.333 2.942 ( -3.140 -0.487 -1.029) 3.340 3.035 ( -0.924 -0.714 -5.319) 5.446 3.175 ( -0.608 1.722 0.542) 1.904 3.223 ( -3.641 1.005 -0.240) 3.785 3.269 ( -6.200 -3.561 -3.810) 8.102 3.666 ( -1.286 5.702 -3.362) 6.743 3.799 ( -2.141 8.834 -5.112) 10.429 4.025 ( 4.787 4.624 4.244) 7.894 4.192 ( 2.523 0.478 0.249) 2.580 4.282 ( -0.116 -1.577 3.090) 3.471 4.455 ( -1.587 -4.711 -2.628) 5.623 4.552 ( -6.055 -9.180 1.031) 11.045 4.650 ( 1.670 -3.975 -3.975) 5.864 4.836 ( 2.577 4.067 6.052) 7.734 4.995 ( 5.640 1.442 -7.719) 9.668 5.140 ( -4.681 3.604 5.771) 8.259 5.351 ( -2.474 -2.661 5.359) 6.475 5.415 ( 4.001 5.179 2.191) 6.901 5.618 ( -1.621 -2.793 0.049) 3.230 5.733 ( 0.317 -2.724 -0.161) 2.747 5.839 ( 1.616 -3.807 -0.263) 4.144 6.085 ( 8.968 4.681 -3.042) 10.564 6.305 ( 4.898 -1.148 1.603) 5.280 6.778 ( -3.931 -2.180 2.135) 4.976 6.820 ( 1.758 -2.381 -4.989) 5.801 7.801 ( 6.597 -0.111 -2.456) 7.041 7.985 ( 0.579 -7.678 -1.464) 7.838 12.256 ( 0.813 0.954 0.643) 1.409 12.278 ( 1.124 1.497 -0.389) 1.912 12.334 ( -1.056 -1.054 1.803) 2.341 12.395 ( 0.006 -1.970 -1.230) 2.322 12.539 ( 1.087 1.560 1.098) 2.196 12.583 ( 0.446 0.128 -0.551) 0.720 13.547 ( -1.195 1.685 1.176) 2.377 13.639 ( 1.143 -0.369 -3.981) 4.158 15.904 ( -2.238 1.837 3.155) 4.282 15.978 ( 1.360 0.077 -0.832) 1.596 16.607 ( -0.438 0.775 0.255) 0.926 16.644 ( -0.541 -0.251 -0.856) 1.044 16.852 ( -0.353 1.073 -0.903) 1.446 16.887 ( -0.313 0.516 -1.365) 1.493 17.001 ( 0.383 1.701 -0.374) 1.783 17.064 ( -0.053 0.530 -1.523) 1.613 17.793 ( 1.458 0.932 2.086) 2.710 17.897 ( 0.486 -1.790 0.317) 1.882 17.934 ( 0.454 1.655 -0.446) 1.773 17.979 ( -0.464 0.080 0.470) 0.665 24.916 ( 0.475 1.405 -0.518) 1.571 24.932 ( 1.796 0.987 0.382) 2.084 25.346 ( 0.017 3.825 -4.305) 5.758 25.395 ( 1.909 2.104 -6.206) 6.826 28.262 ( 0.647 -0.041 0.049) 0.650 28.279 ( -0.099 -0.390 0.370) 0.547 28.415 ( 0.436 1.288 0.430) 1.426 28.450 ( -0.585 0.843 0.385) 1.096 28.786 ( -0.251 1.077 3.337) 3.516 28.947 ( 0.857 -2.961 -1.440) 3.402 30.723 ( -2.571 3.145 0.849) 4.149 30.930 ( -4.914 -3.247 -4.323) 7.306 33.456 ( -0.290 -1.557 14.625) 14.711 33.613 ( 3.322 -11.288 25.575) 28.152 34.229 ( 10.533 7.479 -14.255) 19.238 34.834 ( 15.154 -10.303 -17.286) 25.191 35.712 ( 2.439 1.031 2.181) 3.431 35.839 ( 0.919 -2.668 2.306) 3.644 36.295 ( 0.457 9.589 0.880) 9.640 36.589 ( -7.443 1.558 1.739) 7.800 39.386 ( -4.295 2.989 2.710) 5.892 39.639 ( -9.558 -7.169 -5.545) 13.172 40.795 ( -5.439 0.546 2.313) 5.936 40.859 ( -0.798 -0.876 -2.621) 2.876 76.629 ( -0.440 2.402 3.096) 3.943 76.745 ( 1.023 -0.206 -0.821) 1.328 80.037 ( 10.729 25.831 -7.607) 28.986 80.698 ( -0.669 7.154 -26.234) 27.200 ======================= Grid point 187 (102/136) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -2.232 13.605 7.909) 15.894 1.595 ( -2.753 11.626 6.231) 13.475 1.782 ( 4.556 -8.229 -0.180) 9.408 1.907 ( -3.849 -10.137 -2.809) 11.201 2.044 ( 2.697 7.514 -7.065) 10.661 2.137 ( -3.281 -2.200 -8.698) 9.553 2.323 ( 4.822 0.375 10.024) 11.130 2.399 ( 6.397 -9.487 3.611) 11.998 2.840 ( -3.688 -0.505 -1.187) 3.907 2.852 ( -3.895 -1.546 -1.378) 4.412 3.087 ( -3.060 4.024 3.379) 6.080 3.125 ( -3.635 -0.282 3.952) 5.377 3.218 ( 3.339 2.449 -1.366) 4.360 3.241 ( 1.859 0.145 -0.686) 1.987 3.795 ( 1.226 11.642 0.372) 11.713 3.959 ( 1.962 9.579 -5.807) 11.372 4.101 ( -1.346 -7.563 0.160) 7.684 4.193 ( 1.773 -0.032 3.945) 4.325 4.251 ( -1.772 -2.527 -0.190) 3.092 4.285 ( -1.655 -7.675 -0.039) 7.851 4.436 ( 0.743 4.604 -4.092) 6.204 4.549 ( 3.649 -6.514 -7.063) 10.278 4.945 ( -8.725 7.565 6.533) 13.268 5.102 ( -8.367 -8.160 6.366) 13.309 5.188 ( 7.299 3.950 -0.851) 8.343 5.249 ( 3.558 -2.350 3.038) 5.236 5.558 ( 1.113 2.693 0.396) 2.941 5.593 ( 2.665 -1.245 -1.136) 3.153 5.738 ( 1.840 2.771 2.048) 3.906 5.809 ( 1.772 -3.301 0.505) 3.780 6.208 ( -1.178 4.146 -1.955) 4.732 6.292 ( -0.422 -4.351 -3.746) 5.757 6.712 ( -2.614 0.931 0.529) 2.825 6.750 ( -0.368 -3.193 -1.315) 3.473 7.843 ( 0.691 0.033 -2.671) 2.759 7.875 ( 1.757 -3.461 -3.659) 5.334 12.285 ( -0.514 1.476 1.015) 1.863 12.308 ( -0.239 -0.275 0.512) 0.628 12.325 ( 0.132 0.815 -0.156) 0.840 12.356 ( 0.567 -1.924 -0.923) 2.208 12.582 ( 0.330 0.782 0.540) 1.006 12.589 ( 0.094 0.022 0.030) 0.101 13.571 ( -0.848 2.236 0.336) 2.415 13.610 ( 0.176 -1.714 -1.712) 2.429 15.935 ( -1.051 2.202 2.508) 3.499 15.971 ( -0.200 -1.621 1.137) 1.990 16.619 ( -0.113 0.661 -0.176) 0.693 16.629 ( 0.179 -0.438 -0.609) 0.771 16.858 ( -1.197 1.679 -0.201) 2.072 16.880 ( 0.259 -0.552 -0.892) 1.080 17.034 ( 0.528 1.154 -1.059) 1.653 17.050 ( 0.194 -0.572 -1.408) 1.533 17.846 ( 0.802 0.974 1.328) 1.832 17.869 ( -0.069 -1.395 0.221) 1.414 17.949 ( -0.644 0.678 0.188) 0.954 17.961 ( -0.461 -0.554 -0.151) 0.736 24.927 ( -1.568 1.789 1.849) 3.013 24.960 ( 0.334 -1.691 0.987) 1.986 25.378 ( 0.423 3.266 -6.296) 7.106 25.409 ( 1.898 -0.171 -6.215) 6.500 28.268 ( -0.072 0.066 0.144) 0.174 28.272 ( 0.195 -0.382 -0.038) 0.431 28.450 ( 0.261 1.274 0.941) 1.605 28.464 ( 0.649 -0.155 0.532) 0.853 28.828 ( -0.497 1.886 1.757) 2.625 28.877 ( -0.565 -3.167 -0.462) 3.250 30.752 ( -0.963 2.588 0.264) 2.774 30.796 ( -1.450 -1.938 -1.818) 3.027 33.563 ( -2.048 2.210 18.295) 18.542 33.634 ( -2.040 -5.640 20.940) 21.782 34.404 ( 1.945 8.465 -15.892) 18.111 34.574 ( -1.259 -9.330 -18.820) 21.043 35.807 ( 1.780 0.823 2.256) 2.990 35.842 ( 2.451 -2.805 0.768) 3.803 36.459 ( -0.376 4.313 1.763) 4.675 36.518 ( 2.835 -1.809 -0.904) 3.483 39.415 ( -0.627 2.275 1.306) 2.697 39.451 ( -1.462 -1.602 -0.297) 2.189 40.778 ( -1.224 2.146 0.713) 2.572 40.816 ( 0.298 -1.769 -0.995) 2.051 76.686 ( -1.081 2.926 2.714) 4.135 76.735 ( 0.367 -2.218 0.909) 2.425 80.482 ( 2.587 11.759 -10.436) 15.934 80.579 ( -3.874 2.280 -16.188) 16.800 ======================= Grid point 188 (103/136) ======================= q-point: ( 0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -3.249 12.296 6.986) 14.510 1.621 ( -0.049 4.851 6.209) 7.879 1.828 ( 2.952 -5.413 -1.675) 6.389 1.935 ( 2.652 -8.078 3.034) 9.027 1.992 ( 0.404 7.258 -10.920) 13.119 2.089 ( 4.209 -3.289 -4.472) 6.967 2.473 ( 6.792 -2.706 0.607) 7.337 2.503 ( 4.095 -6.794 -0.620) 7.957 2.799 ( -1.183 0.587 2.327) 2.676 2.826 ( 0.769 -1.533 3.151) 3.588 3.061 ( -2.485 6.263 3.506) 7.595 3.125 ( 0.110 -1.498 4.421) 4.669 3.255 ( 1.485 2.003 -1.393) 2.856 3.266 ( 1.937 0.610 -2.249) 3.030 3.845 ( 2.097 12.335 1.148) 12.565 3.919 ( 0.457 14.993 -5.950) 16.137 4.099 ( -0.527 -11.907 2.483) 12.174 4.157 ( -4.536 -7.413 -3.091) 9.224 4.240 ( 0.109 1.816 4.448) 4.806 4.326 ( 0.518 -5.154 5.122) 7.285 4.442 ( 4.734 6.585 -5.682) 9.903 4.574 ( 5.034 -7.232 -8.158) 12.009 4.798 ( -10.812 5.844 4.909) 13.234 4.943 ( -12.361 -8.578 5.717) 16.095 5.309 ( 4.659 3.048 -1.945) 5.897 5.361 ( 5.099 -2.487 2.231) 6.096 5.588 ( 2.749 2.606 -0.458) 3.816 5.630 ( 1.958 -1.755 -0.695) 2.720 5.766 ( -0.547 3.618 1.076) 3.814 5.803 ( -0.957 0.372 -2.468) 2.673 6.138 ( -6.241 1.256 1.297) 6.496 6.201 ( -6.152 -5.352 -2.569) 8.549 6.679 ( -1.147 2.459 0.616) 2.783 6.745 ( 0.597 -4.508 -0.814) 4.620 7.804 ( -2.355 1.971 -2.514) 3.969 7.871 ( -0.093 -4.888 -2.581) 5.529 12.277 ( -1.143 1.392 0.834) 1.985 12.295 ( -1.450 0.145 0.228) 1.475 12.328 ( 0.153 0.727 0.178) 0.764 12.360 ( 0.671 -2.125 -0.868) 2.391 12.582 ( -0.550 0.517 -0.009) 0.755 12.584 ( -0.485 0.312 -0.050) 0.579 13.559 ( -0.937 2.585 0.692) 2.835 13.602 ( 0.145 -1.901 -1.028) 2.166 15.936 ( -0.676 2.530 2.258) 3.458 15.976 ( 0.040 -1.715 0.905) 1.940 16.619 ( 0.308 0.782 -0.015) 0.841 16.633 ( 0.602 -0.684 -0.398) 0.995 16.836 ( -1.116 2.861 0.333) 3.089 16.883 ( 0.421 -1.912 -0.233) 1.971 17.033 ( 0.267 1.103 -1.107) 1.585 17.048 ( 0.558 -0.423 -1.046) 1.258 17.858 ( -0.725 0.291 -0.284) 0.831 17.865 ( 0.162 -0.515 0.798) 0.963 17.939 ( -0.547 1.285 0.339) 1.437 17.964 ( 0.493 -1.244 0.434) 1.406 24.903 ( -2.440 3.105 1.606) 4.263 24.963 ( -0.838 -3.261 1.060) 3.529 25.342 ( 0.110 4.707 -4.331) 6.397 25.399 ( 1.501 -1.315 -4.992) 5.376 28.265 ( -0.143 0.391 -0.045) 0.419 28.275 ( 0.139 -0.637 -0.077) 0.656 28.462 ( 0.480 1.647 0.396) 1.761 28.481 ( 0.897 -0.254 -0.163) 0.947 28.828 ( -1.017 0.852 1.958) 2.365 28.861 ( -0.865 -2.415 -0.248) 2.577 30.760 ( 1.293 2.515 1.007) 3.002 30.798 ( 2.372 -1.360 -0.032) 2.734 33.614 ( -7.332 3.267 17.712) 19.446 33.690 ( -7.671 -4.885 18.194) 20.341 34.256 ( -5.699 5.067 -14.560) 16.436 34.369 ( -6.107 -7.078 -16.091) 18.609 35.807 ( -1.299 1.728 -0.739) 2.285 35.858 ( -0.088 -3.647 -1.331) 3.883 36.488 ( 3.746 8.945 0.612) 9.717 36.631 ( 7.612 -6.029 -0.463) 9.721 39.442 ( 2.494 1.980 1.766) 3.642 39.485 ( 4.823 -2.362 -0.457) 5.390 40.781 ( 0.650 2.991 1.116) 3.257 40.836 ( 2.360 -2.690 -0.456) 3.607 76.680 ( -1.580 3.944 2.249) 4.808 76.746 ( 0.134 -3.096 0.884) 3.223 80.354 ( -8.320 10.957 -7.795) 15.812 80.430 ( -2.876 3.367 -7.470) 8.684 ======================= Grid point 189 (104/136) ======================= q-point: ( 0.18 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 2.184 8.039 -1.365) 8.441 1.650 ( 2.278 -6.605 -3.103) 7.645 1.879 ( 0.703 6.876 0.024) 6.911 1.957 ( 6.247 3.588 4.798) 8.656 2.031 ( 4.620 1.187 -5.008) 6.916 2.195 ( 7.836 -10.496 1.851) 13.229 2.535 ( 2.121 -3.270 -5.188) 6.489 2.548 ( 4.463 -4.385 -5.611) 8.405 2.861 ( 2.962 3.521 8.042) 9.265 2.918 ( 3.835 -1.856 7.919) 8.992 3.053 ( 0.088 9.173 0.934) 9.221 3.177 ( 2.362 -3.730 2.540) 5.093 3.251 ( -0.634 1.631 -1.890) 2.576 3.274 ( 1.277 -0.968 -2.081) 2.626 3.812 ( -2.513 11.888 -2.530) 12.412 3.970 ( 2.317 7.589 2.769) 8.404 4.044 ( -3.473 -10.340 -2.392) 11.167 4.091 ( -4.519 -3.508 3.278) 6.593 4.265 ( -0.455 5.712 3.820) 6.886 4.366 ( 0.473 -4.183 4.336) 6.044 4.517 ( 4.898 4.575 -2.846) 7.281 4.583 ( 0.432 -0.413 -5.264) 5.298 4.693 ( 0.608 -4.894 -1.867) 5.273 4.767 ( -10.678 -8.225 3.934) 14.041 5.298 ( -3.015 7.428 -4.025) 8.970 5.421 ( 0.288 -4.485 -1.094) 4.626 5.627 ( -0.744 0.755 0.759) 1.303 5.635 ( -1.575 -0.039 -0.267) 1.598 5.738 ( 0.345 3.056 -1.973) 3.654 5.796 ( 1.560 -2.201 -1.099) 2.913 5.996 ( -8.684 2.719 -0.100) 9.101 6.080 ( -7.072 -5.541 2.214) 9.253 6.685 ( 1.276 2.869 0.563) 3.190 6.757 ( 1.463 -4.640 -0.958) 4.958 7.734 ( -3.524 4.122 -1.711) 5.686 7.832 ( -2.642 -5.991 -1.065) 6.633 12.254 ( -1.989 0.956 0.490) 2.260 12.263 ( -2.134 0.437 -0.034) 2.178 12.335 ( 0.381 0.970 0.545) 1.176 12.370 ( 1.007 -2.337 -0.653) 2.628 12.565 ( -0.972 0.680 -0.575) 1.318 12.571 ( -0.962 0.141 -0.113) 0.979 13.549 ( -0.883 3.010 1.141) 3.338 13.601 ( 0.236 -2.417 -0.293) 2.446 15.944 ( -0.064 2.903 1.657) 3.344 15.988 ( 0.649 -1.789 0.515) 1.972 16.630 ( 0.745 0.666 0.210) 1.021 16.643 ( 0.628 -0.611 -0.254) 0.912 16.825 ( -0.687 3.052 1.049) 3.299 16.886 ( -0.234 -3.036 0.154) 3.049 17.030 ( 0.274 1.531 -0.938) 1.816 17.051 ( 0.378 -0.577 -0.654) 0.951 17.839 ( -0.751 1.301 -0.753) 1.680 17.866 ( -0.568 -1.382 0.172) 1.504 17.935 ( -0.239 2.280 0.480) 2.342 17.977 ( 0.375 -1.876 0.487) 1.974 24.868 ( -2.480 4.031 1.370) 4.926 24.948 ( -1.491 -4.427 0.832) 4.745 25.321 ( 0.102 5.084 -2.186) 5.535 25.390 ( 0.857 -2.099 -3.395) 4.083 28.264 ( 0.220 0.608 -0.249) 0.693 28.276 ( 0.174 -0.637 -0.213) 0.694 28.470 ( 0.294 1.792 -0.171) 1.824 28.491 ( 0.456 -0.316 -0.426) 0.699 28.819 ( -1.382 0.646 1.599) 2.210 28.845 ( -0.900 -1.966 0.367) 2.193 30.808 ( 2.720 3.421 1.584) 4.649 30.862 ( 3.502 -2.047 1.589) 4.356 33.549 ( -12.695 4.584 14.866) 20.079 33.633 ( -11.506 -4.355 14.865) 19.296 34.027 ( -7.080 4.045 -14.134) 16.317 34.133 ( -8.696 -7.531 -12.738) 17.163 35.796 ( 1.868 2.618 -1.764) 3.668 35.857 ( 2.240 -3.894 -1.999) 4.917 36.583 ( 5.775 10.419 0.096) 11.913 36.744 ( 5.189 -6.233 -0.405) 8.120 39.521 ( 4.326 2.130 2.071) 5.248 39.588 ( 6.856 -4.711 -1.400) 8.435 40.812 ( 1.481 3.663 1.673) 4.290 40.884 ( 2.864 -3.754 0.080) 4.723 76.664 ( -1.639 4.976 1.640) 5.489 76.750 ( -0.404 -4.088 0.725) 4.172 80.170 ( -7.962 12.843 -1.763) 15.214 80.310 ( -6.605 -1.369 -1.992) 7.033 ======================= Grid point 190 (105/136) ======================= q-point: ( 0.27 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 8.228 7.717 -9.292) 14.616 1.683 ( 7.367 -5.048 -8.677) 12.452 1.965 ( 5.332 2.962 4.386) 7.513 2.072 ( 5.221 -5.503 0.639) 7.612 2.134 ( 6.264 11.500 2.270) 13.290 2.335 ( 5.997 -9.731 1.045) 11.478 2.559 ( 4.719 -0.764 -1.443) 4.993 2.606 ( 5.295 -5.371 -0.650) 7.570 2.921 ( -2.454 5.487 -0.076) 6.011 2.992 ( -1.330 -1.851 2.131) 3.121 3.101 ( 3.538 7.164 3.311) 8.648 3.192 ( -1.437 -0.688 -0.186) 1.604 3.261 ( 3.004 1.394 1.716) 3.729 3.320 ( 4.389 -4.178 2.159) 6.433 3.740 ( -4.873 10.383 -0.280) 11.473 3.931 ( -2.867 -6.830 -2.441) 7.799 4.017 ( -5.304 0.986 3.058) 6.201 4.056 ( 0.703 -2.223 3.553) 4.250 4.290 ( -0.121 6.282 3.494) 7.190 4.382 ( -1.441 -3.045 1.147) 3.559 4.461 ( -5.327 5.663 1.313) 7.884 4.594 ( -5.611 -6.966 -1.239) 9.030 4.684 ( 6.327 -1.409 -1.649) 6.689 4.758 ( 6.563 -8.626 -3.944) 11.534 5.180 ( -5.362 9.173 -4.735) 11.632 5.351 ( -5.142 -7.671 -4.703) 10.364 5.555 ( -6.213 1.773 1.883) 6.730 5.583 ( -5.131 -1.206 1.236) 5.414 5.745 ( -0.154 2.806 -0.429) 2.842 5.801 ( -1.223 -2.327 -0.372) 2.655 5.910 ( -0.210 3.696 0.557) 3.744 5.989 ( -3.299 -4.275 0.097) 5.401 6.723 ( 2.158 2.444 0.469) 3.294 6.781 ( 1.661 -3.535 -0.629) 3.956 7.661 ( -3.306 5.096 -0.843) 6.133 7.767 ( -3.963 -5.816 -0.177) 7.040 12.217 ( -2.219 0.694 0.184) 2.332 12.223 ( -2.136 0.243 -0.156) 2.156 12.349 ( 0.608 1.228 0.801) 1.587 12.385 ( 1.112 -2.402 -0.401) 2.677 12.543 ( -0.861 0.770 -0.758) 1.382 12.551 ( -1.097 0.027 -0.187) 1.113 13.544 ( -0.739 3.343 1.519) 3.745 13.605 ( 0.230 -3.046 0.087) 3.056 15.958 ( 0.535 3.207 1.066) 3.422 16.006 ( 1.052 -1.896 0.058) 2.169 16.645 ( 0.648 0.310 0.067) 0.721 16.651 ( 0.389 -0.280 -0.038) 0.481 16.822 ( -0.637 2.403 1.315) 2.812 16.876 ( -0.930 -2.917 0.086) 3.063 17.029 ( 0.246 1.644 -0.532) 1.745 17.052 ( 0.165 -0.675 -0.284) 0.750 17.820 ( -0.741 1.498 -0.927) 1.911 17.847 ( -1.466 -1.143 -0.237) 1.874 17.936 ( 0.087 2.617 0.194) 2.625 17.984 ( 0.237 -2.185 0.045) 2.198 24.838 ( -1.892 4.246 1.355) 4.842 24.925 ( -1.568 -4.909 0.494) 5.177 25.311 ( 0.015 4.670 -0.890) 4.754 25.379 ( 0.266 -2.336 -2.327) 3.308 28.270 ( 0.628 0.579 -0.340) 0.920 28.279 ( 0.326 -0.350 -0.279) 0.554 28.470 ( -0.063 1.678 -0.389) 1.724 28.491 ( -0.150 -0.448 -0.351) 0.589 28.806 ( -1.275 1.034 1.413) 2.166 28.833 ( -0.834 -1.716 0.511) 1.975 30.867 ( 2.250 3.830 1.922) 4.840 30.930 ( 2.324 -2.522 1.985) 3.963 33.404 ( -13.545 5.554 12.025) 18.945 33.509 ( -13.128 -5.364 12.759) 19.077 33.825 ( -4.296 2.225 -12.618) 13.513 33.890 ( -7.421 -4.787 -12.487) 15.294 35.851 ( 4.851 3.038 -0.482) 5.745 35.918 ( 5.393 -4.047 -0.885) 6.800 36.677 ( 4.835 9.075 -0.902) 10.322 36.811 ( 2.829 -4.546 -0.809) 5.415 39.612 ( 3.745 2.180 2.103) 4.817 39.693 ( 6.027 -6.110 -2.183) 8.855 40.850 ( 1.206 3.793 2.010) 4.459 40.930 ( 1.950 -4.388 0.286) 4.811 76.647 ( -1.308 5.369 1.119) 5.639 76.741 ( -1.101 -4.498 0.372) 4.645 80.044 ( -6.235 10.588 1.688) 12.403 80.175 ( -7.508 -2.665 0.512) 7.983 ======================= Grid point 191 (106/136) ======================= q-point: ( 0.36 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 14.896 7.452 -7.587) 18.302 1.810 ( 13.050 -3.035 -6.930) 15.084 2.059 ( 2.016 2.114 0.705) 3.005 2.164 ( 4.651 -5.886 -1.930) 7.746 2.260 ( 6.026 11.029 4.643) 13.398 2.455 ( 6.554 -9.766 3.681) 12.324 2.662 ( 2.992 0.197 3.474) 4.589 2.696 ( -0.036 -1.492 1.650) 2.225 2.806 ( -3.583 2.607 -4.402) 6.246 2.877 ( -6.996 -3.539 -5.732) 9.713 3.178 ( 0.384 2.954 2.579) 3.940 3.207 ( 1.334 0.320 3.200) 3.482 3.329 ( 1.757 4.094 2.299) 5.014 3.414 ( 1.841 -4.449 3.530) 5.970 3.645 ( -3.994 11.612 -0.086) 12.280 3.877 ( -0.976 -11.908 -1.291) 12.018 3.963 ( -2.389 5.624 0.487) 6.130 4.095 ( 1.529 -6.947 1.795) 7.336 4.274 ( -4.149 6.932 2.592) 8.485 4.351 ( -1.828 -1.331 -0.673) 2.359 4.403 ( -1.885 2.896 0.378) 3.476 4.488 ( -3.856 -4.481 -0.221) 5.915 4.785 ( 4.874 -1.337 -1.634) 5.311 4.845 ( 4.493 -7.115 -1.926) 8.632 5.069 ( -3.402 6.293 -3.520) 7.973 5.211 ( -5.373 -7.487 -5.723) 10.848 5.458 ( -5.986 1.301 3.057) 6.846 5.484 ( -6.330 -1.419 2.462) 6.939 5.743 ( 0.419 3.037 0.843) 3.180 5.789 ( 0.538 -1.557 0.238) 1.664 5.927 ( 0.915 1.826 -0.322) 2.067 5.964 ( 0.167 -2.068 -1.703) 2.684 6.760 ( 1.472 1.968 0.314) 2.477 6.800 ( 0.660 -2.108 -0.224) 2.221 7.610 ( -1.736 4.522 -0.349) 4.856 7.696 ( -3.671 -4.344 -0.127) 5.689 12.183 ( -1.626 0.435 0.055) 1.684 12.187 ( -1.581 0.061 -0.280) 1.607 12.366 ( 0.538 1.263 1.011) 1.704 12.401 ( 0.900 -2.282 -0.250) 2.466 12.526 ( -0.458 0.652 -0.727) 1.078 12.531 ( -0.919 0.149 -0.227) 0.958 13.544 ( -0.521 3.348 1.762) 3.819 13.609 ( 0.082 -3.360 0.037) 3.361 15.976 ( 0.643 3.171 0.683) 3.307 16.022 ( 0.787 -1.776 -0.408) 1.985 16.652 ( 0.333 0.081 -0.223) 0.409 16.656 ( 0.096 -0.229 0.211) 0.326 16.820 ( -0.664 1.649 1.121) 2.102 16.857 ( -1.030 -2.091 -0.054) 2.332 17.032 ( 0.281 1.514 -0.137) 1.546 17.053 ( 0.027 -0.651 -0.062) 0.654 17.801 ( -0.666 1.030 -0.870) 1.504 17.815 ( -1.669 -0.323 -0.358) 1.737 17.942 ( 0.431 2.363 -0.056) 2.403 17.986 ( 0.160 -2.084 -0.540) 2.159 24.821 ( -1.079 3.783 1.492) 4.207 24.901 ( -1.288 -4.598 0.113) 4.776 25.308 ( 0.109 3.886 -0.304) 3.900 25.367 ( 0.130 -2.170 -1.879) 2.873 28.281 ( 0.839 0.377 -0.298) 0.966 28.284 ( 0.422 0.082 -0.192) 0.471 28.464 ( -0.304 1.304 -0.348) 1.384 28.481 ( -0.691 -0.485 -0.235) 0.876 28.795 ( -0.980 1.462 1.389) 2.242 28.824 ( -0.490 -1.462 0.280) 1.568 30.911 ( 1.054 3.437 1.957) 4.093 30.968 ( 0.599 -2.413 1.475) 2.891 33.260 ( -11.081 5.125 10.176) 15.893 33.364 ( -12.187 -5.717 11.013) 17.392 33.692 ( -1.031 0.847 -11.477) 11.555 33.719 ( -1.433 -1.913 -11.217) 11.469 35.947 ( 5.096 3.552 1.222) 6.331 36.018 ( 5.397 -4.002 0.453) 6.734 36.738 ( 3.006 6.867 -1.845) 7.720 36.834 ( 0.613 -2.800 -1.510) 3.239 39.679 ( 2.118 2.261 1.939) 3.655 39.768 ( 4.225 -6.696 -2.634) 8.344 40.881 ( 0.555 3.304 2.082) 3.945 40.955 ( 0.715 -4.321 0.134) 4.382 76.636 ( -0.719 4.717 0.890) 4.854 76.717 ( -1.634 -3.842 0.003) 4.175 79.968 ( -4.182 7.426 2.990) 9.032 80.062 ( -5.122 -2.096 0.400) 5.549 ======================= Grid point 192 (107/136) ======================= q-point: ( 0.45 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 15.781 6.263 -3.802) 17.399 2.023 ( 9.197 5.006 -0.340) 10.477 2.056 ( 1.343 -1.733 -1.667) 2.755 2.202 ( 1.424 -8.005 -2.206) 8.425 2.406 ( 3.639 9.695 2.451) 10.641 2.520 ( -11.317 -1.065 -4.511) 12.229 2.555 ( -8.090 0.447 -2.700) 8.541 2.617 ( 4.836 -7.259 7.248) 11.341 2.829 ( 0.263 -1.241 2.457) 2.766 2.854 ( 1.519 -3.441 2.886) 4.741 3.144 ( -4.197 3.833 0.857) 5.748 3.210 ( -2.044 -2.638 0.318) 3.353 3.330 ( -1.186 3.404 -1.362) 3.854 3.405 ( -2.541 -3.822 -1.404) 4.800 3.659 ( 3.483 12.422 3.144) 13.278 3.888 ( -0.064 -5.334 -0.639) 5.373 3.934 ( 1.266 0.421 -0.520) 1.432 4.106 ( -1.057 -10.990 -1.963) 11.214 4.245 ( -0.124 6.719 3.392) 7.527 4.313 ( -0.364 -0.200 -0.641) 0.764 4.404 ( 2.097 2.804 -1.710) 3.897 4.459 ( 0.152 -1.517 -0.263) 1.547 4.817 ( -3.099 0.495 2.334) 3.911 4.859 ( -2.647 -4.963 1.682) 5.871 5.007 ( -0.473 1.298 -3.783) 4.027 5.105 ( 0.585 -6.977 -6.873) 9.811 5.408 ( -1.971 0.698 3.020) 3.673 5.432 ( -0.679 -1.848 1.456) 2.449 5.773 ( 1.631 3.308 1.953) 4.173 5.822 ( 2.209 -1.870 0.800) 3.003 5.926 ( -0.546 1.316 -1.224) 1.878 5.946 ( -0.846 -1.015 -2.048) 2.437 6.778 ( 0.289 1.311 0.511) 1.436 6.800 ( -0.383 -0.961 -0.098) 1.039 7.598 ( 0.562 2.592 -0.131) 2.655 7.641 ( -1.978 -1.937 -0.583) 2.829 12.161 ( -0.780 0.342 0.044) 0.853 12.167 ( -0.355 -0.134 -0.378) 0.535 12.380 ( 0.092 1.154 1.159) 1.638 12.413 ( 0.468 -2.095 -0.197) 2.155 12.514 ( -0.499 0.672 -0.247) 0.872 12.519 ( 0.068 0.165 -0.707) 0.730 13.551 ( -0.242 2.904 1.896) 3.477 13.608 ( -0.021 -3.062 -0.258) 3.073 15.988 ( 0.152 2.661 0.613) 2.735 16.025 ( -0.009 -1.305 -0.700) 1.480 16.656 ( -0.039 -0.114 0.055) 0.132 16.657 ( 0.116 -0.240 -0.040) 0.269 16.816 ( -0.478 1.221 0.950) 1.619 16.842 ( -0.419 -1.322 -0.185) 1.399 17.038 ( 0.465 1.083 0.133) 1.186 17.052 ( -0.036 -0.317 -0.119) 0.341 17.785 ( -0.792 0.618 -0.348) 1.063 17.789 ( -0.561 0.162 -0.553) 0.804 17.950 ( 0.565 1.711 -0.077) 1.803 17.982 ( 0.026 -1.489 -0.995) 1.791 24.821 ( -0.283 2.836 1.690) 3.313 24.882 ( -0.733 -3.589 -0.272) 3.674 25.311 ( 0.453 3.047 -0.120) 3.083 25.359 ( 0.483 -1.783 -1.844) 2.610 28.290 ( 0.312 0.512 -0.063) 0.603 28.294 ( 0.717 0.140 -0.330) 0.802 28.456 ( -0.277 0.661 -0.130) 0.729 28.465 ( -0.908 -0.207 -0.147) 0.942 28.791 ( -0.599 1.725 1.355) 2.274 28.820 ( -0.064 -1.280 0.052) 1.283 30.936 ( 0.278 2.434 1.976) 3.148 30.977 ( -0.425 -1.690 0.806) 1.920 33.163 ( -7.552 4.073 9.345) 12.687 33.248 ( -8.708 -4.822 9.460) 13.732 33.628 ( 3.093 2.042 -10.473) 11.110 33.672 ( 4.227 -2.531 -9.696) 10.875 36.036 ( 2.979 3.476 2.351) 5.146 36.097 ( 2.454 -2.968 0.753) 3.924 36.761 ( 1.211 4.003 -1.847) 4.572 36.810 ( -1.799 -0.865 -1.983) 2.814 39.714 ( 0.314 2.457 1.737) 3.025 39.807 ( 2.450 -7.001 -2.874) 7.955 40.901 ( 0.037 2.359 2.095) 3.156 40.960 ( -0.088 -3.665 -0.150) 3.670 76.635 ( -0.215 3.166 1.093) 3.356 76.686 ( -1.579 -2.251 -0.246) 2.761 79.936 ( -1.968 6.034 3.266) 7.138 80.012 ( 0.180 -1.987 -0.872) 2.177 ======================= Grid point 193 (108/136) ======================= q-point: (-0.45 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -13.222 10.943 -3.243) 17.467 2.102 ( -0.499 -7.692 -3.570) 8.495 2.175 ( -3.741 1.852 -2.070) 4.659 2.234 ( 5.268 -2.123 4.211) 7.071 2.267 ( -4.133 -1.228 -2.442) 4.955 2.290 ( -4.475 -3.286 -5.897) 8.100 2.643 ( 3.015 3.683 10.055) 11.125 2.710 ( -3.955 -2.791 6.221) 7.883 2.779 ( -1.860 1.556 -1.591) 2.900 2.827 ( -3.245 -3.467 0.247) 4.755 3.142 ( 2.491 4.784 2.734) 6.047 3.229 ( 3.773 -3.049 0.129) 4.853 3.289 ( -1.367 2.907 -0.997) 3.364 3.367 ( 1.105 -3.864 -2.056) 4.515 3.735 ( 0.498 10.324 3.095) 10.790 3.849 ( 0.545 6.740 -3.806) 7.760 3.974 ( -0.745 -9.938 1.935) 10.152 4.061 ( -0.499 -10.469 -2.178) 10.705 4.285 ( 0.323 5.981 2.579) 6.521 4.341 ( 2.934 1.379 0.169) 3.247 4.451 ( 5.503 1.703 -3.618) 6.802 4.475 ( 2.744 0.602 -2.624) 3.844 4.714 ( -8.623 -0.602 3.263) 9.239 4.779 ( -6.437 -5.943 4.106) 9.675 5.041 ( 7.262 2.300 -4.727) 8.965 5.143 ( 6.193 -7.212 -4.634) 10.576 5.418 ( 0.990 1.569 1.984) 2.717 5.464 ( 2.823 -3.339 0.507) 4.401 5.813 ( 0.545 3.706 2.187) 4.338 5.860 ( 1.148 -1.444 0.553) 1.926 5.888 ( -2.483 0.906 -1.478) 3.028 5.908 ( -1.581 -1.387 -1.720) 2.717 6.783 ( -0.018 0.682 0.484) 0.837 6.793 ( -0.122 -0.563 -0.060) 0.580 7.618 ( 0.430 0.923 -0.753) 1.266 7.630 ( 2.508 -0.254 -0.212) 2.530 12.158 ( 0.391 0.604 0.051) 0.721 12.169 ( 0.870 -0.430 -0.339) 1.028 12.384 ( -0.607 0.957 1.114) 1.589 12.413 ( -0.254 -1.922 -0.301) 1.962 12.509 ( 0.142 1.097 -0.252) 1.134 12.521 ( 0.721 -0.258 -0.606) 0.976 13.563 ( 0.006 2.163 1.906) 2.883 13.606 ( 0.143 -2.263 -0.556) 2.335 15.989 ( -0.630 1.858 0.855) 2.140 16.013 ( -0.762 -0.660 -0.595) 1.171 16.651 ( -0.384 0.245 0.101) 0.466 16.660 ( 0.189 -0.680 -0.056) 0.708 16.817 ( -0.201 1.468 0.907) 1.738 16.843 ( 0.665 -1.186 -0.196) 1.374 17.047 ( 0.143 0.654 -0.052) 0.671 17.053 ( 0.509 0.055 -0.202) 0.550 17.771 ( -0.414 1.116 -0.038) 1.191 17.785 ( 0.371 -0.397 -0.334) 0.638 17.960 ( 0.552 0.828 0.037) 0.996 17.973 ( -0.056 -0.512 -1.156) 1.266 24.834 ( 0.294 1.766 1.810) 2.546 24.873 ( 0.075 -2.254 -0.525) 2.315 25.323 ( 0.998 2.367 -0.218) 2.578 25.359 ( 1.181 -1.287 -2.126) 2.752 28.292 ( -0.045 0.766 -0.185) 0.789 28.299 ( 0.198 -0.004 -0.492) 0.531 28.449 ( -0.676 0.435 0.091) 0.809 28.455 ( -0.017 -0.173 0.239) 0.296 28.793 ( -0.283 1.851 1.273) 2.265 28.823 ( 0.411 -1.281 -0.024) 1.345 30.951 ( -0.281 1.271 1.962) 2.354 30.971 ( -0.534 -0.640 0.559) 1.004 33.123 ( -4.542 3.507 9.280) 10.911 33.195 ( -4.744 -4.040 9.107) 11.035 33.654 ( 8.089 3.499 -9.946) 13.289 33.724 ( 9.229 -3.825 -9.364) 13.693 36.073 ( -0.956 2.317 2.063) 3.246 36.107 ( -1.568 -1.274 -0.253) 2.036 36.745 ( -3.793 1.952 -1.423) 4.497 36.760 ( -0.310 0.481 -0.530) 0.780 39.716 ( -1.472 2.907 1.542) 3.605 39.815 ( 0.861 -7.384 -2.992) 8.014 40.914 ( -0.380 1.234 2.170) 2.525 40.953 ( -0.450 -2.728 -0.379) 2.791 76.639 ( -0.607 1.797 1.422) 2.371 76.665 ( -0.328 -0.854 -0.045) 0.916 79.949 ( 1.570 7.872 2.073) 8.290 80.061 ( 6.184 -3.851 -1.607) 7.460 ======================= Grid point 194 (109/136) ======================= q-point: (-0.36 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -14.783 10.119 -3.429) 18.240 1.804 ( -17.342 -9.188 -6.241) 20.595 2.091 ( -5.473 0.824 -2.007) 5.888 2.181 ( -2.502 -6.042 -4.776) 8.098 2.297 ( -1.552 0.182 4.656) 4.911 2.326 ( -3.152 -3.240 7.669) 8.902 2.613 ( -3.256 4.293 -1.264) 5.534 2.654 ( -4.549 0.097 2.396) 5.142 2.784 ( 0.666 2.390 1.061) 2.698 2.836 ( 0.956 -3.053 0.341) 3.218 3.199 ( 0.083 2.054 2.957) 3.601 3.228 ( -3.010 -0.495 1.084) 3.237 3.358 ( 6.052 4.276 0.988) 7.476 3.423 ( 3.838 -2.328 1.524) 4.741 3.713 ( -0.102 10.114 -1.680) 10.253 3.900 ( 4.646 3.730 1.442) 6.130 3.924 ( -3.005 -8.158 -2.623) 9.081 4.068 ( 0.195 -9.399 1.952) 9.601 4.258 ( -4.922 6.558 2.608) 8.604 4.382 ( -0.215 -2.788 2.568) 3.796 4.509 ( -0.561 1.874 1.858) 2.698 4.526 ( 5.283 1.397 -4.262) 6.930 4.648 ( 4.633 2.979 -2.973) 6.260 4.770 ( 3.382 -7.981 0.900) 8.714 5.129 ( 4.885 1.634 -5.300) 7.391 5.203 ( 3.457 -5.656 -4.034) 7.759 5.474 ( 3.023 1.841 2.222) 4.180 5.529 ( 3.685 -3.900 0.766) 5.420 5.806 ( -3.162 2.807 -1.166) 4.386 5.825 ( -0.548 1.584 -1.104) 2.007 5.871 ( -2.005 -0.633 1.159) 2.401 5.895 ( 2.026 -1.964 1.367) 3.136 6.787 ( 0.619 0.220 -0.714) 0.970 6.799 ( 0.790 -0.782 -0.246) 1.138 7.633 ( 2.264 3.083 -1.230) 4.018 7.691 ( 3.984 -2.900 0.198) 4.932 12.176 ( 1.477 0.940 0.145) 1.756 12.191 ( 1.810 -0.537 -0.253) 1.905 12.375 ( -1.137 0.699 0.890) 1.604 12.401 ( -0.717 -1.777 -0.462) 1.971 12.515 ( 0.651 1.400 -0.240) 1.562 12.534 ( 1.034 -0.637 -0.435) 1.290 13.577 ( 0.063 1.559 1.603) 2.236 13.607 ( 0.542 -1.500 -0.731) 1.754 15.979 ( -1.262 1.237 1.101) 2.081 15.993 ( -1.097 -0.217 -0.013) 1.118 16.645 ( -0.453 0.621 0.138) 0.781 16.661 ( -0.098 -1.046 -0.044) 1.051 16.826 ( 0.534 1.999 0.945) 2.275 16.859 ( 1.099 -1.383 -0.192) 1.777 17.045 ( 0.061 1.253 -0.556) 1.372 17.064 ( 0.722 -0.561 -0.362) 0.983 17.770 ( 0.157 1.634 0.241) 1.659 17.796 ( 0.872 -1.073 0.107) 1.387 17.964 ( 0.011 0.679 -0.983) 1.195 17.971 ( 0.400 -0.069 0.152) 0.433 24.855 ( 0.645 1.193 1.379) 1.934 24.879 ( 0.893 -1.280 -0.145) 1.567 25.344 ( 1.683 1.946 -0.708) 2.669 25.371 ( 2.093 -0.767 -2.739) 3.531 28.285 ( -0.470 0.800 -0.454) 1.033 28.294 ( -0.332 -0.130 -0.597) 0.696 28.442 ( -0.345 1.078 0.377) 1.193 28.459 ( 0.065 -0.763 0.646) 1.002 28.799 ( -0.062 2.107 1.131) 2.392 28.835 ( 0.919 -1.661 0.042) 1.899 30.944 ( -1.582 1.916 0.821) 2.616 30.976 ( -0.051 -1.346 1.479) 2.001 33.133 ( -2.251 3.541 10.260) 11.085 33.204 ( -2.054 -3.830 9.739) 10.665 33.775 ( 13.454 4.813 -10.075) 17.484 33.867 ( 14.432 -4.850 -9.762) 18.086 36.020 ( -5.254 1.483 -0.805) 5.518 36.046 ( -4.753 -1.297 -0.646) 4.968 36.664 ( -4.684 5.439 0.407) 7.190 36.743 ( -1.909 -2.601 1.358) 3.501 39.684 ( -3.242 3.633 1.344) 5.051 39.794 ( -0.816 -7.955 -3.051) 8.559 40.917 ( -1.044 0.235 2.173) 2.422 40.939 ( -0.776 -1.820 -0.539) 2.051 76.634 ( -0.589 2.478 1.076) 2.765 76.674 ( 0.483 -1.561 1.208) 2.032 80.026 ( 6.136 11.937 0.150) 13.422 80.206 ( 11.711 -6.841 -3.064) 13.904 ======================= Grid point 195 (110/136) ======================= q-point: (-0.27 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.004 7.312 -0.286) 8.865 1.519 ( -7.864 -3.847 -5.866) 10.538 1.967 ( -7.704 2.526 2.077) 8.370 2.100 ( -3.831 -8.608 -1.230) 9.502 2.248 ( -5.864 0.194 2.697) 6.458 2.266 ( -6.450 -1.840 3.586) 7.606 2.503 ( -9.375 3.938 -1.456) 10.272 2.588 ( -5.215 -3.435 -0.835) 6.300 2.815 ( 3.005 4.250 0.377) 5.218 2.889 ( 4.913 -2.872 1.853) 5.985 3.166 ( -3.672 2.808 1.805) 4.963 3.194 ( -2.512 -0.295 2.210) 3.359 3.397 ( -3.436 4.062 -1.471) 5.520 3.450 ( -1.663 -0.983 0.333) 1.960 3.788 ( 6.886 5.835 -1.360) 9.127 3.872 ( 1.062 -1.821 -1.875) 2.821 3.985 ( 1.669 1.020 3.902) 4.365 4.073 ( -1.612 -3.739 2.376) 4.714 4.209 ( -1.660 3.852 3.572) 5.509 4.373 ( -1.791 -10.856 3.602) 11.577 4.513 ( -0.575 7.052 3.463) 7.877 4.587 ( 3.773 0.630 -2.608) 4.630 4.762 ( 8.540 2.739 -5.699) 10.626 4.860 ( 6.817 -7.504 -6.136) 11.850 5.147 ( 2.905 1.541 -3.664) 4.923 5.219 ( 1.827 -5.548 -2.240) 6.255 5.517 ( -1.033 3.451 3.251) 4.853 5.587 ( 1.151 -3.979 1.549) 4.422 5.735 ( -3.465 2.663 -0.436) 4.391 5.789 ( -3.714 -2.612 0.125) 4.542 5.904 ( 5.725 5.275 1.115) 7.864 5.989 ( 7.663 -3.340 0.555) 8.378 6.792 ( 0.691 0.055 -1.548) 1.696 6.810 ( 1.098 -1.327 -2.012) 2.648 7.679 ( 3.863 4.187 -1.581) 5.912 7.767 ( 4.153 -4.971 0.041) 6.478 12.210 ( 2.082 1.180 0.293) 2.411 12.227 ( 2.233 -0.401 -0.116) 2.272 12.358 ( -1.334 0.587 0.630) 1.587 12.383 ( -0.723 -1.873 -0.604) 2.096 12.527 ( 0.847 1.580 -0.072) 1.794 12.550 ( 1.042 -0.850 -0.296) 1.377 13.586 ( -0.046 1.490 0.931) 1.758 13.614 ( 0.799 -1.312 -0.902) 1.782 15.963 ( -1.427 1.066 1.343) 2.231 15.975 ( -1.072 -0.173 0.625) 1.253 16.637 ( -0.484 0.848 0.168) 0.991 16.657 ( -0.351 -1.088 -0.074) 1.145 16.848 ( 1.070 1.766 0.853) 2.234 16.875 ( 0.885 -1.107 -0.294) 1.447 17.042 ( 0.167 1.759 -0.914) 1.989 17.071 ( 0.500 -1.092 -0.866) 1.481 17.779 ( 0.542 2.075 0.620) 2.233 17.816 ( 1.083 -1.791 0.546) 2.163 17.959 ( 0.227 1.471 -0.690) 1.640 17.978 ( 0.126 -0.501 0.348) 0.623 24.878 ( 1.249 1.263 0.544) 1.857 24.899 ( 0.946 -0.943 0.794) 1.553 25.371 ( 2.335 1.822 -1.953) 3.548 25.393 ( 2.939 -0.376 -3.688) 4.731 28.272 ( -0.514 0.722 -0.487) 1.012 28.282 ( -0.487 -0.313 -0.461) 0.740 28.440 ( -0.305 1.464 0.625) 1.621 28.463 ( -0.314 -0.923 0.844) 1.289 28.807 ( 0.075 2.555 1.033) 2.757 28.855 ( 1.196 -2.419 0.054) 2.699 30.911 ( -2.626 3.577 0.347) 4.451 30.976 ( -1.085 -3.288 0.847) 3.565 33.192 ( -0.412 3.055 12.911) 13.274 33.257 ( -0.564 -3.508 11.258) 11.805 33.984 ( 17.826 6.190 -10.775) 21.730 34.098 ( 19.484 -5.710 -10.643) 22.924 35.899 ( -6.291 1.124 -2.381) 6.820 35.930 ( -6.970 -2.181 -1.324) 7.422 36.587 ( -4.963 8.017 2.137) 9.668 36.709 ( -3.655 -4.406 2.679) 6.321 39.620 ( -4.820 4.353 1.141) 6.594 39.740 ( -2.894 -8.390 -3.029) 9.378 40.904 ( -2.161 -0.238 1.725) 2.775 40.916 ( -1.395 -1.226 -0.589) 1.948 76.639 ( 0.141 3.135 1.431) 3.449 76.693 ( 0.287 -2.316 1.777) 2.933 80.165 ( 10.198 16.733 -2.932) 19.814 80.420 ( 15.371 -9.881 -6.450) 19.378 ======================= Grid point 196 (111/136) ======================= q-point: (-0.18 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 3.006 5.915 2.080) 6.953 1.454 ( 3.531 2.105 -4.027) 5.755 1.862 ( -6.215 4.480 3.832) 8.566 2.050 ( -1.449 -10.105 1.353) 10.298 2.156 ( -6.547 1.821 4.388) 8.090 2.191 ( -2.707 -1.217 1.005) 3.134 2.299 ( -10.572 5.250 -1.437) 11.891 2.437 ( -8.197 -7.979 -4.034) 12.129 2.900 ( 3.494 6.281 2.830) 7.725 2.984 ( 2.770 -2.068 1.799) 3.897 3.126 ( -2.134 4.310 0.543) 4.840 3.175 ( -1.610 -1.169 3.521) 4.044 3.282 ( -5.405 1.349 -3.376) 6.513 3.346 ( -7.551 -4.621 -3.433) 9.495 3.825 ( 0.103 6.608 -1.302) 6.736 3.939 ( 1.175 -2.068 1.873) 3.027 4.028 ( 2.957 4.788 2.957) 6.357 4.079 ( 0.938 -1.577 0.899) 2.043 4.232 ( 0.710 2.592 2.746) 3.842 4.387 ( 0.119 -11.429 1.938) 11.593 4.507 ( -1.580 4.664 -0.931) 5.012 4.599 ( -0.461 -3.633 -3.411) 5.005 4.847 ( 5.290 4.589 -2.097) 7.310 4.918 ( 7.266 -3.231 -8.389) 11.559 5.201 ( 2.824 1.493 -0.069) 3.195 5.266 ( 1.515 -4.040 4.518) 6.247 5.500 ( -2.390 5.647 3.388) 7.006 5.590 ( -1.931 -3.919 2.203) 4.893 5.687 ( -1.393 0.582 0.100) 1.513 5.731 ( -2.049 -3.745 0.854) 4.353 6.053 ( 9.698 6.063 -1.489) 11.534 6.146 ( 8.499 -3.437 0.241) 9.171 6.784 ( -0.328 -0.087 -1.669) 1.703 6.803 ( 0.361 -1.608 -3.527) 3.894 7.744 ( 4.844 3.618 -2.316) 6.475 7.832 ( 3.319 -5.652 -0.840) 6.608 12.250 ( 1.878 1.270 0.505) 2.322 12.266 ( 2.031 -0.175 0.073) 2.040 12.339 ( -1.151 0.646 0.440) 1.392 12.367 ( -0.513 -2.031 -0.822) 2.251 12.544 ( 0.998 1.532 0.308) 1.854 12.566 ( 0.941 -0.789 -0.100) 1.232 13.588 ( -0.270 1.728 0.412) 1.797 13.620 ( 0.714 -1.505 -1.410) 2.182 15.948 ( -1.466 1.243 1.868) 2.680 15.966 ( -0.576 -0.483 0.868) 1.148 16.630 ( -0.436 0.937 0.063) 1.036 16.648 ( -0.492 -0.881 -0.278) 1.046 16.869 ( 0.743 1.057 0.016) 1.292 16.885 ( 0.443 -0.611 -0.164) 0.773 17.038 ( 0.225 1.882 -1.193) 2.239 17.068 ( 0.155 -1.209 -1.318) 1.795 17.797 ( 0.774 2.243 0.980) 2.567 17.840 ( 0.938 -2.229 0.717) 2.522 17.961 ( 0.256 1.468 -0.327) 1.526 17.979 ( -0.243 -0.538 0.398) 0.712 24.908 ( 1.669 0.949 0.268) 1.939 24.920 ( 0.385 -0.427 1.444) 1.554 25.395 ( 2.627 1.936 -3.960) 5.132 25.416 ( 2.986 -0.166 -5.105) 5.916 28.263 ( -0.115 0.537 -0.250) 0.604 28.272 ( -0.253 -0.440 -0.134) 0.525 28.439 ( -0.380 1.479 0.847) 1.746 28.460 ( -0.691 -0.692 0.970) 1.378 28.815 ( 0.029 2.914 1.065) 3.102 28.875 ( 0.939 -3.209 -0.094) 3.345 30.855 ( -3.537 4.435 -0.196) 5.676 30.940 ( -3.036 -4.527 -0.832) 5.514 33.305 ( 0.956 1.249 16.504) 16.579 33.348 ( 0.491 -2.775 14.237) 14.514 34.229 ( 17.990 8.488 -12.795) 23.651 34.393 ( 21.679 -8.410 -12.563) 26.430 35.779 ( -4.798 1.126 -1.841) 5.261 35.812 ( -4.481 -2.195 -0.189) 4.993 36.515 ( -4.840 8.866 2.399) 10.382 36.649 ( -5.253 -4.954 2.912) 7.786 39.533 ( -5.517 4.533 0.976) 7.206 39.646 ( -5.156 -7.688 -2.629) 9.623 40.865 ( -3.185 0.211 0.999) 3.345 40.880 ( -2.052 -1.115 -0.737) 2.449 76.658 ( 0.406 2.961 1.995) 3.594 76.709 ( 0.084 -2.296 1.781) 2.907 80.331 ( 11.764 19.810 -7.371) 24.190 80.626 ( 13.833 -11.041 -12.119) 21.450 ======================= Grid point 197 (112/136) ======================= q-point: (-0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.706 8.077 2.569) 8.505 1.541 ( 5.291 4.392 1.919) 7.139 1.789 ( -4.410 4.703 1.465) 6.612 2.008 ( -3.977 -9.405 -2.606) 10.539 2.090 ( -2.151 9.010 -5.763) 10.909 2.185 ( -0.201 4.122 8.021) 9.020 2.244 ( 2.838 -7.226 7.832) 11.027 2.276 ( -5.011 -9.226 -3.753) 11.150 2.921 ( -3.228 2.440 0.667) 4.101 2.962 ( -4.958 -0.796 -2.740) 5.720 3.104 ( -0.348 5.875 0.573) 5.914 3.177 ( -2.129 -1.387 2.464) 3.540 3.199 ( -3.180 -1.729 -0.089) 3.620 3.220 ( -0.454 -2.026 -1.429) 2.521 3.800 ( -1.142 9.254 -0.973) 9.374 3.949 ( 0.240 0.991 0.878) 1.346 4.103 ( 1.930 -0.021 -1.774) 2.622 4.120 ( 3.856 -0.659 2.382) 4.580 4.250 ( -0.984 1.051 2.508) 2.892 4.367 ( -3.217 -9.637 -1.411) 10.258 4.461 ( -0.637 3.717 -3.659) 5.255 4.555 ( 0.664 -5.500 -5.860) 8.064 4.944 ( 3.921 6.399 3.475) 8.270 5.025 ( 8.599 -0.701 -2.611) 9.014 5.193 ( -4.541 2.851 3.779) 6.560 5.271 ( -5.511 -5.003 5.343) 9.162 5.518 ( 2.215 4.631 1.421) 5.327 5.574 ( -0.528 -1.985 0.753) 2.188 5.693 ( 1.367 0.062 1.084) 1.746 5.750 ( 2.666 -5.001 1.837) 5.958 6.186 ( 6.199 5.280 -3.526) 8.874 6.267 ( 4.849 -3.128 -1.150) 5.883 6.755 ( -1.941 -0.027 -0.680) 2.057 6.776 ( -0.526 -2.013 -3.076) 3.714 7.811 ( 4.469 1.552 -3.049) 5.628 7.868 ( 1.915 -4.641 -2.307) 5.525 12.279 ( 0.651 1.339 0.830) 1.705 12.297 ( 1.113 -0.113 0.335) 1.168 12.327 ( -0.406 0.711 0.149) 0.832 12.356 ( 0.081 -2.001 -0.958) 2.220 12.565 ( 0.907 1.206 0.607) 1.626 12.581 ( 0.664 -0.435 0.072) 0.797 13.583 ( -0.596 1.978 0.220) 2.078 13.618 ( 0.435 -1.667 -1.852) 2.529 15.938 ( -1.320 1.746 2.301) 3.176 15.966 ( -0.217 -1.149 1.090) 1.599 16.623 ( -0.243 0.809 -0.125) 0.854 16.636 ( -0.383 -0.547 -0.559) 0.871 16.872 ( -0.051 1.011 -0.676) 1.217 16.887 ( -0.193 -0.489 -0.388) 0.654 17.033 ( 0.375 1.664 -1.274) 2.129 17.059 ( 0.012 -0.945 -1.441) 1.723 17.820 ( 0.907 1.882 1.234) 2.427 17.859 ( 0.651 -2.147 0.623) 2.329 17.959 ( -0.351 1.054 -0.178) 1.125 17.974 ( -0.642 -0.576 0.156) 0.877 24.931 ( -0.372 0.561 1.593) 1.729 24.939 ( 1.261 -0.163 0.766) 1.484 25.403 ( 2.013 2.040 -5.875) 6.537 25.420 ( 2.090 0.272 -6.426) 6.763 28.264 ( 0.270 0.243 -0.004) 0.364 28.271 ( -0.003 -0.432 0.080) 0.439 28.441 ( -0.086 1.238 1.022) 1.607 28.456 ( -0.396 -0.283 1.017) 1.127 28.823 ( -0.183 2.763 1.316) 3.066 28.884 ( 0.191 -3.545 -0.325) 3.565 30.790 ( -3.079 3.855 -0.416) 4.951 30.863 ( -3.874 -3.816 -2.102) 5.830 33.445 ( 0.401 0.727 17.400) 17.420 33.486 ( 1.088 -3.784 19.564) 19.956 34.399 ( 11.494 10.515 -15.472) 21.956 34.615 ( 12.588 -12.098 -16.984) 24.357 35.741 ( 1.408 2.073 1.628) 2.988 35.788 ( 1.176 -2.726 1.546) 3.347 36.459 ( -2.498 7.456 1.590) 8.022 36.566 ( -5.611 -3.749 1.740) 6.969 39.450 ( -4.110 3.746 0.996) 5.649 39.529 ( -5.659 -4.802 -1.474) 7.567 40.813 ( -2.972 1.239 0.668) 3.288 40.838 ( -1.636 -1.308 -1.086) 2.359 76.678 ( -0.153 2.588 2.578) 3.656 76.722 ( 0.186 -1.992 1.289) 2.380 80.455 ( 8.997 18.216 -11.034) 23.119 80.698 ( 5.369 -6.996 -17.169) 19.302 ======================= Grid point 231 (113/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 8.215 0.000 -18.277) 20.038 1.318 ( -8.215 0.000 18.277) 20.038 1.546 ( -3.648 0.000 -20.366) 20.690 1.546 ( 3.648 0.000 20.366) 20.690 2.310 ( -2.851 0.000 -7.289) 7.827 2.310 ( 2.851 0.000 7.289) 7.827 2.474 ( -4.646 0.000 -30.509) 30.861 2.474 ( 4.646 0.000 30.509) 30.861 2.799 ( 4.042 0.000 -2.205) 4.604 2.799 ( -4.042 0.000 2.205) 4.604 2.989 ( -4.842 0.000 -1.279) 5.008 2.989 ( 4.842 0.000 1.279) 5.008 3.235 ( -8.905 0.000 2.094) 9.148 3.235 ( 8.905 0.000 -2.094) 9.148 3.520 ( -5.030 0.000 1.090) 5.147 3.520 ( 5.030 0.000 -1.090) 5.147 4.152 ( 1.232 0.000 -1.846) 2.220 4.152 ( -1.232 0.000 1.846) 2.220 4.360 ( -7.754 0.000 -6.802) 10.315 4.360 ( 7.754 0.000 6.802) 10.315 4.698 ( 10.296 0.000 -7.259) 12.597 4.698 ( -10.296 0.000 7.259) 12.597 4.869 ( -6.634 0.000 -4.387) 7.954 4.869 ( 6.634 0.000 4.387) 7.954 5.170 ( 2.452 0.000 -5.703) 6.208 5.170 ( -2.452 0.000 5.703) 6.208 5.614 ( -0.847 0.000 -2.568) 2.704 5.614 ( 0.847 0.000 2.568) 2.704 5.754 ( -4.869 0.000 -5.144) 7.083 5.754 ( 4.869 0.000 5.144) 7.083 6.421 ( -11.886 0.000 3.598) 12.419 6.421 ( 11.886 0.000 -3.598) 12.419 6.832 ( 8.505 0.000 -4.968) 9.850 6.832 ( -8.505 0.000 4.968) 9.850 8.043 ( -6.159 0.000 -6.042) 8.628 8.043 ( 6.159 0.000 6.042) 8.628 12.251 ( -0.032 0.000 -0.411) 0.412 12.251 ( 0.032 0.000 0.411) 0.412 12.415 ( 1.397 0.000 -0.839) 1.629 12.415 ( -1.397 0.000 0.839) 1.629 12.532 ( -0.479 0.000 -2.279) 2.329 12.532 ( 0.479 0.000 2.279) 2.329 13.522 ( -3.039 0.000 0.174) 3.044 13.522 ( 3.039 0.000 -0.174) 3.044 15.900 ( 3.855 0.000 -3.574) 5.257 15.900 ( -3.855 0.000 3.574) 5.257 16.593 ( 0.570 0.000 -0.964) 1.120 16.593 ( -0.570 0.000 0.964) 1.120 16.808 ( 0.193 0.000 -0.089) 0.213 16.808 ( -0.193 0.000 0.089) 0.213 17.009 ( 1.058 0.000 -1.608) 1.925 17.009 ( -1.058 0.000 1.608) 1.925 17.882 ( 2.985 0.000 -1.344) 3.274 17.882 ( -2.985 0.000 1.344) 3.274 17.954 ( -1.058 0.000 -0.515) 1.177 17.954 ( 1.058 0.000 0.515) 1.177 24.839 ( -3.290 0.000 -1.326) 3.547 24.839 ( 3.290 0.000 1.326) 3.547 25.252 ( 1.294 0.000 -3.533) 3.762 25.252 ( -1.294 0.000 3.533) 3.762 28.290 ( 1.447 0.000 -0.660) 1.591 28.290 ( -1.447 0.000 0.660) 1.591 28.395 ( 1.546 0.000 -1.055) 1.872 28.395 ( -1.546 0.000 1.055) 1.872 28.932 ( -0.466 0.000 -4.205) 4.231 28.932 ( 0.466 0.000 4.205) 4.231 30.735 ( -3.113 0.000 -3.857) 4.956 30.735 ( 3.113 0.000 3.857) 4.956 33.841 ( 4.324 0.000 -15.245) 15.846 33.841 ( -4.324 0.000 15.245) 15.846 34.647 ( -20.442 0.000 0.957) 20.464 34.647 ( 20.442 0.000 -0.957) 20.464 35.962 ( 0.141 0.000 -3.194) 3.197 35.962 ( -0.141 0.000 3.194) 3.197 36.267 ( -23.176 0.000 2.321) 23.292 36.267 ( 23.176 0.000 -2.321) 23.292 39.407 ( -3.242 0.000 -5.294) 6.208 39.407 ( 3.242 0.000 5.294) 6.208 40.784 ( 2.995 0.000 -4.356) 5.286 40.784 ( -2.995 0.000 4.356) 5.286 76.621 ( 6.153 0.000 -4.074) 7.379 76.621 ( -6.153 0.000 4.074) 7.379 79.526 ( -0.238 0.000 -18.916) 18.917 79.526 ( 0.238 0.000 18.916) 18.917 ======================= Grid point 233 (114/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.822 0.000 -14.525) 15.019 1.321 ( 6.856 0.000 -23.796) 24.764 1.477 ( 0.404 0.000 12.161) 12.167 1.801 ( 6.754 0.000 19.794) 20.914 2.211 ( -5.288 0.000 -6.229) 8.171 2.257 ( 9.071 0.000 -25.742) 27.293 2.435 ( 5.563 0.000 5.827) 8.055 2.687 ( -3.026 0.000 13.333) 13.673 2.836 ( 4.079 0.000 14.554) 15.115 2.868 ( 4.139 0.000 -2.938) 5.076 2.909 ( -1.663 0.000 -1.553) 2.276 3.060 ( -2.758 0.000 -0.498) 2.803 3.107 ( -0.569 0.000 1.849) 1.934 3.358 ( 6.539 0.000 -3.302) 7.326 3.492 ( 0.945 0.000 2.150) 2.348 3.611 ( 4.622 0.000 -1.835) 4.972 4.131 ( -8.490 0.000 -4.036) 9.401 4.148 ( -1.547 0.000 3.148) 3.507 4.185 ( 0.775 0.000 -2.482) 2.600 4.505 ( 4.150 0.000 4.928) 6.442 4.663 ( 0.859 0.000 8.132) 8.177 4.752 ( -3.636 0.000 -1.302) 3.862 4.847 ( 9.192 0.000 -8.540) 12.547 5.032 ( 6.618 0.000 4.727) 8.133 5.144 ( -4.525 0.000 4.949) 6.706 5.163 ( 3.219 0.000 -5.694) 6.541 5.584 ( -1.415 0.000 -1.535) 2.088 5.615 ( -4.683 0.000 -2.785) 5.448 5.665 ( 1.408 0.000 1.150) 1.818 5.846 ( 0.982 0.000 4.237) 4.349 6.145 ( -16.307 0.000 -4.335) 16.874 6.449 ( -5.133 0.000 -6.627) 8.382 6.752 ( -3.091 0.000 4.418) 5.392 6.929 ( 5.009 0.000 -3.234) 5.962 7.860 ( -9.379 0.000 -4.365) 10.345 8.144 ( -0.137 0.000 5.807) 5.809 12.234 ( -1.577 0.000 0.040) 1.577 12.240 ( -1.373 0.000 0.232) 1.393 12.401 ( -0.945 0.000 1.127) 1.470 12.436 ( 1.262 0.000 -0.111) 1.267 12.507 ( -0.513 0.000 -2.128) 2.189 12.555 ( 0.233 0.000 2.072) 2.085 13.482 ( -2.048 0.000 1.303) 2.427 13.584 ( 3.362 0.000 0.826) 3.462 15.857 ( -3.639 0.000 3.783) 5.249 15.939 ( 3.363 0.000 -3.593) 4.921 16.604 ( 0.771 0.000 1.130) 1.368 16.612 ( 1.776 0.000 -0.166) 1.784 16.816 ( 0.884 0.000 0.204) 0.907 16.820 ( 1.028 0.000 0.259) 1.060 17.003 ( -0.619 0.000 1.096) 1.259 17.012 ( 0.618 0.000 -2.112) 2.200 17.827 ( -3.309 0.000 -0.132) 3.312 17.887 ( -1.329 0.000 -1.636) 2.108 17.954 ( 1.725 0.000 -0.487) 1.792 17.964 ( -0.498 0.000 0.053) 0.501 24.782 ( -2.144 0.000 -0.632) 2.236 24.910 ( 3.327 0.000 0.948) 3.459 25.258 ( 1.539 0.000 -2.013) 2.534 25.262 ( -0.579 0.000 3.696) 3.741 28.267 ( -1.448 0.000 0.318) 1.483 28.304 ( 0.566 0.000 -0.915) 1.076 28.377 ( -1.188 0.000 0.755) 1.407 28.417 ( 1.501 0.000 -0.595) 1.615 28.884 ( -0.911 0.000 -4.809) 4.895 28.951 ( -1.562 0.000 3.329) 3.678 30.690 ( 0.073 0.000 -1.196) 1.198 30.847 ( 4.490 0.000 6.903) 8.235 33.766 ( 0.244 0.000 -14.862) 14.864 33.803 ( -12.048 0.000 14.126) 18.566 34.331 ( -17.897 0.000 10.588) 20.794 34.868 ( -5.485 0.000 0.729) 5.533 35.793 ( -15.127 0.000 -6.375) 16.416 35.994 ( 1.625 0.000 1.892) 2.494 36.000 ( 4.060 0.000 -3.531) 5.381 36.524 ( 10.312 0.000 -6.694) 12.295 39.419 ( 7.708 0.000 -5.561) 9.505 39.603 ( 9.408 0.000 12.117) 15.341 40.793 ( 0.196 0.000 4.083) 4.088 40.852 ( 7.592 0.000 -2.898) 8.127 76.545 ( -5.231 0.000 3.524) 6.308 76.704 ( 6.399 0.000 -4.442) 7.790 79.466 ( 6.888 0.000 -15.999) 17.419 79.745 ( 4.404 0.000 26.639) 27.000 ======================= Grid point 234 (115/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.756 0.000 -21.697) 21.872 1.332 ( 14.347 0.000 -17.376) 22.534 1.635 ( 2.286 0.000 18.884) 19.022 2.016 ( 4.333 0.000 8.824) 9.831 2.139 ( -1.265 0.000 1.744) 2.155 2.371 ( 20.208 0.000 -18.038) 27.088 2.576 ( 6.106 0.000 2.765) 6.703 2.711 ( 0.982 0.000 5.622) 5.707 2.863 ( -7.057 0.000 0.508) 7.075 2.868 ( 0.050 0.000 1.006) 1.007 2.936 ( 3.625 0.000 -4.589) 5.848 3.064 ( 1.054 0.000 8.578) 8.642 3.224 ( 7.575 0.000 6.382) 9.905 3.412 ( 2.362 0.000 -3.350) 4.099 3.560 ( 3.964 0.000 1.535) 4.250 3.567 ( -6.987 0.000 -7.395) 10.174 4.048 ( 3.196 0.000 3.409) 4.672 4.136 ( -2.324 0.000 3.263) 4.006 4.211 ( 2.721 0.000 -2.678) 3.818 4.598 ( 3.122 0.000 3.206) 4.475 4.644 ( -5.028 0.000 0.029) 5.028 4.776 ( -9.120 0.000 -8.673) 12.585 4.881 ( 7.375 0.000 14.943) 16.664 5.099 ( -2.172 0.000 2.587) 3.378 5.149 ( 3.639 0.000 0.607) 3.689 5.260 ( 9.797 0.000 -4.794) 10.907 5.487 ( -9.481 0.000 -2.438) 9.789 5.553 ( -0.247 0.000 0.897) 0.931 5.704 ( 1.335 0.000 0.579) 1.455 5.813 ( -4.429 0.000 -2.480) 5.076 5.922 ( -3.073 0.000 -2.373) 3.882 6.227 ( -12.533 0.000 -4.749) 13.402 6.741 ( -1.485 0.000 1.318) 1.986 6.960 ( 0.685 0.000 -1.824) 1.948 7.667 ( -9.051 0.000 -2.116) 9.295 8.120 ( -6.014 0.000 3.475) 6.946 12.202 ( -2.139 0.000 0.529) 2.203 12.212 ( -1.631 0.000 -0.055) 1.632 12.398 ( -0.247 0.000 1.192) 1.217 12.454 ( 0.618 0.000 0.264) 0.672 12.484 ( -0.428 0.000 -1.830) 1.879 12.568 ( -0.309 0.000 1.501) 1.532 13.467 ( -1.046 0.000 2.303) 2.529 13.644 ( 2.555 0.000 0.363) 2.581 15.832 ( -2.182 0.000 4.013) 4.567 15.970 ( 3.131 0.000 -3.732) 4.872 16.629 ( 1.005 0.000 1.061) 1.462 16.644 ( 1.478 0.000 0.499) 1.560 16.836 ( 1.066 0.000 0.055) 1.068 16.838 ( 0.483 0.000 -0.055) 0.486 16.997 ( -0.284 0.000 -2.260) 2.278 17.003 ( -0.061 0.000 0.581) 0.584 17.772 ( -2.000 0.000 -1.562) 2.538 17.844 ( -2.214 0.000 -0.585) 2.290 17.941 ( -1.470 0.000 -0.782) 1.665 17.982 ( 1.761 0.000 -1.226) 2.146 24.755 ( -0.967 0.000 0.611) 1.144 24.961 ( 2.258 0.000 -0.845) 2.411 25.271 ( 0.611 0.000 -0.292) 0.677 25.281 ( -0.110 0.000 3.019) 3.021 28.247 ( -0.824 0.000 0.032) 0.824 28.297 ( -0.537 0.000 -0.742) 0.916 28.368 ( 0.003 0.000 -0.021) 0.021 28.440 ( 1.352 0.000 -0.017) 1.352 28.840 ( -0.131 0.000 -4.494) 4.495 28.926 ( -3.533 0.000 2.751) 4.477 30.713 ( 2.546 0.000 0.340) 2.568 30.970 ( 2.777 0.000 7.477) 7.977 33.643 ( -15.670 0.000 13.606) 20.753 33.657 ( -0.587 0.000 -13.363) 13.376 34.142 ( -14.620 0.000 14.348) 20.484 34.371 ( -29.415 0.000 -22.859) 37.252 35.743 ( 3.836 0.000 2.557) 4.610 36.043 ( 2.995 0.000 -0.312) 3.012 36.132 ( 11.209 0.000 -0.078) 11.209 36.600 ( 4.406 0.000 -5.519) 7.061 39.553 ( 11.722 0.000 -8.105) 14.251 39.832 ( 3.743 0.000 15.375) 15.825 40.836 ( 1.184 0.000 3.762) 3.944 40.987 ( 7.369 0.000 0.089) 7.369 76.489 ( -3.567 0.000 3.186) 4.783 76.774 ( 4.705 0.000 -4.722) 6.665 79.510 ( 9.705 0.000 -14.757) 17.662 79.985 ( -2.928 0.000 30.775) 30.914 ======================= Grid point 235 (116/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 13.727 0.000 -5.680) 14.856 1.530 ( 17.884 0.000 -11.112) 21.055 1.782 ( -0.064 0.000 15.228) 15.228 2.064 ( 0.165 0.000 -0.730) 0.749 2.189 ( 0.793 0.000 7.238) 7.281 2.630 ( 16.947 0.000 -9.190) 19.278 2.700 ( 6.452 0.000 0.160) 6.454 2.741 ( -3.506 0.000 0.233) 3.514 2.832 ( 5.037 0.000 5.778) 7.666 2.904 ( 3.516 0.000 -0.899) 3.630 2.947 ( 1.746 0.000 -4.821) 5.127 3.109 ( -0.699 0.000 4.525) 4.579 3.336 ( -7.014 0.000 -6.305) 9.432 3.393 ( 5.276 0.000 0.702) 5.323 3.445 ( 1.019 0.000 -1.233) 1.600 3.632 ( 3.257 0.000 2.091) 3.871 4.122 ( -1.441 0.000 2.779) 3.131 4.192 ( 3.290 0.000 -1.502) 3.617 4.254 ( 7.611 0.000 3.096) 8.217 4.459 ( -15.138 0.000 -10.336) 18.330 4.545 ( -6.850 0.000 2.486) 7.288 4.691 ( 3.072 0.000 3.029) 4.315 4.968 ( -4.855 0.000 7.569) 8.993 5.158 ( -1.078 0.000 -2.605) 2.819 5.197 ( 0.607 0.000 6.259) 6.289 5.292 ( 0.096 0.000 -7.571) 7.572 5.355 ( 0.404 0.000 1.491) 1.545 5.603 ( 3.234 0.000 1.730) 3.668 5.707 ( -0.303 0.000 -2.775) 2.791 5.783 ( 0.547 0.000 2.230) 2.296 5.873 ( -2.270 0.000 -0.894) 2.440 6.001 ( -7.870 0.000 -2.933) 8.399 6.719 ( -1.180 0.000 0.151) 1.189 6.934 ( -2.456 0.000 -0.414) 2.490 7.523 ( -5.786 0.000 0.064) 5.786 7.996 ( -9.074 0.000 0.805) 9.109 12.169 ( -1.820 0.000 0.632) 1.926 12.185 ( -1.353 0.000 -0.124) 1.359 12.409 ( 0.426 0.000 1.476) 1.536 12.461 ( 0.016 0.000 0.044) 0.047 12.466 ( -0.151 0.000 -1.573) 1.581 12.564 ( -1.001 0.000 0.867) 1.325 13.477 ( -0.139 0.000 3.350) 3.353 13.673 ( 1.196 0.000 -1.773) 2.139 15.839 ( -0.476 0.000 4.239) 4.266 15.993 ( 2.411 0.000 -3.984) 4.657 16.652 ( 0.679 0.000 0.946) 1.164 16.667 ( 0.674 0.000 0.289) 0.733 16.829 ( -0.663 0.000 -1.448) 1.592 16.849 ( 0.334 0.000 -0.098) 0.348 16.983 ( 0.148 0.000 -0.844) 0.857 17.007 ( 0.189 0.000 0.094) 0.211 17.739 ( -0.219 0.000 -1.944) 1.956 17.804 ( -2.030 0.000 0.198) 2.039 17.914 ( -0.863 0.000 -0.304) 0.915 17.995 ( 0.862 0.000 -1.733) 1.936 24.756 ( 0.007 0.000 2.166) 2.166 24.976 ( 0.912 0.000 -2.950) 3.088 25.275 ( -0.077 0.000 0.371) 0.378 25.299 ( -0.048 0.000 2.074) 2.074 28.239 ( -0.026 0.000 -0.256) 0.257 28.281 ( -0.696 0.000 -0.195) 0.723 28.375 ( 0.851 0.000 -0.271) 0.893 28.462 ( 0.834 0.000 0.259) 0.873 28.813 ( 0.414 0.000 -3.886) 3.908 28.872 ( -4.296 0.000 2.564) 5.003 30.775 ( 3.539 0.000 1.326) 3.780 31.039 ( -0.084 0.000 4.553) 4.554 33.471 ( -14.070 0.000 13.347) 19.393 33.559 ( -0.242 0.000 -12.310) 12.313 33.769 ( -14.839 0.000 -26.398) 30.283 33.983 ( -14.879 0.000 14.083) 20.487 35.834 ( 3.375 0.000 4.220) 5.403 36.089 ( 3.138 0.000 -2.754) 4.176 36.345 ( 10.469 0.000 2.282) 10.715 36.629 ( 2.998 0.000 -3.917) 4.933 39.701 ( 11.487 0.000 -9.140) 14.680 39.953 ( -1.249 0.000 13.067) 13.126 40.886 ( 1.316 0.000 3.729) 3.954 41.080 ( 2.669 0.000 0.001) 2.669 76.469 ( -1.134 0.000 3.166) 3.363 76.793 ( 1.340 0.000 -5.084) 5.258 79.585 ( 9.706 0.000 -12.946) 16.181 80.056 ( -11.262 0.000 25.285) 27.680 ======================= Grid point 236 (117/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 22.034 0.000 8.842) 23.741 1.768 ( 14.487 0.000 -5.758) 15.589 1.868 ( 1.104 0.000 8.151) 8.225 2.055 ( -1.273 0.000 0.370) 1.326 2.222 ( -2.005 0.000 4.597) 5.015 2.649 ( -4.802 0.000 -0.309) 4.812 2.737 ( -0.246 0.000 -3.428) 3.437 2.843 ( 4.425 0.000 0.597) 4.465 2.969 ( 4.502 0.000 -2.577) 5.187 2.972 ( 4.213 0.000 8.038) 9.075 2.988 ( 9.160 0.000 -7.350) 11.745 3.130 ( 1.554 0.000 1.137) 1.926 3.257 ( 0.622 0.000 1.103) 1.266 3.358 ( -3.578 0.000 -9.898) 10.525 3.483 ( 3.527 0.000 -0.301) 3.539 3.724 ( 2.649 0.000 4.467) 5.194 4.094 ( -10.170 0.000 -4.873) 11.277 4.124 ( -4.878 0.000 -5.631) 7.450 4.156 ( -1.556 0.000 -4.098) 4.384 4.431 ( -5.972 0.000 3.138) 6.746 4.499 ( 9.804 0.000 7.909) 12.597 4.772 ( 3.668 0.000 2.253) 4.305 4.946 ( -1.564 0.000 3.729) 4.044 5.091 ( -3.573 0.000 -4.488) 5.737 5.096 ( -3.178 0.000 -5.439) 6.300 5.289 ( -9.801 0.000 6.989) 12.037 5.394 ( 7.080 0.000 -4.482) 8.379 5.637 ( -2.117 0.000 3.141) 3.788 5.668 ( -0.071 0.000 -5.112) 5.112 5.793 ( -4.238 0.000 3.744) 5.655 5.868 ( 2.147 0.000 3.933) 4.481 5.932 ( 1.272 0.000 -2.124) 2.475 6.712 ( 1.030 0.000 -1.031) 1.457 6.875 ( -4.189 0.000 0.874) 4.279 7.471 ( -0.582 0.000 1.717) 1.813 7.824 ( -9.509 0.000 -1.131) 9.576 12.148 ( -1.016 0.000 0.497) 1.131 12.163 ( -1.020 0.000 -0.134) 1.029 12.431 ( 0.310 0.000 2.058) 2.082 12.457 ( -0.250 0.000 -0.412) 0.482 12.459 ( 0.861 0.000 -1.601) 1.818 12.545 ( -1.604 0.000 0.403) 1.654 13.510 ( 0.620 0.000 4.403) 4.447 13.661 ( -0.095 0.000 -4.035) 4.036 15.873 ( 0.666 0.000 4.481) 4.530 15.995 ( 1.036 0.000 -4.377) 4.498 16.666 ( 0.162 0.000 0.781) 0.797 16.672 ( 0.160 0.000 -0.543) 0.566 16.810 ( -0.060 0.000 -1.092) 1.094 16.846 ( -0.550 0.000 -0.155) 0.571 16.988 ( 0.465 0.000 0.331) 0.571 17.009 ( 0.144 0.000 -0.312) 0.344 17.732 ( 0.775 0.000 -1.699) 1.868 17.774 ( -1.739 0.000 0.792) 1.911 17.910 ( 0.209 0.000 0.869) 0.894 17.987 ( -0.120 0.000 -2.133) 2.137 24.785 ( 0.840 0.000 3.665) 3.760 24.952 ( -0.527 0.000 -4.513) 4.544 25.279 ( 0.303 0.000 0.504) 0.588 25.307 ( -0.303 0.000 1.138) 1.178 28.241 ( 0.586 0.000 -0.549) 0.803 28.269 ( -0.725 0.000 0.419) 0.837 28.394 ( 1.454 0.000 -0.179) 1.465 28.469 ( -0.246 0.000 0.145) 0.286 28.796 ( 0.645 0.000 -3.531) 3.590 28.819 ( -3.599 0.000 2.800) 4.559 30.852 ( 3.480 0.000 2.042) 4.035 31.037 ( -1.920 0.000 0.701) 2.044 33.340 ( -11.064 0.000 12.953) 17.035 33.394 ( -3.030 0.000 -19.412) 19.647 33.552 ( 3.263 0.000 -12.523) 12.941 33.817 ( -14.252 0.000 12.721) 19.103 35.927 ( 3.138 0.000 5.267) 6.131 36.107 ( 1.805 0.000 -4.781) 5.111 36.517 ( 6.762 0.000 2.157) 7.097 36.652 ( 2.054 0.000 -2.641) 3.346 39.826 ( 9.842 0.000 -9.131) 13.425 39.991 ( -3.835 0.000 10.624) 11.295 40.938 ( 1.460 0.000 3.798) 4.069 41.089 ( -0.518 0.000 -1.844) 1.915 76.496 ( 1.438 0.000 3.448) 3.736 76.750 ( -1.903 0.000 -5.068) 5.413 79.668 ( 9.353 0.000 -11.222) 14.608 79.983 ( -13.163 0.000 17.709) 22.065 ======================= Grid point 237 (118/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 4.052 0.000 3.865) 5.600 1.982 ( 10.018 0.000 -5.401) 11.381 2.008 ( -2.342 0.000 2.854) 3.692 2.023 ( 6.475 0.000 7.979) 10.276 2.238 ( 7.692 0.000 3.699) 8.535 2.518 ( -10.911 0.000 -2.268) 11.144 2.706 ( 1.052 0.000 -0.583) 1.203 2.799 ( -6.967 0.000 -2.863) 7.533 3.019 ( 3.286 0.000 -2.507) 4.133 3.049 ( -0.924 0.000 2.295) 2.475 3.100 ( 6.958 0.000 -5.152) 8.658 3.146 ( -1.994 0.000 1.894) 2.750 3.295 ( 3.788 0.000 -2.433) 4.503 3.310 ( 1.336 0.000 2.740) 3.049 3.566 ( 5.063 0.000 2.872) 5.821 3.709 ( -6.340 0.000 -3.077) 7.047 3.910 ( -0.849 0.000 -2.282) 2.435 3.982 ( -6.106 0.000 -3.429) 7.003 4.213 ( 5.899 0.000 -1.137) 6.008 4.322 ( -7.438 0.000 2.614) 7.884 4.745 ( 10.176 0.000 7.214) 12.473 4.854 ( 4.187 0.000 1.009) 4.307 4.929 ( -3.903 0.000 2.007) 4.389 4.954 ( -7.232 0.000 -6.637) 9.816 5.068 ( 5.942 0.000 -7.540) 9.600 5.161 ( -9.857 0.000 8.099) 12.758 5.474 ( 7.784 0.000 -7.986) 11.152 5.566 ( -8.446 0.000 7.390) 11.222 5.672 ( 3.894 0.000 -4.504) 5.954 5.728 ( -4.905 0.000 2.602) 5.553 5.936 ( 0.228 0.000 6.136) 6.141 5.953 ( 2.282 0.000 -4.005) 4.610 6.743 ( 3.494 0.000 -1.895) 3.975 6.804 ( -4.589 0.000 1.776) 4.920 7.523 ( 4.427 0.000 2.434) 5.052 7.653 ( -7.878 0.000 -2.204) 8.180 12.141 ( -0.125 0.000 0.321) 0.344 12.147 ( -0.572 0.000 -0.192) 0.603 12.442 ( -0.212 0.000 1.262) 1.280 12.448 ( -0.128 0.000 -0.802) 0.813 12.480 ( 2.045 0.000 -0.510) 2.108 12.515 ( -1.983 0.000 0.190) 1.992 13.561 ( 1.044 0.000 5.184) 5.288 13.617 ( -0.902 0.000 -5.214) 5.292 15.922 ( 0.930 0.000 4.661) 4.753 15.968 ( -0.287 0.000 -4.652) 4.661 16.670 ( -0.254 0.000 0.718) 0.762 16.670 ( 0.265 0.000 -0.817) 0.859 16.813 ( 0.783 0.000 -0.193) 0.807 16.830 ( -0.985 0.000 -0.111) 0.991 16.999 ( 0.311 0.000 0.639) 0.711 17.007 ( -0.059 0.000 -0.578) 0.581 17.739 ( 1.196 0.000 -1.467) 1.892 17.753 ( -1.469 0.000 1.203) 1.898 17.931 ( 0.881 0.000 1.854) 2.052 17.962 ( -0.812 0.000 -2.254) 2.395 24.836 ( 1.394 0.000 4.736) 4.937 24.898 ( -1.376 0.000 -5.095) 5.277 25.292 ( 0.705 0.000 0.250) 0.748 25.304 ( -0.632 0.000 0.335) 0.715 28.250 ( 0.865 0.000 -0.762) 1.153 28.260 ( -0.853 0.000 0.756) 1.140 28.424 ( 1.804 0.000 -0.007) 1.804 28.454 ( -1.421 0.000 -0.046) 1.422 28.786 ( 1.060 0.000 -3.375) 3.538 28.789 ( -2.118 0.000 3.176) 3.817 30.926 ( 3.020 0.000 2.314) 3.804 30.991 ( -2.595 0.000 -1.635) 3.067 33.267 ( -7.488 0.000 13.333) 15.292 33.273 ( 3.201 0.000 -15.541) 15.868 33.571 ( 7.931 0.000 -10.991) 13.554 33.669 ( -11.787 0.000 11.458) 16.438 36.016 ( 2.111 0.000 6.020) 6.379 36.082 ( -0.248 0.000 -5.922) 5.927 36.618 ( 3.055 0.000 1.757) 3.524 36.657 ( 0.046 0.000 -1.877) 1.877 39.919 ( 7.822 0.000 -8.968) 11.900 39.976 ( -5.818 0.000 9.312) 10.980 40.993 ( 1.701 0.000 3.707) 4.079 41.049 ( -1.632 0.000 -3.159) 3.556 76.567 ( 3.297 0.000 3.973) 5.163 76.662 ( -3.601 0.000 -4.601) 5.843 79.760 ( 9.918 0.000 -10.810) 14.670 79.868 ( -11.601 0.000 12.739) 17.230 ======================= Grid point 243 (119/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.545 7.665 -19.521) 21.459 1.398 ( -4.545 7.665 19.521) 21.459 1.554 ( 0.735 1.273 -22.403) 22.451 1.554 ( -0.735 1.273 22.403) 22.451 2.291 ( -5.144 -3.811 -3.828) 7.459 2.291 ( 5.144 -3.811 3.828) 7.459 2.524 ( -4.021 4.985 -27.062) 27.810 2.524 ( 4.021 4.985 27.062) 27.810 2.845 ( -1.774 5.413 -3.085) 6.478 2.845 ( 1.774 5.413 3.085) 6.478 2.964 ( -5.248 -3.208 -3.090) 6.884 2.964 ( 5.248 -3.208 3.090) 6.884 3.199 ( -5.299 -2.845 -0.825) 6.071 3.199 ( 5.299 -2.845 0.825) 6.071 3.535 ( -1.288 2.187 -1.894) 3.167 3.535 ( 1.288 2.187 1.894) 3.167 4.175 ( -2.895 2.005 -1.575) 3.858 4.175 ( 2.895 2.005 1.575) 3.858 4.348 ( -5.428 -1.140 -5.562) 7.855 4.348 ( 5.428 -1.140 5.562) 7.855 4.682 ( 6.366 -3.001 -5.096) 8.689 4.682 ( -6.366 -3.001 5.096) 8.689 4.879 ( -0.479 2.402 -3.857) 4.569 4.879 ( 0.479 2.402 3.857) 4.569 5.228 ( 0.322 4.810 -5.902) 7.621 5.228 ( -0.322 4.810 5.902) 7.621 5.606 ( 0.590 -0.783 -2.239) 2.445 5.606 ( -0.590 -0.783 2.239) 2.445 5.736 ( -4.214 -1.449 -4.307) 6.198 5.736 ( 4.214 -1.449 4.307) 6.198 6.371 ( -1.887 -4.599 -3.609) 6.143 6.371 ( 1.887 -4.599 3.609) 6.143 6.813 ( 6.985 -1.935 -4.583) 8.575 6.813 ( -6.985 -1.935 4.583) 8.575 7.993 ( -4.654 -4.738 -4.872) 8.237 7.993 ( 4.654 -4.738 4.872) 8.237 12.259 ( -0.061 0.762 -0.172) 0.783 12.259 ( 0.061 0.762 0.172) 0.783 12.396 ( 0.958 -1.593 -1.593) 2.448 12.396 ( -0.958 -1.593 1.593) 2.448 12.548 ( -0.401 1.347 -1.210) 1.855 12.548 ( 0.401 1.347 1.210) 1.855 13.539 ( 0.280 1.493 -1.828) 2.377 13.539 ( -0.280 1.493 1.828) 2.377 15.921 ( 3.049 1.843 -3.724) 5.154 15.921 ( -3.049 1.843 3.724) 5.154 16.603 ( 0.190 0.850 -1.065) 1.376 16.603 ( -0.190 0.850 1.065) 1.376 16.812 ( 1.324 0.655 -1.430) 2.055 16.812 ( -1.324 0.655 1.430) 2.055 17.017 ( 0.619 0.683 -1.605) 1.850 17.017 ( -0.619 0.683 1.605) 1.850 17.879 ( -1.058 -0.357 -1.267) 1.689 17.879 ( 1.058 -0.357 1.267) 1.689 17.955 ( -1.474 0.041 -0.610) 1.596 17.955 ( 1.474 0.041 0.610) 1.596 24.875 ( -3.298 3.180 0.061) 4.582 24.875 ( 3.298 3.180 -0.061) 4.582 25.263 ( 2.299 1.234 -4.061) 4.827 25.263 ( -2.299 1.234 4.061) 4.827 28.286 ( 0.128 -0.414 -0.378) 0.575 28.286 ( -0.128 -0.414 0.378) 0.575 28.408 ( 0.694 1.274 -1.019) 1.773 28.408 ( -0.694 1.274 1.019) 1.773 28.918 ( -0.391 -1.417 -4.142) 4.395 28.918 ( 0.391 -1.417 4.142) 4.395 30.742 ( -2.518 0.669 -3.762) 4.576 30.742 ( 2.518 0.669 3.762) 4.576 33.846 ( 3.287 0.551 -15.780) 16.128 33.846 ( -3.287 0.551 15.780) 16.128 34.538 ( -6.704 -9.865 -14.324) 18.639 34.538 ( 6.704 -9.865 14.324) 18.639 35.925 ( -0.912 -2.936 -2.676) 4.076 35.925 ( 0.912 -2.936 2.676) 4.076 36.339 ( -14.056 5.941 -0.962) 15.290 36.339 ( 14.056 5.941 0.962) 15.290 39.412 ( -2.606 0.523 -4.574) 5.290 39.412 ( 2.606 0.523 4.574) 5.290 40.786 ( 2.820 0.235 -3.988) 4.890 40.786 ( -2.820 0.235 3.988) 4.890 76.654 ( 3.949 2.911 -4.617) 6.737 76.654 ( -3.949 2.911 4.617) 6.737 79.728 ( -4.249 19.240 -12.714) 23.449 79.728 ( 4.249 19.240 12.714) 23.449 ======================= Grid point 245 (120/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.004 5.221 -20.665) 21.525 1.448 ( 3.788 7.945 -11.491) 14.475 1.534 ( 2.687 5.573 9.544) 11.374 1.762 ( 5.483 -2.845 19.130) 20.102 2.172 ( -4.466 -4.631 -3.770) 7.457 2.293 ( 5.185 3.025 -20.512) 21.372 2.468 ( 8.600 1.534 -0.110) 8.736 2.706 ( -4.033 2.625 8.075) 9.400 2.795 ( -1.637 -4.321 3.706) 5.923 2.872 ( -0.587 -0.909 4.505) 4.634 2.964 ( 5.771 7.141 -0.660) 9.205 3.056 ( -2.300 -3.204 4.086) 5.679 3.096 ( 2.062 3.166 1.156) 3.951 3.314 ( 5.634 -4.312 -1.103) 7.180 3.524 ( 1.435 3.901 0.818) 4.236 3.634 ( 5.899 1.694 1.448) 6.306 4.084 ( -6.371 0.050 -4.639) 7.881 4.195 ( -1.630 0.947 -2.124) 2.840 4.249 ( -0.949 5.110 2.247) 5.663 4.456 ( 2.807 -4.096 4.898) 6.975 4.628 ( -0.384 -3.866 5.323) 6.590 4.748 ( -1.706 -2.292 0.065) 2.858 4.866 ( 6.197 0.815 -4.694) 7.817 4.952 ( 1.350 -2.267 -0.582) 2.702 5.165 ( -1.822 0.902 -1.534) 2.546 5.268 ( 2.351 7.675 -0.484) 8.042 5.564 ( -3.322 -2.118 -4.156) 5.726 5.623 ( -0.946 0.818 2.245) 2.570 5.674 ( 1.148 1.575 0.321) 1.976 5.821 ( 1.479 -2.432 3.683) 4.655 6.137 ( -13.715 -0.771 -4.466) 14.445 6.403 ( -3.964 -4.513 -4.522) 7.518 6.743 ( -3.544 -0.895 4.934) 6.141 6.893 ( 4.241 -3.517 -2.834) 6.196 7.832 ( -8.780 -2.598 -2.554) 9.506 8.083 ( 0.727 -5.768 3.555) 6.814 12.243 ( -1.550 0.921 0.088) 1.805 12.248 ( -1.234 0.815 0.220) 1.495 12.386 ( -0.640 -1.227 0.867) 1.632 12.415 ( 1.498 -1.903 -0.658) 2.510 12.528 ( -0.843 1.633 -1.170) 2.178 12.560 ( -0.085 0.594 1.208) 1.349 13.506 ( -1.972 2.185 1.637) 3.368 13.588 ( 2.770 0.312 0.353) 2.810 15.890 ( -3.222 2.875 3.760) 5.726 15.947 ( 2.801 0.789 -3.493) 4.547 16.602 ( 0.653 0.233 0.253) 0.738 16.624 ( 1.219 0.713 0.370) 1.460 16.811 ( -0.137 -0.127 1.747) 1.757 16.840 ( 2.247 1.809 -0.582) 2.943 17.010 ( -0.188 0.018 -0.975) 0.993 17.020 ( 0.050 1.281 0.251) 1.307 17.826 ( -2.691 -0.065 -1.048) 2.889 17.897 ( -1.132 0.884 -0.259) 1.459 17.933 ( 0.170 -1.358 -0.251) 1.392 17.978 ( 0.819 0.662 -0.127) 1.061 24.813 ( -3.192 2.989 0.833) 4.451 24.938 ( 3.340 2.314 -0.882) 4.158 25.257 ( -1.647 0.599 4.348) 4.688 25.287 ( 2.371 1.952 -1.856) 3.588 28.264 ( -1.253 -0.183 0.200) 1.282 28.298 ( 0.420 -0.538 -0.589) 0.901 28.390 ( -0.876 1.414 0.270) 1.685 28.429 ( 1.406 1.203 -0.482) 1.912 28.872 ( -0.885 -1.099 -4.311) 4.537 28.939 ( -1.229 -1.254 3.172) 3.626 30.702 ( 0.233 1.304 -0.904) 1.604 30.848 ( 4.600 0.042 5.989) 7.552 33.748 ( -2.404 -0.972 -10.724) 11.034 33.847 ( -8.814 3.625 10.983) 14.541 34.220 ( -14.887 -10.047 -0.324) 17.963 34.736 ( -5.609 -12.019 6.816) 14.912 35.774 ( -9.376 -1.141 -3.899) 10.218 35.957 ( 0.759 -3.344 -3.585) 4.961 36.108 ( -0.760 9.755 0.557) 9.801 36.587 ( 10.696 4.721 -5.329) 12.849 39.425 ( 6.822 0.558 -4.599) 8.247 39.577 ( 8.435 -2.311 9.397) 12.837 40.792 ( 0.083 -0.125 4.040) 4.043 40.850 ( 6.708 -0.207 -2.710) 7.238 76.585 ( -4.983 3.517 3.183) 6.879 76.725 ( 5.268 1.787 -3.662) 6.660 79.608 ( -0.133 15.003 -6.994) 16.554 79.957 ( 5.495 18.723 19.448) 27.549 ======================= Grid point 246 (121/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 4.676 3.808 -16.814) 17.863 1.405 ( 6.198 5.149 -15.810) 17.745 1.688 ( 2.536 5.880 15.883) 17.125 1.993 ( 7.560 -2.487 9.804) 12.628 2.123 ( 0.007 -1.703 1.219) 2.095 2.368 ( 16.270 -0.242 -15.000) 22.130 2.633 ( 7.945 2.666 0.128) 8.382 2.671 ( 0.484 -2.683 -0.553) 2.782 2.708 ( -4.001 -7.479 -2.048) 8.725 2.928 ( -1.981 1.153 4.800) 5.319 3.016 ( 3.734 4.186 -1.276) 5.752 3.074 ( -0.635 3.358 6.127) 7.016 3.212 ( 4.842 -0.206 4.663) 6.725 3.390 ( 3.625 -2.762 -0.640) 4.602 3.546 ( -1.282 4.207 -0.346) 4.412 3.709 ( 0.782 7.399 -1.444) 7.579 3.968 ( 0.634 -3.002 0.215) 3.076 4.193 ( 0.888 1.547 0.720) 1.924 4.237 ( -1.384 2.687 0.509) 3.065 4.537 ( 2.601 -5.255 2.646) 6.432 4.620 ( -5.426 -3.915 2.469) 7.132 4.769 ( -8.811 1.682 -9.071) 12.757 4.836 ( 8.390 -5.936 7.572) 12.766 4.996 ( 0.278 -7.156 4.451) 8.432 5.162 ( 0.089 -0.411 1.897) 1.943 5.332 ( 6.405 5.646 -4.668) 9.731 5.452 ( -3.975 -0.365 -6.849) 7.927 5.624 ( -2.384 3.714 4.858) 6.564 5.710 ( 1.287 0.939 0.747) 1.759 5.824 ( -3.141 0.554 -1.040) 3.355 5.910 ( -4.624 -1.212 -4.032) 6.254 6.215 ( -11.643 -1.125 -3.499) 12.209 6.738 ( -1.131 -0.342 2.960) 3.188 6.920 ( 0.572 -4.001 -1.588) 4.343 7.662 ( -8.246 -0.337 -1.137) 8.331 8.067 ( -4.641 -5.105 2.173) 7.233 12.210 ( -2.137 0.868 0.204) 2.316 12.223 ( -1.650 1.007 0.194) 1.943 12.386 ( -0.063 -1.056 0.951) 1.422 12.436 ( 1.256 -1.658 -0.384) 2.115 12.503 ( -0.923 1.415 -1.179) 2.060 12.562 ( -0.561 -0.181 1.059) 1.212 13.492 ( -1.256 2.299 2.548) 3.654 13.635 ( 2.214 -0.793 -0.010) 2.352 15.867 ( -2.185 3.132 3.663) 5.291 15.973 ( 2.828 0.274 -3.388) 4.422 16.624 ( 1.286 -0.344 0.268) 1.358 16.647 ( 0.843 0.183 0.706) 1.115 16.824 ( 0.077 -0.454 1.473) 1.543 16.870 ( 1.188 2.310 -0.705) 2.691 16.994 ( -0.419 -0.234 -1.504) 1.579 17.024 ( 0.062 1.765 0.534) 1.845 17.775 ( -1.637 0.466 -1.736) 2.431 17.862 ( -2.203 1.826 0.213) 2.870 17.925 ( -0.869 -1.388 -0.812) 1.828 17.991 ( 1.097 0.624 -1.012) 1.618 24.776 ( -1.856 2.248 1.539) 3.296 24.975 ( 2.009 0.936 -2.271) 3.173 25.263 ( -1.441 0.215 4.706) 4.926 25.313 ( 1.468 2.266 -1.022) 2.887 28.248 ( -0.623 0.116 0.001) 0.633 28.293 ( -0.426 -0.368 -0.544) 0.782 28.383 ( 0.081 1.505 -0.286) 1.534 28.451 ( 1.234 1.014 -0.088) 1.599 28.832 ( -0.270 -0.717 -3.802) 3.878 28.920 ( -2.999 -0.664 2.480) 3.948 30.729 ( 2.591 1.702 0.484) 3.137 30.968 ( 3.028 -0.348 6.530) 7.206 33.619 ( -6.521 -1.247 -2.769) 7.194 33.702 ( -10.232 3.449 1.036) 10.847 33.999 ( -11.076 -10.982 -2.044) 15.731 34.383 ( -27.144 -1.685 -2.731) 27.333 35.735 ( 3.699 -0.437 1.520) 4.023 35.984 ( 4.596 -5.043 -1.693) 7.030 36.193 ( 7.628 6.823 -0.346) 10.240 36.679 ( 4.641 6.000 -4.356) 8.747 39.548 ( 10.564 -0.478 -6.678) 12.507 39.781 ( 4.355 -4.885 12.160) 13.809 40.834 ( 1.005 -0.232 4.221) 4.346 40.966 ( 6.782 -1.949 -0.905) 7.115 76.527 ( -3.684 3.547 2.735) 5.799 76.780 ( 3.681 0.439 -3.974) 5.435 79.603 ( 4.696 10.422 -7.426) 13.631 80.138 ( -4.296 13.254 24.297) 28.008 ======================= Grid point 247 (122/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 12.513 5.018 -4.461) 14.201 1.492 ( 12.492 -4.369 -9.719) 16.419 1.828 ( 1.413 6.528 12.716) 14.363 2.102 ( 2.963 2.215 -1.553) 4.012 2.202 ( 1.929 0.586 8.340) 8.580 2.565 ( 11.563 -5.909 -5.547) 14.120 2.657 ( 1.401 -4.347 -2.995) 5.461 2.707 ( 7.233 -3.216 -4.183) 8.953 2.797 ( 7.287 -1.455 0.116) 7.431 2.928 ( 0.201 2.468 0.251) 2.489 3.052 ( -0.942 8.289 2.647) 8.752 3.096 ( 0.692 -1.382 3.099) 3.463 3.257 ( -0.944 -2.884 -3.928) 4.964 3.423 ( 0.958 -0.791 -0.226) 1.263 3.506 ( -0.942 6.566 1.483) 6.797 3.712 ( 1.313 6.932 0.164) 7.058 4.073 ( 5.215 -3.594 2.272) 6.728 4.207 ( 0.411 -0.362 4.651) 4.683 4.230 ( 0.719 -1.015 -4.279) 4.456 4.448 ( -11.890 -0.613 -5.428) 13.085 4.534 ( -5.585 -2.374 -0.872) 6.131 4.649 ( 2.041 -2.583 2.384) 4.065 4.927 ( -3.739 -4.226 2.454) 6.153 5.085 ( 5.646 -8.639 3.742) 10.978 5.148 ( -4.755 -3.077 2.746) 6.294 5.320 ( -1.490 2.930 -3.064) 4.494 5.418 ( 2.178 4.359 -3.205) 5.833 5.618 ( -0.404 1.402 2.381) 2.793 5.722 ( -0.444 0.857 0.149) 0.976 5.775 ( -0.234 -1.098 -0.904) 1.441 5.860 ( -1.700 -0.187 -1.114) 2.041 6.006 ( -7.306 0.558 -2.220) 7.656 6.735 ( -0.938 1.238 1.662) 2.275 6.898 ( -1.849 -3.384 -0.537) 3.893 7.536 ( -5.192 1.392 0.394) 5.390 7.961 ( -7.841 -3.475 0.367) 8.584 12.175 ( -1.789 0.655 0.232) 1.919 12.195 ( -1.588 0.912 0.121) 1.835 12.399 ( 0.522 -1.004 1.260) 1.694 12.451 ( 0.648 -1.004 -0.436) 1.272 12.480 ( -0.582 1.047 -1.155) 1.664 12.554 ( -1.095 -0.641 0.805) 1.503 13.498 ( -0.479 1.945 3.381) 3.929 13.660 ( 1.162 -1.229 -1.710) 2.405 15.868 ( -0.591 2.781 3.609) 4.595 15.995 ( 2.258 0.161 -3.482) 4.153 16.646 ( 1.015 -0.674 -0.020) 1.218 16.664 ( 0.416 -0.014 0.883) 0.976 16.825 ( -0.674 -0.255 -0.212) 0.751 16.869 ( -0.250 1.549 -0.976) 1.848 16.984 ( 0.206 0.279 -0.293) 0.454 17.029 ( 0.052 1.879 0.320) 1.906 17.746 ( -0.220 0.760 -1.803) 1.969 17.823 ( -2.340 1.878 0.347) 3.020 17.906 ( -0.465 -0.718 -0.293) 0.905 17.998 ( 0.618 0.241 -1.509) 1.648 24.769 ( -0.564 1.442 2.503) 2.943 24.977 ( 0.644 -0.134 -3.587) 3.647 25.271 ( -1.208 0.226 4.152) 4.330 25.323 ( 0.594 1.894 -1.078) 2.259 28.243 ( 0.138 0.435 -0.203) 0.499 28.281 ( -0.502 0.019 -0.132) 0.519 28.388 ( 0.726 1.303 -0.417) 1.549 28.469 ( 0.682 0.684 0.120) 0.973 28.807 ( 0.098 -0.478 -2.947) 2.987 28.875 ( -3.599 0.079 1.961) 4.099 30.791 ( 3.387 1.673 1.356) 4.014 31.035 ( 0.147 -0.472 3.927) 3.958 33.462 ( -11.745 -0.925 5.775) 13.121 33.562 ( -1.711 0.273 -10.065) 10.213 33.722 ( -10.631 -3.333 -16.404) 19.830 33.995 ( -18.632 -0.012 11.312) 21.797 35.827 ( 3.994 -0.398 3.565) 5.369 36.063 ( 4.549 -3.278 -1.498) 5.803 36.347 ( 9.251 2.880 -0.228) 9.691 36.714 ( 2.411 6.277 -2.994) 7.361 39.686 ( 10.311 -1.489 -7.617) 12.905 39.898 ( -0.163 -5.324 10.731) 11.980 40.883 ( 1.060 -0.303 4.158) 4.302 41.050 ( 3.005 -2.879 -0.946) 4.268 76.500 ( -1.353 3.049 2.579) 4.216 76.791 ( 0.824 -0.336 -4.359) 4.449 79.650 ( 6.448 7.217 -7.898) 12.491 80.146 ( -12.124 7.884 20.425) 25.027 ======================= Grid point 248 (123/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 19.282 2.193 7.761) 20.901 1.667 ( 12.698 -9.138 -6.162) 16.814 1.934 ( 2.618 9.126 8.693) 12.873 2.146 ( 2.288 5.484 0.302) 5.950 2.235 ( -2.694 1.070 3.986) 4.929 2.609 ( -1.266 -3.928 0.396) 4.146 2.708 ( -3.736 -2.699 -7.225) 8.569 2.798 ( 9.860 -5.442 0.212) 11.265 2.896 ( 6.584 -4.959 -4.822) 9.550 2.947 ( 2.576 -1.838 0.151) 3.168 3.069 ( 0.531 5.929 3.034) 6.681 3.150 ( 1.949 2.634 0.908) 3.400 3.237 ( 2.746 -0.887 0.201) 2.893 3.426 ( -4.745 4.347 -4.021) 7.589 3.471 ( 2.661 0.033 -1.792) 3.209 3.761 ( 1.075 3.658 3.356) 5.079 4.089 ( -3.292 -1.726 -5.475) 6.618 4.126 ( -6.891 3.155 -2.216) 7.896 4.213 ( -3.404 4.076 -2.685) 5.951 4.366 ( 4.442 -7.853 3.288) 9.602 4.445 ( -3.302 -1.883 4.436) 5.842 4.723 ( 2.847 -8.542 1.339) 9.103 4.870 ( -1.932 -2.456 0.632) 3.188 5.061 ( -2.171 -2.264 -3.511) 4.708 5.118 ( -1.172 -2.640 -3.313) 4.395 5.323 ( -4.250 0.829 4.468) 6.222 5.394 ( 0.326 1.991 -0.952) 2.231 5.618 ( -4.038 -1.986 4.315) 6.235 5.691 ( -0.015 1.805 -2.998) 3.499 5.777 ( -0.198 -0.393 0.703) 0.829 5.860 ( 1.642 -0.236 2.504) 3.003 5.937 ( -0.066 0.244 -2.007) 2.023 6.735 ( 0.422 1.816 0.056) 1.866 6.853 ( -3.053 -1.936 0.421) 3.640 7.491 ( -0.610 1.945 1.650) 2.623 7.808 ( -8.571 -1.708 -1.080) 8.806 12.152 ( -0.961 0.439 0.165) 1.069 12.169 ( -1.291 0.622 0.066) 1.435 12.421 ( 0.629 -1.008 1.695) 2.070 12.453 ( 0.157 -0.473 -0.745) 0.896 12.468 ( 0.299 0.796 -1.183) 1.458 12.535 ( -1.592 -0.728 0.570) 1.841 13.523 ( 0.272 1.285 4.186) 4.387 13.651 ( 0.041 -0.973 -3.612) 3.741 15.895 ( 0.554 2.173 3.746) 4.366 15.998 ( 1.012 0.381 -3.780) 3.932 16.659 ( 0.610 -0.684 -0.386) 0.994 16.673 ( -0.092 0.065 0.693) 0.702 16.808 ( -0.074 0.016 -1.209) 1.211 16.855 ( -0.978 0.655 -0.081) 1.180 16.993 ( 0.538 0.559 0.503) 0.925 17.029 ( -0.174 1.676 -0.106) 1.688 17.739 ( 0.649 0.700 -1.551) 1.821 17.787 ( -2.039 1.203 0.591) 2.440 17.909 ( 0.498 -0.013 0.909) 1.036 17.989 ( -0.221 0.144 -1.914) 1.932 24.791 ( 0.521 0.709 3.558) 3.666 24.947 ( -0.663 -0.574 -4.454) 4.540 25.282 ( -0.584 0.418 3.207) 3.287 25.321 ( 0.195 1.184 -1.330) 1.791 28.248 ( 0.655 0.700 -0.430) 1.051 28.273 ( -0.529 0.376 0.382) 0.753 28.403 ( 1.245 0.905 -0.269) 1.563 28.473 ( -0.358 0.334 0.017) 0.490 28.791 ( 0.161 -0.185 -1.921) 1.936 28.828 ( -2.789 0.646 1.398) 3.186 30.863 ( 3.194 1.220 1.977) 3.949 31.035 ( -1.720 -0.342 0.483) 1.819 33.318 ( -6.388 -1.302 0.890) 6.580 33.424 ( -6.495 2.120 -7.502) 10.147 33.545 ( 2.420 -0.604 -11.277) 11.550 33.795 ( -14.557 -2.289 12.606) 19.392 35.927 ( 3.829 0.282 4.545) 5.950 36.107 ( 2.084 -0.496 -3.361) 3.986 36.503 ( 7.745 0.707 0.481) 7.792 36.723 ( 0.584 5.231 -2.096) 5.666 39.801 ( 8.674 -2.483 -7.626) 11.813 39.941 ( -2.782 -4.916 8.849) 10.498 40.932 ( 1.114 -0.597 4.064) 4.256 41.063 ( 0.060 -2.573 -2.311) 3.459 76.518 ( 1.207 2.265 2.808) 3.805 76.748 ( -1.971 -0.245 -4.353) 4.784 79.715 ( 7.199 5.077 -7.826) 11.784 80.037 ( -13.207 4.784 14.373) 20.097 ======================= Grid point 249 (124/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 9.674 -6.932 -4.004) 12.556 1.899 ( 1.169 -0.251 6.378) 6.489 2.122 ( 7.982 8.057 8.139) 13.960 2.165 ( 0.431 8.144 -1.968) 8.389 2.228 ( 5.584 -0.912 3.535) 6.672 2.489 ( -11.144 -2.812 -4.313) 12.276 2.659 ( 3.784 -4.222 2.248) 6.099 2.823 ( -7.968 1.204 -4.153) 9.066 2.979 ( 4.079 -3.563 -3.990) 6.727 2.998 ( 3.866 -6.526 -2.513) 7.991 3.097 ( 1.994 1.958 4.064) 4.932 3.157 ( -1.044 0.607 -0.981) 1.556 3.311 ( 2.302 0.557 1.923) 3.050 3.338 ( -0.184 2.963 -2.461) 3.856 3.550 ( 5.291 -0.509 3.506) 6.367 3.706 ( -7.271 -0.023 -3.866) 8.235 3.980 ( -1.589 6.136 2.123) 6.684 4.032 ( -2.775 5.469 -5.798) 8.440 4.215 ( 3.976 0.634 -0.480) 4.054 4.308 ( -6.741 -1.380 2.137) 7.205 4.578 ( 6.990 -11.652 4.626) 14.353 4.703 ( -4.255 -13.608 -1.671) 14.355 4.918 ( 4.846 0.736 2.485) 5.496 5.034 ( -5.101 -1.040 -3.000) 6.008 5.069 ( 7.388 -0.286 -6.737) 10.003 5.198 ( -11.096 2.773 6.318) 13.066 5.452 ( 6.520 -1.691 -4.537) 8.121 5.543 ( -7.230 -2.122 5.137) 9.119 5.706 ( 2.991 3.165 -1.856) 4.734 5.754 ( -3.017 2.472 1.109) 4.055 5.915 ( 1.091 -1.691 3.608) 4.131 5.937 ( 1.026 -1.379 -2.637) 3.148 6.756 ( 2.370 1.102 -1.161) 2.860 6.800 ( -3.346 -0.306 1.184) 3.562 7.536 ( 3.930 1.270 2.177) 4.668 7.653 ( -7.155 -0.082 -1.944) 7.415 12.144 ( -0.016 0.323 0.060) 0.328 12.151 ( -0.770 0.383 0.020) 0.860 12.439 ( -0.002 -0.573 1.625) 1.723 12.448 ( 0.032 -0.266 -1.107) 1.139 12.479 ( 1.654 0.117 -0.907) 1.890 12.507 ( -1.896 -0.508 0.509) 2.028 13.566 ( 0.749 0.485 4.763) 4.845 13.614 ( -0.678 -0.318 -4.694) 4.753 15.937 ( 0.838 1.497 3.936) 4.294 15.977 ( -0.231 0.865 -3.983) 4.082 16.665 ( 0.550 -0.362 -0.494) 0.823 16.672 ( -0.492 -0.026 0.471) 0.681 16.812 ( 1.086 -0.010 -0.557) 1.220 16.833 ( -1.407 0.226 0.179) 1.436 17.008 ( 0.550 0.826 0.667) 1.195 17.021 ( -0.418 1.250 -0.496) 1.408 17.745 ( 1.129 0.609 -1.290) 1.819 17.760 ( -1.560 0.732 0.977) 1.981 17.933 ( 0.984 0.250 1.773) 2.043 17.964 ( -0.856 0.207 -2.075) 2.254 24.837 ( 1.244 0.069 4.385) 4.558 24.894 ( -1.359 -0.418 -4.726) 4.935 25.297 ( -0.057 0.503 2.362) 2.415 25.312 ( -0.025 0.684 -1.734) 1.864 28.258 ( 0.799 0.792 -0.633) 1.291 28.267 ( -0.688 0.659 0.658) 1.158 28.428 ( 1.614 0.474 -0.027) 1.683 28.457 ( -1.367 0.228 -0.104) 1.390 28.786 ( 0.505 0.298 -0.874) 1.053 28.798 ( -1.438 0.679 0.740) 1.754 30.932 ( 2.734 0.584 2.211) 3.564 30.992 ( -2.372 0.024 -1.604) 2.863 33.259 ( -0.234 -0.022 -0.699) 0.738 33.296 ( -3.984 1.591 -1.527) 4.553 33.559 ( 7.328 -1.273 -10.449) 12.826 33.649 ( -11.309 -2.027 11.203) 16.048 36.023 ( 2.706 0.787 5.112) 5.837 36.090 ( -0.569 0.706 -4.772) 4.857 36.624 ( 5.080 1.369 1.097) 5.374 36.698 ( -2.052 3.308 -1.577) 4.200 39.885 ( 6.709 -3.430 -7.477) 10.615 39.932 ( -4.764 -4.253 7.765) 10.054 40.982 ( 1.267 -1.144 3.869) 4.229 41.031 ( -1.111 -1.856 -3.366) 4.001 76.580 ( 3.066 1.355 3.316) 4.715 76.667 ( -3.437 0.440 -3.917) 5.230 79.798 ( 8.565 3.816 -8.212) 12.464 79.906 ( -10.944 3.604 10.157) 15.360 ======================= Grid point 255 (125/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 1.601 5.454 -6.246) 8.445 1.537 ( -1.601 5.454 6.246) 8.445 1.646 ( 2.897 9.687 -8.020) 12.905 1.646 ( -2.897 9.687 8.020) 12.905 2.149 ( -6.742 -10.135 -4.629) 13.023 2.149 ( 6.742 -10.135 4.629) 13.023 2.574 ( -2.551 -2.702 -11.331) 11.925 2.574 ( 2.551 -2.702 11.331) 11.925 2.870 ( -2.797 -4.583 -3.458) 6.386 2.870 ( 2.797 -4.583 3.458) 6.386 3.011 ( 1.151 10.913 -5.665) 12.350 3.011 ( -1.151 10.913 5.665) 12.350 3.179 ( -0.537 0.781 -2.206) 2.401 3.179 ( 0.537 0.781 2.206) 2.401 3.621 ( -2.236 7.540 -1.044) 7.933 3.621 ( 2.236 7.540 1.044) 7.933 4.218 ( -2.623 2.433 -3.571) 5.055 4.218 ( 2.623 2.433 3.571) 5.055 4.315 ( -2.845 -2.915 -3.176) 5.165 4.315 ( 2.845 -2.915 3.176) 5.165 4.567 ( 3.130 -8.474 -4.904) 10.279 4.567 ( -3.130 -8.474 4.904) 10.279 4.968 ( 10.783 6.176 -7.943) 14.748 4.968 ( -10.783 6.176 7.943) 14.748 5.285 ( -3.105 0.010 -3.956) 5.029 5.285 ( 3.105 0.010 3.956) 5.029 5.586 ( 0.812 -1.061 -3.830) 4.057 5.586 ( -0.812 -1.061 3.830) 4.057 5.735 ( -0.944 1.949 -1.935) 2.904 5.735 ( 0.944 1.949 1.935) 2.904 6.281 ( -1.619 -4.350 -5.355) 7.087 6.281 ( 1.619 -4.350 5.355) 7.087 6.766 ( 4.358 -2.696 -3.100) 5.989 6.766 ( -4.358 -2.696 3.100) 5.989 7.895 ( -2.263 -4.990 -2.694) 6.105 7.895 ( 2.263 -4.990 2.694) 6.105 12.278 ( 0.214 1.242 -0.559) 1.379 12.278 ( -0.214 1.242 0.559) 1.379 12.365 ( 0.755 -1.601 -1.621) 2.400 12.365 ( -0.755 -1.601 1.621) 2.400 12.573 ( -0.334 1.143 -0.446) 1.271 12.573 ( 0.334 1.143 0.446) 1.271 13.567 ( 1.151 1.288 -2.304) 2.880 13.567 ( -1.151 1.288 2.304) 2.880 15.954 ( 1.742 1.457 -2.931) 3.707 15.954 ( -1.742 1.457 2.931) 3.707 16.616 ( 0.218 0.440 -0.831) 0.966 16.616 ( -0.218 0.440 0.831) 0.966 16.835 ( 1.343 1.655 -1.450) 2.577 16.835 ( -1.343 1.655 1.450) 2.577 17.027 ( -0.061 0.325 -1.315) 1.356 17.027 ( 0.061 0.325 1.315) 1.356 17.871 ( -1.445 -0.414 -1.434) 2.077 17.871 ( 1.445 -0.414 1.434) 2.077 17.955 ( -1.084 0.021 -0.718) 1.301 17.955 ( 1.084 0.021 0.718) 1.301 24.932 ( 2.352 2.422 -2.257) 4.061 24.932 ( -2.352 2.422 2.257) 4.061 25.296 ( 2.735 2.004 -3.585) 4.934 25.296 ( -2.735 2.004 3.585) 4.934 28.277 ( -0.212 -0.466 -0.226) 0.560 28.277 ( 0.212 -0.466 0.226) 0.560 28.438 ( 0.212 1.728 -0.956) 1.986 28.438 ( -0.212 1.728 0.956) 1.986 28.886 ( -0.261 -1.774 -3.371) 3.818 28.886 ( 0.261 -1.774 3.371) 3.818 30.756 ( -1.379 0.712 -2.965) 3.346 30.756 ( 1.379 0.712 2.965) 3.346 33.860 ( 1.339 0.814 -15.043) 15.124 33.860 ( -1.339 0.814 15.043) 15.124 34.350 ( -3.912 -8.665 -19.535) 21.725 34.350 ( 3.912 -8.665 19.535) 21.725 35.873 ( -1.352 -2.445 -2.142) 3.520 35.873 ( 1.352 -2.445 2.142) 3.520 36.440 ( -6.994 4.254 -2.257) 8.492 36.440 ( 6.994 4.254 2.257) 8.492 39.426 ( -1.405 0.825 -2.939) 3.361 39.426 ( 1.405 0.825 2.939) 3.361 40.791 ( 2.090 0.296 -2.807) 3.512 40.791 ( -2.090 0.296 2.807) 3.512 76.705 ( 2.198 2.101 -3.850) 4.906 76.705 ( -2.198 2.101 3.850) 4.906 80.124 ( -7.734 19.782 -5.939) 22.055 80.124 ( 7.734 19.782 5.939) 22.055 ======================= Grid point 257 (126/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.952 6.696 -12.447) 14.439 1.549 ( 2.777 5.494 -8.224) 10.273 1.682 ( 3.342 10.282 13.642) 17.406 1.757 ( 4.301 1.713 5.474) 7.169 2.043 ( -1.413 -7.308 -0.945) 7.503 2.282 ( 4.193 -5.782 0.079) 7.143 2.477 ( 4.840 -0.766 -11.985) 12.948 2.606 ( -2.935 -10.036 -4.304) 11.308 2.857 ( 0.865 2.716 3.176) 4.267 2.906 ( -2.517 5.067 5.496) 7.888 2.954 ( 1.270 0.321 0.224) 1.329 3.142 ( 5.922 6.593 3.478) 9.520 3.174 ( 1.097 4.055 0.495) 4.229 3.231 ( 3.107 -3.360 0.964) 4.677 3.618 ( 1.324 6.429 1.288) 6.689 3.717 ( 6.211 8.279 2.549) 10.659 4.121 ( -3.698 2.815 -3.905) 6.070 4.209 ( -4.586 -0.155 -1.962) 4.991 4.309 ( 0.706 0.654 -0.003) 0.962 4.376 ( 2.335 -3.842 4.372) 6.271 4.530 ( -0.600 -5.918 4.064) 7.204 4.637 ( 3.645 -9.733 -2.702) 10.738 4.844 ( -7.341 1.042 6.840) 10.088 5.010 ( -2.605 3.586 -10.231) 11.150 5.183 ( -1.117 1.628 1.427) 2.436 5.385 ( 3.956 3.289 -1.549) 5.372 5.526 ( -1.602 -0.653 -4.527) 4.847 5.624 ( 2.147 -0.588 -0.652) 2.319 5.721 ( -0.389 1.111 1.191) 1.675 5.782 ( 1.313 -0.030 3.287) 3.540 6.118 ( -9.957 -0.761 -4.286) 10.867 6.308 ( -3.123 -4.834 0.585) 5.785 6.723 ( -2.996 -1.098 4.581) 5.583 6.813 ( 2.488 -4.432 -1.574) 5.320 7.784 ( -6.614 -1.866 -0.332) 6.880 7.958 ( 1.364 -6.868 0.693) 7.036 12.266 ( -1.225 1.369 -0.364) 1.873 12.269 ( -1.222 1.306 0.629) 1.896 12.362 ( -0.279 -1.363 0.480) 1.472 12.375 ( 1.162 -2.066 -0.665) 2.462 12.556 ( -1.007 1.302 -0.736) 1.803 12.575 ( -0.363 0.806 0.320) 0.941 13.549 ( -1.488 2.099 1.774) 3.125 13.593 ( 1.626 0.152 -0.219) 1.648 15.941 ( -1.974 2.121 2.630) 3.914 15.964 ( 1.732 0.941 -2.613) 3.273 16.612 ( 0.231 0.613 0.087) 0.661 16.631 ( 0.876 0.034 0.067) 0.879 16.820 ( -0.883 1.197 2.057) 2.538 16.876 ( 2.509 1.461 -0.404) 2.932 17.010 ( -0.691 0.178 -0.726) 1.018 17.041 ( 0.386 0.611 0.639) 0.965 17.829 ( -1.757 0.427 -1.565) 2.392 17.898 ( 0.513 -1.343 0.397) 1.491 17.925 ( -1.464 1.123 0.322) 1.873 17.983 ( 1.139 -0.186 0.003) 1.154 24.877 ( -3.800 3.406 1.998) 5.480 24.970 ( 2.277 0.732 -2.392) 3.383 25.283 ( -2.200 2.022 4.898) 5.737 25.326 ( 2.532 1.802 -1.794) 3.588 28.262 ( -0.809 -0.021 0.055) 0.811 28.286 ( 0.261 -0.740 -0.276) 0.831 28.425 ( -0.378 2.055 -0.372) 2.123 28.455 ( 1.140 1.372 -0.426) 1.834 28.850 ( -0.792 -0.962 -2.857) 3.117 28.906 ( -0.636 -2.056 2.546) 3.333 30.736 ( 0.886 2.149 -0.192) 2.333 30.843 ( 4.469 -0.757 3.966) 6.023 33.740 ( -2.729 0.335 -11.960) 12.272 33.910 ( -4.909 0.826 12.082) 13.067 34.048 ( -12.900 -4.581 -12.034) 18.227 34.492 ( -7.044 -12.691 14.060) 20.207 35.764 ( -5.077 0.099 -2.415) 5.623 35.889 ( -0.218 -3.719 -2.681) 4.589 36.307 ( -0.680 10.528 -0.206) 10.552 36.642 ( 10.252 0.542 -3.420) 10.821 39.440 ( 4.856 1.032 -2.339) 5.487 39.532 ( 6.181 -2.259 4.811) 8.152 40.793 ( 0.186 0.369 3.088) 3.116 40.843 ( 4.863 -0.561 -1.786) 5.211 76.653 ( -3.591 3.377 1.646) 5.197 76.750 ( 3.051 0.530 -2.190) 3.793 79.968 ( -6.590 20.742 -0.611) 21.772 80.295 ( 2.186 14.316 13.429) 19.750 ======================= Grid point 258 (127/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.416 4.209 -6.832) 8.148 1.491 ( 0.611 4.942 -12.357) 13.323 1.852 ( 5.416 10.450 8.918) 14.767 1.922 ( 8.685 -4.494 5.923) 11.432 2.079 ( 3.178 -2.331 3.825) 5.492 2.344 ( 7.562 -3.117 -7.439) 11.056 2.516 ( 1.366 -8.216 -6.645) 10.654 2.567 ( 8.105 -6.041 -4.295) 10.983 2.819 ( -3.014 9.191 -1.368) 9.768 2.958 ( 1.861 3.703 4.490) 6.110 3.017 ( 2.869 -1.073 1.377) 3.358 3.183 ( -0.835 4.458 1.606) 4.811 3.235 ( 1.343 1.547 3.003) 3.635 3.329 ( 5.861 -3.716 3.287) 7.679 3.649 ( -0.426 6.381 2.076) 6.724 3.840 ( 4.408 7.851 0.419) 9.014 4.004 ( -3.443 5.539 -4.111) 7.710 4.177 ( 1.244 -4.139 -0.106) 4.323 4.262 ( -4.146 0.176 0.738) 4.215 4.445 ( 1.576 -3.190 1.706) 3.946 4.552 ( -4.221 -2.061 3.469) 5.839 4.678 ( 4.820 -9.835 1.030) 11.001 4.819 ( -6.365 -0.333 -1.479) 6.543 4.850 ( -0.196 -5.274 -0.089) 5.279 5.159 ( -4.838 0.751 2.655) 5.570 5.412 ( 0.072 1.411 -2.811) 3.146 5.494 ( 3.556 4.707 -8.568) 10.403 5.646 ( -0.274 -0.671 1.488) 1.655 5.719 ( -0.630 -1.724 0.173) 1.843 5.827 ( 2.080 -1.247 1.117) 2.670 5.904 ( -9.401 2.968 -3.094) 10.333 6.190 ( -9.389 -1.784 0.002) 9.557 6.728 ( -0.662 -0.613 4.549) 4.638 6.832 ( 0.673 -4.676 -0.831) 4.797 7.667 ( -6.069 1.247 0.062) 6.196 7.950 ( -2.690 -6.886 0.472) 7.408 12.232 ( -2.077 1.439 -0.265) 2.540 12.245 ( -1.814 1.219 0.463) 2.234 12.364 ( 0.162 -1.214 0.654) 1.389 12.396 ( 1.493 -2.396 -0.537) 2.874 12.529 ( -1.180 1.379 -0.935) 2.042 12.566 ( -0.851 0.362 0.365) 0.994 13.539 ( -1.280 2.435 2.480) 3.704 13.619 ( 1.394 -0.926 -0.341) 1.707 15.926 ( -1.420 2.771 2.218) 3.823 15.980 ( 2.007 0.438 -2.337) 3.111 16.623 ( 0.900 0.281 -0.219) 0.968 16.648 ( 0.713 -0.153 0.528) 0.900 16.826 ( -0.419 0.726 2.110) 2.270 16.902 ( 0.633 0.518 -1.040) 1.323 16.996 ( -0.257 0.780 -0.250) 0.859 17.051 ( 0.197 0.765 0.751) 1.090 17.791 ( -1.101 1.191 -1.617) 2.290 17.893 ( -1.048 -1.554 -0.552) 1.954 17.906 ( -1.148 2.186 0.778) 2.589 17.996 ( 0.635 -0.159 -0.562) 0.863 24.832 ( -2.868 3.403 2.224) 4.975 24.979 ( 0.886 -0.736 -2.866) 3.089 25.284 ( -1.825 1.897 5.094) 5.734 25.351 ( 1.220 1.388 -1.064) 2.133 28.252 ( -0.233 0.374 -0.034) 0.442 28.284 ( -0.116 -0.556 -0.292) 0.639 28.420 ( 0.184 2.179 -0.705) 2.297 28.471 ( 0.952 0.940 -0.390) 1.393 28.821 ( -0.419 -0.211 -2.200) 2.249 28.899 ( -1.965 -1.609 1.932) 3.191 30.774 ( 2.808 3.048 0.831) 4.227 30.950 ( 3.488 -1.690 4.391) 5.857 33.602 ( -4.275 -0.395 -8.798) 9.790 33.749 ( -10.056 -1.961 -11.731) 15.575 33.853 ( -9.184 -0.184 7.206) 11.675 34.285 ( -22.593 -7.893 9.712) 25.828 35.739 ( 3.171 0.943 0.068) 3.309 35.894 ( 3.685 -4.249 -2.043) 5.984 36.364 ( 5.810 10.595 -1.145) 12.137 36.753 ( 5.333 0.992 -3.453) 6.430 39.539 ( 7.850 -0.239 -3.338) 8.534 39.678 ( 4.784 -5.400 6.351) 9.612 40.832 ( 1.063 0.214 3.789) 3.941 40.925 ( 5.112 -2.266 -1.486) 5.786 76.604 ( -2.956 4.278 1.341) 5.370 76.777 ( 1.826 -0.960 -2.612) 3.328 79.881 ( -3.116 17.679 0.136) 17.952 80.359 ( -7.499 7.901 16.280) 19.589 ======================= Grid point 259 (128/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 7.021 -0.581 -0.618) 7.072 1.476 ( 8.643 5.249 -9.715) 14.022 2.010 ( 5.308 11.109 7.867) 14.611 2.085 ( 7.764 -5.101 -0.935) 9.337 2.163 ( 0.388 -3.571 6.158) 7.129 2.445 ( 10.016 -6.179 -4.282) 12.524 2.595 ( 9.642 -3.897 -5.277) 11.662 2.656 ( 1.863 -1.271 -3.254) 3.959 2.772 ( 1.304 0.380 -1.305) 1.884 2.975 ( -2.656 0.500 -3.213) 4.198 3.078 ( 3.968 2.010 3.057) 5.397 3.181 ( -0.566 4.283 3.160) 5.352 3.264 ( 0.298 2.745 1.231) 3.023 3.429 ( 2.503 0.536 1.075) 2.777 3.620 ( -4.470 6.151 4.059) 8.620 3.842 ( -0.162 5.968 -2.118) 6.335 4.042 ( 6.409 0.723 0.575) 6.475 4.139 ( -4.163 -5.243 -2.815) 7.263 4.254 ( 0.470 2.144 1.924) 2.919 4.442 ( -2.189 -4.650 -0.837) 5.207 4.457 ( -6.924 1.529 1.733) 7.300 4.640 ( -5.751 -0.158 -1.173) 5.871 4.786 ( 2.035 -9.810 -3.762) 10.702 4.931 ( 4.276 -8.424 5.367) 10.865 5.080 ( -5.352 -1.858 3.508) 6.663 5.341 ( -3.836 -1.718 -4.557) 6.199 5.501 ( 0.915 4.167 -3.018) 5.226 5.632 ( -3.019 -0.655 2.192) 3.788 5.704 ( -0.379 -0.984 -0.388) 1.124 5.790 ( -1.822 2.459 -0.271) 3.072 5.868 ( 2.000 0.542 -0.945) 2.277 6.019 ( -7.868 0.290 -0.742) 7.908 6.747 ( -0.502 -0.021 3.233) 3.272 6.832 ( -0.037 -3.173 -0.602) 3.230 7.578 ( -3.969 3.196 0.717) 5.146 7.875 ( -5.545 -5.402 -0.106) 7.742 12.194 ( -1.910 1.219 -0.240) 2.278 12.213 ( -1.992 0.902 0.316) 2.209 12.378 ( 0.633 -1.101 0.999) 1.616 12.416 ( 1.181 -2.373 -0.622) 2.723 12.504 ( -0.796 1.443 -0.857) 1.858 12.550 ( -1.208 0.066 0.430) 1.284 13.539 ( -0.871 2.249 2.954) 3.814 13.634 ( 0.836 -1.495 -1.260) 2.126 15.926 ( -0.286 2.975 1.979) 3.584 15.999 ( 1.787 0.158 -2.320) 2.932 16.637 ( 0.856 -0.145 -0.410) 0.960 16.663 ( 0.416 -0.264 0.705) 0.860 16.827 ( -0.790 0.610 0.994) 1.409 16.887 ( -0.829 0.087 -1.383) 1.615 16.998 ( 0.295 1.256 0.359) 1.339 17.058 ( -0.103 0.810 0.687) 1.067 17.767 ( -0.316 1.435 -1.496) 2.097 17.853 ( -2.520 0.179 -0.432) 2.563 17.903 ( 0.112 1.342 0.625) 1.485 17.999 ( 0.212 -0.313 -0.960) 1.032 24.809 ( -1.528 2.718 2.513) 4.005 24.963 ( -0.213 -1.518 -3.113) 3.470 25.289 ( -1.486 1.601 4.553) 5.050 25.353 ( 0.192 0.989 -1.469) 1.781 28.254 ( 0.424 0.685 -0.083) 0.810 28.281 ( -0.061 -0.102 -0.014) 0.120 28.420 ( 0.451 1.971 -0.713) 2.143 28.481 ( 0.362 0.425 -0.306) 0.637 28.803 ( -0.124 0.277 -1.450) 1.481 28.869 ( -2.460 -0.749 1.327) 2.894 30.836 ( 2.989 3.039 1.343) 4.469 31.015 ( 0.826 -1.795 2.577) 3.247 33.446 ( -6.904 -0.291 -6.118) 9.230 33.554 ( -1.780 -1.568 -12.500) 12.723 33.697 ( -11.018 1.324 1.522) 11.201 33.957 ( -20.413 -3.953 11.519) 23.770 35.830 ( 5.119 0.821 2.430) 5.726 35.985 ( 6.455 -4.308 -0.512) 7.778 36.467 ( 6.570 8.748 -1.963) 11.115 36.797 ( 2.371 1.780 -2.950) 4.183 39.654 ( 7.548 -1.587 -3.953) 8.667 39.781 ( 1.794 -6.364 5.959) 8.901 40.878 ( 0.907 -0.047 3.832) 3.938 40.988 ( 2.938 -3.419 -1.726) 4.827 76.573 ( -1.379 4.418 1.213) 4.785 76.774 ( -0.002 -1.630 -2.918) 3.342 79.848 ( -0.339 13.051 -1.181) 13.108 80.274 ( -13.087 4.070 13.385) 19.158 ======================= Grid point 260 (129/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 13.310 -3.167 -3.071) 14.022 1.697 ( 17.147 5.245 2.703) 18.134 2.134 ( 1.062 8.683 6.162) 10.701 2.197 ( 1.656 -1.536 4.103) 4.684 2.204 ( 5.741 -2.890 -0.366) 6.438 2.562 ( -2.893 0.393 -2.863) 4.089 2.622 ( 4.696 -6.982 -8.902) 12.249 2.691 ( 4.501 -2.865 0.010) 5.335 2.827 ( 3.993 -2.428 -3.080) 5.597 2.896 ( -0.251 -3.853 0.555) 3.901 3.160 ( 0.121 3.741 2.768) 4.655 3.226 ( 4.370 1.168 0.980) 4.628 3.253 ( -2.453 5.929 -0.300) 6.423 3.474 ( 2.901 0.962 0.569) 3.109 3.521 ( -7.323 4.981 -0.871) 8.899 3.841 ( -1.768 4.347 0.409) 4.711 4.050 ( -1.324 -4.897 -2.708) 5.751 4.179 ( 6.326 -1.583 1.972) 6.812 4.223 ( -4.944 2.982 3.037) 6.524 4.345 ( -3.744 5.330 -4.827) 8.107 4.399 ( -3.041 -3.615 2.850) 5.517 4.548 ( -5.572 -6.398 1.597) 8.633 4.795 ( 4.562 -6.773 -5.199) 9.681 4.978 ( -0.601 -6.856 -1.279) 7.000 5.052 ( -0.666 -2.392 0.794) 2.606 5.262 ( -3.485 -5.532 1.476) 6.703 5.459 ( -4.039 2.723 0.467) 4.893 5.571 ( -5.358 -2.731 2.984) 6.714 5.723 ( 1.667 2.059 1.699) 3.147 5.792 ( 1.655 1.212 -0.787) 2.197 5.878 ( 0.328 1.809 -0.495) 1.904 5.937 ( -0.935 -0.273 -1.813) 2.058 6.758 ( 0.049 0.577 1.415) 1.529 6.820 ( -0.801 -1.267 -0.501) 1.580 7.541 ( -0.867 3.367 1.316) 3.717 7.762 ( -6.401 -3.102 -0.747) 7.153 12.164 ( -1.099 0.841 -0.266) 1.409 12.182 ( -1.702 0.560 0.285) 1.814 12.399 ( 0.761 -1.150 1.262) 1.869 12.428 ( 0.705 -1.996 -0.888) 2.296 12.490 ( -0.120 1.385 -0.716) 1.564 12.530 ( -1.459 0.073 0.475) 1.536 13.552 ( -0.293 1.561 3.300) 3.663 13.629 ( 0.133 -1.336 -2.440) 2.785 15.943 ( 0.547 2.624 2.019) 3.356 16.006 ( 0.928 0.354 -2.452) 2.645 16.648 ( 0.734 -0.351 -0.421) 0.916 16.671 ( -0.093 -0.397 0.582) 0.711 16.816 ( -0.383 0.796 -0.387) 0.965 16.862 ( -1.242 0.029 -0.327) 1.284 17.010 ( 0.570 1.167 0.580) 1.422 17.055 ( -0.522 0.839 0.240) 1.017 17.757 ( 0.293 1.212 -1.238) 1.757 17.808 ( -2.212 0.602 -0.086) 2.294 17.917 ( 0.696 1.093 1.072) 1.682 17.989 ( -0.363 -0.262 -1.317) 1.391 24.813 ( -0.228 1.645 2.882) 3.326 24.928 ( -0.999 -1.489 -3.281) 3.739 25.297 ( -0.963 1.187 3.755) 4.054 25.341 ( -0.052 0.674 -2.020) 2.130 28.264 ( 0.759 0.908 -0.157) 1.194 28.281 ( -0.072 0.379 0.325) 0.505 28.426 ( 0.716 1.428 -0.492) 1.672 28.478 ( -0.501 0.055 -0.316) 0.595 28.795 ( 0.115 0.614 -0.761) 0.985 28.836 ( -2.004 0.071 0.751) 2.141 30.896 ( 2.402 2.178 1.649) 3.637 31.021 ( -1.054 -1.223 0.161) 1.623 33.311 ( -2.955 0.791 -5.228) 6.058 33.448 ( -4.291 -0.298 -6.639) 7.911 33.542 ( -3.179 0.954 -3.409) 4.758 33.735 ( -14.497 -3.917 12.031) 19.241 35.944 ( 5.010 1.534 3.442) 6.269 36.080 ( 4.054 -2.172 -1.001) 4.707 36.570 ( 6.282 5.879 -1.242) 8.693 36.798 ( -0.121 2.036 -2.528) 3.248 39.746 ( 5.965 -2.878 -4.011) 7.743 39.831 ( -0.528 -6.008 4.949) 7.802 40.919 ( 0.679 -0.608 3.617) 3.730 41.005 ( 0.768 -3.312 -2.442) 4.186 76.575 ( 0.630 3.610 1.420) 3.929 76.736 ( -1.786 -1.130 -2.856) 3.553 79.850 ( 2.073 8.684 -2.592) 9.297 80.119 ( -12.507 2.889 9.101) 15.736 ======================= Grid point 261 (130/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 15.302 0.684 -3.111) 15.630 1.943 ( -1.953 4.850 5.612) 7.670 2.186 ( 7.479 -3.007 4.742) 9.352 2.256 ( 2.926 1.807 -0.015) 3.439 2.282 ( 0.546 4.033 0.540) 4.106 2.431 ( -11.297 -2.937 -7.434) 13.839 2.583 ( 7.191 -1.536 6.399) 9.748 2.816 ( -6.338 -2.102 -8.188) 10.566 2.872 ( 6.219 -5.290 4.227) 9.194 2.914 ( 4.165 -3.183 -4.342) 6.807 3.134 ( -1.876 1.718 1.796) 3.114 3.176 ( -4.197 1.669 -0.862) 4.598 3.310 ( 3.448 -0.658 1.063) 3.667 3.384 ( -3.939 0.742 -2.948) 4.976 3.585 ( 5.044 4.874 5.320) 8.803 3.730 ( -6.878 3.254 -4.545) 8.863 4.083 ( 3.110 1.903 2.909) 4.664 4.154 ( -2.674 5.036 -1.671) 5.941 4.257 ( -0.470 -0.625 1.349) 1.560 4.267 ( -1.733 1.577 -1.616) 2.846 4.400 ( 1.981 -4.900 2.341) 5.780 4.467 ( -3.714 -9.135 -0.797) 9.893 4.867 ( 5.610 -5.001 -1.447) 7.653 4.963 ( -4.546 -5.129 1.185) 6.955 5.040 ( 7.292 -3.105 -7.310) 10.782 5.174 ( -10.112 -5.384 5.642) 12.770 5.437 ( 2.659 -0.020 -1.185) 2.912 5.498 ( -5.017 -2.434 2.648) 6.173 5.770 ( 1.765 3.316 2.395) 4.455 5.807 ( -0.060 2.697 -1.524) 3.099 5.893 ( 1.152 -0.446 0.606) 1.376 5.916 ( -0.479 -0.687 -1.448) 1.673 6.774 ( 1.004 0.698 0.285) 1.255 6.797 ( -1.348 0.046 -0.234) 1.369 7.567 ( 2.529 1.889 1.486) 3.489 7.648 ( -5.231 -0.509 -1.242) 5.400 12.152 ( -0.018 0.509 -0.294) 0.589 12.159 ( -0.997 0.397 0.296) 1.114 12.419 ( 0.385 -1.284 1.283) 1.856 12.429 ( 0.230 -1.531 -1.083) 1.889 12.491 ( 0.768 1.000 -0.684) 1.434 12.507 ( -1.427 0.409 0.557) 1.585 13.576 ( 0.201 0.528 3.478) 3.523 13.606 ( -0.296 -0.556 -3.253) 3.313 15.971 ( 0.678 1.874 2.250) 3.006 15.996 ( -0.090 1.011 -2.454) 2.656 16.658 ( 0.746 -0.372 -0.375) 0.914 16.668 ( -0.598 -0.398 0.404) 0.824 16.817 ( 0.859 0.548 -0.420) 1.102 16.837 ( -1.450 0.166 0.142) 1.467 17.026 ( 0.772 1.015 0.553) 1.390 17.043 ( -0.777 0.903 -0.255) 1.219 17.760 ( 0.852 0.908 -0.886) 1.528 17.776 ( -1.499 0.724 0.437) 1.721 17.941 ( 0.922 0.642 1.441) 1.827 17.968 ( -0.798 0.104 -1.523) 1.722 24.841 ( 0.756 0.408 3.207) 3.320 24.883 ( -1.210 -0.743 -3.345) 3.634 25.309 ( -0.437 0.776 3.030) 3.158 25.325 ( 0.088 0.570 -2.482) 2.548 28.276 ( 0.634 0.974 -0.319) 1.206 28.281 ( -0.299 0.783 0.440) 0.947 28.440 ( 1.067 0.701 -0.107) 1.281 28.461 ( -1.104 0.141 -0.227) 1.136 28.797 ( 0.547 0.751 -0.295) 0.975 28.811 ( -1.209 0.576 0.314) 1.376 30.946 ( 1.921 0.932 1.742) 2.756 30.990 ( -1.681 -0.262 -1.301) 2.141 33.271 ( 1.679 1.304 -2.839) 3.547 33.325 ( -5.356 1.347 -0.144) 5.524 33.528 ( 5.094 -1.680 -7.779) 9.449 33.598 ( -9.752 -3.099 9.859) 14.209 36.047 ( 3.304 1.698 3.635) 5.198 36.102 ( -0.041 0.486 -2.689) 2.732 36.672 ( 5.204 3.348 0.557) 6.213 36.755 ( -2.872 2.258 -1.894) 4.115 39.808 ( 4.156 -4.099 -3.960) 7.054 39.838 ( -2.387 -5.169 4.216) 7.085 40.955 ( 0.596 -1.482 3.367) 3.727 40.987 ( -0.309 -2.488 -3.026) 3.930 76.614 ( 2.210 2.082 1.895) 3.579 76.675 ( -2.670 0.300 -2.449) 3.636 79.889 ( 5.082 5.403 -3.932) 8.395 79.979 ( -8.909 3.449 5.889) 11.222 ======================= Grid point 267 (131/136) ======================= 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -2.411 7.985 -7.101) 10.954 1.656 ( 2.411 7.985 7.101) 10.954 1.787 ( -2.812 -0.958 -6.273) 6.941 1.787 ( 2.812 -0.958 6.273) 6.941 2.002 ( -3.751 -1.069 -3.327) 5.126 2.002 ( 3.751 -1.069 3.327) 5.126 2.433 ( 0.758 -8.360 -1.332) 8.500 2.433 ( -0.758 -8.360 1.332) 8.500 2.833 ( -0.313 -0.341 -0.420) 0.625 2.833 ( 0.313 -0.341 0.420) 0.625 3.170 ( 3.376 4.626 -3.588) 6.758 3.170 ( -3.376 4.626 3.588) 6.758 3.199 ( 1.978 0.636 -3.419) 4.000 3.199 ( -1.978 0.636 3.419) 4.000 3.838 ( -1.924 14.642 -4.574) 15.460 3.838 ( 1.924 14.642 4.574) 15.460 4.153 ( -1.729 -11.743 -4.202) 12.592 4.153 ( 1.729 -11.743 4.202) 12.592 4.299 ( 0.875 2.725 -4.004) 4.922 4.299 ( -0.875 2.725 4.004) 4.922 4.425 ( 2.002 -5.037 -5.004) 7.377 4.425 ( -2.002 -5.037 5.004) 7.377 5.078 ( 7.665 4.634 -6.099) 10.837 5.078 ( -7.665 4.634 6.099) 10.837 5.239 ( 1.669 -3.406 -2.641) 4.621 5.239 ( -1.669 -3.406 2.641) 4.621 5.575 ( 0.661 -0.225 -0.835) 1.089 5.575 ( -0.661 -0.225 0.835) 1.089 5.785 ( -0.832 2.091 -2.494) 3.359 5.785 ( 0.832 2.091 2.494) 3.359 6.221 ( -1.011 -1.765 -2.872) 3.519 6.221 ( 1.011 -1.765 2.872) 3.519 6.726 ( 1.327 -1.232 -1.008) 2.073 6.726 ( -1.327 -1.232 1.008) 2.073 7.826 ( -0.684 -2.026 -0.799) 2.282 7.826 ( 0.684 -2.026 0.799) 2.282 12.303 ( 0.378 1.371 -0.770) 1.617 12.303 ( -0.378 1.371 0.770) 1.617 12.336 ( 0.536 -1.426 -1.013) 1.829 12.336 ( -0.536 -1.426 1.013) 1.829 12.588 ( -0.141 0.440 -0.146) 0.485 12.588 ( 0.141 0.440 0.146) 0.485 13.583 ( 0.517 0.437 -0.972) 1.184 13.583 ( -0.517 0.437 0.972) 1.184 15.972 ( 0.534 0.466 -1.071) 1.284 15.972 ( -0.534 0.466 1.071) 1.284 16.620 ( 0.144 0.049 -0.277) 0.316 16.620 ( -0.144 0.049 0.277) 0.316 16.863 ( 0.290 0.938 -0.570) 1.135 16.863 ( -0.290 0.938 0.570) 1.135 17.029 ( -0.179 -0.021 -0.545) 0.574 17.029 ( 0.179 -0.021 0.545) 0.574 17.865 ( -0.602 -0.182 -0.622) 0.885 17.865 ( 0.602 -0.182 0.622) 0.885 17.955 ( -0.349 0.007 -0.329) 0.479 17.955 ( 0.349 0.007 0.329) 0.479 24.960 ( 1.160 0.683 -1.139) 1.763 24.960 ( -1.160 0.683 1.139) 1.763 25.327 ( 1.133 0.991 -1.323) 2.004 25.327 ( -1.133 0.991 1.323) 2.004 28.271 ( -0.104 -0.191 -0.074) 0.230 28.271 ( 0.104 -0.191 0.074) 0.230 28.464 ( 0.043 0.837 -0.436) 0.945 28.464 ( -0.043 0.837 0.436) 0.945 28.859 ( -0.101 -0.823 -1.351) 1.585 28.859 ( 0.101 -0.823 1.351) 1.585 30.766 ( -0.407 0.282 -1.140) 1.243 30.766 ( 0.407 0.282 1.140) 1.243 33.873 ( 0.161 0.432 -7.115) 7.130 33.873 ( -0.161 0.432 7.115) 7.130 34.238 ( -1.569 -3.043 -9.436) 10.037 34.238 ( 1.569 -3.043 9.436) 10.037 35.839 ( -0.533 -0.966 -0.879) 1.411 35.839 ( 0.533 -0.966 0.879) 1.411 36.493 ( -2.260 1.373 -0.956) 2.812 36.493 ( 2.260 1.373 0.956) 2.812 39.439 ( -0.409 0.409 -1.003) 1.158 39.439 ( 0.409 0.409 1.003) 1.158 40.796 ( 0.769 0.132 -1.004) 1.272 40.796 ( -0.769 0.132 1.004) 1.272 76.730 ( 0.694 0.630 -1.413) 1.696 76.730 ( -0.694 0.630 1.413) 1.696 80.392 ( -3.047 7.603 -2.353) 8.522 80.392 ( 3.047 7.603 2.353) 8.522 ======================= Grid point 269 (132/136) ======================= q-point: ( 0.09 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -5.739 4.578 -2.865) 7.881 1.639 ( -5.382 -4.946 -5.965) 9.435 1.807 ( 6.512 9.556 -0.694) 11.584 1.904 ( 4.434 10.315 6.350) 12.899 1.973 ( 1.322 -1.103 2.155) 2.759 2.124 ( 5.220 -9.436 5.916) 12.300 2.400 ( 0.676 -5.221 -7.137) 8.869 2.423 ( 1.622 -7.541 -7.733) 10.922 2.881 ( 3.596 1.028 4.825) 6.105 2.899 ( 5.185 -0.829 3.509) 6.315 3.108 ( -3.882 7.708 0.696) 8.659 3.190 ( 0.136 -0.925 0.775) 1.214 3.214 ( 1.816 0.728 -1.326) 2.363 3.224 ( 2.116 0.543 -1.604) 2.710 3.800 ( 0.128 12.712 -1.779) 12.837 3.927 ( 3.967 11.135 2.637) 12.112 4.080 ( -2.803 -8.709 -0.720) 9.178 4.163 ( -2.558 -5.032 0.122) 5.646 4.296 ( 0.605 2.113 -1.454) 2.635 4.369 ( 5.596 0.515 1.000) 5.708 4.419 ( 0.544 -6.411 -0.648) 6.467 4.450 ( 1.696 -5.985 1.553) 6.412 4.915 ( -12.163 5.485 6.076) 14.661 5.010 ( -10.336 -3.503 0.326) 10.918 5.249 ( 4.003 5.175 -2.931) 7.169 5.352 ( 5.422 -5.032 -2.877) 7.937 5.565 ( 1.557 2.943 -2.086) 3.929 5.606 ( 2.707 -1.482 -2.035) 3.697 5.729 ( -2.299 1.925 -2.959) 4.213 5.781 ( -1.599 -2.060 -0.821) 2.734 6.142 ( -6.326 3.479 0.529) 7.239 6.223 ( -3.768 -4.513 3.013) 6.606 6.713 ( -1.226 0.399 2.717) 3.007 6.743 ( 0.631 -2.788 0.518) 2.905 7.779 ( -3.182 1.552 0.126) 3.543 7.843 ( -0.051 -5.048 -0.032) 5.049 12.291 ( -1.297 1.213 0.055) 1.777 12.294 ( -1.243 1.113 0.073) 1.670 12.337 ( 0.079 -1.067 0.432) 1.154 12.342 ( 0.818 -1.423 -0.672) 1.774 12.576 ( -0.877 0.794 -0.463) 1.271 12.584 ( -0.605 0.047 -0.131) 0.620 13.579 ( -0.605 1.095 1.113) 1.674 13.592 ( 0.487 -0.311 0.100) 0.586 15.968 ( -0.459 0.898 0.540) 1.144 15.976 ( 0.559 0.117 -0.802) 0.984 16.622 ( 0.344 0.429 0.148) 0.570 16.628 ( 0.637 -0.285 0.045) 0.699 16.852 ( -0.692 1.959 1.181) 2.390 16.882 ( 0.838 -0.861 0.101) 1.206 17.022 ( -0.169 1.022 -0.069) 1.038 17.040 ( 0.421 -0.661 0.354) 0.859 17.843 ( -0.949 1.120 -1.059) 1.810 17.869 ( -0.243 -1.560 -0.294) 1.606 17.950 ( -0.190 1.338 0.642) 1.496 17.972 ( 0.775 -0.929 0.303) 1.247 24.932 ( -2.422 2.343 1.068) 3.536 24.965 ( -0.032 -1.122 -1.000) 1.503 25.323 ( -0.871 1.904 2.425) 3.204 25.343 ( 1.029 -0.087 0.022) 1.033 28.264 ( -0.316 0.293 -0.036) 0.432 28.273 ( 0.059 -0.590 -0.130) 0.607 28.460 ( 0.124 1.413 -0.708) 1.586 28.472 ( 0.674 0.188 -0.616) 0.932 28.844 ( -0.562 0.459 -0.751) 1.045 28.868 ( -0.386 -1.858 1.242) 2.268 30.779 ( 2.131 2.324 0.748) 3.241 30.819 ( 3.555 -1.788 2.064) 4.483 33.765 ( -2.991 2.456 -12.475) 13.061 33.836 ( -3.417 -5.036 -9.012) 10.875 34.110 ( -10.774 7.435 7.968) 15.325 34.277 ( -8.813 -10.203 13.987) 19.427 35.780 ( -2.625 1.613 -1.922) 3.631 35.824 ( -1.135 -3.025 -1.985) 3.792 36.485 ( 3.337 8.114 -0.897) 8.819 36.604 ( 7.632 -4.404 -1.952) 9.025 39.463 ( 3.564 1.470 -0.176) 3.859 39.494 ( 4.129 -1.795 1.757) 4.833 40.807 ( 1.153 1.042 1.383) 2.080 40.828 ( 2.886 -1.058 -0.340) 3.092 76.708 ( -1.494 2.423 0.153) 2.851 76.743 ( 0.781 -1.228 -1.004) 1.768 80.305 ( -6.712 13.497 3.114) 15.393 80.436 ( -2.924 0.127 7.952) 8.474 ======================= Grid point 270 (133/136) ======================= q-point: ( 0.18 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -3.454 5.637 -3.094) 7.299 1.525 ( -1.187 -4.130 -7.507) 8.650 1.898 ( 5.399 5.305 0.002) 7.570 2.020 ( 2.412 -3.746 2.414) 5.067 2.074 ( 6.499 9.929 7.300) 13.932 2.246 ( 4.669 -7.145 0.914) 8.584 2.398 ( 6.188 -3.077 -6.672) 9.606 2.438 ( 7.515 -6.332 -5.945) 11.485 2.955 ( -0.920 4.807 -0.565) 4.926 3.003 ( 1.484 -0.767 0.415) 1.721 3.087 ( 2.141 8.249 3.492) 9.210 3.207 ( 0.614 -3.319 0.783) 3.465 3.238 ( 2.253 0.495 0.265) 2.322 3.267 ( 4.313 -2.360 2.797) 5.656 3.796 ( -0.992 9.239 0.892) 9.335 3.958 ( -2.128 -2.840 -1.246) 3.762 4.070 ( 1.007 1.126 1.963) 2.477 4.103 ( -2.480 2.149 -2.503) 4.127 4.291 ( 0.528 3.837 -2.295) 4.502 4.415 ( -0.176 -3.578 0.876) 3.687 4.487 ( 6.010 -6.103 -2.388) 8.892 4.516 ( 3.183 -3.196 3.860) 5.937 4.763 ( -9.078 1.171 6.706) 11.347 4.825 ( -10.269 -3.153 1.765) 10.887 5.223 ( -4.019 6.407 -2.777) 8.057 5.362 ( -1.731 -6.515 -4.596) 8.159 5.586 ( 1.827 3.746 -4.507) 6.138 5.624 ( 0.165 -1.205 -1.193) 1.703 5.697 ( 1.492 1.304 -1.192) 2.313 5.764 ( 2.071 -4.442 -2.050) 5.313 6.014 ( -8.274 6.921 1.952) 10.962 6.130 ( -8.210 -4.853 2.027) 9.750 6.726 ( 0.010 0.749 3.306) 3.390 6.760 ( 0.657 -2.844 1.115) 3.125 7.718 ( -3.638 4.272 0.247) 5.617 7.822 ( -2.291 -6.468 0.064) 6.862 12.258 ( -2.163 1.089 -0.263) 2.436 12.264 ( -2.170 0.549 0.266) 2.254 12.346 ( 0.649 -0.448 0.333) 0.856 12.357 ( 1.207 -1.542 -0.351) 1.990 12.553 ( -1.132 1.100 -0.581) 1.682 12.567 ( -0.996 -0.329 -0.175) 1.063 13.577 ( -0.669 1.579 1.537) 2.303 13.601 ( 0.356 -1.022 0.252) 1.111 15.966 ( -0.087 1.481 0.415) 1.540 15.983 ( 0.970 -0.321 -0.940) 1.389 16.632 ( 0.653 0.567 -0.101) 0.871 16.642 ( 0.684 -0.456 0.239) 0.856 16.851 ( -0.590 1.867 1.445) 2.434 16.887 ( -0.269 -1.678 -0.056) 1.701 17.023 ( 0.144 1.674 0.220) 1.694 17.049 ( 0.234 -0.913 0.503) 1.068 17.819 ( -0.776 1.807 -1.209) 2.308 17.856 ( -0.684 -2.030 -0.861) 2.308 17.950 ( -0.505 2.134 0.768) 2.324 17.983 ( 0.223 -1.266 0.090) 1.289 24.895 ( -2.449 3.206 1.225) 4.216 24.948 ( -0.923 -2.343 -0.922) 2.682 25.326 ( -0.969 2.250 2.648) 3.608 25.357 ( 0.157 -0.784 0.402) 0.895 28.261 ( 0.064 0.572 -0.062) 0.579 28.273 ( 0.108 -0.619 -0.136) 0.643 28.458 ( 0.337 1.720 -0.970) 2.003 28.478 ( 0.602 -0.345 -0.839) 1.089 28.830 ( -0.587 1.215 -0.341) 1.392 28.863 ( -1.081 -2.044 1.087) 2.554 30.839 ( 3.232 3.628 1.372) 5.049 30.904 ( 3.587 -3.129 2.459) 5.357 33.612 ( -3.483 1.642 -12.739) 13.308 33.666 ( -4.122 -4.071 -15.248) 16.312 33.955 ( -15.317 7.872 12.981) 21.566 34.119 ( -18.591 -9.233 13.025) 24.505 35.770 ( 2.978 2.326 -0.673) 3.838 35.823 ( 3.124 -3.322 -1.329) 4.750 36.562 ( 5.596 9.756 -2.051) 11.433 36.709 ( 5.791 -5.454 -2.831) 8.444 39.547 ( 5.460 1.282 -0.220) 5.613 39.592 ( 4.653 -3.527 2.346) 6.292 40.847 ( 1.805 1.461 1.797) 2.937 40.883 ( 3.214 -2.186 -0.283) 3.897 76.681 ( -1.458 3.795 -0.145) 4.067 76.743 ( 0.159 -2.685 -1.387) 3.027 80.202 ( -7.880 14.826 4.786) 17.459 80.392 ( -9.088 -4.574 9.809) 14.133 ======================= Grid point 271 (134/136) ======================= q-point: ( 0.27 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 5.707 6.465 -2.745) 9.050 1.525 ( 7.861 -3.315 -5.951) 10.402 1.998 ( 5.572 0.396 -0.796) 5.642 2.078 ( 2.745 -5.287 0.558) 5.983 2.216 ( 5.080 8.678 4.595) 11.056 2.341 ( 7.409 -5.252 -1.506) 9.206 2.531 ( 10.710 -0.800 -2.280) 10.979 2.586 ( 9.593 -5.245 -0.989) 10.978 2.854 ( -6.143 5.895 -4.076) 9.439 2.940 ( -5.881 -3.191 -3.865) 7.727 3.165 ( 3.145 4.868 1.822) 6.075 3.218 ( 0.932 -0.418 0.192) 1.040 3.327 ( 4.345 4.007 4.892) 7.673 3.403 ( 4.839 -3.318 4.878) 7.630 3.749 ( -5.471 7.455 1.516) 9.371 3.881 ( -3.415 -4.401 -2.112) 5.957 4.039 ( -3.742 1.757 -1.074) 4.271 4.099 ( 0.999 -1.507 0.221) 1.822 4.289 ( 1.879 4.350 -3.775) 6.058 4.416 ( -0.552 -3.914 1.075) 4.097 4.494 ( -5.202 4.013 3.113) 7.270 4.585 ( 0.308 -3.259 -1.255) 3.506 4.671 ( -4.589 -1.217 1.997) 5.150 4.759 ( 1.974 -8.683 3.588) 9.600 5.118 ( -4.790 5.559 -1.030) 7.410 5.251 ( -5.276 -7.162 -4.629) 10.028 5.559 ( -2.160 2.211 -1.074) 3.272 5.598 ( -2.840 -2.118 0.219) 3.550 5.737 ( 2.206 3.472 -0.411) 4.134 5.796 ( 0.960 -2.163 -0.333) 2.389 5.914 ( -2.383 4.362 -0.059) 4.971 5.993 ( -6.638 -3.231 0.112) 7.383 6.751 ( 0.432 0.901 2.179) 2.397 6.782 ( 0.918 -2.208 0.751) 2.506 7.658 ( -3.285 5.204 0.492) 6.174 7.766 ( -3.836 -6.037 0.048) 7.153 12.216 ( -2.205 0.976 -0.257) 2.425 12.224 ( -2.324 0.147 0.181) 2.336 12.364 ( 0.924 -0.179 0.493) 1.063 12.377 ( 1.211 -1.573 -0.304) 2.008 12.531 ( -0.921 1.250 -0.451) 1.617 12.548 ( -1.077 -0.497 -0.059) 1.187 13.577 ( -0.632 1.727 1.649) 2.470 13.606 ( 0.118 -1.447 -0.054) 1.453 15.972 ( 0.489 1.871 0.269) 1.952 15.995 ( 1.171 -0.632 -1.048) 1.694 16.641 ( 0.543 0.564 -0.245) 0.821 16.654 ( 0.431 -0.657 0.202) 0.811 16.847 ( -0.896 1.416 0.973) 1.938 16.874 ( -0.943 -1.257 -0.208) 1.585 17.028 ( 0.181 1.709 0.379) 1.760 17.055 ( -0.004 -0.976 0.564) 1.127 17.798 ( -0.605 1.825 -1.201) 2.267 17.833 ( -1.175 -1.722 -0.979) 2.303 17.946 ( -0.419 2.429 0.656) 2.551 17.983 ( -0.146 -1.416 -0.164) 1.432 24.866 ( -1.816 3.131 1.308) 3.848 24.922 ( -1.250 -2.707 -0.883) 3.110 25.325 ( -1.065 1.990 2.270) 3.201 25.354 ( -0.515 -0.876 -0.008) 1.016 28.267 ( 0.532 0.644 0.027) 0.835 28.277 ( 0.349 -0.379 0.055) 0.519 28.456 ( 0.214 1.708 -0.914) 1.949 28.480 ( 0.157 -0.684 -0.782) 1.051 28.819 ( -0.480 1.314 -0.103) 1.403 28.847 ( -1.330 -1.501 0.785) 2.154 30.901 ( 2.428 3.674 1.276) 4.585 30.967 ( 1.693 -3.207 1.553) 3.945 33.462 ( -3.276 1.933 -11.487) 12.101 33.509 ( -1.512 -2.808 -13.251) 13.629 33.760 ( -15.061 4.781 9.876) 18.634 33.862 ( -18.573 -5.705 11.865) 22.766 35.859 ( 6.016 2.287 1.366) 6.580 35.913 ( 6.556 -3.337 0.365) 7.365 36.639 ( 4.783 8.772 -2.754) 10.364 36.770 ( 3.394 -4.575 -3.085) 6.478 39.640 ( 4.933 0.521 -0.479) 4.984 39.682 ( 3.299 -3.903 2.175) 5.554 40.889 ( 1.294 1.366 1.770) 2.584 40.929 ( 2.083 -2.758 -0.545) 3.499 76.657 ( -0.988 4.301 -0.226) 4.419 76.728 ( -0.538 -3.216 -1.541) 3.607 80.097 ( -6.953 12.174 3.500) 14.450 80.266 ( -11.470 -5.071 7.897) 14.820 ======================= Grid point 272 (135/136) ======================= q-point: ( 0.36 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 15.336 7.914 -2.262) 17.405 1.734 ( 17.020 -4.584 0.027) 17.627 2.068 ( 1.686 -1.585 0.696) 2.416 2.130 ( 3.265 -4.869 -0.279) 5.869 2.342 ( 5.470 7.832 1.701) 9.703 2.470 ( 6.767 -6.775 -4.439) 10.554 2.626 ( -1.934 3.690 -3.841) 5.666 2.679 ( 1.102 -0.450 -1.112) 1.629 2.792 ( 3.290 -0.879 0.636) 3.465 2.821 ( -1.282 -3.264 0.527) 3.546 3.219 ( -0.229 2.322 1.220) 2.633 3.239 ( 1.609 0.150 0.063) 1.617 3.366 ( -4.247 5.374 0.616) 6.877 3.450 ( -2.329 -3.259 -0.362) 4.022 3.665 ( -2.039 9.989 2.307) 10.453 3.869 ( 2.731 -10.092 1.555) 10.570 3.948 ( -4.707 5.641 -2.219) 7.675 4.103 ( -0.609 -8.540 -1.106) 8.633 4.302 ( 1.222 5.605 -1.487) 5.926 4.388 ( -5.291 2.459 5.130) 7.769 4.424 ( -3.194 1.125 1.447) 3.682 4.494 ( -6.032 -2.302 1.616) 6.656 4.699 ( 6.652 0.648 -6.137) 9.074 4.818 ( 3.117 -9.189 -1.987) 9.905 5.054 ( -3.709 2.728 1.833) 4.956 5.146 ( -4.839 -6.296 0.258) 7.945 5.491 ( -4.730 1.330 0.456) 4.934 5.524 ( -5.282 -2.213 1.288) 5.870 5.770 ( 1.614 2.602 1.878) 3.592 5.803 ( 0.625 -0.503 1.121) 1.378 5.907 ( 0.618 1.228 -1.770) 2.241 5.927 ( -0.433 -0.833 -1.860) 2.083 6.771 ( 0.633 1.103 0.794) 1.499 6.797 ( 0.379 -1.403 -0.060) 1.455 7.614 ( -1.942 4.226 0.666) 4.698 7.693 ( -3.961 -4.094 -0.094) 5.697 12.180 ( -1.515 0.716 -0.251) 1.694 12.187 ( -1.846 -0.023 0.172) 1.854 12.384 ( 0.873 -0.253 0.591) 1.084 12.394 ( 0.957 -1.302 -0.353) 1.654 12.515 ( -0.536 1.112 -0.301) 1.271 12.529 ( -1.016 -0.331 0.059) 1.071 13.579 ( -0.421 1.353 1.564) 2.111 13.604 ( -0.115 -1.310 -0.600) 1.445 15.986 ( 0.736 1.741 0.282) 1.911 16.006 ( 0.846 -0.478 -1.086) 1.458 16.648 ( 0.412 0.380 -0.210) 0.599 16.659 ( 0.069 -0.719 0.131) 0.734 16.836 ( -0.746 1.165 0.233) 1.403 16.855 ( -1.071 -0.779 -0.006) 1.324 17.035 ( 0.250 1.382 0.418) 1.466 17.056 ( -0.268 -0.712 0.344) 0.835 17.782 ( -0.310 1.349 -0.924) 1.665 17.804 ( -1.243 -0.856 -0.624) 1.633 17.947 ( 0.041 1.831 0.610) 1.931 17.976 ( -0.337 -1.141 -0.397) 1.255 24.851 ( -0.911 2.225 1.310) 2.738 24.893 ( -1.177 -2.160 -0.972) 2.645 25.322 ( -0.817 1.357 1.757) 2.366 25.342 ( -0.544 -0.573 -0.536) 0.955 28.279 ( 0.703 0.592 0.108) 0.925 28.285 ( 0.402 -0.037 0.262) 0.481 28.453 ( 0.098 1.323 -0.678) 1.490 28.472 ( -0.363 -0.686 -0.626) 0.997 28.812 ( -0.234 1.049 -0.005) 1.075 28.829 ( -1.064 -0.705 0.442) 1.351 30.942 ( 1.278 2.584 0.973) 3.043 30.988 ( 0.035 -2.210 0.310) 2.232 33.348 ( -1.265 2.960 -8.079) 8.697 33.410 ( -0.867 -3.187 -9.562) 10.116 33.586 ( -9.845 3.317 5.821) 11.908 33.657 ( -12.930 -4.140 10.042) 16.886 35.983 ( 5.777 2.510 2.301) 6.706 36.033 ( 5.594 -2.687 0.858) 6.265 36.694 ( 3.489 6.500 -2.334) 7.737 36.788 ( 1.084 -3.050 -2.792) 4.275 39.711 ( 3.393 -0.452 -0.681) 3.490 39.739 ( 1.535 -3.395 1.644) 4.073 40.918 ( 0.634 0.728 1.551) 1.827 40.949 ( 0.788 -2.459 -0.928) 2.744 76.645 ( -0.161 3.566 -0.015) 3.570 76.703 ( -1.073 -2.475 -1.379) 3.030 80.013 ( -4.097 7.895 1.406) 9.005 80.120 ( -9.446 -2.975 4.928) 11.061 ======================= Grid point 273 (136/136) ======================= q-point: ( 0.45 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 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 16.345 9.019 -1.073) 18.699 2.054 ( -3.177 -2.088 1.530) 4.098 2.074 ( 14.988 -0.698 4.992) 15.813 2.193 ( 3.253 -5.963 2.018) 7.086 2.323 ( -5.684 1.654 -5.991) 8.422 2.373 ( -9.886 -3.394 -8.163) 13.262 2.648 ( 5.919 6.438 7.409) 11.462 2.764 ( 6.429 -4.995 4.796) 9.449 2.811 ( -3.435 0.582 -3.888) 5.221 2.858 ( 1.705 -3.145 -3.777) 5.202 3.176 ( -2.738 2.897 1.116) 4.139 3.212 ( -5.466 0.663 0.370) 5.518 3.298 ( 0.877 0.721 -1.115) 1.592 3.353 ( -4.347 -3.425 -2.266) 5.980 3.733 ( 4.401 10.203 3.773) 11.735 3.837 ( -4.461 6.936 -3.113) 8.815 3.970 ( 4.636 -9.553 2.798) 10.981 4.058 ( -2.833 -11.044 -2.463) 11.664 4.299 ( -0.438 3.872 0.920) 4.004 4.327 ( -4.080 1.508 2.043) 4.806 4.408 ( 0.185 3.430 2.411) 4.197 4.438 ( -1.361 1.523 -1.395) 2.473 4.797 ( 8.262 -0.274 -4.658) 9.489 4.865 ( 2.596 -5.412 -1.650) 6.225 4.982 ( -2.726 -0.920 -0.905) 3.016 5.047 ( -8.364 -6.699 4.117) 11.480 5.439 ( -0.645 0.362 -0.002) 0.740 5.458 ( -2.880 -1.692 1.146) 3.532 5.821 ( 1.781 1.941 2.710) 3.779 5.838 ( 1.611 0.334 0.447) 1.705 5.896 ( -0.183 0.650 -1.449) 1.598 5.908 ( -0.757 -0.425 -1.641) 1.857 6.786 ( 0.589 0.652 0.223) 0.906 6.796 ( -0.276 -0.328 -0.326) 0.538 7.602 ( 0.256 1.813 0.593) 1.925 7.632 ( -2.560 -1.236 -0.337) 2.863 12.161 ( -0.375 0.362 -0.230) 0.570 12.164 ( -0.864 0.067 0.196) 0.889 12.400 ( 0.397 -0.518 0.556) 0.857 12.404 ( 0.411 -0.894 -0.429) 1.073 12.508 ( 0.026 0.693 -0.231) 0.731 12.513 ( -0.705 0.118 0.143) 0.729 13.585 ( -0.097 0.479 1.388) 1.471 13.595 ( -0.139 -0.566 -1.087) 1.234 16.000 ( 0.474 1.082 0.541) 1.299 16.008 ( 0.163 0.193 -0.897) 0.931 16.654 ( 0.376 0.002 -0.137) 0.400 16.659 ( -0.233 -0.469 0.119) 0.537 16.829 ( 0.069 0.658 -0.037) 0.662 16.838 ( -0.816 -0.169 0.061) 0.835 17.043 ( 0.367 0.717 0.285) 0.854 17.051 ( -0.400 -0.080 0.003) 0.408 17.776 ( 0.191 0.698 -0.465) 0.860 17.783 ( -0.785 -0.014 -0.071) 0.788 17.955 ( 0.315 0.755 0.605) 1.017 17.966 ( -0.401 -0.346 -0.554) 0.766 24.852 ( 0.004 0.752 1.249) 1.458 24.868 ( -0.741 -0.871 -1.125) 1.604 25.323 ( -0.338 0.614 1.319) 1.494 25.330 ( -0.173 -0.057 -0.947) 0.964 28.290 ( 0.411 0.481 0.002) 0.632 28.292 ( 0.106 0.284 0.226) 0.378 28.452 ( 0.277 0.583 -0.232) 0.686 28.460 ( -0.526 -0.221 -0.294) 0.641 28.811 ( 0.135 0.607 -0.009) 0.622 28.817 ( -0.587 0.022 0.156) 0.607 30.965 ( 0.732 0.969 0.755) 1.430 30.981 ( -0.571 -0.703 -0.448) 1.011 33.305 ( 1.207 2.078 -3.664) 4.382 33.335 ( -2.461 -0.672 -2.219) 3.381 33.511 ( -0.599 0.302 -0.779) 1.028 33.542 ( -6.606 -2.643 6.177) 9.422 36.081 ( 2.944 1.661 1.892) 3.874 36.103 ( 1.570 -0.580 -0.345) 1.709 36.735 ( 2.426 3.011 -0.511) 3.900 36.771 ( -1.012 -0.594 -1.607) 1.990 39.752 ( 1.736 -1.500 -0.862) 2.451 39.761 ( -0.134 -2.520 1.162) 2.778 40.936 ( 0.258 -0.329 1.366) 1.428 40.947 ( 0.059 -1.514 -1.201) 1.934 76.651 ( 0.678 1.710 0.432) 1.890 76.673 ( -1.153 -0.604 -0.958) 1.616 79.979 ( 0.143 3.707 -0.511) 3.745 80.015 ( -5.029 0.099 2.452) 5.596 =================== 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 3/38808 10.0 31.604 32.823 28.004 0.000 0.278 0.000 3/38808 20.0 6.546 5.296 6.447 0.000 0.187 0.000 3/38808 30.0 3.318 2.604 3.290 0.000 0.125 0.000 3/38808 40.0 2.146 1.687 2.123 0.000 0.098 0.000 3/38808 50.0 1.572 1.250 1.545 0.000 0.081 0.000 3/38808 60.0 1.244 1.001 1.213 0.000 0.068 0.000 3/38808 70.0 1.034 0.841 1.000 0.000 0.058 0.000 3/38808 80.0 0.889 0.729 0.854 0.000 0.051 0.000 3/38808 90.0 0.783 0.645 0.747 0.000 0.045 0.000 3/38808 100.0 0.700 0.580 0.665 0.000 0.040 0.000 3/38808 110.0 0.635 0.528 0.600 0.000 0.036 0.000 3/38808 120.0 0.581 0.485 0.548 0.000 0.032 0.000 3/38808 130.0 0.537 0.449 0.504 0.000 0.029 0.000 3/38808 140.0 0.499 0.419 0.468 0.000 0.027 0.000 3/38808 150.0 0.466 0.393 0.437 0.000 0.025 0.000 3/38808 160.0 0.438 0.370 0.410 0.000 0.023 0.000 3/38808 170.0 0.413 0.350 0.387 0.000 0.021 0.000 3/38808 180.0 0.392 0.332 0.367 0.000 0.019 0.000 3/38808 190.0 0.373 0.316 0.349 0.000 0.018 0.000 3/38808 200.0 0.356 0.302 0.334 0.000 0.017 0.000 3/38808 210.0 0.341 0.290 0.320 0.000 0.015 0.000 3/38808 220.0 0.327 0.278 0.308 0.000 0.014 0.000 3/38808 230.0 0.315 0.268 0.297 0.000 0.013 0.000 3/38808 240.0 0.304 0.259 0.288 0.000 0.012 0.000 3/38808 250.0 0.295 0.250 0.279 0.000 0.011 0.000 3/38808 260.0 0.286 0.242 0.271 0.000 0.010 0.000 3/38808 270.0 0.278 0.235 0.264 0.000 0.009 0.000 3/38808 280.0 0.271 0.229 0.258 0.000 0.008 0.000 3/38808 290.0 0.265 0.223 0.252 0.000 0.007 0.000 3/38808 300.0 0.259 0.217 0.247 0.000 0.006 0.000 3/38808 310.0 0.253 0.212 0.242 0.000 0.006 0.000 3/38808 320.0 0.248 0.207 0.238 0.000 0.005 0.000 3/38808 330.0 0.244 0.202 0.234 0.000 0.004 0.000 3/38808 340.0 0.239 0.198 0.230 0.000 0.003 0.000 3/38808 350.0 0.235 0.194 0.227 0.000 0.003 0.000 3/38808 360.0 0.232 0.190 0.223 0.000 0.002 0.000 3/38808 370.0 0.228 0.186 0.220 0.000 0.001 0.000 3/38808 380.0 0.225 0.182 0.217 0.000 0.001 0.000 3/38808 390.0 0.221 0.179 0.214 0.000 0.000 0.000 3/38808 400.0 0.218 0.176 0.212 0.000 -0.000 0.000 3/38808 410.0 0.215 0.173 0.209 0.000 -0.001 0.000 3/38808 420.0 0.212 0.170 0.206 0.000 -0.001 0.000 3/38808 430.0 0.210 0.167 0.204 0.000 -0.001 0.000 3/38808 440.0 0.207 0.164 0.202 0.000 -0.002 0.000 3/38808 450.0 0.205 0.162 0.199 0.000 -0.002 0.000 3/38808 460.0 0.202 0.159 0.197 0.000 -0.002 0.000 3/38808 470.0 0.200 0.157 0.195 0.000 -0.003 0.000 3/38808 480.0 0.197 0.154 0.193 0.000 -0.003 0.000 3/38808 490.0 0.195 0.152 0.190 0.000 -0.003 0.000 3/38808 500.0 0.193 0.150 0.188 0.000 -0.004 0.000 3/38808 510.0 0.191 0.147 0.186 0.000 -0.004 0.000 3/38808 520.0 0.188 0.145 0.184 0.000 -0.004 0.000 3/38808 530.0 0.186 0.143 0.182 0.000 -0.004 0.000 3/38808 540.0 0.184 0.141 0.181 0.000 -0.004 0.000 3/38808 550.0 0.182 0.139 0.179 0.000 -0.005 0.000 3/38808 560.0 0.180 0.137 0.177 0.000 -0.005 0.000 3/38808 570.0 0.178 0.135 0.175 0.000 -0.005 0.000 3/38808 580.0 0.176 0.134 0.173 0.000 -0.005 0.000 3/38808 590.0 0.174 0.132 0.171 0.000 -0.005 0.000 3/38808 600.0 0.173 0.130 0.170 0.000 -0.005 0.000 3/38808 610.0 0.171 0.128 0.168 0.000 -0.005 0.000 3/38808 620.0 0.169 0.127 0.166 0.000 -0.005 0.000 3/38808 630.0 0.167 0.125 0.165 0.000 -0.005 0.000 3/38808 640.0 0.165 0.124 0.163 0.000 -0.006 0.000 3/38808 650.0 0.164 0.122 0.161 0.000 -0.006 0.000 3/38808 660.0 0.162 0.121 0.160 0.000 -0.006 0.000 3/38808 670.0 0.160 0.119 0.158 0.000 -0.006 0.000 3/38808 680.0 0.159 0.118 0.157 0.000 -0.006 0.000 3/38808 690.0 0.157 0.116 0.155 0.000 -0.006 0.000 3/38808 700.0 0.156 0.115 0.154 0.000 -0.006 0.000 3/38808 710.0 0.154 0.114 0.152 0.000 -0.006 0.000 3/38808 720.0 0.153 0.112 0.151 0.000 -0.006 0.000 3/38808 730.0 0.151 0.111 0.149 0.000 -0.006 0.000 3/38808 740.0 0.150 0.110 0.148 0.000 -0.006 0.000 3/38808 750.0 0.148 0.108 0.146 0.000 -0.006 0.000 3/38808 760.0 0.147 0.107 0.145 0.000 -0.006 0.000 3/38808 770.0 0.145 0.106 0.144 0.000 -0.006 0.000 3/38808 780.0 0.144 0.105 0.142 0.000 -0.006 0.000 3/38808 790.0 0.143 0.104 0.141 0.000 -0.006 0.000 3/38808 800.0 0.141 0.103 0.140 0.000 -0.006 0.000 3/38808 810.0 0.140 0.102 0.138 0.000 -0.006 0.000 3/38808 820.0 0.139 0.101 0.137 0.000 -0.006 0.000 3/38808 830.0 0.137 0.100 0.136 0.000 -0.006 0.000 3/38808 840.0 0.136 0.098 0.135 0.000 -0.006 0.000 3/38808 850.0 0.135 0.097 0.134 0.000 -0.006 0.000 3/38808 860.0 0.134 0.096 0.132 0.000 -0.006 0.000 3/38808 870.0 0.132 0.096 0.131 0.000 -0.006 0.000 3/38808 880.0 0.131 0.095 0.130 0.000 -0.006 0.000 3/38808 890.0 0.130 0.094 0.129 0.000 -0.006 0.000 3/38808 900.0 0.129 0.093 0.128 0.000 -0.006 0.000 3/38808 910.0 0.128 0.092 0.127 0.000 -0.006 0.000 3/38808 920.0 0.127 0.091 0.126 0.000 -0.006 0.000 3/38808 930.0 0.126 0.090 0.125 0.000 -0.006 0.000 3/38808 940.0 0.125 0.089 0.124 0.000 -0.006 0.000 3/38808 950.0 0.123 0.088 0.123 0.000 -0.006 0.000 3/38808 960.0 0.122 0.088 0.122 0.000 -0.006 0.000 3/38808 970.0 0.121 0.087 0.121 0.000 -0.006 0.000 3/38808 980.0 0.120 0.086 0.120 0.000 -0.006 0.000 3/38808 990.0 0.119 0.085 0.119 0.000 -0.006 0.000 3/38808 1000.0 0.118 0.084 0.118 0.000 -0.006 0.000 3/38808 Thermal conductivity related properties were written into "kappa-m1176.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:57:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|