----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:14:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 8.392814057688650 0.000000000000000 0.000000000000000 b 0.000000000000000 9.603082040000000 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): *1 Na 0.94891718375544 0.89705234455094 0.39765745577326 22.990 *2 Na 0.05193081509617 0.46398004850198 0.68667718659804 22.990 3 Na 0.94806918490383 0.96398004850198 0.81332281340196 22.990 4 Na 0.94891718375544 0.60294765544906 0.89765745577326 22.990 5 Na 0.05108281624456 0.10294765544906 0.60234254422674 22.990 6 Na 0.05108281624456 0.39705234455094 0.10234254422674 22.990 7 Na 0.94806918490383 0.53601995149802 0.31332281340196 22.990 8 Na 0.05193081509617 0.03601995149802 0.18667718659804 22.990 *9 Ge 0.24194096253308 0.40247040484553 0.94393043836596 72.640 *10 Ge 0.81061743102732 0.83905355075338 0.98796777305680 72.640 11 Ge 0.81061743102732 0.66094644924662 0.48796777305680 72.640 12 Ge 0.18938256897268 0.33905355075339 0.51203222694320 72.640 *13 Ge 0.22017942370574 0.31143907503751 0.32874154381340 72.640 14 Ge 0.77982057629426 0.81143907503751 0.17125845618660 72.640 15 Ge 0.77982057629426 0.68856092496249 0.67125845618660 72.640 16 Ge 0.22017942370574 0.18856092496249 0.82874154381340 72.640 *17 Ge 0.94375410188486 0.22146098908210 0.35426227194975 72.640 18 Ge 0.75805903746692 0.59752959515447 0.05606956163405 72.640 19 Ge 0.24194096253308 0.09752959515447 0.44393043836596 72.640 20 Ge 0.94375410188486 0.27853901091790 0.85426227194975 72.640 21 Ge 0.05624589811514 0.77853901091790 0.64573772805025 72.640 22 Ge 0.05624589811514 0.72146098908210 0.14573772805025 72.640 23 Ge 0.18938256897268 0.16094644924661 0.01203222694320 72.640 24 Ge 0.75805903746692 0.90247040484553 0.55606956163404 72.640 *25 Cs 0.51257483421173 0.02540655379234 0.27833554551093 132.905 26 Cs 0.48742516578827 0.52540655379234 0.22166445448907 132.905 27 Cs 0.48742516578827 0.97459344620766 0.72166445448907 132.905 28 Cs 0.51257483421173 0.47459344620766 0.77833554551093 132.905 *29 Cs 0.34736884974605 0.79654328487791 0.96505160479839 132.905 30 Cs 0.65263115025395 0.29654328487791 0.53494839520161 132.905 31 Cs 0.65263115025395 0.20345671512209 0.03494839520161 132.905 32 Cs 0.34736884974605 0.70345671512209 0.46505160479839 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.392814057688650 0.000000000000000 0.000000000000000 b 0.000000000000000 9.603082040000000 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): *1 Na 0.94891718375544 0.89705234455094 0.39765745577326 22.990 > 1 *2 Na 0.05193081509617 0.46398004850198 0.68667718659804 22.990 > 2 3 Na 0.94806918490383 0.96398004850198 0.81332281340196 22.990 > 3 4 Na 0.94891718375544 0.60294765544906 0.89765745577326 22.990 > 4 5 Na 0.05108281624456 0.10294765544906 0.60234254422674 22.990 > 5 6 Na 0.05108281624456 0.39705234455094 0.10234254422674 22.990 > 6 7 Na 0.94806918490383 0.53601995149802 0.31332281340196 22.990 > 7 8 Na 0.05193081509617 0.03601995149802 0.18667718659804 22.990 > 8 *9 Ge 0.24194096253308 0.40247040484553 0.94393043836596 72.640 > 9 *10 Ge 0.81061743102732 0.83905355075338 0.98796777305680 72.640 > 10 11 Ge 0.81061743102732 0.66094644924662 0.48796777305680 72.640 > 11 12 Ge 0.18938256897268 0.33905355075339 0.51203222694320 72.640 > 12 *13 Ge 0.22017942370574 0.31143907503751 0.32874154381340 72.640 > 13 14 Ge 0.77982057629426 0.81143907503751 0.17125845618660 72.640 > 14 15 Ge 0.77982057629426 0.68856092496249 0.67125845618660 72.640 > 15 16 Ge 0.22017942370574 0.18856092496249 0.82874154381340 72.640 > 16 *17 Ge 0.94375410188486 0.22146098908210 0.35426227194975 72.640 > 17 18 Ge 0.75805903746692 0.59752959515447 0.05606956163405 72.640 > 18 19 Ge 0.24194096253308 0.09752959515447 0.44393043836596 72.640 > 19 20 Ge 0.94375410188486 0.27853901091790 0.85426227194975 72.640 > 20 21 Ge 0.05624589811514 0.77853901091790 0.64573772805025 72.640 > 21 22 Ge 0.05624589811514 0.72146098908210 0.14573772805025 72.640 > 22 23 Ge 0.18938256897268 0.16094644924661 0.01203222694320 72.640 > 23 24 Ge 0.75805903746692 0.90247040484553 0.55606956163404 72.640 > 24 *25 Cs 0.51257483421173 0.02540655379234 0.27833554551093 132.905 > 25 26 Cs 0.48742516578827 0.52540655379234 0.22166445448907 132.905 > 26 27 Cs 0.48742516578827 0.97459344620766 0.72166445448907 132.905 > 27 28 Cs 0.51257483421173 0.47459344620766 0.77833554551093 132.905 > 28 *29 Cs 0.34736884974605 0.79654328487791 0.96505160479839 132.905 > 29 30 Cs 0.65263115025395 0.29654328487791 0.53494839520161 132.905 > 30 31 Cs 0.65263115025395 0.20345671512209 0.03494839520161 132.905 > 31 32 Cs 0.34736884974605 0.70345671512209 0.46505160479839 132.905 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.785628115377300 0.000000000000000 0.000000000000000 b 0.000000000000000 19.206164080000001 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): *1 Na 0.47445859187772 0.44852617227547 0.39765745577326 22.990 > 1 2 Na 0.97445859187772 0.44852617227547 0.39765745577326 22.990 > 1 3 Na 0.47445859187772 0.94852617227547 0.39765745577326 22.990 > 1 4 Na 0.97445859187772 0.94852617227547 0.39765745577326 22.990 > 1 *5 Na 0.02596540754809 0.23199002425099 0.68667718659804 22.990 > 2 6 Na 0.52596540754808 0.23199002425099 0.68667718659804 22.990 > 2 7 Na 0.02596540754809 0.73199002425099 0.68667718659804 22.990 > 2 8 Na 0.52596540754808 0.73199002425099 0.68667718659804 22.990 > 2 9 Na 0.47403459245192 0.48199002425099 0.81332281340196 22.990 > 3 10 Na 0.97403459245192 0.48199002425099 0.81332281340196 22.990 > 3 11 Na 0.47403459245192 0.98199002425099 0.81332281340196 22.990 > 3 12 Na 0.97403459245192 0.98199002425099 0.81332281340196 22.990 > 3 13 Na 0.47445859187772 0.30147382772453 0.89765745577326 22.990 > 4 14 Na 0.97445859187772 0.30147382772453 0.89765745577326 22.990 > 4 15 Na 0.47445859187772 0.80147382772453 0.89765745577326 22.990 > 4 16 Na 0.97445859187772 0.80147382772453 0.89765745577326 22.990 > 4 17 Na 0.02554140812228 0.05147382772453 0.60234254422674 22.990 > 5 18 Na 0.52554140812228 0.05147382772453 0.60234254422674 22.990 > 5 19 Na 0.02554140812228 0.55147382772453 0.60234254422674 22.990 > 5 20 Na 0.52554140812228 0.55147382772453 0.60234254422674 22.990 > 5 21 Na 0.02554140812228 0.19852617227547 0.10234254422674 22.990 > 6 22 Na 0.52554140812228 0.19852617227547 0.10234254422674 22.990 > 6 23 Na 0.02554140812228 0.69852617227547 0.10234254422674 22.990 > 6 24 Na 0.52554140812228 0.69852617227547 0.10234254422674 22.990 > 6 25 Na 0.47403459245192 0.26800997574901 0.31332281340196 22.990 > 7 26 Na 0.97403459245192 0.26800997574901 0.31332281340196 22.990 > 7 27 Na 0.47403459245192 0.76800997574901 0.31332281340196 22.990 > 7 28 Na 0.97403459245192 0.76800997574901 0.31332281340196 22.990 > 7 29 Na 0.02596540754809 0.01800997574901 0.18667718659804 22.990 > 8 30 Na 0.52596540754808 0.01800997574901 0.18667718659804 22.990 > 8 31 Na 0.02596540754809 0.51800997574901 0.18667718659804 22.990 > 8 32 Na 0.52596540754808 0.51800997574901 0.18667718659804 22.990 > 8 *33 Ge 0.12097048126654 0.20123520242277 0.94393043836596 72.640 > 9 34 Ge 0.62097048126654 0.20123520242277 0.94393043836596 72.640 > 9 35 Ge 0.12097048126654 0.70123520242277 0.94393043836596 72.640 > 9 36 Ge 0.62097048126654 0.70123520242277 0.94393043836596 72.640 > 9 *37 Ge 0.40530871551366 0.41952677537669 0.98796777305680 72.640 > 10 38 Ge 0.90530871551366 0.41952677537669 0.98796777305680 72.640 > 10 39 Ge 0.40530871551366 0.91952677537669 0.98796777305680 72.640 > 10 40 Ge 0.90530871551366 0.91952677537669 0.98796777305680 72.640 > 10 41 Ge 0.40530871551366 0.33047322462331 0.48796777305680 72.640 > 11 42 Ge 0.90530871551366 0.33047322462331 0.48796777305680 72.640 > 11 43 Ge 0.40530871551366 0.83047322462331 0.48796777305680 72.640 > 11 44 Ge 0.90530871551366 0.83047322462331 0.48796777305680 72.640 > 11 45 Ge 0.09469128448634 0.16952677537669 0.51203222694320 72.640 > 12 46 Ge 0.59469128448634 0.16952677537669 0.51203222694320 72.640 > 12 47 Ge 0.09469128448634 0.66952677537669 0.51203222694320 72.640 > 12 48 Ge 0.59469128448634 0.66952677537669 0.51203222694320 72.640 > 12 *49 Ge 0.11008971185287 0.15571953751876 0.32874154381340 72.640 > 13 50 Ge 0.61008971185287 0.15571953751876 0.32874154381340 72.640 > 13 51 Ge 0.11008971185287 0.65571953751876 0.32874154381340 72.640 > 13 52 Ge 0.61008971185287 0.65571953751876 0.32874154381340 72.640 > 13 53 Ge 0.38991028814713 0.40571953751876 0.17125845618660 72.640 > 14 54 Ge 0.88991028814713 0.40571953751876 0.17125845618660 72.640 > 14 55 Ge 0.38991028814713 0.90571953751876 0.17125845618660 72.640 > 14 56 Ge 0.88991028814713 0.90571953751876 0.17125845618660 72.640 > 14 57 Ge 0.38991028814713 0.34428046248124 0.67125845618660 72.640 > 15 58 Ge 0.88991028814713 0.34428046248124 0.67125845618660 72.640 > 15 59 Ge 0.38991028814713 0.84428046248124 0.67125845618660 72.640 > 15 60 Ge 0.88991028814713 0.84428046248124 0.67125845618660 72.640 > 15 61 Ge 0.11008971185287 0.09428046248124 0.82874154381340 72.640 > 16 62 Ge 0.61008971185287 0.09428046248124 0.82874154381340 72.640 > 16 63 Ge 0.11008971185287 0.59428046248124 0.82874154381340 72.640 > 16 64 Ge 0.61008971185287 0.59428046248124 0.82874154381340 72.640 > 16 *65 Ge 0.47187705094243 0.11073049454105 0.35426227194975 72.640 > 17 66 Ge 0.97187705094243 0.11073049454105 0.35426227194975 72.640 > 17 67 Ge 0.47187705094243 0.61073049454105 0.35426227194975 72.640 > 17 68 Ge 0.97187705094243 0.61073049454105 0.35426227194975 72.640 > 17 69 Ge 0.37902951873346 0.29876479757723 0.05606956163405 72.640 > 18 70 Ge 0.87902951873346 0.29876479757723 0.05606956163405 72.640 > 18 71 Ge 0.37902951873346 0.79876479757723 0.05606956163405 72.640 > 18 72 Ge 0.87902951873346 0.79876479757723 0.05606956163405 72.640 > 18 73 Ge 0.12097048126654 0.04876479757723 0.44393043836596 72.640 > 19 74 Ge 0.62097048126654 0.04876479757723 0.44393043836596 72.640 > 19 75 Ge 0.12097048126654 0.54876479757723 0.44393043836596 72.640 > 19 76 Ge 0.62097048126654 0.54876479757723 0.44393043836596 72.640 > 19 77 Ge 0.47187705094243 0.13926950545895 0.85426227194975 72.640 > 20 78 Ge 0.97187705094243 0.13926950545895 0.85426227194975 72.640 > 20 79 Ge 0.47187705094243 0.63926950545895 0.85426227194975 72.640 > 20 80 Ge 0.97187705094243 0.63926950545895 0.85426227194975 72.640 > 20 81 Ge 0.02812294905757 0.38926950545895 0.64573772805025 72.640 > 21 82 Ge 0.52812294905757 0.38926950545895 0.64573772805025 72.640 > 21 83 Ge 0.02812294905757 0.88926950545895 0.64573772805025 72.640 > 21 84 Ge 0.52812294905757 0.88926950545895 0.64573772805025 72.640 > 21 85 Ge 0.02812294905757 0.36073049454105 0.14573772805025 72.640 > 22 86 Ge 0.52812294905757 0.36073049454105 0.14573772805025 72.640 > 22 87 Ge 0.02812294905757 0.86073049454105 0.14573772805025 72.640 > 22 88 Ge 0.52812294905757 0.86073049454105 0.14573772805025 72.640 > 22 89 Ge 0.09469128448634 0.08047322462331 0.01203222694320 72.640 > 23 90 Ge 0.59469128448634 0.08047322462331 0.01203222694320 72.640 > 23 91 Ge 0.09469128448634 0.58047322462331 0.01203222694320 72.640 > 23 92 Ge 0.59469128448634 0.58047322462331 0.01203222694320 72.640 > 23 93 Ge 0.37902951873346 0.45123520242277 0.55606956163404 72.640 > 24 94 Ge 0.87902951873346 0.45123520242277 0.55606956163404 72.640 > 24 95 Ge 0.37902951873346 0.95123520242277 0.55606956163404 72.640 > 24 96 Ge 0.87902951873346 0.95123520242277 0.55606956163404 72.640 > 24 *97 Cs 0.25628741710586 0.01270327689617 0.27833554551093 132.905 > 25 98 Cs 0.75628741710586 0.01270327689617 0.27833554551093 132.905 > 25 99 Cs 0.25628741710586 0.51270327689617 0.27833554551093 132.905 > 25 100 Cs 0.75628741710586 0.51270327689617 0.27833554551093 132.905 > 25 101 Cs 0.24371258289414 0.26270327689617 0.22166445448907 132.905 > 26 102 Cs 0.74371258289414 0.26270327689617 0.22166445448907 132.905 > 26 103 Cs 0.24371258289414 0.76270327689617 0.22166445448907 132.905 > 26 104 Cs 0.74371258289414 0.76270327689617 0.22166445448907 132.905 > 26 105 Cs 0.24371258289414 0.48729672310383 0.72166445448907 132.905 > 27 106 Cs 0.74371258289414 0.48729672310383 0.72166445448907 132.905 > 27 107 Cs 0.24371258289414 0.98729672310383 0.72166445448907 132.905 > 27 108 Cs 0.74371258289414 0.98729672310383 0.72166445448907 132.905 > 27 109 Cs 0.25628741710586 0.23729672310383 0.77833554551093 132.905 > 28 110 Cs 0.75628741710586 0.23729672310383 0.77833554551093 132.905 > 28 111 Cs 0.25628741710586 0.73729672310383 0.77833554551093 132.905 > 28 112 Cs 0.75628741710586 0.73729672310383 0.77833554551093 132.905 > 28 *113 Cs 0.17368442487303 0.39827164243895 0.96505160479839 132.905 > 29 114 Cs 0.67368442487303 0.39827164243895 0.96505160479839 132.905 > 29 115 Cs 0.17368442487303 0.89827164243895 0.96505160479839 132.905 > 29 116 Cs 0.67368442487303 0.89827164243895 0.96505160479839 132.905 > 29 117 Cs 0.32631557512697 0.14827164243895 0.53494839520161 132.905 > 30 118 Cs 0.82631557512697 0.14827164243895 0.53494839520161 132.905 > 30 119 Cs 0.32631557512697 0.64827164243895 0.53494839520161 132.905 > 30 120 Cs 0.82631557512697 0.64827164243895 0.53494839520161 132.905 > 30 121 Cs 0.32631557512697 0.10172835756105 0.03494839520161 132.905 > 31 122 Cs 0.82631557512697 0.10172835756105 0.03494839520161 132.905 > 31 123 Cs 0.32631557512697 0.60172835756105 0.03494839520161 132.905 > 31 124 Cs 0.82631557512697 0.60172835756105 0.03494839520161 132.905 > 31 125 Cs 0.17368442487303 0.35172835756105 0.46505160479839 132.905 > 32 126 Cs 0.67368442487303 0.35172835756105 0.46505160479839 132.905 > 32 127 Cs 0.17368442487303 0.85172835756105 0.46505160479839 132.905 > 32 128 Cs 0.67368442487303 0.85172835756105 0.46505160479839 132.905 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2162422 0.0000000 -0.9246677 0.0000000 8.8028822 0.0000000 -0.9245970 0.0000000 10.3458963 -------------------------- Born effective charges -------------------------- 1 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 2 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 3 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 4 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 5 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 6 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 7 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 8 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 9 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 10 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 11 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 12 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 13 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 14 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 15 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 16 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 17 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 18 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 19 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 20 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 21 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 22 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 23 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 24 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 25 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 26 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 27 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 28 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 29 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 30 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 31 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 32 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.436 Solver_block: 200 / 960 - Time: 1.260 Solver_block: 300 / 960 - Time: 1.265 Solver_block: 400 / 960 - Time: 1.270 Solver_block: 500 / 960 - Time: 1.256 Solver_block: 600 / 960 - Time: 1.266 Solver_block: 700 / 960 - Time: 1.270 Solver_block: 800 / 960 - Time: 1.272 Solver_block: 900 / 960 - Time: 1.258 Solver_block: 960 / 960 - Time: 0.860 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.747 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:15:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:15:48]------------------------- 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 8.392814057688650 0.000000000000000 0.000000000000000 b 0.000000000000000 9.603082040000000 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): 1 Na 0.94891718375544 0.89705234455094 0.39765745577326 22.990 2 Na 0.05193081509617 0.46398004850198 0.68667718659804 22.990 3 Na 0.94806918490383 0.96398004850198 0.81332281340196 22.990 4 Na 0.94891718375544 0.60294765544906 0.89765745577326 22.990 5 Na 0.05108281624456 0.10294765544906 0.60234254422674 22.990 6 Na 0.05108281624456 0.39705234455094 0.10234254422674 22.990 7 Na 0.94806918490383 0.53601995149802 0.31332281340196 22.990 8 Na 0.05193081509617 0.03601995149802 0.18667718659804 22.990 9 Ge 0.24194096253308 0.40247040484553 0.94393043836596 72.640 10 Ge 0.81061743102732 0.83905355075338 0.98796777305680 72.640 11 Ge 0.81061743102732 0.66094644924662 0.48796777305680 72.640 12 Ge 0.18938256897268 0.33905355075339 0.51203222694320 72.640 13 Ge 0.22017942370574 0.31143907503751 0.32874154381340 72.640 14 Ge 0.77982057629426 0.81143907503751 0.17125845618660 72.640 15 Ge 0.77982057629426 0.68856092496249 0.67125845618660 72.640 16 Ge 0.22017942370574 0.18856092496249 0.82874154381340 72.640 17 Ge 0.94375410188486 0.22146098908210 0.35426227194975 72.640 18 Ge 0.75805903746692 0.59752959515447 0.05606956163405 72.640 19 Ge 0.24194096253308 0.09752959515447 0.44393043836596 72.640 20 Ge 0.94375410188486 0.27853901091790 0.85426227194975 72.640 21 Ge 0.05624589811514 0.77853901091790 0.64573772805025 72.640 22 Ge 0.05624589811514 0.72146098908210 0.14573772805025 72.640 23 Ge 0.18938256897268 0.16094644924661 0.01203222694320 72.640 24 Ge 0.75805903746692 0.90247040484553 0.55606956163404 72.640 25 Cs 0.51257483421173 0.02540655379234 0.27833554551093 132.905 26 Cs 0.48742516578827 0.52540655379234 0.22166445448907 132.905 27 Cs 0.48742516578827 0.97459344620766 0.72166445448907 132.905 28 Cs 0.51257483421173 0.47459344620766 0.77833554551093 132.905 29 Cs 0.34736884974605 0.79654328487791 0.96505160479839 132.905 30 Cs 0.65263115025395 0.29654328487791 0.53494839520161 132.905 31 Cs 0.65263115025395 0.20345671512209 0.03494839520161 132.905 32 Cs 0.34736884974605 0.70345671512209 0.46505160479839 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.785628115377300 0.000000000000000 0.000000000000000 b 0.000000000000000 19.206164080000001 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): 1 Na 0.47445859187772 0.44852617227547 0.39765745577326 22.990 > 1 2 Na 0.97445859187772 0.44852617227547 0.39765745577326 22.990 > 1 3 Na 0.47445859187772 0.94852617227547 0.39765745577326 22.990 > 1 4 Na 0.97445859187772 0.94852617227547 0.39765745577326 22.990 > 1 5 Na 0.02596540754809 0.23199002425099 0.68667718659804 22.990 > 5 6 Na 0.52596540754808 0.23199002425099 0.68667718659804 22.990 > 5 7 Na 0.02596540754809 0.73199002425099 0.68667718659804 22.990 > 5 8 Na 0.52596540754808 0.73199002425099 0.68667718659804 22.990 > 5 9 Na 0.47403459245192 0.48199002425099 0.81332281340196 22.990 > 9 10 Na 0.97403459245192 0.48199002425099 0.81332281340196 22.990 > 9 11 Na 0.47403459245192 0.98199002425099 0.81332281340196 22.990 > 9 12 Na 0.97403459245192 0.98199002425099 0.81332281340196 22.990 > 9 13 Na 0.47445859187772 0.30147382772453 0.89765745577326 22.990 > 13 14 Na 0.97445859187772 0.30147382772453 0.89765745577326 22.990 > 13 15 Na 0.47445859187772 0.80147382772453 0.89765745577326 22.990 > 13 16 Na 0.97445859187772 0.80147382772453 0.89765745577326 22.990 > 13 17 Na 0.02554140812228 0.05147382772453 0.60234254422674 22.990 > 17 18 Na 0.52554140812228 0.05147382772453 0.60234254422674 22.990 > 17 19 Na 0.02554140812228 0.55147382772453 0.60234254422674 22.990 > 17 20 Na 0.52554140812228 0.55147382772453 0.60234254422674 22.990 > 17 21 Na 0.02554140812228 0.19852617227547 0.10234254422674 22.990 > 21 22 Na 0.52554140812228 0.19852617227547 0.10234254422674 22.990 > 21 23 Na 0.02554140812228 0.69852617227547 0.10234254422674 22.990 > 21 24 Na 0.52554140812228 0.69852617227547 0.10234254422674 22.990 > 21 25 Na 0.47403459245192 0.26800997574901 0.31332281340196 22.990 > 25 26 Na 0.97403459245192 0.26800997574901 0.31332281340196 22.990 > 25 27 Na 0.47403459245192 0.76800997574901 0.31332281340196 22.990 > 25 28 Na 0.97403459245192 0.76800997574901 0.31332281340196 22.990 > 25 29 Na 0.02596540754809 0.01800997574901 0.18667718659804 22.990 > 29 30 Na 0.52596540754808 0.01800997574901 0.18667718659804 22.990 > 29 31 Na 0.02596540754809 0.51800997574901 0.18667718659804 22.990 > 29 32 Na 0.52596540754808 0.51800997574901 0.18667718659804 22.990 > 29 33 Ge 0.12097048126654 0.20123520242277 0.94393043836596 72.640 > 33 34 Ge 0.62097048126654 0.20123520242277 0.94393043836596 72.640 > 33 35 Ge 0.12097048126654 0.70123520242277 0.94393043836596 72.640 > 33 36 Ge 0.62097048126654 0.70123520242277 0.94393043836596 72.640 > 33 37 Ge 0.40530871551366 0.41952677537669 0.98796777305680 72.640 > 37 38 Ge 0.90530871551366 0.41952677537669 0.98796777305680 72.640 > 37 39 Ge 0.40530871551366 0.91952677537669 0.98796777305680 72.640 > 37 40 Ge 0.90530871551366 0.91952677537669 0.98796777305680 72.640 > 37 41 Ge 0.40530871551366 0.33047322462331 0.48796777305680 72.640 > 41 42 Ge 0.90530871551366 0.33047322462331 0.48796777305680 72.640 > 41 43 Ge 0.40530871551366 0.83047322462331 0.48796777305680 72.640 > 41 44 Ge 0.90530871551366 0.83047322462331 0.48796777305680 72.640 > 41 45 Ge 0.09469128448634 0.16952677537669 0.51203222694320 72.640 > 45 46 Ge 0.59469128448634 0.16952677537669 0.51203222694320 72.640 > 45 47 Ge 0.09469128448634 0.66952677537669 0.51203222694320 72.640 > 45 48 Ge 0.59469128448634 0.66952677537669 0.51203222694320 72.640 > 45 49 Ge 0.11008971185287 0.15571953751876 0.32874154381340 72.640 > 49 50 Ge 0.61008971185287 0.15571953751876 0.32874154381340 72.640 > 49 51 Ge 0.11008971185287 0.65571953751876 0.32874154381340 72.640 > 49 52 Ge 0.61008971185287 0.65571953751876 0.32874154381340 72.640 > 49 53 Ge 0.38991028814713 0.40571953751876 0.17125845618660 72.640 > 53 54 Ge 0.88991028814713 0.40571953751876 0.17125845618660 72.640 > 53 55 Ge 0.38991028814713 0.90571953751876 0.17125845618660 72.640 > 53 56 Ge 0.88991028814713 0.90571953751876 0.17125845618660 72.640 > 53 57 Ge 0.38991028814713 0.34428046248124 0.67125845618660 72.640 > 57 58 Ge 0.88991028814713 0.34428046248124 0.67125845618660 72.640 > 57 59 Ge 0.38991028814713 0.84428046248124 0.67125845618660 72.640 > 57 60 Ge 0.88991028814713 0.84428046248124 0.67125845618660 72.640 > 57 61 Ge 0.11008971185287 0.09428046248124 0.82874154381340 72.640 > 61 62 Ge 0.61008971185287 0.09428046248124 0.82874154381340 72.640 > 61 63 Ge 0.11008971185287 0.59428046248124 0.82874154381340 72.640 > 61 64 Ge 0.61008971185287 0.59428046248124 0.82874154381340 72.640 > 61 65 Ge 0.47187705094243 0.11073049454105 0.35426227194975 72.640 > 65 66 Ge 0.97187705094243 0.11073049454105 0.35426227194975 72.640 > 65 67 Ge 0.47187705094243 0.61073049454105 0.35426227194975 72.640 > 65 68 Ge 0.97187705094243 0.61073049454105 0.35426227194975 72.640 > 65 69 Ge 0.37902951873346 0.29876479757723 0.05606956163405 72.640 > 69 70 Ge 0.87902951873346 0.29876479757723 0.05606956163405 72.640 > 69 71 Ge 0.37902951873346 0.79876479757723 0.05606956163405 72.640 > 69 72 Ge 0.87902951873346 0.79876479757723 0.05606956163405 72.640 > 69 73 Ge 0.12097048126654 0.04876479757723 0.44393043836596 72.640 > 73 74 Ge 0.62097048126654 0.04876479757723 0.44393043836596 72.640 > 73 75 Ge 0.12097048126654 0.54876479757723 0.44393043836596 72.640 > 73 76 Ge 0.62097048126654 0.54876479757723 0.44393043836596 72.640 > 73 77 Ge 0.47187705094243 0.13926950545895 0.85426227194975 72.640 > 77 78 Ge 0.97187705094243 0.13926950545895 0.85426227194975 72.640 > 77 79 Ge 0.47187705094243 0.63926950545895 0.85426227194975 72.640 > 77 80 Ge 0.97187705094243 0.63926950545895 0.85426227194975 72.640 > 77 81 Ge 0.02812294905757 0.38926950545895 0.64573772805025 72.640 > 81 82 Ge 0.52812294905757 0.38926950545895 0.64573772805025 72.640 > 81 83 Ge 0.02812294905757 0.88926950545895 0.64573772805025 72.640 > 81 84 Ge 0.52812294905757 0.88926950545895 0.64573772805025 72.640 > 81 85 Ge 0.02812294905757 0.36073049454105 0.14573772805025 72.640 > 85 86 Ge 0.52812294905757 0.36073049454105 0.14573772805025 72.640 > 85 87 Ge 0.02812294905757 0.86073049454105 0.14573772805025 72.640 > 85 88 Ge 0.52812294905757 0.86073049454105 0.14573772805025 72.640 > 85 89 Ge 0.09469128448634 0.08047322462331 0.01203222694320 72.640 > 89 90 Ge 0.59469128448634 0.08047322462331 0.01203222694320 72.640 > 89 91 Ge 0.09469128448634 0.58047322462331 0.01203222694320 72.640 > 89 92 Ge 0.59469128448634 0.58047322462331 0.01203222694320 72.640 > 89 93 Ge 0.37902951873346 0.45123520242277 0.55606956163404 72.640 > 93 94 Ge 0.87902951873346 0.45123520242277 0.55606956163404 72.640 > 93 95 Ge 0.37902951873346 0.95123520242277 0.55606956163404 72.640 > 93 96 Ge 0.87902951873346 0.95123520242277 0.55606956163404 72.640 > 93 97 Cs 0.25628741710586 0.01270327689617 0.27833554551093 132.905 > 97 98 Cs 0.75628741710586 0.01270327689617 0.27833554551093 132.905 > 97 99 Cs 0.25628741710586 0.51270327689617 0.27833554551093 132.905 > 97 100 Cs 0.75628741710586 0.51270327689617 0.27833554551093 132.905 > 97 101 Cs 0.24371258289414 0.26270327689617 0.22166445448907 132.905 > 101 102 Cs 0.74371258289414 0.26270327689617 0.22166445448907 132.905 > 101 103 Cs 0.24371258289414 0.76270327689617 0.22166445448907 132.905 > 101 104 Cs 0.74371258289414 0.76270327689617 0.22166445448907 132.905 > 101 105 Cs 0.24371258289414 0.48729672310383 0.72166445448907 132.905 > 105 106 Cs 0.74371258289414 0.48729672310383 0.72166445448907 132.905 > 105 107 Cs 0.24371258289414 0.98729672310383 0.72166445448907 132.905 > 105 108 Cs 0.74371258289414 0.98729672310383 0.72166445448907 132.905 > 105 109 Cs 0.25628741710586 0.23729672310383 0.77833554551093 132.905 > 109 110 Cs 0.75628741710586 0.23729672310383 0.77833554551093 132.905 > 109 111 Cs 0.25628741710586 0.73729672310383 0.77833554551093 132.905 > 109 112 Cs 0.75628741710586 0.73729672310383 0.77833554551093 132.905 > 109 113 Cs 0.17368442487303 0.39827164243895 0.96505160479839 132.905 > 113 114 Cs 0.67368442487303 0.39827164243895 0.96505160479839 132.905 > 113 115 Cs 0.17368442487303 0.89827164243895 0.96505160479839 132.905 > 113 116 Cs 0.67368442487303 0.89827164243895 0.96505160479839 132.905 > 113 117 Cs 0.32631557512697 0.14827164243895 0.53494839520161 132.905 > 117 118 Cs 0.82631557512697 0.14827164243895 0.53494839520161 132.905 > 117 119 Cs 0.32631557512697 0.64827164243895 0.53494839520161 132.905 > 117 120 Cs 0.82631557512697 0.64827164243895 0.53494839520161 132.905 > 117 121 Cs 0.32631557512697 0.10172835756105 0.03494839520161 132.905 > 121 122 Cs 0.82631557512697 0.10172835756105 0.03494839520161 132.905 > 121 123 Cs 0.32631557512697 0.60172835756105 0.03494839520161 132.905 > 121 124 Cs 0.82631557512697 0.60172835756105 0.03494839520161 132.905 > 121 125 Cs 0.17368442487303 0.35172835756105 0.46505160479839 132.905 > 125 126 Cs 0.67368442487303 0.35172835756105 0.46505160479839 132.905 > 125 127 Cs 0.17368442487303 0.85172835756105 0.46505160479839 132.905 > 125 128 Cs 0.67368442487303 0.85172835756105 0.46505160479839 132.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2162422 0.0000000 -0.9246677 0.0000000 8.8028822 0.0000000 -0.9245970 0.0000000 10.3458963 -------------------------- Born effective charges -------------------------- 1 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 2 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 3 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 4 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 5 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 6 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 7 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 8 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 9 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 10 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 11 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 12 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 13 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 14 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 15 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 16 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 17 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 18 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 19 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 20 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 21 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 22 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 23 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 24 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 25 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 26 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 27 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 28 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 29 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 30 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 31 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 32 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, 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] [-0.0036 0.0000 0.0093] [ 0.0036 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 37, 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] [-0.0036 0.0000 0.0093] [ 0.0036 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] [-0.0036 0.0000 0.0093] [ 0.0036 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] [-0.0036 0.0000 0.0093] [ 0.0036 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:16:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:16:33]------------------------- 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 8.392814057688650 0.000000000000000 0.000000000000000 b 0.000000000000000 9.603082040000000 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): 1 Na 0.94891718375544 0.89705234455094 0.39765745577326 22.990 2 Na 0.05193081509617 0.46398004850198 0.68667718659804 22.990 3 Na 0.94806918490383 0.96398004850198 0.81332281340196 22.990 4 Na 0.94891718375544 0.60294765544906 0.89765745577326 22.990 5 Na 0.05108281624456 0.10294765544906 0.60234254422674 22.990 6 Na 0.05108281624456 0.39705234455094 0.10234254422674 22.990 7 Na 0.94806918490383 0.53601995149802 0.31332281340196 22.990 8 Na 0.05193081509617 0.03601995149802 0.18667718659804 22.990 9 Ge 0.24194096253308 0.40247040484553 0.94393043836596 72.640 10 Ge 0.81061743102732 0.83905355075338 0.98796777305680 72.640 11 Ge 0.81061743102732 0.66094644924662 0.48796777305680 72.640 12 Ge 0.18938256897268 0.33905355075339 0.51203222694320 72.640 13 Ge 0.22017942370574 0.31143907503751 0.32874154381340 72.640 14 Ge 0.77982057629426 0.81143907503751 0.17125845618660 72.640 15 Ge 0.77982057629426 0.68856092496249 0.67125845618660 72.640 16 Ge 0.22017942370574 0.18856092496249 0.82874154381340 72.640 17 Ge 0.94375410188486 0.22146098908210 0.35426227194975 72.640 18 Ge 0.75805903746692 0.59752959515447 0.05606956163405 72.640 19 Ge 0.24194096253308 0.09752959515447 0.44393043836596 72.640 20 Ge 0.94375410188486 0.27853901091790 0.85426227194975 72.640 21 Ge 0.05624589811514 0.77853901091790 0.64573772805025 72.640 22 Ge 0.05624589811514 0.72146098908210 0.14573772805025 72.640 23 Ge 0.18938256897268 0.16094644924661 0.01203222694320 72.640 24 Ge 0.75805903746692 0.90247040484553 0.55606956163404 72.640 25 Cs 0.51257483421173 0.02540655379234 0.27833554551093 132.905 26 Cs 0.48742516578827 0.52540655379234 0.22166445448907 132.905 27 Cs 0.48742516578827 0.97459344620766 0.72166445448907 132.905 28 Cs 0.51257483421173 0.47459344620766 0.77833554551093 132.905 29 Cs 0.34736884974605 0.79654328487791 0.96505160479839 132.905 30 Cs 0.65263115025395 0.29654328487791 0.53494839520161 132.905 31 Cs 0.65263115025395 0.20345671512209 0.03494839520161 132.905 32 Cs 0.34736884974605 0.70345671512209 0.46505160479839 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.785628115377300 0.000000000000000 0.000000000000000 b 0.000000000000000 19.206164080000001 0.000000000000000 c -4.818518297532110 0.000000000000000 12.311872320155306 Atomic positions (fractional): 1 Na 0.47445859187772 0.44852617227547 0.39765745577326 22.990 > 1 2 Na 0.97445859187772 0.44852617227547 0.39765745577326 22.990 > 1 3 Na 0.47445859187772 0.94852617227547 0.39765745577326 22.990 > 1 4 Na 0.97445859187772 0.94852617227547 0.39765745577326 22.990 > 1 5 Na 0.02596540754809 0.23199002425099 0.68667718659804 22.990 > 5 6 Na 0.52596540754808 0.23199002425099 0.68667718659804 22.990 > 5 7 Na 0.02596540754809 0.73199002425099 0.68667718659804 22.990 > 5 8 Na 0.52596540754808 0.73199002425099 0.68667718659804 22.990 > 5 9 Na 0.47403459245192 0.48199002425099 0.81332281340196 22.990 > 9 10 Na 0.97403459245192 0.48199002425099 0.81332281340196 22.990 > 9 11 Na 0.47403459245192 0.98199002425099 0.81332281340196 22.990 > 9 12 Na 0.97403459245192 0.98199002425099 0.81332281340196 22.990 > 9 13 Na 0.47445859187772 0.30147382772453 0.89765745577326 22.990 > 13 14 Na 0.97445859187772 0.30147382772453 0.89765745577326 22.990 > 13 15 Na 0.47445859187772 0.80147382772453 0.89765745577326 22.990 > 13 16 Na 0.97445859187772 0.80147382772453 0.89765745577326 22.990 > 13 17 Na 0.02554140812228 0.05147382772453 0.60234254422674 22.990 > 17 18 Na 0.52554140812228 0.05147382772453 0.60234254422674 22.990 > 17 19 Na 0.02554140812228 0.55147382772453 0.60234254422674 22.990 > 17 20 Na 0.52554140812228 0.55147382772453 0.60234254422674 22.990 > 17 21 Na 0.02554140812228 0.19852617227547 0.10234254422674 22.990 > 21 22 Na 0.52554140812228 0.19852617227547 0.10234254422674 22.990 > 21 23 Na 0.02554140812228 0.69852617227547 0.10234254422674 22.990 > 21 24 Na 0.52554140812228 0.69852617227547 0.10234254422674 22.990 > 21 25 Na 0.47403459245192 0.26800997574901 0.31332281340196 22.990 > 25 26 Na 0.97403459245192 0.26800997574901 0.31332281340196 22.990 > 25 27 Na 0.47403459245192 0.76800997574901 0.31332281340196 22.990 > 25 28 Na 0.97403459245192 0.76800997574901 0.31332281340196 22.990 > 25 29 Na 0.02596540754809 0.01800997574901 0.18667718659804 22.990 > 29 30 Na 0.52596540754808 0.01800997574901 0.18667718659804 22.990 > 29 31 Na 0.02596540754809 0.51800997574901 0.18667718659804 22.990 > 29 32 Na 0.52596540754808 0.51800997574901 0.18667718659804 22.990 > 29 33 Ge 0.12097048126654 0.20123520242277 0.94393043836596 72.640 > 33 34 Ge 0.62097048126654 0.20123520242277 0.94393043836596 72.640 > 33 35 Ge 0.12097048126654 0.70123520242277 0.94393043836596 72.640 > 33 36 Ge 0.62097048126654 0.70123520242277 0.94393043836596 72.640 > 33 37 Ge 0.40530871551366 0.41952677537669 0.98796777305680 72.640 > 37 38 Ge 0.90530871551366 0.41952677537669 0.98796777305680 72.640 > 37 39 Ge 0.40530871551366 0.91952677537669 0.98796777305680 72.640 > 37 40 Ge 0.90530871551366 0.91952677537669 0.98796777305680 72.640 > 37 41 Ge 0.40530871551366 0.33047322462331 0.48796777305680 72.640 > 41 42 Ge 0.90530871551366 0.33047322462331 0.48796777305680 72.640 > 41 43 Ge 0.40530871551366 0.83047322462331 0.48796777305680 72.640 > 41 44 Ge 0.90530871551366 0.83047322462331 0.48796777305680 72.640 > 41 45 Ge 0.09469128448634 0.16952677537669 0.51203222694320 72.640 > 45 46 Ge 0.59469128448634 0.16952677537669 0.51203222694320 72.640 > 45 47 Ge 0.09469128448634 0.66952677537669 0.51203222694320 72.640 > 45 48 Ge 0.59469128448634 0.66952677537669 0.51203222694320 72.640 > 45 49 Ge 0.11008971185287 0.15571953751876 0.32874154381340 72.640 > 49 50 Ge 0.61008971185287 0.15571953751876 0.32874154381340 72.640 > 49 51 Ge 0.11008971185287 0.65571953751876 0.32874154381340 72.640 > 49 52 Ge 0.61008971185287 0.65571953751876 0.32874154381340 72.640 > 49 53 Ge 0.38991028814713 0.40571953751876 0.17125845618660 72.640 > 53 54 Ge 0.88991028814713 0.40571953751876 0.17125845618660 72.640 > 53 55 Ge 0.38991028814713 0.90571953751876 0.17125845618660 72.640 > 53 56 Ge 0.88991028814713 0.90571953751876 0.17125845618660 72.640 > 53 57 Ge 0.38991028814713 0.34428046248124 0.67125845618660 72.640 > 57 58 Ge 0.88991028814713 0.34428046248124 0.67125845618660 72.640 > 57 59 Ge 0.38991028814713 0.84428046248124 0.67125845618660 72.640 > 57 60 Ge 0.88991028814713 0.84428046248124 0.67125845618660 72.640 > 57 61 Ge 0.11008971185287 0.09428046248124 0.82874154381340 72.640 > 61 62 Ge 0.61008971185287 0.09428046248124 0.82874154381340 72.640 > 61 63 Ge 0.11008971185287 0.59428046248124 0.82874154381340 72.640 > 61 64 Ge 0.61008971185287 0.59428046248124 0.82874154381340 72.640 > 61 65 Ge 0.47187705094243 0.11073049454105 0.35426227194975 72.640 > 65 66 Ge 0.97187705094243 0.11073049454105 0.35426227194975 72.640 > 65 67 Ge 0.47187705094243 0.61073049454105 0.35426227194975 72.640 > 65 68 Ge 0.97187705094243 0.61073049454105 0.35426227194975 72.640 > 65 69 Ge 0.37902951873346 0.29876479757723 0.05606956163405 72.640 > 69 70 Ge 0.87902951873346 0.29876479757723 0.05606956163405 72.640 > 69 71 Ge 0.37902951873346 0.79876479757723 0.05606956163405 72.640 > 69 72 Ge 0.87902951873346 0.79876479757723 0.05606956163405 72.640 > 69 73 Ge 0.12097048126654 0.04876479757723 0.44393043836596 72.640 > 73 74 Ge 0.62097048126654 0.04876479757723 0.44393043836596 72.640 > 73 75 Ge 0.12097048126654 0.54876479757723 0.44393043836596 72.640 > 73 76 Ge 0.62097048126654 0.54876479757723 0.44393043836596 72.640 > 73 77 Ge 0.47187705094243 0.13926950545895 0.85426227194975 72.640 > 77 78 Ge 0.97187705094243 0.13926950545895 0.85426227194975 72.640 > 77 79 Ge 0.47187705094243 0.63926950545895 0.85426227194975 72.640 > 77 80 Ge 0.97187705094243 0.63926950545895 0.85426227194975 72.640 > 77 81 Ge 0.02812294905757 0.38926950545895 0.64573772805025 72.640 > 81 82 Ge 0.52812294905757 0.38926950545895 0.64573772805025 72.640 > 81 83 Ge 0.02812294905757 0.88926950545895 0.64573772805025 72.640 > 81 84 Ge 0.52812294905757 0.88926950545895 0.64573772805025 72.640 > 81 85 Ge 0.02812294905757 0.36073049454105 0.14573772805025 72.640 > 85 86 Ge 0.52812294905757 0.36073049454105 0.14573772805025 72.640 > 85 87 Ge 0.02812294905757 0.86073049454105 0.14573772805025 72.640 > 85 88 Ge 0.52812294905757 0.86073049454105 0.14573772805025 72.640 > 85 89 Ge 0.09469128448634 0.08047322462331 0.01203222694320 72.640 > 89 90 Ge 0.59469128448634 0.08047322462331 0.01203222694320 72.640 > 89 91 Ge 0.09469128448634 0.58047322462331 0.01203222694320 72.640 > 89 92 Ge 0.59469128448634 0.58047322462331 0.01203222694320 72.640 > 89 93 Ge 0.37902951873346 0.45123520242277 0.55606956163404 72.640 > 93 94 Ge 0.87902951873346 0.45123520242277 0.55606956163404 72.640 > 93 95 Ge 0.37902951873346 0.95123520242277 0.55606956163404 72.640 > 93 96 Ge 0.87902951873346 0.95123520242277 0.55606956163404 72.640 > 93 97 Cs 0.25628741710586 0.01270327689617 0.27833554551093 132.905 > 97 98 Cs 0.75628741710586 0.01270327689617 0.27833554551093 132.905 > 97 99 Cs 0.25628741710586 0.51270327689617 0.27833554551093 132.905 > 97 100 Cs 0.75628741710586 0.51270327689617 0.27833554551093 132.905 > 97 101 Cs 0.24371258289414 0.26270327689617 0.22166445448907 132.905 > 101 102 Cs 0.74371258289414 0.26270327689617 0.22166445448907 132.905 > 101 103 Cs 0.24371258289414 0.76270327689617 0.22166445448907 132.905 > 101 104 Cs 0.74371258289414 0.76270327689617 0.22166445448907 132.905 > 101 105 Cs 0.24371258289414 0.48729672310383 0.72166445448907 132.905 > 105 106 Cs 0.74371258289414 0.48729672310383 0.72166445448907 132.905 > 105 107 Cs 0.24371258289414 0.98729672310383 0.72166445448907 132.905 > 105 108 Cs 0.74371258289414 0.98729672310383 0.72166445448907 132.905 > 105 109 Cs 0.25628741710586 0.23729672310383 0.77833554551093 132.905 > 109 110 Cs 0.75628741710586 0.23729672310383 0.77833554551093 132.905 > 109 111 Cs 0.25628741710586 0.73729672310383 0.77833554551093 132.905 > 109 112 Cs 0.75628741710586 0.73729672310383 0.77833554551093 132.905 > 109 113 Cs 0.17368442487303 0.39827164243895 0.96505160479839 132.905 > 113 114 Cs 0.67368442487303 0.39827164243895 0.96505160479839 132.905 > 113 115 Cs 0.17368442487303 0.89827164243895 0.96505160479839 132.905 > 113 116 Cs 0.67368442487303 0.89827164243895 0.96505160479839 132.905 > 113 117 Cs 0.32631557512697 0.14827164243895 0.53494839520161 132.905 > 117 118 Cs 0.82631557512697 0.14827164243895 0.53494839520161 132.905 > 117 119 Cs 0.32631557512697 0.64827164243895 0.53494839520161 132.905 > 117 120 Cs 0.82631557512697 0.64827164243895 0.53494839520161 132.905 > 117 121 Cs 0.32631557512697 0.10172835756105 0.03494839520161 132.905 > 121 122 Cs 0.82631557512697 0.10172835756105 0.03494839520161 132.905 > 121 123 Cs 0.32631557512697 0.60172835756105 0.03494839520161 132.905 > 121 124 Cs 0.82631557512697 0.60172835756105 0.03494839520161 132.905 > 121 125 Cs 0.17368442487303 0.35172835756105 0.46505160479839 132.905 > 125 126 Cs 0.67368442487303 0.35172835756105 0.46505160479839 132.905 > 125 127 Cs 0.17368442487303 0.85172835756105 0.46505160479839 132.905 > 125 128 Cs 0.67368442487303 0.85172835756105 0.46505160479839 132.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2162422 0.0000000 -0.9246677 0.0000000 8.8028822 0.0000000 -0.9245970 0.0000000 10.3458963 -------------------------- Born effective charges -------------------------- 1 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 2 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 3 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 4 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 5 Na 0.5700840 0.3629804 -0.4826480 0.4772861 1.0004295 0.0412850 -0.3918878 -0.0323211 1.3593772 6 Na 0.5700840 -0.3629804 -0.4826480 -0.4772861 1.0004295 -0.0412850 -0.3918878 0.0323211 1.3593772 7 Na 0.5468177 -0.3407949 -0.1918938 -0.3861651 1.3009917 -0.3713004 -0.3141064 -0.4226932 1.3965142 8 Na 0.5468177 0.3407949 -0.1918938 0.3861651 1.3009917 0.3713004 -0.3141064 0.4226932 1.3965142 9 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 10 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 11 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 12 Ge -0.6997821 0.0768371 0.3318404 -0.1902969 -1.0326184 -0.7424651 0.0998032 -1.0430580 -2.2865997 13 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 14 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 15 Ge -1.3647617 -0.3710619 0.6875253 -0.6615894 -1.0282611 0.4428302 0.9409288 0.3399702 -1.6388146 16 Ge -1.3647617 0.3710619 0.6875253 0.6615894 -1.0282611 -0.4428302 0.9409288 -0.3399702 -1.6388146 17 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 18 Ge -0.7754665 -0.4020892 -0.0658616 -0.7596043 -2.1130657 -0.4728714 0.0559423 -0.2771328 -0.7290291 19 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 20 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 21 Ge -1.8438893 -0.0526334 -0.6871763 -0.0408274 -0.6299107 -0.0258810 -0.7434999 -0.0484540 -0.7010089 22 Ge -1.8438893 0.0526334 -0.6871763 0.0408274 -0.6299107 0.0258810 -0.7434999 0.0484540 -0.7010089 23 Ge -0.6997821 -0.0768371 0.3318404 0.1902969 -1.0326184 0.7424651 0.0998032 1.0430580 -2.2865997 24 Ge -0.7754665 0.4020892 -0.0658616 0.7596043 -2.1130657 0.4728714 0.0559423 0.2771328 -0.7290291 25 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 26 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 27 Cs 1.9299490 -0.1989338 0.1225577 -0.2809505 1.1717786 -0.1747961 0.0469749 0.0607668 1.5826936 28 Cs 1.9299490 0.1989338 0.1225577 0.2809505 1.1717786 0.1747961 0.0469749 -0.0607668 1.5826936 29 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 30 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 31 Cs 1.6370488 -0.0948024 0.2856563 -0.1153406 1.3306561 -0.0182937 0.3058449 -0.0742938 1.0168673 32 Cs 1.6370488 0.0948024 0.2856563 0.1153406 1.3306561 0.0182937 0.3058449 0.0742938 1.0168673 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.603 ( 0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 0.987 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.104 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 12.218 0.000 3.277) 12.650 0.300 ( 12.921 0.000 3.949) 13.511 0.542 ( 21.460 0.000 8.819) 23.201 0.592 ( -0.675 0.000 -0.472) 0.824 0.709 ( 1.833 0.000 -0.343) 1.865 0.744 ( 1.381 0.000 0.967) 1.685 0.933 ( -1.872 0.000 -5.118) 5.449 0.987 ( -1.997 0.000 1.158) 2.308 1.000 ( 1.740 0.000 -3.183) 3.627 1.019 ( -2.342 0.000 -0.582) 2.413 1.090 ( -1.627 0.000 -1.707) 2.358 1.108 ( 0.092 0.000 0.885) 0.890 1.173 ( -1.581 0.000 0.821) 1.781 1.175 ( -1.161 0.000 3.082) 3.293 1.210 ( 3.583 0.000 -4.341) 5.628 1.251 ( 0.186 0.000 2.526) 2.533 1.261 ( -1.450 0.000 2.539) 2.924 1.330 ( -1.260 0.000 0.941) 1.573 1.381 ( -2.820 0.000 -1.753) 3.321 1.383 ( 1.022 0.000 -1.663) 1.952 1.427 ( 0.611 0.000 -0.323) 0.691 1.438 ( 1.181 0.000 1.088) 1.606 1.478 ( 1.019 0.000 0.290) 1.059 1.500 ( 1.227 0.000 2.286) 2.594 1.518 ( 0.534 0.000 1.484) 1.577 1.588 ( -5.160 0.000 -2.878) 5.909 1.598 ( 0.410 0.000 -0.744) 0.850 1.608 ( 3.242 0.000 -0.430) 3.271 1.631 ( -3.320 0.000 1.299) 3.565 1.677 ( -5.741 0.000 -3.620) 6.787 1.744 ( 1.968 0.000 0.291) 1.990 1.829 ( -2.901 0.000 3.585) 4.612 1.860 ( -1.098 0.000 -1.497) 1.857 1.868 ( 2.030 0.000 1.450) 2.495 1.893 ( 2.239 0.000 -4.079) 4.653 1.906 ( 0.387 0.000 1.313) 1.369 1.939 ( -1.862 0.000 -1.280) 2.260 2.029 ( 4.680 0.000 -1.057) 4.798 2.031 ( -0.132 0.000 4.150) 4.152 2.101 ( 3.574 0.000 -0.002) 3.574 2.102 ( -3.575 0.000 -2.097) 4.145 2.147 ( -0.739 0.000 0.046) 0.741 2.158 ( -0.490 0.000 0.038) 0.491 2.222 ( -1.092 0.000 0.204) 1.111 2.253 ( -0.968 0.000 0.132) 0.977 2.371 ( -1.431 0.000 -1.055) 1.778 2.524 ( 0.027 0.000 1.286) 1.287 2.618 ( 0.362 0.000 -0.271) 0.452 3.252 ( 0.149 0.000 -0.038) 0.154 3.323 ( 0.021 0.000 0.147) 0.149 3.391 ( 0.523 0.000 -0.299) 0.603 3.399 ( -0.018 0.000 0.429) 0.430 3.596 ( -0.274 0.000 -0.861) 0.904 3.610 ( 0.549 0.000 0.722) 0.907 3.721 ( -0.214 0.000 -0.431) 0.481 3.792 ( 0.625 0.000 0.022) 0.626 3.849 ( -0.123 0.000 -0.186) 0.223 3.875 ( 0.444 0.000 0.511) 0.677 3.985 ( -0.985 0.000 -0.574) 1.140 4.179 ( -2.036 0.000 2.618) 3.316 4.192 ( 1.011 0.000 -2.926) 3.095 4.245 ( -0.480 0.000 0.691) 0.841 4.342 ( -1.025 0.000 2.092) 2.329 4.353 ( 0.481 0.000 -0.622) 0.787 4.429 ( 0.192 0.000 -0.057) 0.200 4.441 ( -0.868 0.000 1.677) 1.888 4.482 ( -0.383 0.000 -0.875) 0.956 4.583 ( 0.188 0.000 -0.092) 0.209 4.680 ( -0.362 0.000 -0.136) 0.386 4.740 ( -1.249 0.000 -0.840) 1.505 4.750 ( -0.606 0.000 0.939) 1.117 4.819 ( 0.009 0.000 0.842) 0.842 4.885 ( 0.089 0.000 0.127) 0.155 5.246 ( -3.322 0.000 6.673) 7.455 5.319 ( -0.053 0.000 -0.476) 0.479 5.360 ( 0.039 0.000 0.163) 0.168 5.447 ( 2.202 0.000 -6.065) 6.452 5.613 ( 1.290 0.000 0.623) 1.433 5.664 ( -0.077 0.000 -0.609) 0.613 5.709 ( 0.184 0.000 -0.166) 0.248 5.726 ( 0.143 0.000 -0.082) 0.164 5.831 ( -0.416 0.000 0.475) 0.631 5.850 ( 0.511 0.000 -0.452) 0.682 5.958 ( 0.101 0.000 0.199) 0.223 6.033 ( 0.305 0.000 -1.449) 1.481 6.074 ( -0.223 0.000 0.210) 0.307 6.140 ( -0.373 0.000 0.423) 0.564 6.184 ( -0.148 0.000 0.262) 0.301 6.269 ( 0.067 0.000 -0.244) 0.254 6.340 ( -0.088 0.000 0.025) 0.091 6.392 ( -0.076 0.000 0.052) 0.092 6.520 ( -0.192 0.000 0.271) 0.332 8.157 ( 0.188 0.000 0.091) 0.209 8.199 ( 0.040 0.000 -0.041) 0.057 8.210 ( -0.260 0.000 -0.067) 0.269 8.218 ( -0.164 0.000 0.188) 0.249 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 7.392 0.000 1.761) 7.599 0.558 ( 10.005 0.000 2.415) 10.292 0.580 ( 0.179 0.000 -0.623) 0.649 0.736 ( 0.028 0.000 0.436) 0.437 0.753 ( 2.391 0.000 0.158) 2.396 0.878 ( 0.473 0.000 -3.433) 3.466 0.886 ( -2.102 0.000 3.461) 4.049 0.977 ( -0.217 0.000 4.371) 4.377 1.014 ( 1.923 0.000 -3.987) 4.426 1.035 ( 9.541 0.000 -1.589) 9.672 1.071 ( 0.003 0.000 -0.341) 0.341 1.126 ( 0.356 0.000 1.368) 1.413 1.168 ( 0.262 0.000 0.729) 0.774 1.189 ( 1.065 0.000 2.360) 2.589 1.210 ( -3.136 0.000 0.463) 3.170 1.259 ( 4.366 0.000 -2.288) 4.929 1.270 ( -0.843 0.000 1.936) 2.111 1.310 ( -1.234 0.000 2.028) 2.374 1.338 ( -0.652 0.000 0.061) 0.654 1.371 ( -2.632 0.000 -1.111) 2.857 1.403 ( -1.471 0.000 -1.937) 2.432 1.419 ( -2.604 0.000 -1.774) 3.151 1.453 ( -3.425 0.000 2.478) 4.227 1.502 ( 0.381 0.000 -0.717) 0.812 1.509 ( -4.405 0.000 -3.766) 5.795 1.514 ( -0.868 0.000 1.007) 1.329 1.572 ( 1.455 0.000 0.572) 1.563 1.613 ( 3.921 0.000 -2.790) 4.812 1.634 ( -0.260 0.000 2.921) 2.933 1.703 ( 4.166 0.000 2.178) 4.701 1.767 ( 0.261 0.000 -0.268) 0.374 1.819 ( -0.259 0.000 2.221) 2.236 1.828 ( -0.358 0.000 -1.732) 1.769 1.874 ( 0.373 0.000 -5.032) 5.045 1.900 ( -0.416 0.000 1.143) 1.216 1.939 ( 1.558 0.000 1.394) 2.091 1.942 ( 1.200 0.000 1.408) 1.850 1.989 ( -4.471 0.000 -3.395) 5.614 2.046 ( -3.293 0.000 2.011) 3.858 2.087 ( 0.742 0.000 -1.409) 1.592 2.092 ( -3.580 0.000 -0.323) 3.594 2.136 ( -0.500 0.000 0.455) 0.675 2.155 ( 2.223 0.000 -1.492) 2.678 2.197 ( -1.718 0.000 0.627) 1.829 2.257 ( 1.456 0.000 0.702) 1.616 2.340 ( -0.902 0.000 -0.647) 1.110 2.531 ( -0.077 0.000 1.066) 1.069 2.627 ( 0.758 0.000 -0.389) 0.852 3.255 ( 0.233 0.000 -0.033) 0.236 3.326 ( 0.053 0.000 0.178) 0.186 3.398 ( -0.350 0.000 0.471) 0.587 3.401 ( 0.575 0.000 0.024) 0.575 3.583 ( -0.293 0.000 -0.744) 0.799 3.634 ( 0.944 0.000 0.938) 1.331 3.712 ( -0.228 0.000 -0.549) 0.595 3.803 ( 0.223 0.000 0.417) 0.473 3.844 ( -0.162 0.000 -0.243) 0.292 3.891 ( 0.590 0.000 0.601) 0.842 3.956 ( -1.220 0.000 -0.690) 1.401 4.155 ( -1.370 0.000 0.591) 1.492 4.190 ( 0.288 0.000 -0.803) 0.853 4.241 ( -0.192 0.000 0.138) 0.237 4.339 ( -0.569 0.000 1.225) 1.351 4.357 ( 0.085 0.000 0.205) 0.222 4.433 ( 0.062 0.000 0.314) 0.320 4.437 ( -0.419 0.000 0.639) 0.765 4.466 ( -0.331 0.000 -1.181) 1.227 4.585 ( 0.083 0.000 -0.098) 0.128 4.671 ( -0.392 0.000 -0.135) 0.414 4.707 ( -1.269 0.000 -0.687) 1.443 4.745 ( -0.377 0.000 0.309) 0.487 4.824 ( -0.045 0.000 0.593) 0.595 4.888 ( 0.083 0.000 0.128) 0.152 5.230 ( -1.502 0.000 1.890) 2.414 5.315 ( 0.007 0.000 -0.405) 0.405 5.362 ( 0.034 0.000 0.165) 0.168 5.445 ( 0.712 0.000 -1.957) 2.082 5.647 ( 0.823 0.000 1.799) 1.978 5.658 ( 0.444 0.000 -1.797) 1.851 5.712 ( 0.173 0.000 -0.153) 0.231 5.728 ( 0.182 0.000 -0.121) 0.218 5.830 ( -0.020 0.000 0.437) 0.438 5.853 ( 0.126 0.000 -0.528) 0.543 5.962 ( 0.097 0.000 0.199) 0.221 6.027 ( -0.066 0.000 -0.481) 0.485 6.071 ( -0.218 0.000 0.227) 0.315 6.135 ( -0.437 0.000 0.406) 0.597 6.183 ( -0.123 0.000 0.288) 0.313 6.268 ( 0.062 0.000 -0.259) 0.267 6.338 ( -0.116 0.000 0.013) 0.117 6.391 ( -0.075 0.000 0.060) 0.097 6.518 ( -0.211 0.000 0.281) 0.351 8.162 ( 0.198 0.000 0.091) 0.218 8.200 ( 0.056 0.000 -0.048) 0.074 8.204 ( -0.278 0.000 -0.068) 0.286 8.216 ( -0.186 0.000 0.193) 0.268 ======================= Grid point 3 (4/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 0.000 -0.000) 0.000 0.585 ( 0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 0.000) 0.000 0.729 ( 0.000 0.000 -0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 -0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 -0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 -0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.260 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 -0.000) 0.000 1.361 ( 0.000 0.000 -0.000) 0.000 1.367 ( 0.000 0.000 -0.000) 0.000 1.440 ( -0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 -0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 -0.000) 0.000 1.668 ( 0.000 0.000 -0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.896 ( -0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 -0.000) 0.000 1.913 ( 0.000 0.000 -0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 -0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 -0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 -0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 -0.000) 0.000 4.143 ( 0.000 0.000 -0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.359 ( -0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 -0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.457 ( -0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 -0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 -0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 -0.000) 0.000 5.964 ( 0.000 0.000 -0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 -0.000) 0.000 8.200 ( 0.000 0.000 -0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/42) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 0.000 13.377 0.000) 13.377 0.366 ( 0.000 16.614 0.000) 16.614 0.539 ( 0.000 22.067 0.000) 22.067 0.626 ( 0.000 2.315 0.000) 2.315 0.688 ( 0.000 -2.817 0.000) 2.817 0.788 ( 0.000 5.179 0.000) 5.179 0.966 ( 0.000 -0.695 0.000) 0.695 0.977 ( 0.000 -1.094 0.000) 1.094 1.028 ( 0.000 2.413 0.000) 2.413 1.089 ( 0.000 -0.659 0.000) 0.659 1.114 ( 0.000 0.172 0.000) 0.172 1.131 ( 0.000 0.972 0.000) 0.972 1.143 ( 0.000 -2.563 0.000) 2.563 1.145 ( 0.000 -2.205 0.000) 2.205 1.225 ( 0.000 1.431 0.000) 1.431 1.243 ( 0.000 -0.403 0.000) 0.403 1.251 ( 0.000 -0.082 0.000) 0.082 1.331 ( 0.000 -0.515 0.000) 0.515 1.338 ( 0.000 -1.043 0.000) 1.043 1.386 ( 0.000 0.824 0.000) 0.824 1.403 ( 0.000 -1.179 0.000) 1.179 1.450 ( 0.000 0.639 0.000) 0.639 1.490 ( 0.000 -6.094 0.000) 6.094 1.504 ( 0.000 2.228 0.000) 2.228 1.520 ( 0.000 0.789 0.000) 0.789 1.543 ( 0.000 -2.331 0.000) 2.331 1.591 ( 0.000 -1.488 0.000) 1.488 1.647 ( 0.000 -0.020 0.000) 0.020 1.655 ( 0.000 -0.869 0.000) 0.869 1.719 ( 0.000 1.587 0.000) 1.587 1.750 ( 0.000 -2.664 0.000) 2.664 1.799 ( 0.000 -1.438 0.000) 1.438 1.838 ( 0.000 -0.775 0.000) 0.775 1.889 ( 0.000 -0.588 0.000) 0.588 1.898 ( 0.000 1.077 0.000) 1.077 1.952 ( 0.000 3.272 0.000) 3.272 1.975 ( 0.000 -1.105 0.000) 1.105 1.988 ( 0.000 -0.014 0.000) 0.014 2.014 ( 0.000 1.270 0.000) 1.270 2.028 ( 0.000 1.070 0.000) 1.070 2.103 ( 0.000 -3.583 0.000) 3.583 2.164 ( 0.000 1.079 0.000) 1.079 2.167 ( 0.000 1.863 0.000) 1.863 2.194 ( 0.000 1.928 0.000) 1.928 2.235 ( 0.000 0.469 0.000) 0.469 2.284 ( 0.000 0.881 0.000) 0.881 2.398 ( 0.000 -0.250 0.000) 0.250 2.499 ( 0.000 -1.417 0.000) 1.417 3.269 ( 0.000 1.707 0.000) 1.707 3.339 ( 0.000 1.322 0.000) 1.322 3.375 ( 0.000 -0.774 0.000) 0.774 3.399 ( 0.000 -0.098 0.000) 0.098 3.608 ( 0.000 0.785 0.000) 0.785 3.609 ( 0.000 0.798 0.000) 0.798 3.740 ( 0.000 -2.406 0.000) 2.406 3.763 ( 0.000 -1.896 0.000) 1.896 3.826 ( 0.000 0.254 0.000) 0.254 3.951 ( 0.000 2.968 0.000) 2.968 3.984 ( 0.000 -0.831 0.000) 0.831 4.078 ( 0.000 -7.979 0.000) 7.979 4.175 ( 0.000 -0.078 0.000) 0.078 4.278 ( 0.000 1.980 0.000) 1.980 4.359 ( 0.000 -0.524 0.000) 0.524 4.427 ( 0.000 1.202 0.000) 1.202 4.440 ( 0.000 0.803 0.000) 0.803 4.483 ( 0.000 -2.886 0.000) 2.886 4.506 ( 0.000 4.336 0.000) 4.336 4.659 ( 0.000 -1.509 0.000) 1.509 4.724 ( 0.000 -1.263 0.000) 1.263 4.731 ( 0.000 4.199 0.000) 4.199 4.803 ( 0.000 3.423 0.000) 3.423 4.805 ( 0.000 -2.362 0.000) 2.362 5.018 ( 0.000 -1.279 0.000) 1.279 5.109 ( 0.000 -4.526 0.000) 4.526 5.286 ( 0.000 -2.898 0.000) 2.898 5.353 ( 0.000 -1.465 0.000) 1.465 5.426 ( 0.000 1.822 0.000) 1.822 5.570 ( 0.000 -4.966 0.000) 4.966 5.678 ( 0.000 0.674 0.000) 0.674 5.712 ( 0.000 -0.861 0.000) 0.861 5.829 ( 0.000 2.432 0.000) 2.432 5.843 ( 0.000 0.342 0.000) 0.342 5.871 ( 0.000 4.697 0.000) 4.697 5.975 ( 0.000 1.430 0.000) 1.430 6.053 ( 0.000 1.517 0.000) 1.517 6.086 ( 0.000 1.598 0.000) 1.598 6.127 ( 0.000 -1.325 0.000) 1.325 6.185 ( 0.000 0.009 0.000) 0.009 6.261 ( 0.000 -0.788 0.000) 0.788 6.312 ( 0.000 -2.295 0.000) 2.295 6.417 ( 0.000 0.962 0.000) 0.962 6.504 ( 0.000 -1.478 0.000) 1.478 8.160 ( 0.000 0.542 0.000) 0.542 8.202 ( 0.000 0.295 0.000) 0.295 8.206 ( 0.000 -0.557 0.000) 0.557 8.221 ( 0.000 0.004 0.000) 0.004 ======================= Grid point 8 (6/42) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 6.109 10.934 4.530) 13.319 0.443 ( 6.540 10.217 4.270) 12.861 0.600 ( 0.634 2.045 -0.783) 2.280 0.676 ( 1.262 2.256 -0.382) 2.613 0.751 ( 5.081 2.242 1.533) 5.761 0.842 ( 7.974 10.393 2.064) 13.262 0.964 ( -1.654 -1.414 0.025) 2.176 0.975 ( 0.285 -1.057 -1.190) 1.617 0.986 ( -1.375 4.576 -3.516) 5.932 1.031 ( -0.750 1.813 -1.755) 2.632 1.089 ( -0.890 -1.443 -1.404) 2.202 1.115 ( -0.453 0.417 0.308) 0.689 1.130 ( 0.126 -3.069 -0.602) 3.130 1.191 ( 1.717 1.052 0.249) 2.029 1.222 ( 0.661 0.580 0.261) 0.917 1.234 ( -2.306 -1.717 1.796) 3.390 1.268 ( 0.710 0.073 -0.165) 0.732 1.306 ( -0.212 -1.129 0.920) 1.472 1.350 ( -0.579 0.236 -1.020) 1.196 1.383 ( -0.352 -1.296 -0.283) 1.373 1.418 ( -0.179 -0.015 0.173) 0.249 1.441 ( -1.095 -0.136 -0.868) 1.404 1.482 ( -0.320 -1.912 -0.729) 2.071 1.497 ( 0.766 -0.186 1.694) 1.868 1.512 ( -1.583 -0.769 0.851) 1.955 1.562 ( 1.329 0.321 0.487) 1.451 1.597 ( 1.472 0.112 2.134) 2.594 1.625 ( -3.241 1.337 -0.675) 3.570 1.657 ( -2.871 -0.190 -2.769) 3.993 1.679 ( -2.693 0.125 -0.747) 2.797 1.719 ( 1.506 -1.234 -0.033) 1.947 1.792 ( 0.283 -2.229 0.926) 2.430 1.829 ( -0.647 -2.149 1.852) 2.910 1.880 ( -0.820 0.265 -0.114) 0.869 1.910 ( 0.305 0.684 0.999) 1.249 1.919 ( -0.316 0.900 -5.855) 5.932 1.976 ( -0.440 0.022 1.641) 1.699 1.988 ( 0.871 0.745 -0.013) 1.146 2.065 ( 2.369 1.506 1.137) 3.029 2.100 ( 0.995 1.027 0.812) 1.644 2.125 ( -0.364 1.027 -1.931) 2.217 2.138 ( 1.784 -3.208 0.045) 3.671 2.174 ( -0.204 1.490 0.115) 1.508 2.186 ( -0.051 -1.366 0.704) 1.537 2.220 ( -1.114 -0.177 0.446) 1.213 2.378 ( -0.965 0.728 -0.705) 1.400 2.432 ( 4.553 -5.400 2.580) 7.520 2.536 ( 3.185 -2.388 1.675) 4.319 3.271 ( 0.212 1.794 0.052) 1.808 3.339 ( -0.081 1.270 0.175) 1.285 3.380 ( 0.517 -0.774 -0.146) 0.942 3.399 ( -0.265 -0.271 0.513) 0.637 3.602 ( -0.259 0.871 -0.811) 1.218 3.620 ( 0.913 1.061 0.611) 1.527 3.730 ( -0.502 -1.193 -0.714) 1.478 3.766 ( 0.227 -2.178 0.170) 2.197 3.828 ( 0.086 0.322 0.063) 0.339 3.951 ( 0.065 3.289 0.131) 3.293 3.973 ( -0.773 -0.657 -0.682) 1.222 4.071 ( -0.928 -7.686 0.852) 7.789 4.170 ( -0.068 -0.420 -0.847) 0.948 4.275 ( -0.478 1.903 0.421) 2.007 4.354 ( -0.526 -0.535 0.304) 0.809 4.426 ( 0.739 1.356 -1.956) 2.492 4.438 ( -1.225 2.004 2.479) 3.415 4.456 ( -2.007 -2.112 -0.195) 2.920 4.504 ( -0.094 4.109 -0.148) 4.113 4.653 ( -0.854 -1.548 -0.662) 1.888 4.672 ( -1.899 6.627 -2.069) 7.197 4.715 ( -0.889 -1.137 -0.110) 1.448 4.800 ( -0.497 3.539 0.498) 3.608 4.806 ( -0.168 -2.410 0.571) 2.483 4.948 ( -1.547 3.792 -1.435) 4.340 5.142 ( -0.688 -7.122 3.408) 7.926 5.285 ( 0.197 -2.708 -0.560) 2.773 5.355 ( 0.003 -1.255 0.484) 1.345 5.435 ( 1.922 0.189 -3.296) 3.820 5.535 ( -1.341 -3.812 -0.256) 4.049 5.685 ( -0.023 0.890 0.132) 0.900 5.710 ( -0.240 -0.907 0.316) 0.990 5.824 ( -0.059 3.722 0.105) 3.724 5.844 ( -0.683 1.014 2.218) 2.532 5.872 ( 0.919 3.723 -1.987) 4.320 5.975 ( -0.205 1.350 0.540) 1.468 6.052 ( -0.173 1.430 0.129) 1.446 6.091 ( 0.306 1.694 -0.641) 1.837 6.126 ( -0.279 -1.258 0.405) 1.351 6.184 ( -0.066 -0.000 0.061) 0.089 6.261 ( 0.088 -0.806 -0.309) 0.868 6.311 ( -0.193 -2.338 0.096) 2.348 6.411 ( -0.264 1.178 -0.203) 1.224 6.504 ( -0.151 -1.463 0.226) 1.488 8.162 ( 0.156 0.504 0.075) 0.533 8.202 ( 0.021 0.122 -0.139) 0.186 8.205 ( -0.149 -0.304 0.134) 0.364 8.219 ( -0.162 0.015 0.090) 0.186 ======================= Grid point 9 (7/42) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 5.484 3.736 4.672) 8.115 0.603 ( 0.418 2.192 0.488) 2.285 0.630 ( 8.195 5.271 0.264) 9.748 0.694 ( 2.044 -0.814 0.351) 2.228 0.812 ( 1.145 2.774 -0.028) 3.001 0.875 ( -3.411 -2.184 1.716) 4.399 0.907 ( -0.247 2.393 -3.594) 4.325 0.987 ( 0.402 1.046 0.061) 1.122 1.012 ( 0.227 0.321 1.341) 1.397 1.073 ( 2.031 0.918 -2.605) 3.428 1.087 ( 0.678 0.302 -0.552) 0.925 1.125 ( 1.683 1.530 1.095) 2.524 1.176 ( 1.219 -1.204 -0.550) 1.800 1.190 ( 0.854 -1.996 -0.240) 2.184 1.219 ( 0.777 2.051 0.668) 2.292 1.245 ( 0.244 4.121 3.382) 5.337 1.294 ( 1.841 -0.802 -2.435) 3.156 1.307 ( 0.970 -3.864 -0.252) 3.992 1.324 ( -1.387 -0.513 0.332) 1.516 1.368 ( -0.945 -0.746 -0.221) 1.224 1.382 ( -0.770 1.833 -0.333) 2.016 1.416 ( -3.569 -1.130 -0.517) 3.779 1.441 ( -3.000 0.131 -0.472) 3.040 1.481 ( 1.365 0.067 0.524) 1.464 1.496 ( -4.486 -0.320 -2.844) 5.322 1.540 ( -1.694 1.459 0.325) 2.259 1.570 ( 2.056 -0.258 0.754) 2.205 1.603 ( 1.553 -0.616 -0.401) 1.718 1.645 ( -0.640 -0.341 0.723) 1.024 1.698 ( 2.559 0.462 2.789) 3.813 1.764 ( 1.646 -0.291 0.602) 1.776 1.816 ( 0.118 0.383 2.000) 2.039 1.839 ( 0.897 -2.390 -1.212) 2.826 1.862 ( 0.041 -0.408 -1.909) 1.953 1.877 ( -0.274 -0.313 -0.157) 0.445 1.925 ( 0.063 0.726 0.200) 0.755 1.967 ( -1.682 -0.849 -0.820) 2.055 2.015 ( 1.170 2.828 0.363) 3.082 2.041 ( -2.137 1.211 0.118) 2.459 2.088 ( -1.026 0.536 0.259) 1.186 2.131 ( -2.289 2.396 -2.126) 3.937 2.144 ( -0.278 0.823 -0.133) 0.879 2.164 ( 1.419 0.771 -0.791) 1.798 2.198 ( -1.413 -0.026 0.669) 1.564 2.234 ( 2.940 -2.104 1.165) 3.798 2.350 ( -1.332 0.329 -0.346) 1.416 2.493 ( 2.076 -3.303 1.304) 4.113 2.584 ( 0.161 -3.227 0.014) 3.231 3.277 ( 0.259 1.912 0.045) 1.930 3.340 ( -0.003 1.176 0.193) 1.192 3.391 ( 0.372 -0.779 0.107) 0.870 3.396 ( -0.266 -0.447 0.428) 0.674 3.591 ( -0.179 1.006 -0.795) 1.295 3.648 ( 1.099 1.279 0.679) 1.818 3.716 ( -0.394 -0.395 -0.515) 0.759 3.773 ( 0.317 -2.426 0.249) 2.459 3.827 ( -0.162 0.213 -0.043) 0.271 3.948 ( -1.071 -0.352 -0.529) 1.245 3.959 ( 0.489 3.512 0.079) 3.547 4.057 ( -0.991 -7.217 0.641) 7.313 4.163 ( -0.041 -1.183 -0.638) 1.345 4.269 ( -0.391 1.681 0.359) 1.762 4.346 ( -0.476 -0.582 0.300) 0.810 4.421 ( -1.654 1.417 1.826) 2.842 4.427 ( 1.053 1.686 -2.510) 3.202 4.435 ( -0.700 -0.705 1.063) 1.455 4.501 ( -0.129 3.709 -0.110) 3.713 4.620 ( -0.844 1.703 -0.776) 2.053 4.657 ( -0.022 1.575 -0.495) 1.651 4.692 ( -1.026 -0.841 -0.315) 1.364 4.794 ( -0.322 4.079 0.240) 4.099 4.807 ( -0.071 -2.698 0.403) 2.729 4.933 ( 0.001 3.820 -0.118) 3.822 5.140 ( -0.893 -6.857 1.068) 6.997 5.288 ( 0.398 -2.267 -0.364) 2.331 5.359 ( -0.036 -1.032 0.433) 1.120 5.443 ( 1.133 -0.073 -2.421) 2.674 5.525 ( -0.293 -5.467 0.931) 5.554 5.681 ( -0.258 1.340 -0.112) 1.369 5.709 ( -0.018 -1.165 0.004) 1.165 5.829 ( 0.473 3.308 -0.261) 3.352 5.852 ( -0.549 1.599 2.683) 3.171 5.873 ( 0.815 3.719 -2.295) 4.446 5.975 ( -0.110 1.167 0.252) 1.199 6.049 ( -0.215 1.549 0.177) 1.574 6.088 ( -0.059 1.821 -0.299) 1.846 6.122 ( -0.352 -1.132 0.381) 1.245 6.184 ( -0.001 0.075 0.199) 0.213 6.260 ( 0.105 -0.809 -0.332) 0.881 6.307 ( -0.221 -2.471 0.099) 2.483 6.406 ( -0.144 1.040 -0.089) 1.053 6.502 ( -0.169 -1.428 0.241) 1.458 8.167 ( 0.165 0.428 0.078) 0.466 8.200 ( -0.122 -0.274 -0.080) 0.310 8.203 ( -0.021 0.261 0.046) 0.266 8.217 ( -0.167 0.029 0.115) 0.204 ======================= Grid point 10 (8/42) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 0.879 -0.000) 0.879 0.623 ( 0.000 2.970 0.000) 2.970 0.696 ( 0.000 1.012 -0.000) 1.012 0.751 ( -0.000 1.627 0.000) 1.627 0.827 ( -0.000 -1.385 0.000) 1.385 0.842 ( 0.000 4.231 -0.000) 4.231 0.900 ( 0.000 1.766 0.000) 1.766 0.986 ( -0.000 2.127 0.000) 2.127 1.020 ( 0.000 -1.113 0.000) 1.113 1.075 ( 0.000 -1.590 -0.000) 1.590 1.082 ( 0.000 1.337 0.000) 1.337 1.155 ( 0.000 -1.461 -0.000) 1.461 1.157 ( -0.000 1.314 0.000) 1.314 1.217 ( 0.000 -2.529 0.000) 2.529 1.244 ( 0.000 3.129 -0.000) 3.129 1.252 ( -0.000 -2.397 -0.000) 2.397 1.260 ( 0.000 0.487 0.000) 0.487 1.308 ( -0.000 1.920 0.000) 1.920 1.335 ( -0.000 -2.011 -0.000) 2.011 1.351 ( 0.000 -5.370 0.000) 5.370 1.363 ( 0.000 -0.046 0.000) 0.046 1.384 ( 0.000 2.526 -0.000) 2.526 1.403 ( 0.000 -0.070 0.000) 0.070 1.444 ( 0.000 -0.279 0.000) 0.279 1.516 ( 0.000 0.709 0.000) 0.709 1.546 ( 0.000 3.621 -0.000) 3.621 1.590 ( 0.000 0.106 0.000) 0.106 1.628 ( -0.000 -2.530 0.000) 2.530 1.657 ( 0.000 -0.373 0.000) 0.373 1.739 ( 0.000 -0.920 0.000) 0.920 1.786 ( 0.000 0.558 0.000) 0.558 1.817 ( 0.000 -0.633 -0.000) 0.633 1.832 ( 0.000 0.631 -0.000) 0.631 1.873 ( 0.000 -1.831 -0.000) 1.831 1.879 ( -0.000 -2.411 0.000) 2.411 1.914 ( 0.000 0.396 -0.000) 0.396 1.954 ( -0.000 3.180 -0.000) 3.180 1.975 ( 0.000 4.989 0.000) 4.989 2.038 ( -0.000 3.862 0.000) 3.862 2.073 ( 0.000 -0.146 -0.000) 0.146 2.101 ( 0.000 1.165 -0.000) 1.165 2.138 ( 0.000 0.373 0.000) 0.373 2.178 ( -0.000 0.757 0.000) 0.757 2.181 ( 0.000 0.231 -0.000) 0.231 2.274 ( 0.000 -0.905 0.000) 0.905 2.331 ( 0.000 -0.567 0.000) 0.567 2.535 ( 0.000 -0.553 0.000) 0.553 2.568 ( 0.000 -5.457 0.000) 5.457 3.280 ( 0.000 1.946 0.000) 1.946 3.340 ( 0.000 1.139 0.000) 1.139 3.391 ( 0.000 -0.483 0.000) 0.483 3.399 ( 0.000 -0.803 -0.000) 0.803 3.585 ( 0.000 1.108 0.000) 1.108 3.663 ( 0.000 1.217 -0.000) 1.217 3.709 ( 0.000 -0.243 -0.000) 0.243 3.779 ( 0.000 -2.417 0.000) 2.417 3.824 ( 0.000 0.099 0.000) 0.099 3.933 ( 0.000 -0.174 0.000) 0.174 3.966 ( -0.000 3.707 -0.000) 3.707 4.048 ( 0.000 -7.107 0.000) 7.107 4.160 ( 0.000 -1.553 0.000) 1.553 4.266 ( 0.000 1.567 0.000) 1.567 4.342 ( 0.000 -0.646 0.000) 0.646 4.412 ( 0.000 0.673 -0.000) 0.673 4.427 ( -0.000 1.419 0.000) 1.419 4.432 ( 0.000 0.433 0.000) 0.433 4.499 ( 0.000 3.531 0.000) 3.531 4.609 ( 0.000 1.141 -0.000) 1.141 4.655 ( 0.000 1.605 -0.000) 1.605 4.679 ( 0.000 -0.758 0.000) 0.758 4.792 ( 0.000 4.247 0.000) 4.247 4.808 ( 0.000 -2.752 0.000) 2.752 4.934 ( 0.000 3.863 0.000) 3.863 5.134 ( 0.000 -6.713 0.000) 6.713 5.291 ( 0.000 -1.981 0.000) 1.981 5.360 ( 0.000 -0.966 -0.000) 0.966 5.445 ( 0.000 0.062 0.000) 0.062 5.527 ( 0.000 -6.322 -0.000) 6.322 5.677 ( 0.000 1.409 0.000) 1.409 5.709 ( 0.000 -1.258 0.000) 1.258 5.833 ( 0.000 3.070 0.000) 3.070 5.859 ( -0.000 0.607 0.000) 0.607 5.870 ( 0.000 5.013 -0.000) 5.013 5.975 ( 0.000 1.067 0.000) 1.067 6.047 ( 0.000 1.628 0.000) 1.628 6.086 ( 0.000 1.785 0.000) 1.785 6.120 ( 0.000 -1.074 -0.000) 1.074 6.185 ( 0.000 0.155 -0.000) 0.155 6.260 ( -0.000 -0.794 0.000) 0.794 6.305 ( 0.000 -2.543 -0.000) 2.543 6.405 ( 0.000 0.969 0.000) 0.969 6.501 ( 0.000 -1.410 0.000) 1.410 8.169 ( -0.000 0.389 -0.000) 0.389 8.198 ( 0.000 -0.227 0.000) 0.227 8.204 ( 0.000 0.300 0.000) 0.300 8.215 ( 0.000 0.038 0.000) 0.038 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 7.824 0.000) 7.824 0.626 ( 0.000 -3.239 0.000) 3.239 0.671 ( 0.000 12.009 0.000) 12.009 0.715 ( 0.000 6.717 0.000) 6.717 0.784 ( 0.000 2.714 0.000) 2.714 0.866 ( 0.000 -4.590 0.000) 4.590 0.947 ( 0.000 -1.241 0.000) 1.241 0.973 ( 0.000 -3.875 0.000) 3.875 1.022 ( 0.000 2.371 0.000) 2.371 1.069 ( 0.000 -1.421 0.000) 1.421 1.110 ( 0.000 4.939 0.000) 4.939 1.120 ( 0.000 0.825 0.000) 0.825 1.148 ( 0.000 0.016 0.000) 0.016 1.190 ( 0.000 -3.119 0.000) 3.119 1.222 ( 0.000 4.330 0.000) 4.330 1.257 ( 0.000 -0.038 0.000) 0.038 1.271 ( 0.000 3.960 0.000) 3.960 1.320 ( 0.000 -0.888 0.000) 0.888 1.330 ( 0.000 -0.526 0.000) 0.526 1.350 ( 0.000 -3.571 0.000) 3.571 1.405 ( 0.000 1.838 0.000) 1.838 1.432 ( 0.000 1.716 0.000) 1.716 1.457 ( 0.000 -0.364 0.000) 0.364 1.475 ( 0.000 -2.716 0.000) 2.716 1.516 ( 0.000 0.632 0.000) 0.632 1.559 ( 0.000 0.776 0.000) 0.776 1.594 ( 0.000 0.967 0.000) 0.967 1.620 ( 0.000 -3.411 0.000) 3.411 1.638 ( 0.000 0.315 0.000) 0.315 1.694 ( 0.000 -2.082 0.000) 2.082 1.732 ( 0.000 -0.174 0.000) 0.174 1.757 ( 0.000 -4.307 0.000) 4.307 1.822 ( 0.000 -0.838 0.000) 0.838 1.823 ( 0.000 -2.300 0.000) 2.300 1.920 ( 0.000 0.794 0.000) 0.794 1.936 ( 0.000 -1.016 0.000) 1.016 1.962 ( 0.000 0.680 0.000) 0.680 1.991 ( 0.000 -1.488 0.000) 1.488 2.059 ( 0.000 1.287 0.000) 1.287 2.061 ( 0.000 1.691 0.000) 1.691 2.114 ( 0.000 3.545 0.000) 3.545 2.178 ( 0.000 -1.744 0.000) 1.744 2.196 ( 0.000 1.893 0.000) 1.893 2.218 ( 0.000 0.586 0.000) 0.586 2.260 ( 0.000 1.298 0.000) 1.298 2.285 ( 0.000 -0.813 0.000) 0.813 2.407 ( 0.000 1.569 0.000) 1.569 2.456 ( 0.000 -2.549 0.000) 2.549 3.315 ( 0.000 2.366 0.000) 2.366 3.355 ( 0.000 -1.363 0.000) 1.363 3.366 ( 0.000 1.123 0.000) 1.123 3.387 ( 0.000 -0.929 0.000) 0.929 3.639 ( 0.000 1.576 0.000) 1.576 3.639 ( 0.000 1.633 0.000) 1.633 3.706 ( 0.000 -0.549 0.000) 0.549 3.719 ( 0.000 -1.803 0.000) 1.803 3.839 ( 0.000 1.072 0.000) 1.072 3.913 ( 0.000 -6.138 0.000) 6.138 3.976 ( 0.000 0.178 0.000) 0.178 3.981 ( 0.000 -0.458 0.000) 0.458 4.220 ( 0.000 3.770 0.000) 3.770 4.287 ( 0.000 -1.621 0.000) 1.621 4.339 ( 0.000 -0.298 0.000) 0.298 4.370 ( 0.000 -3.118 0.000) 3.118 4.478 ( 0.000 3.161 0.000) 3.161 4.516 ( 0.000 0.720 0.000) 0.720 4.580 ( 0.000 2.712 0.000) 2.712 4.620 ( 0.000 -1.724 0.000) 1.724 4.702 ( 0.000 -0.460 0.000) 0.460 4.730 ( 0.000 -3.219 0.000) 3.219 4.812 ( 0.000 3.085 0.000) 3.085 4.858 ( 0.000 0.043 0.000) 0.043 5.017 ( 0.000 0.865 0.000) 0.865 5.033 ( 0.000 -1.467 0.000) 1.467 5.235 ( 0.000 -0.900 0.000) 0.900 5.281 ( 0.000 -4.463 0.000) 4.463 5.469 ( 0.000 2.017 0.000) 2.017 5.506 ( 0.000 -1.793 0.000) 1.793 5.689 ( 0.000 0.377 0.000) 0.377 5.697 ( 0.000 -0.513 0.000) 0.513 5.850 ( 0.000 0.282 0.000) 0.282 5.850 ( 0.000 0.290 0.000) 0.290 5.969 ( 0.000 3.351 0.000) 3.351 5.998 ( 0.000 0.343 0.000) 0.343 6.073 ( 0.000 0.796 0.000) 0.796 6.096 ( 0.000 -1.417 0.000) 1.417 6.148 ( 0.000 3.355 0.000) 3.355 6.185 ( 0.000 -0.186 0.000) 0.186 6.241 ( 0.000 -0.789 0.000) 0.789 6.258 ( 0.000 -2.505 0.000) 2.505 6.438 ( 0.000 1.111 0.000) 1.111 6.468 ( 0.000 -1.754 0.000) 1.754 8.175 ( 0.000 0.807 0.000) 0.807 8.192 ( 0.000 -0.759 0.000) 0.759 8.210 ( 0.000 0.419 0.000) 0.419 8.218 ( 0.000 -0.293 0.000) 0.293 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 5.024 5.788 2.354) 8.018 0.639 ( -1.833 7.089 2.800) 7.839 0.660 ( -0.978 2.741 2.799) 4.038 0.703 ( 1.503 7.053 -1.189) 7.309 0.799 ( 1.504 -0.108 0.541) 1.602 0.866 ( 0.187 -4.697 -3.127) 5.646 0.948 ( -0.136 -1.663 -1.001) 1.946 0.973 ( 0.479 -3.554 0.512) 3.622 1.024 ( 0.412 1.955 -3.300) 3.858 1.054 ( -1.544 0.638 4.519) 4.818 1.074 ( -0.210 -0.879 -2.726) 2.872 1.133 ( -0.909 -4.028 2.441) 4.797 1.147 ( 1.240 2.476 -1.403) 3.105 1.170 ( 0.773 3.105 -3.526) 4.761 1.211 ( 0.857 0.207 -2.455) 2.608 1.233 ( -0.023 -0.223 -1.929) 1.942 1.283 ( -0.447 1.743 -0.243) 1.816 1.334 ( -0.568 -2.683 -0.238) 2.753 1.349 ( 0.306 2.805 0.806) 2.935 1.402 ( 2.452 -2.244 0.284) 3.336 1.411 ( 1.714 6.298 -0.837) 6.580 1.438 ( -1.096 1.144 -1.623) 2.268 1.455 ( 1.278 0.360 0.159) 1.337 1.483 ( -2.493 -1.330 2.469) 3.752 1.509 ( 1.049 1.042 3.936) 4.204 1.576 ( -0.909 -0.416 -0.883) 1.334 1.603 ( 0.337 -0.052 0.468) 0.579 1.631 ( 0.102 0.494 2.767) 2.813 1.636 ( -0.939 -1.297 0.125) 1.606 1.670 ( -0.176 -0.534 0.284) 0.630 1.714 ( -0.300 -0.123 -1.076) 1.124 1.748 ( -0.963 -2.745 2.852) 4.074 1.792 ( -0.816 -1.558 -0.077) 1.761 1.819 ( 1.127 -4.098 -1.790) 4.612 1.918 ( 0.010 0.381 -2.057) 2.092 1.929 ( -0.753 -0.579 -0.988) 1.370 1.972 ( 0.008 1.866 0.605) 1.962 2.016 ( 0.479 -1.764 0.466) 1.886 2.066 ( 1.888 0.760 -0.094) 2.037 2.084 ( 1.249 -0.022 0.597) 1.384 2.140 ( 1.256 2.324 1.246) 2.921 2.164 ( -0.089 1.533 -1.512) 2.155 2.185 ( -0.120 -0.204 0.237) 0.335 2.202 ( -1.378 -0.234 -0.171) 1.408 2.252 ( -0.725 3.377 0.493) 3.489 2.331 ( 1.136 -4.068 1.067) 4.357 2.415 ( 1.211 2.366 0.075) 2.659 2.479 ( 1.741 -3.203 0.757) 3.723 3.318 ( 0.235 2.371 0.174) 2.389 3.359 ( 0.142 -1.371 0.536) 1.479 3.366 ( 0.060 1.075 -0.214) 1.098 3.386 ( -0.204 -0.869 0.227) 0.921 3.635 ( -0.030 1.960 -0.541) 2.034 3.650 ( 0.891 1.109 0.250) 1.445 3.707 ( 0.144 -0.324 -0.271) 0.447 3.720 ( 0.238 -1.723 -0.258) 1.758 3.843 ( 0.204 1.064 0.275) 1.118 3.910 ( -0.157 -5.667 -0.231) 5.673 3.973 ( -0.115 -0.076 -0.970) 0.980 3.977 ( -0.589 -0.472 1.395) 1.586 4.211 ( -0.653 3.692 -0.506) 3.783 4.278 ( -0.663 -1.911 -0.218) 2.035 4.336 ( -0.467 -0.188 0.394) 0.640 4.366 ( -0.629 -2.955 0.481) 3.060 4.478 ( 0.279 2.991 -0.637) 3.071 4.510 ( -0.616 1.112 0.229) 1.292 4.577 ( -0.201 2.691 -0.375) 2.724 4.614 ( -0.513 -1.565 -0.219) 1.661 4.693 ( -0.666 -0.446 -0.423) 0.906 4.723 ( -0.620 -3.069 -0.296) 3.145 4.803 ( -0.527 4.146 -0.286) 4.189 4.861 ( 0.221 0.185 0.112) 0.309 5.004 ( -0.352 1.755 -1.003) 2.052 5.031 ( -0.718 -2.412 0.788) 2.637 5.239 ( 0.392 -0.741 0.016) 0.838 5.284 ( 0.344 -4.402 -0.105) 4.417 5.458 ( -0.267 1.648 -1.219) 2.067 5.489 ( -1.113 -1.297 -0.227) 1.724 5.693 ( 0.288 0.087 -0.318) 0.438 5.697 ( -0.318 -0.334 0.755) 0.885 5.851 ( 0.181 0.550 0.142) 0.596 5.856 ( 0.041 0.133 1.030) 1.040 5.970 ( 0.225 3.437 -0.426) 3.471 5.998 ( -0.057 0.366 0.152) 0.401 6.074 ( -0.088 0.845 0.274) 0.893 6.096 ( -0.171 -1.362 0.432) 1.439 6.149 ( 0.113 3.212 -0.244) 3.224 6.184 ( 0.090 -0.106 -0.234) 0.273 6.240 ( -0.019 -0.884 -0.273) 0.926 6.256 ( -0.391 -2.535 0.346) 2.589 6.435 ( -0.171 1.232 -0.171) 1.256 6.467 ( -0.100 -1.805 0.049) 1.809 8.176 ( 0.075 0.753 0.048) 0.758 8.192 ( -0.032 -0.688 0.013) 0.688 8.210 ( 0.002 0.388 0.041) 0.390 8.217 ( -0.077 -0.245 0.041) 0.260 ======================= Grid point 16 (11/42) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.236 2.885 1.487) 3.254 0.651 ( -0.769 -0.029 1.789) 1.947 0.720 ( 0.326 4.240 3.013) 5.212 0.765 ( 5.130 7.051 0.336) 8.726 0.811 ( -2.073 -2.713 0.291) 3.427 0.869 ( 3.670 1.462 0.490) 3.981 0.931 ( 1.133 -0.481 -2.604) 2.881 1.006 ( 1.656 -1.383 0.982) 2.371 1.019 ( 0.066 1.512 -0.019) 1.513 1.072 ( 0.089 -0.953 1.347) 1.652 1.100 ( 1.126 1.779 -2.832) 3.529 1.112 ( 2.726 -2.709 -1.357) 4.076 1.144 ( -0.327 -1.558 1.583) 2.245 1.174 ( -0.792 -3.918 -2.139) 4.534 1.198 ( 0.427 2.396 -2.059) 3.188 1.234 ( 0.789 -0.559 -0.850) 1.288 1.264 ( -1.271 -0.289 -0.832) 1.546 1.305 ( -1.076 -3.532 -1.189) 3.879 1.359 ( -3.660 2.779 -0.862) 4.676 1.364 ( 1.948 3.649 -1.203) 4.308 1.391 ( -2.118 -0.819 -1.579) 2.766 1.427 ( -1.552 -1.532 -1.496) 2.645 1.455 ( -2.120 2.222 1.297) 3.333 1.490 ( -2.260 -0.033 0.060) 2.261 1.522 ( -1.246 -0.427 1.175) 1.766 1.562 ( -0.245 -2.454 -0.035) 2.466 1.581 ( 0.547 2.302 -0.082) 2.368 1.617 ( 0.541 -0.796 1.634) 1.896 1.637 ( 2.860 7.989 2.110) 8.744 1.730 ( 0.443 1.806 2.724) 3.298 1.760 ( 2.538 -0.950 2.383) 3.609 1.771 ( 0.025 -2.444 1.896) 3.093 1.803 ( 1.853 -1.008 1.471) 2.572 1.849 ( 1.448 -2.583 -0.379) 2.986 1.880 ( -1.075 0.273 -3.571) 3.739 1.901 ( -0.299 -2.327 -2.323) 3.301 1.987 ( 1.324 1.908 0.927) 2.500 2.023 ( 0.785 -1.525 0.814) 1.898 2.084 ( 0.615 2.476 0.056) 2.552 2.113 ( 0.677 0.706 0.564) 1.129 2.162 ( -0.893 0.603 -0.817) 1.352 2.167 ( -0.210 0.542 -0.991) 1.149 2.184 ( 0.178 0.259 0.293) 0.430 2.196 ( 1.435 -0.979 1.593) 2.357 2.224 ( -1.541 4.021 -0.616) 4.350 2.319 ( -1.987 -3.852 -0.308) 4.346 2.451 ( 1.708 0.697 0.413) 1.890 2.508 ( 0.268 -3.811 0.150) 3.824 3.325 ( 0.251 2.387 0.192) 2.408 3.365 ( -0.280 0.714 0.921) 1.199 3.367 ( 0.482 -1.181 -0.513) 1.375 3.384 ( -0.168 -0.714 0.204) 0.761 3.631 ( 0.088 2.625 -0.563) 2.686 3.671 ( 0.774 -0.140 0.205) 0.813 3.707 ( 0.061 0.180 -0.302) 0.356 3.725 ( 0.327 -1.595 -0.097) 1.631 3.846 ( -0.119 1.246 0.114) 1.257 3.904 ( -0.291 -4.839 -0.207) 4.853 3.960 ( -0.492 0.230 -0.379) 0.663 3.980 ( -0.049 -1.265 0.786) 1.490 4.193 ( -0.589 3.700 -0.390) 3.766 4.264 ( -0.495 -2.232 -0.109) 2.289 4.329 ( -0.482 -0.176 0.380) 0.638 4.356 ( -0.600 -2.699 0.402) 2.794 4.479 ( 0.285 2.717 -0.622) 2.802 4.500 ( -0.469 1.618 0.316) 1.714 4.569 ( -0.177 2.627 -0.454) 2.672 4.599 ( -0.632 -1.170 -0.155) 1.339 4.674 ( -0.699 -0.323 -0.535) 0.937 4.706 ( -0.512 -2.554 -0.521) 2.656 4.796 ( -0.110 4.691 0.081) 4.693 4.866 ( 0.175 0.460 0.069) 0.497 4.997 ( -0.017 1.705 -0.061) 1.706 5.021 ( -0.506 -2.831 0.043) 2.876 5.249 ( 0.511 -0.597 0.087) 0.791 5.291 ( 0.362 -4.257 0.030) 4.273 5.449 ( 0.420 0.800 -1.481) 1.735 5.468 ( -1.056 -1.013 0.553) 1.564 5.693 ( 0.065 -0.136 -0.388) 0.416 5.695 ( -0.372 -0.043 0.483) 0.611 5.858 ( 0.299 0.695 0.148) 0.771 5.864 ( -0.032 0.079 0.915) 0.919 5.972 ( 0.298 3.381 -0.441) 3.422 5.998 ( -0.044 0.489 0.057) 0.495 6.073 ( -0.152 0.915 0.294) 0.973 6.095 ( -0.241 -1.254 0.384) 1.334 6.147 ( -0.083 3.276 -0.170) 3.281 6.186 ( 0.196 -0.117 -0.139) 0.267 6.238 ( 0.087 -1.062 -0.356) 1.123 6.250 ( -0.443 -2.572 0.362) 2.635 6.431 ( -0.145 1.373 -0.131) 1.387 6.465 ( -0.111 -1.892 0.068) 1.896 8.178 ( 0.079 0.635 0.049) 0.642 8.191 ( -0.035 -0.544 0.012) 0.546 8.210 ( -0.003 0.335 0.033) 0.336 8.216 ( -0.082 -0.151 0.047) 0.178 ======================= Grid point 17 (12/42) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 1.886 -0.000) 1.886 0.656 ( -0.000 -0.518 0.000) 0.518 0.730 ( 0.000 1.877 -0.000) 1.877 0.767 ( 0.000 -1.255 0.000) 1.255 0.831 ( -0.000 3.605 0.000) 3.605 0.928 ( 0.000 -3.153 0.000) 3.153 0.977 ( 0.000 4.899 -0.000) 4.899 0.979 ( -0.000 5.407 0.000) 5.407 1.039 ( -0.000 1.792 -0.000) 1.792 1.067 ( 0.000 -1.642 0.000) 1.642 1.117 ( 0.000 0.818 0.000) 0.818 1.122 ( -0.000 -1.454 -0.000) 1.454 1.166 ( 0.000 -1.668 0.000) 1.668 1.177 ( -0.000 -1.666 -0.000) 1.666 1.204 ( 0.000 -2.834 0.000) 2.834 1.226 ( 0.000 -2.387 0.000) 2.387 1.228 ( 0.000 0.792 -0.000) 0.792 1.278 ( 0.000 -3.113 0.000) 3.113 1.303 ( 0.000 2.001 -0.000) 2.001 1.347 ( 0.000 -1.702 0.000) 1.702 1.373 ( 0.000 2.547 0.000) 2.547 1.400 ( -0.000 -0.563 0.000) 0.563 1.445 ( -0.000 3.273 0.000) 3.273 1.457 ( 0.000 1.084 -0.000) 1.084 1.509 ( 0.000 -1.265 0.000) 1.265 1.556 ( 0.000 -3.756 0.000) 3.756 1.605 ( 0.000 0.751 0.000) 0.751 1.626 ( 0.000 -0.383 0.000) 0.383 1.698 ( 0.000 5.716 0.000) 5.716 1.755 ( 0.000 3.797 0.000) 3.797 1.767 ( 0.000 -2.415 -0.000) 2.415 1.799 ( 0.000 -0.185 0.000) 0.185 1.832 ( 0.000 -1.313 0.000) 1.313 1.845 ( 0.000 0.783 -0.000) 0.783 1.850 ( -0.000 -0.879 0.000) 0.879 1.899 ( 0.000 -3.122 -0.000) 3.122 2.028 ( 0.000 3.014 0.000) 3.014 2.054 ( 0.000 0.571 0.000) 0.571 2.103 ( 0.000 3.391 0.000) 3.391 2.111 ( -0.000 1.416 -0.000) 1.416 2.123 ( 0.000 1.985 -0.000) 1.985 2.137 ( 0.000 -0.810 0.000) 0.810 2.193 ( 0.000 1.718 0.000) 1.718 2.202 ( 0.000 1.537 0.000) 1.537 2.242 ( 0.000 -1.905 0.000) 1.905 2.280 ( 0.000 -4.607 -0.000) 4.607 2.478 ( 0.000 -1.543 0.000) 1.543 2.500 ( 0.000 -2.433 0.000) 2.433 3.328 ( 0.000 2.396 -0.000) 2.396 3.365 ( 0.000 1.062 0.000) 1.062 3.371 ( 0.000 -1.569 -0.000) 1.569 3.383 ( 0.000 -0.700 0.000) 0.700 3.630 ( 0.000 2.953 0.000) 2.953 3.680 ( 0.000 -0.762 0.000) 0.762 3.706 ( 0.000 0.474 -0.000) 0.474 3.728 ( 0.000 -1.710 0.000) 1.710 3.844 ( 0.000 1.398 0.000) 1.398 3.899 ( 0.000 -4.396 0.000) 4.396 3.953 ( 0.000 0.401 0.000) 0.401 3.984 ( 0.000 -1.693 -0.000) 1.693 4.185 ( 0.000 3.778 0.000) 3.778 4.259 ( 0.000 -2.345 -0.000) 2.345 4.325 ( 0.000 -0.187 0.000) 0.187 4.351 ( 0.000 -2.647 0.000) 2.647 4.480 ( 0.000 2.616 -0.000) 2.616 4.497 ( -0.000 1.755 0.000) 1.755 4.565 ( -0.000 2.579 0.000) 2.579 4.592 ( 0.000 -0.996 -0.000) 0.996 4.664 ( 0.000 -0.241 0.000) 0.241 4.699 ( 0.000 -2.405 -0.000) 2.405 4.796 ( 0.000 4.661 -0.000) 4.661 4.868 ( 0.000 0.607 0.000) 0.607 4.997 ( 0.000 1.536 -0.000) 1.536 5.015 ( 0.000 -2.795 0.000) 2.795 5.255 ( 0.000 -0.607 0.000) 0.607 5.296 ( 0.000 -4.141 -0.000) 4.141 5.449 ( -0.000 0.340 0.000) 0.340 5.458 ( 0.000 -0.854 -0.000) 0.854 5.691 ( 0.000 -0.233 -0.000) 0.233 5.692 ( -0.000 0.046 0.000) 0.046 5.862 ( 0.000 0.670 -0.000) 0.670 5.867 ( 0.000 0.121 0.000) 0.121 5.973 ( 0.000 3.309 -0.000) 3.309 5.997 ( 0.000 0.559 0.000) 0.559 6.073 ( -0.000 0.924 0.000) 0.924 6.094 ( 0.000 -1.198 -0.000) 1.198 6.145 ( 0.000 3.356 0.000) 3.356 6.188 ( 0.000 -0.181 0.000) 0.181 6.237 ( -0.000 -1.119 0.000) 1.119 6.246 ( 0.000 -2.564 -0.000) 2.564 6.429 ( 0.000 1.420 0.000) 1.420 6.464 ( 0.000 -1.929 0.000) 1.929 8.179 ( -0.000 0.572 -0.000) 0.572 8.191 ( 0.000 -0.469 0.000) 0.469 8.211 ( 0.000 0.310 0.000) 0.310 8.215 ( 0.000 -0.106 0.000) 0.106 ======================= Grid point 35 (13/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.981 0.000 12.252) 12.291 0.337 ( -3.819 0.000 15.068) 15.544 0.528 ( 0.069 0.000 23.554) 23.554 0.614 ( -1.334 0.000 0.066) 1.335 0.701 ( -0.668 0.000 1.238) 1.407 0.707 ( 1.812 0.000 -1.920) 2.640 0.878 ( -0.565 0.000 -6.571) 6.595 0.892 ( 0.823 0.000 -6.371) 6.424 0.937 ( 2.731 0.000 -4.888) 5.599 1.096 ( -2.688 0.000 -3.721) 4.591 1.099 ( 0.175 0.000 -0.014) 0.176 1.179 ( 0.393 0.000 -1.412) 1.466 1.184 ( -3.456 0.000 4.506) 5.679 1.203 ( -1.585 0.000 2.741) 3.166 1.261 ( 2.486 0.000 0.344) 2.510 1.265 ( -2.207 0.000 4.293) 4.827 1.293 ( 1.875 0.000 1.966) 2.717 1.343 ( -0.811 0.000 0.098) 0.817 1.344 ( -1.208 0.000 -5.489) 5.621 1.383 ( -1.317 0.000 0.937) 1.617 1.411 ( 0.482 0.000 -1.189) 1.283 1.439 ( 2.281 0.000 -0.840) 2.431 1.467 ( -2.407 0.000 5.401) 5.913 1.500 ( 1.356 0.000 0.966) 1.665 1.529 ( 2.822 0.000 3.258) 4.311 1.561 ( -1.683 0.000 2.053) 2.655 1.613 ( -1.708 0.000 -3.646) 4.026 1.652 ( -1.514 0.000 1.797) 2.350 1.666 ( 4.157 0.000 -0.155) 4.160 1.689 ( -1.236 0.000 -0.349) 1.284 1.770 ( -4.612 0.000 -1.664) 4.903 1.794 ( 1.945 0.000 -3.973) 4.424 1.810 ( 1.582 0.000 -3.664) 3.991 1.856 ( 0.926 0.000 -3.809) 3.920 1.870 ( 1.033 0.000 -0.327) 1.084 1.889 ( 1.066 0.000 1.640) 1.956 1.951 ( 0.737 0.000 -1.992) 2.124 1.969 ( -2.545 0.000 -1.953) 3.208 2.030 ( 1.335 0.000 3.133) 3.406 2.103 ( 1.073 0.000 4.055) 4.194 2.135 ( -1.650 0.000 -1.282) 2.090 2.161 ( -1.047 0.000 0.245) 1.075 2.184 ( -0.172 0.000 0.860) 0.876 2.226 ( 6.568 0.000 3.727) 7.552 2.238 ( 0.748 0.000 -2.235) 2.357 2.259 ( 1.761 0.000 2.493) 3.052 2.375 ( -1.161 0.000 -2.237) 2.520 2.468 ( 3.371 0.000 -4.485) 5.611 3.266 ( -0.609 0.000 1.395) 1.522 3.317 ( 0.359 0.000 -0.589) 0.690 3.405 ( 0.194 0.000 1.083) 1.100 3.480 ( -1.471 0.000 -1.655) 2.214 3.610 ( 0.413 0.000 0.692) 0.805 3.615 ( -0.397 0.000 0.829) 0.919 3.755 ( -1.463 0.000 2.679) 3.053 3.860 ( 0.362 0.000 -0.640) 0.735 3.872 ( -0.825 0.000 1.182) 1.442 3.892 ( -1.377 0.000 -2.814) 3.133 3.961 ( 0.520 0.000 -1.442) 1.533 4.121 ( 1.069 0.000 -4.653) 4.774 4.256 ( -1.328 0.000 2.790) 3.090 4.297 ( -0.946 0.000 0.421) 1.036 4.313 ( 1.196 0.000 -1.082) 1.613 4.359 ( 0.383 0.000 -0.710) 0.807 4.449 ( -0.899 0.000 1.590) 1.826 4.519 ( -0.122 0.000 -0.717) 0.727 4.537 ( -1.479 0.000 2.759) 3.131 4.561 ( 0.001 0.000 -0.990) 0.990 4.689 ( -1.036 0.000 0.822) 1.322 4.731 ( 0.604 0.000 -1.377) 1.503 4.811 ( -1.243 0.000 2.502) 2.794 4.875 ( 0.496 0.000 -0.829) 0.966 4.898 ( -2.549 0.000 7.355) 7.784 5.211 ( 5.621 0.000 -2.178) 6.029 5.304 ( -0.041 0.000 -1.611) 1.612 5.343 ( 0.757 0.000 -3.757) 3.833 5.419 ( -0.873 0.000 -3.910) 4.006 5.513 ( 2.188 0.000 -5.151) 5.597 5.712 ( -1.108 0.000 2.858) 3.065 5.755 ( -0.856 0.000 1.783) 1.978 5.759 ( -1.574 0.000 1.941) 2.499 5.829 ( 0.283 0.000 -1.054) 1.091 5.857 ( -0.893 0.000 1.855) 2.059 5.948 ( 0.636 0.000 -1.135) 1.301 6.080 ( -2.885 0.000 0.903) 3.023 6.093 ( -0.262 0.000 1.269) 1.296 6.148 ( 0.109 0.000 1.044) 1.049 6.190 ( -1.150 0.000 1.219) 1.676 6.305 ( -0.647 0.000 1.091) 1.269 6.340 ( -0.540 0.000 1.536) 1.628 6.376 ( 0.798 0.000 -1.722) 1.898 6.487 ( 1.476 0.000 -3.109) 3.441 8.159 ( -0.113 0.000 0.473) 0.486 8.190 ( 0.264 0.000 -0.756) 0.801 8.217 ( -0.199 0.000 0.277) 0.341 8.222 ( 0.117 0.000 0.135) 0.179 ======================= Grid point 36 (14/42) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 4.322 0.000 9.355) 10.305 0.461 ( 8.412 0.000 10.216) 13.234 0.585 ( -1.428 0.000 -1.761) 2.267 0.701 ( 2.597 0.000 0.258) 2.610 0.725 ( 2.001 0.000 2.304) 3.052 0.816 ( -0.978 0.000 -4.199) 4.311 0.853 ( 8.166 0.000 9.069) 12.204 0.880 ( 2.785 0.000 -6.909) 7.449 0.970 ( 4.915 0.000 -0.719) 4.967 1.043 ( 1.365 0.000 -2.871) 3.179 1.081 ( -5.440 0.000 4.541) 7.086 1.140 ( 0.764 0.000 2.320) 2.443 1.144 ( -1.367 0.000 -4.978) 5.163 1.178 ( -2.653 0.000 1.701) 3.152 1.277 ( -0.896 0.000 -0.732) 1.157 1.281 ( -0.758 0.000 5.461) 5.513 1.300 ( 0.812 0.000 0.483) 0.945 1.330 ( -0.031 0.000 -0.524) 0.525 1.357 ( 0.472 0.000 2.674) 2.715 1.387 ( -0.136 0.000 2.413) 2.417 1.393 ( -0.461 0.000 -2.727) 2.765 1.459 ( -1.237 0.000 0.200) 1.253 1.471 ( 1.531 0.000 -1.944) 2.474 1.514 ( -5.440 0.000 -2.768) 6.104 1.528 ( -0.592 0.000 0.846) 1.032 1.557 ( 1.823 0.000 0.610) 1.922 1.583 ( -6.479 0.000 -2.187) 6.838 1.603 ( -2.948 0.000 2.899) 4.135 1.647 ( 2.695 0.000 2.972) 4.012 1.687 ( -1.760 0.000 0.446) 1.815 1.722 ( 1.883 0.000 -1.970) 2.725 1.796 ( -0.080 0.000 -3.257) 3.258 1.799 ( 1.742 0.000 -2.579) 3.112 1.870 ( 3.590 0.000 -3.986) 5.364 1.877 ( -0.601 0.000 1.066) 1.224 1.918 ( -0.616 0.000 -0.484) 0.784 1.918 ( -0.068 0.000 0.682) 0.686 1.968 ( 1.325 0.000 -2.780) 3.080 2.090 ( -0.764 0.000 0.164) 0.781 2.103 ( 2.449 0.000 1.093) 2.682 2.139 ( -0.643 0.000 3.938) 3.990 2.150 ( -0.069 0.000 0.131) 0.148 2.173 ( -3.162 0.000 1.779) 3.628 2.225 ( 0.260 0.000 -2.508) 2.522 2.234 ( -1.226 0.000 1.543) 1.971 2.326 ( -0.802 0.000 -3.544) 3.634 2.469 ( 10.039 0.000 -4.957) 11.196 2.493 ( 2.398 0.000 -4.308) 4.931 3.266 ( -0.440 0.000 1.310) 1.381 3.320 ( 0.395 0.000 -0.501) 0.638 3.417 ( -0.230 0.000 1.651) 1.667 3.436 ( -1.860 0.000 0.168) 1.868 3.596 ( -1.541 0.000 0.521) 1.627 3.624 ( 0.534 0.000 0.484) 0.720 3.745 ( -1.545 0.000 2.602) 3.026 3.833 ( -1.747 0.000 0.702) 1.883 3.865 ( -0.554 0.000 0.632) 0.841 3.876 ( 0.745 0.000 -0.520) 0.909 3.949 ( -0.869 0.000 -0.625) 1.071 4.100 ( 0.886 0.000 -5.003) 5.081 4.245 ( -1.741 0.000 2.794) 3.292 4.282 ( -1.205 0.000 1.829) 2.191 4.324 ( 0.774 0.000 -1.445) 1.639 4.359 ( 0.149 0.000 -0.609) 0.626 4.439 ( -1.140 0.000 1.185) 1.644 4.489 ( -2.355 0.000 2.217) 3.234 4.530 ( -1.290 0.000 2.831) 3.111 4.557 ( 0.678 0.000 -1.719) 1.848 4.677 ( -0.601 0.000 0.079) 0.606 4.717 ( -1.205 0.000 -0.492) 1.302 4.796 ( -1.825 0.000 2.658) 3.224 4.878 ( 0.434 0.000 -0.736) 0.855 4.905 ( -2.508 0.000 7.125) 7.554 5.239 ( 0.720 0.000 -5.368) 5.416 5.293 ( 0.466 0.000 -1.769) 1.830 5.350 ( 3.126 0.000 -4.412) 5.407 5.385 ( -1.554 0.000 1.661) 2.275 5.522 ( 2.797 0.000 -5.654) 6.308 5.716 ( -0.844 0.000 3.195) 3.304 5.741 ( -1.442 0.000 2.493) 2.880 5.752 ( -0.697 0.000 1.598) 1.744 5.826 ( 0.378 0.000 -1.094) 1.157 5.858 ( -0.352 0.000 1.351) 1.397 5.952 ( 0.653 0.000 -1.155) 1.327 6.045 ( -1.454 0.000 1.597) 2.160 6.096 ( -0.577 0.000 1.423) 1.536 6.153 ( -0.616 0.000 1.348) 1.482 6.186 ( -0.263 0.000 0.652) 0.703 6.301 ( -0.590 0.000 1.101) 1.249 6.340 ( -0.653 0.000 1.443) 1.584 6.379 ( 0.677 0.000 -1.424) 1.576 6.490 ( 1.175 0.000 -3.082) 3.299 8.162 ( 0.033 0.000 0.447) 0.448 8.189 ( 0.297 0.000 -0.781) 0.835 8.212 ( -0.416 0.000 0.208) 0.465 8.223 ( -0.111 0.000 0.155) 0.191 ======================= Grid point 37 (15/42) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.688 0.000 -0.116) 1.692 0.598 ( 2.643 0.000 4.213) 4.973 0.655 ( 3.696 0.000 4.569) 5.877 0.752 ( 2.629 0.000 1.958) 3.278 0.794 ( 2.171 0.000 3.896) 4.460 0.803 ( 2.735 0.000 -3.094) 4.130 0.868 ( 1.010 0.000 -6.434) 6.513 0.944 ( 3.149 0.000 -4.034) 5.118 0.989 ( -3.591 0.000 3.052) 4.713 1.065 ( 0.250 0.000 -3.722) 3.731 1.084 ( -0.044 0.000 -1.770) 1.771 1.141 ( 2.812 0.000 2.087) 3.502 1.148 ( -1.251 0.000 3.533) 3.748 1.224 ( 2.565 0.000 1.664) 3.057 1.268 ( -1.122 0.000 2.021) 2.311 1.270 ( -3.877 0.000 2.936) 4.864 1.287 ( -1.706 0.000 -0.477) 1.771 1.348 ( 2.306 0.000 0.710) 2.413 1.362 ( 0.049 0.000 -1.822) 1.822 1.380 ( -0.417 0.000 2.963) 2.992 1.387 ( -1.023 0.000 -0.042) 1.024 1.403 ( -3.729 0.000 1.381) 3.976 1.427 ( 0.476 0.000 -0.826) 0.954 1.473 ( 0.012 0.000 -2.186) 2.186 1.493 ( -4.074 0.000 -1.037) 4.204 1.522 ( -0.039 0.000 4.039) 4.039 1.567 ( 1.321 0.000 -1.639) 2.106 1.594 ( 2.351 0.000 0.902) 2.518 1.661 ( -0.892 0.000 -1.512) 1.756 1.733 ( 3.756 0.000 -0.538) 3.794 1.742 ( 1.084 0.000 -0.577) 1.228 1.777 ( 0.035 0.000 -1.379) 1.380 1.814 ( 1.441 0.000 -0.289) 1.470 1.873 ( -0.760 0.000 1.788) 1.942 1.879 ( -0.381 0.000 -4.631) 4.646 1.908 ( 0.232 0.000 -1.796) 1.811 1.940 ( 2.124 0.000 0.688) 2.232 1.961 ( -0.056 0.000 0.143) 0.153 2.066 ( -6.994 0.000 0.186) 6.996 2.092 ( -0.133 0.000 1.171) 1.179 2.122 ( -1.297 0.000 0.388) 1.354 2.147 ( -0.702 0.000 1.146) 1.344 2.152 ( -0.619 0.000 1.189) 1.341 2.232 ( -1.119 0.000 3.802) 3.963 2.240 ( 2.678 0.000 -1.715) 3.180 2.298 ( 0.743 0.000 -3.817) 3.888 2.502 ( 1.593 0.000 -3.519) 3.863 2.564 ( 4.138 0.000 -4.432) 6.063 3.269 ( -0.294 0.000 1.188) 1.223 3.323 ( 0.203 0.000 -0.498) 0.538 3.415 ( -1.201 0.000 1.348) 1.806 3.415 ( -0.441 0.000 0.272) 0.518 3.579 ( -0.372 0.000 0.256) 0.451 3.636 ( 0.545 0.000 -0.642) 0.842 3.738 ( -1.151 0.000 2.765) 2.995 3.816 ( -0.715 0.000 0.336) 0.790 3.863 ( -0.093 0.000 0.715) 0.721 3.886 ( 0.626 0.000 -0.988) 1.170 3.924 ( -1.080 0.000 -0.223) 1.103 4.082 ( 1.258 0.000 -4.944) 5.101 4.235 ( -1.390 0.000 2.545) 2.900 4.278 ( -1.000 0.000 2.515) 2.707 4.319 ( 0.090 0.000 -1.956) 1.958 4.357 ( 0.162 0.000 -0.643) 0.663 4.427 ( -0.861 0.000 1.232) 1.503 4.466 ( -1.768 0.000 2.211) 2.831 4.532 ( -0.816 0.000 2.928) 3.040 4.557 ( 0.751 0.000 -2.035) 2.169 4.666 ( -0.318 0.000 -0.180) 0.365 4.683 ( -1.420 0.000 -0.725) 1.594 4.783 ( -1.508 0.000 2.691) 3.085 4.880 ( 0.343 0.000 -0.906) 0.968 4.908 ( -2.712 0.000 6.964) 7.473 5.205 ( 0.122 0.000 -4.290) 4.292 5.296 ( 0.799 0.000 -1.025) 1.299 5.373 ( -0.917 0.000 1.297) 1.589 5.379 ( 2.894 0.000 -3.946) 4.893 5.532 ( 2.863 0.000 -6.244) 6.869 5.726 ( -0.763 0.000 3.163) 3.254 5.739 ( -0.772 0.000 2.112) 2.249 5.753 ( -0.396 0.000 1.477) 1.529 5.828 ( 0.480 0.000 -0.765) 0.903 5.861 ( -0.359 0.000 1.168) 1.222 5.955 ( 0.570 0.000 -1.344) 1.459 6.037 ( -0.576 0.000 1.169) 1.303 6.092 ( -0.756 0.000 1.214) 1.430 6.145 ( -1.143 0.000 1.261) 1.702 6.185 ( -0.347 0.000 0.663) 0.748 6.300 ( -0.339 0.000 1.075) 1.127 6.337 ( -0.722 0.000 1.377) 1.554 6.380 ( 0.462 0.000 -1.274) 1.356 6.486 ( 0.934 0.000 -3.309) 3.438 8.166 ( -0.001 0.000 0.329) 0.329 8.189 ( 0.327 0.000 -0.794) 0.859 8.206 ( -0.342 0.000 0.228) 0.411 8.220 ( -0.243 0.000 0.065) 0.252 ======================= Grid point 38 (16/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.018 0.000 2.086) 2.086 0.623 ( -1.899 0.000 3.321) 3.825 0.706 ( 1.375 0.000 -0.739) 1.560 0.756 ( -7.004 0.000 3.602) 7.876 0.818 ( -1.113 0.000 2.106) 2.382 0.848 ( 2.415 0.000 -5.830) 6.311 0.876 ( 2.405 0.000 0.695) 2.503 0.897 ( -2.465 0.000 -0.170) 2.470 1.026 ( 1.372 0.000 -5.525) 5.693 1.045 ( 5.411 0.000 -2.709) 6.052 1.104 ( 1.957 0.000 0.911) 2.159 1.132 ( -4.059 0.000 3.749) 5.525 1.168 ( -1.147 0.000 1.999) 2.305 1.221 ( 1.603 0.000 0.308) 1.632 1.239 ( -2.666 0.000 -0.501) 2.712 1.272 ( 0.067 0.000 1.765) 1.766 1.272 ( 0.208 0.000 1.837) 1.849 1.328 ( -0.728 0.000 -2.640) 2.738 1.333 ( -2.315 0.000 1.580) 2.803 1.374 ( -0.381 0.000 -0.028) 0.382 1.381 ( -2.179 0.000 0.257) 2.194 1.418 ( 0.422 0.000 0.751) 0.861 1.430 ( 1.929 0.000 -3.260) 3.788 1.460 ( 0.739 0.000 8.110) 8.144 1.471 ( 0.994 0.000 -2.002) 2.236 1.536 ( -2.799 0.000 1.480) 3.166 1.577 ( 0.199 0.000 -1.247) 1.262 1.619 ( -1.150 0.000 -2.045) 2.346 1.682 ( 3.990 0.000 -0.354) 4.006 1.723 ( -4.053 0.000 -2.142) 4.584 1.756 ( 0.301 0.000 -0.476) 0.563 1.787 ( 2.948 0.000 -2.711) 4.005 1.840 ( -2.111 0.000 0.674) 2.216 1.868 ( 1.658 0.000 -1.230) 2.064 1.878 ( 1.644 0.000 -0.671) 1.776 1.906 ( 1.963 0.000 -1.570) 2.514 1.953 ( -0.353 0.000 -0.198) 0.405 1.954 ( -0.922 0.000 2.850) 2.996 2.030 ( 3.457 0.000 3.390) 4.842 2.068 ( -3.524 0.000 0.466) 3.554 2.112 ( 1.035 0.000 1.458) 1.788 2.142 ( -1.076 0.000 0.733) 1.302 2.155 ( 1.388 0.000 -0.517) 1.481 2.231 ( -2.328 0.000 3.586) 4.276 2.251 ( -0.960 0.000 -4.408) 4.511 2.305 ( 2.770 0.000 -0.297) 2.786 2.497 ( 0.245 0.000 -2.981) 2.991 2.586 ( 1.547 0.000 -4.473) 4.733 3.272 ( -0.388 0.000 1.209) 1.270 3.320 ( 0.022 0.000 -0.683) 0.683 3.398 ( -0.872 0.000 0.465) 0.989 3.417 ( 0.270 0.000 0.445) 0.521 3.584 ( 0.434 0.000 0.671) 0.799 3.630 ( -0.293 0.000 -1.400) 1.430 3.742 ( -0.696 0.000 2.836) 2.920 3.807 ( -0.218 0.000 -0.006) 0.218 3.872 ( -0.151 0.000 1.698) 1.705 3.882 ( 0.006 0.000 -1.495) 1.495 3.913 ( 0.570 0.000 -0.720) 0.918 4.076 ( 1.883 0.000 -4.575) 4.947 4.231 ( -0.880 0.000 2.256) 2.422 4.280 ( -0.967 0.000 2.961) 3.114 4.303 ( 0.073 0.000 -2.134) 2.135 4.355 ( 0.138 0.000 -0.649) 0.664 4.428 ( -0.186 0.000 1.555) 1.566 4.452 ( -1.247 0.000 1.762) 2.159 4.538 ( -1.031 0.000 3.192) 3.355 4.556 ( 0.845 0.000 -2.303) 2.453 4.664 ( 0.747 0.000 -1.626) 1.789 4.665 ( 0.298 0.000 -0.051) 0.302 4.778 ( -1.213 0.000 2.852) 3.099 4.878 ( 0.271 0.000 -1.119) 1.151 4.906 ( -2.982 0.000 7.009) 7.617 5.182 ( 0.613 0.000 -3.783) 3.832 5.305 ( 0.612 0.000 -0.397) 0.730 5.366 ( -0.588 0.000 0.615) 0.851 5.403 ( 2.488 0.000 -3.552) 4.337 5.536 ( 2.451 0.000 -6.390) 6.844 5.730 ( -1.201 0.000 2.838) 3.081 5.740 ( -0.710 0.000 1.890) 2.019 5.758 ( -0.398 0.000 1.562) 1.611 5.830 ( 0.118 0.000 -0.251) 0.277 5.864 ( -0.171 0.000 0.991) 1.006 5.953 ( 0.410 0.000 -1.470) 1.526 6.040 ( -0.061 0.000 1.299) 1.300 6.086 ( -0.601 0.000 0.763) 0.971 6.133 ( -0.840 0.000 1.109) 1.392 6.184 ( -0.373 0.000 1.007) 1.074 6.303 ( -0.195 0.000 1.119) 1.136 6.333 ( -0.611 0.000 1.309) 1.445 6.378 ( 0.419 0.000 -1.422) 1.482 6.479 ( 1.110 0.000 -3.502) 3.673 8.167 ( -0.181 0.000 0.223) 0.288 8.190 ( 0.339 0.000 -0.776) 0.847 8.204 ( -0.035 0.000 0.327) 0.329 8.216 ( -0.151 0.000 -0.044) 0.157 ======================= Grid point 39 (17/42) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -8.529 0.000 4.698) 9.738 0.549 ( -13.372 0.000 -0.735) 13.393 0.617 ( -1.010 0.000 3.274) 3.427 0.717 ( 0.058 0.000 -0.505) 0.508 0.778 ( -3.915 0.000 2.307) 4.544 0.820 ( -4.437 0.000 -3.085) 5.404 0.893 ( 3.247 0.000 -1.533) 3.591 0.929 ( 2.382 0.000 1.439) 2.783 1.035 ( -2.924 0.000 -3.706) 4.720 1.037 ( 3.166 0.000 -4.400) 5.420 1.131 ( -1.365 0.000 2.072) 2.481 1.141 ( 0.492 0.000 1.168) 1.268 1.156 ( -1.841 0.000 4.188) 4.575 1.183 ( -8.423 0.000 7.016) 10.962 1.204 ( 0.598 0.000 -1.385) 1.509 1.248 ( -0.801 0.000 0.460) 0.924 1.275 ( 1.501 0.000 0.072) 1.502 1.332 ( -0.337 0.000 2.052) 2.079 1.340 ( 1.291 0.000 -0.864) 1.553 1.391 ( 0.479 0.000 0.221) 0.528 1.401 ( 4.202 0.000 -2.261) 4.772 1.431 ( -0.681 0.000 -1.844) 1.965 1.437 ( 2.341 0.000 0.357) 2.368 1.468 ( 0.725 0.000 -1.199) 1.401 1.514 ( 2.733 0.000 1.305) 3.029 1.557 ( 1.679 0.000 0.528) 1.760 1.565 ( -0.590 0.000 0.029) 0.591 1.619 ( -3.663 0.000 -2.600) 4.492 1.633 ( 3.723 0.000 4.107) 5.543 1.698 ( -2.040 0.000 1.070) 2.303 1.744 ( -0.154 0.000 -1.389) 1.397 1.798 ( -1.894 0.000 0.121) 1.898 1.816 ( 2.336 0.000 -2.350) 3.313 1.876 ( 0.447 0.000 -0.828) 0.942 1.880 ( -0.026 0.000 -2.783) 2.783 1.902 ( -2.094 0.000 -2.273) 3.091 1.984 ( 1.111 0.000 1.571) 1.924 2.015 ( -2.012 0.000 2.276) 3.038 2.019 ( 5.122 0.000 0.179) 5.125 2.123 ( -1.620 0.000 -0.264) 1.641 2.134 ( 2.408 0.000 2.397) 3.398 2.137 ( 0.025 0.000 0.624) 0.625 2.180 ( -0.839 0.000 0.004) 0.839 2.193 ( 1.580 0.000 -4.566) 4.831 2.198 ( -0.984 0.000 1.628) 1.902 2.366 ( 1.443 0.000 2.556) 2.935 2.467 ( 0.244 0.000 -4.623) 4.630 2.540 ( -2.432 0.000 -7.185) 7.586 3.271 ( -0.668 0.000 1.399) 1.550 3.316 ( 0.149 0.000 -0.755) 0.770 3.393 ( 0.036 0.000 0.129) 0.134 3.439 ( 1.089 0.000 2.178) 2.435 3.599 ( 0.367 0.000 0.673) 0.767 3.609 ( -0.526 0.000 -1.215) 1.324 3.752 ( -0.656 0.000 2.903) 2.976 3.816 ( 1.106 0.000 0.859) 1.400 3.868 ( -0.112 0.000 -1.453) 1.458 3.878 ( -0.808 0.000 2.379) 2.513 3.932 ( 1.968 0.000 -1.831) 2.688 4.085 ( 2.509 0.000 -4.363) 5.033 4.236 ( -0.334 0.000 2.333) 2.357 4.285 ( -0.908 0.000 3.097) 3.228 4.294 ( 0.558 0.000 -1.712) 1.801 4.353 ( 0.277 0.000 -0.683) 0.737 4.440 ( -0.026 0.000 1.722) 1.723 4.447 ( -0.525 0.000 1.824) 1.898 4.541 ( -1.141 0.000 3.171) 3.370 4.556 ( 0.969 0.000 -2.322) 2.516 4.676 ( 0.598 0.000 0.500) 0.779 4.684 ( 2.438 0.000 -2.146) 3.248 4.779 ( -1.043 0.000 3.096) 3.267 4.874 ( 0.308 0.000 -1.188) 1.227 4.899 ( -3.132 0.000 7.149) 7.805 5.167 ( 0.665 0.000 -3.661) 3.721 5.313 ( 0.386 0.000 -0.284) 0.479 5.360 ( -0.373 0.000 0.180) 0.414 5.424 ( 2.640 0.000 -4.071) 4.852 5.530 ( 1.822 0.000 -6.175) 6.438 5.724 ( -1.539 0.000 2.705) 3.113 5.741 ( -0.603 0.000 1.971) 2.062 5.760 ( -0.695 0.000 1.712) 1.848 5.829 ( -0.101 0.000 0.095) 0.138 5.867 ( -0.321 0.000 0.803) 0.865 5.949 ( 0.333 0.000 -1.449) 1.486 6.056 ( 0.464 0.000 1.814) 1.873 6.083 ( -0.196 0.000 0.623) 0.653 6.131 ( -0.221 0.000 0.901) 0.928 6.188 ( -0.312 0.000 1.694) 1.722 6.308 ( -0.355 0.000 1.282) 1.330 6.333 ( -0.403 0.000 1.225) 1.290 6.375 ( 0.565 0.000 -1.675) 1.768 6.477 ( 1.438 0.000 -3.434) 3.723 8.163 ( -0.309 0.000 0.249) 0.397 8.190 ( 0.303 0.000 -0.740) 0.799 8.209 ( 0.185 0.000 0.391) 0.433 8.215 ( 0.078 0.000 -0.074) 0.108 ======================= Grid point 40 (18/42) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -11.995 0.000 3.718) 12.558 0.392 ( -11.126 0.000 11.168) 15.765 0.608 ( -17.244 0.000 11.277) 20.604 0.628 ( -0.782 0.000 2.862) 2.967 0.709 ( 0.050 0.000 -2.237) 2.238 0.725 ( -2.556 0.000 1.043) 2.761 0.925 ( 1.876 0.000 -4.723) 5.082 0.937 ( -0.212 0.000 -5.247) 5.251 0.956 ( -1.481 0.000 -5.242) 5.447 1.084 ( 0.492 0.000 1.551) 1.627 1.098 ( 3.841 0.000 -0.362) 3.858 1.152 ( -1.225 0.000 5.707) 5.837 1.173 ( 1.826 0.000 0.578) 1.916 1.207 ( 0.419 0.000 4.052) 4.073 1.229 ( -0.136 0.000 0.943) 0.952 1.246 ( 1.630 0.000 -0.125) 1.635 1.275 ( -1.333 0.000 1.667) 2.134 1.339 ( -0.463 0.000 1.999) 2.052 1.359 ( 1.542 0.000 -2.253) 2.730 1.389 ( 0.314 0.000 -1.358) 1.393 1.412 ( 0.284 0.000 0.442) 0.525 1.439 ( 1.339 0.000 -3.639) 3.877 1.446 ( -1.552 0.000 4.843) 5.085 1.479 ( 1.032 0.000 -0.345) 1.088 1.537 ( -3.062 0.000 -2.663) 4.058 1.567 ( -0.365 0.000 2.382) 2.410 1.600 ( 2.919 0.000 -1.046) 3.101 1.609 ( 3.863 0.000 -0.495) 3.895 1.665 ( -1.696 0.000 1.823) 2.490 1.721 ( -0.861 0.000 -0.725) 1.126 1.759 ( 1.508 0.000 -0.528) 1.598 1.780 ( 2.178 0.000 3.283) 3.940 1.819 ( -0.597 0.000 -2.847) 2.909 1.860 ( 1.111 0.000 -3.269) 3.452 1.860 ( 1.231 0.000 -3.192) 3.421 1.877 ( 0.028 0.000 -0.095) 0.099 1.992 ( 0.665 0.000 -0.725) 0.984 1.995 ( -2.875 0.000 -3.389) 4.444 2.044 ( -0.317 0.000 5.697) 5.706 2.103 ( -4.306 0.000 -0.242) 4.313 2.144 ( 0.747 0.000 -0.053) 0.749 2.150 ( -1.318 0.000 0.387) 1.374 2.160 ( 1.308 0.000 2.188) 2.549 2.219 ( 0.507 0.000 -0.861) 0.999 2.222 ( 2.589 0.000 -2.251) 3.431 2.353 ( -9.735 0.000 -6.095) 11.486 2.385 ( 0.087 0.000 0.554) 0.561 2.454 ( 1.942 0.000 -5.127) 5.482 3.268 ( -0.718 0.000 1.460) 1.627 3.315 ( 0.316 0.000 -0.664) 0.735 3.397 ( 0.077 0.000 0.423) 0.430 3.486 ( 1.525 0.000 0.962) 1.803 3.600 ( 0.226 0.000 -0.215) 0.312 3.607 ( 0.073 0.000 0.657) 0.661 3.759 ( -1.014 0.000 2.886) 3.059 3.856 ( 0.560 0.000 -0.788) 0.967 3.878 ( -0.917 0.000 1.957) 2.161 3.878 ( 3.582 0.000 -0.355) 3.600 3.953 ( 1.620 0.000 -2.138) 2.683 4.110 ( 3.133 0.000 -3.955) 5.045 4.251 ( -0.344 0.000 2.678) 2.700 4.295 ( -0.020 0.000 2.045) 2.045 4.299 ( 1.033 0.000 -1.188) 1.574 4.356 ( 0.478 0.000 -0.760) 0.898 4.449 ( -0.436 0.000 1.782) 1.835 4.474 ( 1.893 0.000 2.959) 3.512 4.542 ( -1.202 0.000 2.897) 3.136 4.558 ( 0.897 0.000 -1.681) 1.906 4.692 ( 0.130 0.000 1.249) 1.255 4.716 ( 2.163 0.000 -2.133) 3.038 4.789 ( -0.404 0.000 3.985) 4.006 4.873 ( 0.436 0.000 -1.069) 1.154 4.895 ( -2.927 0.000 7.350) 7.911 5.152 ( 0.611 0.000 -1.751) 1.855 5.314 ( 0.076 0.000 -0.785) 0.789 5.354 ( -0.049 0.000 -0.705) 0.707 5.441 ( 2.902 0.000 -6.423) 7.048 5.517 ( 1.634 0.000 -5.530) 5.767 5.715 ( -1.366 0.000 2.670) 3.000 5.751 ( -0.014 0.000 2.395) 2.396 5.758 ( -0.855 0.000 1.822) 2.012 5.829 ( 0.144 0.000 -0.261) 0.298 5.863 ( -0.796 0.000 1.214) 1.452 5.946 ( 0.471 0.000 -1.300) 1.383 6.086 ( 1.027 0.000 1.514) 1.830 6.087 ( -0.031 0.000 0.898) 0.899 6.137 ( 0.185 0.000 0.793) 0.814 6.198 ( -0.404 0.000 2.260) 2.296 6.308 ( -0.612 0.000 1.312) 1.448 6.336 ( -0.317 0.000 1.385) 1.421 6.374 ( 0.732 0.000 -1.821) 1.963 6.481 ( 1.575 0.000 -3.257) 3.618 8.160 ( -0.255 0.000 0.387) 0.463 8.190 ( 0.260 0.000 -0.731) 0.776 8.215 ( 0.102 0.000 0.366) 0.380 8.218 ( 0.212 0.000 0.014) 0.212 ======================= Grid point 41 (19/42) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 0.417 8.550 8.606) 12.138 0.407 ( 4.135 11.202 6.705) 13.694 0.621 ( -2.187 1.796 -0.060) 2.831 0.677 ( 1.014 -1.738 -0.966) 2.232 0.732 ( -0.980 5.716 3.839) 6.955 0.817 ( -1.632 12.626 9.153) 15.680 0.887 ( 0.389 -0.624 -6.318) 6.361 0.930 ( 0.851 2.191 -5.109) 5.624 0.937 ( 0.322 2.839 -5.315) 6.035 1.084 ( -3.141 -1.984 -1.467) 3.994 1.091 ( 0.245 -0.918 -0.701) 1.181 1.160 ( 1.997 -0.181 1.187) 2.330 1.174 ( -0.475 -2.465 1.619) 2.988 1.183 ( -2.528 -0.108 3.420) 4.254 1.225 ( -1.140 0.456 2.254) 2.566 1.285 ( -0.066 -0.664 2.937) 3.012 1.309 ( -2.705 -1.492 -1.185) 3.309 1.321 ( 1.775 0.969 1.497) 2.516 1.376 ( -1.137 -0.263 2.979) 3.199 1.383 ( -0.181 -0.946 -2.268) 2.464 1.398 ( 1.306 0.487 0.385) 1.446 1.422 ( 2.633 -2.308 -1.663) 3.877 1.425 ( -1.511 -0.296 -0.905) 1.786 1.517 ( -0.926 -1.963 0.766) 2.302 1.558 ( 2.232 1.987 2.151) 3.682 1.567 ( -0.719 1.900 1.998) 2.849 1.588 ( 0.084 -0.866 1.326) 1.586 1.641 ( 2.360 -1.631 0.141) 2.872 1.659 ( 0.492 -0.548 -0.340) 0.811 1.690 ( -2.630 -0.138 -2.335) 3.520 1.760 ( 1.252 -2.526 -1.102) 3.027 1.766 ( -4.135 -0.250 -1.631) 4.452 1.802 ( 1.154 -0.152 -2.627) 2.873 1.853 ( 0.959 -0.457 -4.609) 4.729 1.888 ( 0.599 0.853 -0.163) 1.055 1.941 ( 0.079 3.721 -0.263) 3.731 1.950 ( 2.108 -0.173 -1.850) 2.810 1.970 ( -1.945 0.184 -0.846) 2.129 2.050 ( 1.740 0.152 2.510) 3.058 2.096 ( 0.756 0.102 2.967) 3.064 2.124 ( -0.429 -3.425 1.915) 3.947 2.148 ( -1.360 0.956 -0.225) 1.678 2.184 ( -1.160 1.826 0.560) 2.234 2.216 ( -0.534 0.380 1.489) 1.627 2.252 ( -0.569 1.044 2.465) 2.737 2.285 ( 5.154 0.644 -0.520) 5.220 2.375 ( -0.777 0.184 -1.883) 2.045 2.463 ( 2.949 -0.573 -3.576) 4.671 3.283 ( -0.494 1.558 1.284) 2.079 3.332 ( 0.387 1.144 -0.564) 1.333 3.403 ( 0.018 -0.232 1.070) 1.095 3.438 ( -1.313 -2.561 1.602) 3.294 3.608 ( -0.123 0.603 0.532) 0.813 3.621 ( -0.241 0.479 0.573) 0.785 3.741 ( -0.741 -1.787 1.359) 2.364 3.799 ( -0.991 -4.880 0.764) 5.038 3.841 ( -0.365 -0.337 1.105) 1.211 3.908 ( 1.261 1.135 -3.289) 3.701 3.975 ( -0.086 0.871 -0.234) 0.906 4.043 ( 1.146 -4.893 -2.226) 5.496 4.218 ( -1.601 -1.954 3.080) 3.984 4.299 ( -0.141 0.280 0.379) 0.492 4.343 ( 0.847 -0.970 -1.320) 1.845 4.353 ( 1.347 1.439 -3.317) 3.858 4.450 ( -0.385 -1.937 0.435) 2.022 4.490 ( 0.431 1.340 -0.280) 1.435 4.570 ( -1.573 2.843 3.701) 4.924 4.646 ( 0.195 4.209 -3.032) 5.191 4.669 ( -1.091 -1.678 0.609) 2.092 4.711 ( 0.567 -1.305 -1.371) 1.976 4.842 ( -0.714 -0.712 2.286) 2.499 4.848 ( -0.914 -0.568 2.015) 2.284 4.960 ( -1.308 4.015 0.575) 4.262 5.141 ( 2.705 -5.301 -1.598) 6.162 5.266 ( -0.025 -2.235 -1.306) 2.589 5.332 ( 0.730 -1.170 -2.334) 2.711 5.438 ( -1.660 1.867 -0.602) 2.570 5.522 ( 0.852 0.076 -1.191) 1.466 5.682 ( -0.979 -0.700 1.865) 2.220 5.731 ( -0.434 -0.808 1.162) 1.480 5.786 ( 1.356 0.455 -2.164) 2.594 5.833 ( 0.758 0.087 -1.559) 1.735 5.892 ( -0.810 2.694 1.527) 3.201 5.977 ( 1.076 1.063 -1.496) 2.127 6.070 ( -0.600 0.767 1.221) 1.561 6.099 ( -0.155 0.395 -0.102) 0.437 6.143 ( -0.706 -0.504 2.249) 2.411 6.209 ( -1.637 1.593 2.387) 3.304 6.288 ( -0.191 -1.737 0.092) 1.749 6.321 ( -1.147 -1.319 2.924) 3.407 6.392 ( 0.778 1.091 -2.112) 2.501 6.476 ( 1.264 -1.145 -2.813) 3.290 8.165 ( -0.113 0.527 0.453) 0.704 8.193 ( 0.242 0.335 -0.687) 0.802 8.211 ( -0.136 -0.485 0.360) 0.619 8.221 ( 0.090 -0.147 -0.034) 0.176 ======================= Grid point 42 (20/42) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 5.077 5.116 6.599) 9.773 0.562 ( 4.184 7.413 5.417) 10.090 0.608 ( 1.444 2.682 1.660) 3.469 0.680 ( -0.210 -0.358 -0.183) 0.453 0.771 ( 3.408 1.472 0.471) 3.742 0.844 ( -0.114 2.107 -5.404) 5.802 0.873 ( 1.032 -0.699 -4.324) 4.500 0.897 ( 2.636 3.811 -3.727) 5.947 1.010 ( 5.564 4.777 4.657) 8.687 1.038 ( -0.779 -1.473 0.948) 1.917 1.116 ( 2.061 -1.879 0.797) 2.900 1.139 ( -2.681 0.720 4.144) 4.988 1.155 ( -2.046 1.584 2.132) 3.353 1.182 ( -0.563 1.906 -1.785) 2.671 1.237 ( 0.082 -0.242 0.352) 0.435 1.249 ( -1.716 -2.733 1.999) 3.796 1.302 ( -0.115 -0.404 2.887) 2.918 1.345 ( -0.857 -1.569 -1.812) 2.545 1.365 ( -1.567 -0.219 3.160) 3.534 1.376 ( -0.730 -0.315 -0.662) 1.034 1.390 ( 0.970 0.399 1.620) 1.929 1.412 ( -1.289 -3.037 -2.140) 3.933 1.447 ( 1.341 -0.479 -1.391) 1.991 1.538 ( -3.074 0.920 -0.002) 3.208 1.543 ( 0.421 0.453 0.444) 0.761 1.554 ( -1.213 0.415 0.476) 1.367 1.578 ( -3.766 0.370 -1.770) 4.178 1.609 ( -2.679 0.488 0.405) 2.753 1.674 ( 2.201 1.589 3.026) 4.066 1.685 ( -1.392 -0.368 -0.281) 1.467 1.719 ( 2.188 -0.337 -0.865) 2.377 1.769 ( 1.011 -1.119 -1.142) 1.892 1.801 ( 1.760 -0.678 -2.318) 2.989 1.853 ( 1.554 -0.573 -2.162) 2.723 1.884 ( -0.233 0.336 -0.587) 0.715 1.923 ( -0.597 0.733 0.100) 0.950 1.950 ( 0.242 1.135 -2.985) 3.202 1.983 ( 1.494 1.283 0.100) 1.972 2.087 ( -1.260 -0.845 -0.408) 1.571 2.120 ( 1.732 1.658 1.602) 2.884 2.126 ( -0.661 -1.533 1.405) 2.182 2.153 ( -0.694 -0.219 2.325) 2.436 2.176 ( 1.319 0.881 0.000) 1.586 2.206 ( -1.859 0.116 0.635) 1.968 2.232 ( -1.268 -0.208 1.013) 1.637 2.340 ( -0.549 0.940 -2.819) 3.022 2.422 ( 5.746 -2.788 -1.908) 6.666 2.499 ( 3.836 -0.603 -4.280) 5.778 3.285 ( -0.269 1.686 1.160) 2.064 3.336 ( 0.335 1.198 -0.473) 1.331 3.409 ( -0.506 -0.674 1.524) 1.742 3.421 ( -1.126 -1.108 0.898) 1.817 3.598 ( -0.915 0.596 0.398) 1.162 3.634 ( 0.842 0.846 0.536) 1.309 3.735 ( -0.982 -1.315 1.536) 2.248 3.784 ( -0.693 -3.636 0.462) 3.730 3.842 ( -0.394 -0.262 0.986) 1.094 3.909 ( 1.274 1.101 -3.162) 3.582 3.965 ( -0.788 0.975 0.302) 1.290 4.039 ( 0.439 -4.304 -2.776) 5.140 4.209 ( -1.727 -2.074 3.190) 4.179 4.293 ( -0.545 0.243 0.229) 0.639 4.344 ( 0.216 -1.091 -1.227) 1.656 4.354 ( 1.132 1.302 -3.052) 3.506 4.441 ( -0.723 -1.530 0.446) 1.750 4.493 ( -0.177 1.463 0.213) 1.489 4.549 ( -2.696 3.677 2.981) 5.448 4.621 ( -0.695 3.325 -0.293) 3.410 4.655 ( -0.505 -1.109 -0.091) 1.222 4.702 ( -0.644 -1.181 -0.888) 1.612 4.835 ( -1.342 2.418 1.652) 3.222 4.848 ( -0.828 -3.102 2.595) 4.128 4.950 ( -1.059 3.868 2.551) 4.753 5.144 ( 0.247 -6.689 -3.482) 7.545 5.264 ( 0.539 -1.642 -0.674) 1.855 5.339 ( 1.707 -1.661 -2.584) 3.514 5.411 ( -1.206 2.186 1.359) 2.843 5.536 ( 1.364 0.132 -1.144) 1.785 5.676 ( -0.929 -0.820 1.485) 1.934 5.730 ( -0.481 -0.740 0.991) 1.327 5.789 ( 0.801 1.119 -2.000) 2.428 5.836 ( 0.792 0.487 -1.716) 1.952 5.892 ( -0.539 2.668 1.738) 3.230 5.976 ( 0.094 1.025 -1.420) 1.753 6.066 ( -0.570 1.910 0.905) 2.189 6.097 ( -0.171 0.442 0.205) 0.516 6.144 ( -1.003 -0.664 2.158) 2.471 6.200 ( -0.875 1.380 1.774) 2.412 6.284 ( -0.294 -1.709 0.208) 1.747 6.321 ( -1.131 -1.374 2.737) 3.265 6.392 ( 0.641 0.924 -1.658) 2.004 6.478 ( 1.044 -1.165 -2.744) 3.158 8.168 ( 0.001 0.480 0.429) 0.644 8.193 ( 0.272 0.340 -0.689) 0.815 8.208 ( -0.323 -0.338 0.260) 0.535 8.221 ( -0.071 -0.196 -0.004) 0.209 ======================= Grid point 43 (21/42) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 1.626 0.710 0.482) 1.839 0.618 ( 2.814 3.628 1.249) 4.758 0.682 ( 1.059 0.185 0.264) 1.107 0.722 ( 2.661 2.748 4.655) 6.025 0.822 ( 1.343 -0.710 -4.222) 4.487 0.854 ( 1.196 1.613 -2.517) 3.219 0.863 ( 3.204 2.101 3.856) 5.436 0.942 ( 4.894 2.315 -4.101) 6.792 0.995 ( -2.992 1.417 2.199) 3.975 1.085 ( -2.539 0.278 -1.175) 2.811 1.100 ( -1.246 1.177 0.016) 1.714 1.151 ( -1.328 -0.193 1.472) 1.992 1.163 ( 1.954 1.327 0.711) 2.466 1.214 ( 1.031 -2.833 1.384) 3.317 1.235 ( 0.885 -2.496 0.895) 2.796 1.249 ( 1.574 0.589 -0.108) 1.684 1.314 ( -0.284 -2.527 0.729) 2.646 1.335 ( -2.943 0.897 0.718) 3.159 1.339 ( -0.069 -1.024 2.271) 2.492 1.369 ( -1.489 -1.633 0.364) 2.240 1.375 ( -0.326 -0.612 -1.476) 1.631 1.394 ( -1.266 0.424 -0.078) 1.337 1.428 ( -3.364 1.061 1.928) 4.020 1.479 ( -0.556 -0.488 1.928) 2.065 1.504 ( -0.310 0.786 0.162) 0.860 1.520 ( 0.448 2.690 -1.176) 2.970 1.580 ( 0.628 0.004 -0.368) 0.728 1.627 ( 0.992 1.892 3.041) 3.717 1.660 ( -0.548 -0.302 -0.745) 0.972 1.706 ( 0.445 -1.591 -2.211) 2.760 1.744 ( 2.555 0.274 -2.855) 3.841 1.783 ( 0.893 0.106 -1.062) 1.392 1.826 ( 1.112 0.821 0.748) 1.572 1.862 ( -0.260 -0.571 0.969) 1.154 1.886 ( -0.189 -0.003 -2.386) 2.393 1.920 ( 0.664 -0.687 0.940) 1.340 1.938 ( 1.520 2.370 -1.891) 3.392 2.008 ( 0.530 3.004 -0.157) 3.055 2.063 ( -2.750 -0.124 1.180) 2.995 2.100 ( -1.540 -0.906 0.052) 1.787 2.120 ( -3.017 1.895 0.909) 3.677 2.154 ( 0.099 0.749 0.942) 1.208 2.162 ( -0.557 0.646 0.480) 0.978 2.225 ( -0.682 -0.423 2.180) 2.323 2.234 ( 2.857 -0.454 -0.740) 2.986 2.312 ( -0.198 0.589 -2.739) 2.809 2.484 ( 2.973 -2.317 -2.067) 4.299 2.528 ( 2.006 -2.380 -4.480) 5.455 3.289 ( -0.216 1.762 0.973) 2.025 3.337 ( 0.133 1.126 -0.505) 1.241 3.407 ( -0.618 -0.723 0.426) 1.042 3.409 ( -0.790 -0.502 1.185) 1.510 3.590 ( -0.162 1.145 0.575) 1.291 3.652 ( 0.680 1.279 -0.355) 1.491 3.729 ( -0.827 -1.029 1.812) 2.242 3.780 ( -0.058 -2.951 0.117) 2.954 3.840 ( -0.549 -0.431 0.942) 1.172 3.906 ( 0.835 0.980 -2.817) 3.097 3.956 ( -0.294 1.531 0.199) 1.572 4.022 ( 0.240 -4.140 -2.753) 4.977 4.202 ( -1.355 -2.173 3.119) 4.036 4.285 ( -0.550 0.240 0.425) 0.735 4.334 ( -0.047 -1.023 -1.375) 1.714 4.350 ( 0.895 0.647 -3.066) 3.259 4.434 ( -0.515 -0.659 0.999) 1.303 4.486 ( -0.969 1.533 1.211) 2.181 4.530 ( -1.083 3.321 1.799) 3.929 4.612 ( -0.665 2.195 1.013) 2.507 4.648 ( 0.071 -0.146 -0.768) 0.785 4.678 ( -0.748 -0.671 -0.883) 1.338 4.825 ( -1.054 2.566 1.834) 3.326 4.850 ( -1.078 -2.691 2.832) 4.053 4.950 ( -0.930 3.745 2.392) 4.540 5.121 ( 0.137 -6.018 -2.853) 6.661 5.274 ( 0.740 -1.434 -0.373) 1.657 5.351 ( 1.165 -2.329 -2.092) 3.340 5.407 ( -0.071 2.212 0.822) 2.361 5.552 ( 1.093 0.085 -1.449) 1.817 5.671 ( -0.855 -1.229 1.984) 2.486 5.729 ( -0.439 -1.001 1.154) 1.590 5.791 ( 0.913 1.329 -2.183) 2.714 5.837 ( 0.621 0.519 -1.627) 1.817 5.896 ( -0.286 2.703 1.462) 3.086 5.967 ( 0.210 0.777 -1.427) 1.639 6.062 ( -0.443 2.041 0.746) 2.218 6.094 ( -0.145 0.476 -0.028) 0.499 6.136 ( -1.240 -0.716 1.814) 2.311 6.199 ( -0.583 1.354 1.512) 2.112 6.281 ( -0.117 -1.903 0.161) 1.913 6.319 ( -1.211 -1.244 2.850) 3.337 6.391 ( 0.523 0.846 -1.423) 1.736 6.474 ( 0.844 -1.072 -2.908) 3.212 8.171 ( -0.024 0.418 0.325) 0.530 8.193 ( 0.299 0.355 -0.697) 0.838 8.204 ( -0.297 -0.203 0.227) 0.425 8.219 ( -0.157 -0.161 -0.048) 0.230 ======================= Grid point 44 (22/42) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -2.588 -0.499 0.852) 2.769 0.630 ( -1.485 0.570 1.628) 2.276 0.707 ( 1.154 -0.284 -1.722) 2.092 0.770 ( -0.412 2.840 2.899) 4.079 0.810 ( 1.043 -2.804 -4.334) 5.266 0.865 ( -5.441 3.340 1.356) 6.526 0.903 ( 2.243 3.009 1.008) 3.886 0.946 ( -1.428 2.603 1.630) 3.387 0.997 ( 1.542 0.293 -4.637) 4.895 1.075 ( 3.208 1.818 0.837) 3.781 1.104 ( 2.040 0.756 1.282) 2.525 1.158 ( -1.480 1.214 2.062) 2.813 1.181 ( -0.531 -0.988 0.701) 1.323 1.217 ( -1.611 0.623 0.915) 1.954 1.223 ( 0.059 -0.342 0.228) 0.415 1.265 ( 0.973 1.204 -2.199) 2.689 1.297 ( -0.878 -1.450 1.252) 2.107 1.320 ( 0.358 -0.646 0.981) 1.227 1.333 ( 0.534 -1.358 -2.922) 3.266 1.358 ( -0.900 -2.410 -0.419) 2.607 1.387 ( 1.318 0.724 1.967) 2.477 1.392 ( -1.984 1.292 3.188) 3.971 1.416 ( -0.626 -1.354 2.119) 2.591 1.448 ( 2.042 -0.082 2.435) 3.179 1.511 ( 0.253 0.912 -0.094) 0.951 1.555 ( -1.959 3.154 0.836) 3.806 1.589 ( 0.022 0.755 -0.075) 0.759 1.622 ( -1.178 -0.052 -1.630) 2.011 1.661 ( -0.334 -1.640 0.991) 1.945 1.686 ( 0.053 -1.626 -2.816) 3.253 1.756 ( 0.653 -1.931 -2.949) 3.585 1.792 ( -0.942 0.592 -2.229) 2.491 1.813 ( 1.152 -1.810 -1.904) 2.868 1.873 ( -0.588 0.492 -0.008) 0.767 1.880 ( 0.451 0.856 0.659) 1.171 1.950 ( -0.509 0.983 -0.103) 1.111 1.955 ( 0.993 2.016 0.624) 2.333 1.984 ( 1.144 2.336 1.320) 2.917 2.053 ( 0.010 0.352 -0.314) 0.472 2.067 ( -0.790 1.890 2.334) 3.105 2.127 ( 1.884 1.121 1.157) 2.479 2.146 ( -1.143 0.262 0.415) 1.244 2.164 ( 1.026 0.763 -0.361) 1.329 2.222 ( -1.650 -0.334 1.472) 2.236 2.257 ( -1.265 -0.130 -1.210) 1.755 2.305 ( 2.136 -0.222 -0.785) 2.286 2.491 ( -0.534 -0.886 -3.439) 3.591 2.533 ( 1.933 -4.019 -3.348) 5.576 3.291 ( -0.352 1.690 0.950) 1.970 3.333 ( 0.012 1.047 -0.732) 1.277 3.394 ( -0.692 -0.306 0.466) 0.889 3.409 ( -0.033 -0.650 0.674) 0.936 3.599 ( 0.344 1.433 1.123) 1.853 3.650 ( -0.277 1.540 -1.135) 1.933 3.732 ( -0.390 -1.125 1.995) 2.323 3.778 ( -0.128 -2.527 -0.067) 2.531 3.839 ( -0.330 -0.485 1.053) 1.205 3.906 ( 1.320 0.907 -2.587) 3.042 3.953 ( -0.033 2.092 -0.233) 2.105 4.011 ( 0.767 -4.659 -2.368) 5.282 4.205 ( -0.866 -2.126 3.125) 3.878 4.279 ( -0.401 0.362 0.563) 0.780 4.324 ( 0.305 -0.731 -1.646) 1.827 4.344 ( 0.951 0.255 -2.974) 3.133 4.436 ( -0.256 -0.561 1.271) 1.412 4.478 ( -0.778 1.667 1.326) 2.268 4.529 ( -0.457 3.310 1.661) 3.732 4.610 ( -0.251 1.632 1.034) 1.949 4.646 ( 0.752 0.519 -1.523) 1.776 4.670 ( 0.585 -0.226 -0.693) 0.934 4.822 ( -0.786 2.938 2.176) 3.740 4.848 ( -1.335 -2.789 2.764) 4.147 4.950 ( -0.886 3.903 2.309) 4.621 5.108 ( 0.527 -5.455 -2.527) 6.035 5.283 ( 0.338 -1.580 -0.186) 1.627 5.352 ( 0.372 -2.166 -1.412) 2.612 5.419 ( 0.982 1.961 -0.114) 2.196 5.553 ( 0.148 -0.174 -1.494) 1.511 5.675 ( -0.590 -1.352 2.460) 2.868 5.730 ( -0.407 -1.127 1.314) 1.778 5.788 ( 0.602 1.132 -2.554) 2.858 5.836 ( 0.437 0.229 -1.434) 1.516 5.902 ( -0.196 2.752 1.072) 2.960 5.962 ( 0.404 0.719 -1.480) 1.694 6.060 ( -0.365 1.621 0.930) 1.905 6.092 ( 0.129 0.687 -0.445) 0.829 6.128 ( -0.882 -0.498 1.678) 1.960 6.200 ( -0.581 1.453 1.685) 2.300 6.282 ( 0.154 -2.124 0.032) 2.130 6.318 ( -1.230 -1.054 3.031) 3.436 6.391 ( 0.570 0.934 -1.477) 1.838 6.468 ( 0.975 -0.961 -3.083) 3.373 8.171 ( -0.171 0.408 0.240) 0.503 8.194 ( 0.306 0.364 -0.720) 0.863 8.202 ( -0.084 -0.212 0.320) 0.393 8.215 ( -0.063 -0.077 -0.125) 0.160 ======================= Grid point 45 (23/42) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -7.997 0.073 2.356) 8.337 0.609 ( -9.104 2.876 -1.584) 9.678 0.626 ( -2.284 1.494 2.095) 3.440 0.713 ( -1.445 0.608 0.945) 1.830 0.792 ( -0.695 1.362 -0.738) 1.698 0.875 ( 3.092 0.901 -2.344) 3.983 0.923 ( -1.705 3.500 1.865) 4.317 0.966 ( 2.483 3.016 2.324) 4.545 0.986 ( 0.514 -0.444 -2.957) 3.034 1.103 ( -0.738 1.925 -1.894) 2.800 1.122 ( -1.160 -1.009 -0.232) 1.555 1.135 ( 0.211 0.805 2.036) 2.199 1.174 ( -2.756 2.238 0.165) 3.554 1.204 ( -1.031 -0.151 1.178) 1.573 1.218 ( 0.760 -0.390 2.159) 2.322 1.259 ( -4.112 1.600 0.172) 4.416 1.283 ( -2.599 1.689 1.576) 3.477 1.327 ( 0.305 -2.900 1.880) 3.470 1.343 ( 2.839 1.140 -0.399) 3.085 1.382 ( 1.592 -0.053 -0.765) 1.767 1.397 ( 2.487 -2.427 1.316) 3.716 1.410 ( 0.384 1.917 1.287) 2.341 1.430 ( -0.540 0.922 -1.310) 1.691 1.483 ( -0.962 -0.271 0.010) 1.000 1.520 ( 1.693 1.241 -0.657) 2.199 1.548 ( 0.582 -0.779 0.368) 1.039 1.582 ( 1.047 -0.220 2.554) 2.769 1.597 ( -0.253 0.286 -0.284) 0.476 1.661 ( -0.219 0.843 0.511) 1.010 1.665 ( 0.392 -2.202 0.537) 2.300 1.729 ( -0.652 -2.174 -2.094) 3.088 1.760 ( 0.639 -0.947 -2.566) 2.809 1.806 ( -1.612 -3.337 -0.778) 3.787 1.864 ( 0.628 1.495 -1.396) 2.139 1.886 ( 0.420 1.133 -0.800) 1.450 1.956 ( -0.381 1.636 -0.900) 1.906 1.979 ( 0.464 -0.526 0.472) 0.846 2.019 ( -1.585 0.999 2.937) 3.484 2.045 ( 4.203 1.914 0.661) 4.665 2.094 ( -0.655 -0.498 0.623) 1.032 2.148 ( 0.600 1.215 0.020) 1.356 2.166 ( -0.247 -1.494 -3.535) 3.846 2.181 ( -0.518 1.181 1.098) 1.693 2.187 ( 0.866 0.173 -0.160) 0.897 2.209 ( -2.160 1.153 1.884) 3.090 2.353 ( 1.805 -1.183 0.991) 2.375 2.440 ( -1.668 -1.923 -3.270) 4.144 2.513 ( -0.927 -1.884 -5.733) 6.105 3.289 ( -0.628 1.611 1.164) 2.084 3.329 ( 0.194 1.044 -0.756) 1.304 3.391 ( 0.021 -0.169 0.243) 0.297 3.419 ( 0.133 -1.358 1.834) 2.286 3.614 ( 0.061 1.519 1.088) 1.869 3.629 ( -0.725 1.402 -0.993) 1.865 3.741 ( -0.311 -1.474 1.731) 2.294 3.779 ( 0.253 -2.777 0.565) 2.845 3.841 ( -0.305 -0.113 1.004) 1.056 3.911 ( 1.283 0.793 -3.204) 3.542 3.956 ( 0.635 1.824 -0.089) 1.934 4.016 ( 1.376 -4.948 -2.072) 5.538 4.215 ( -0.686 -1.969 3.163) 3.788 4.280 ( 0.077 0.574 0.689) 0.900 4.323 ( 0.886 -0.441 -1.673) 1.944 4.344 ( 1.404 0.396 -3.013) 3.347 4.442 ( -0.088 -1.012 1.200) 1.572 4.476 ( -0.199 1.417 0.786) 1.633 4.537 ( -0.404 4.165 2.712) 4.987 4.622 ( 1.078 2.552 -0.032) 2.771 4.655 ( 0.995 -0.331 -0.859) 1.355 4.684 ( 1.378 -0.451 -1.109) 1.826 4.826 ( -0.644 3.400 2.531) 4.287 4.843 ( -1.233 -3.256 2.578) 4.333 4.953 ( -0.547 4.606 2.578) 5.307 5.099 ( 0.530 -5.083 -2.555) 5.713 5.284 ( -0.044 -2.165 -0.292) 2.185 5.347 ( 0.172 -1.708 -1.055) 2.015 5.441 ( 1.572 1.809 -1.000) 2.597 5.537 ( -0.511 -0.483 -1.202) 1.392 5.683 ( -0.572 -1.036 2.475) 2.743 5.732 ( -0.509 -1.160 1.453) 1.928 5.777 ( 0.458 0.870 -2.628) 2.806 5.833 ( 0.329 0.017 -1.242) 1.285 5.903 ( -0.421 2.691 0.810) 2.842 5.960 ( 0.559 0.875 -1.448) 1.781 6.062 ( -0.260 0.955 1.171) 1.533 6.094 ( 0.543 0.776 -0.670) 1.160 6.129 ( -0.386 -0.253 1.718) 1.779 6.204 ( -0.524 1.486 2.328) 2.811 6.286 ( 0.237 -2.150 0.002) 2.163 6.318 ( -1.185 -0.980 3.163) 3.517 6.391 ( 0.740 1.097 -1.751) 2.195 6.467 ( 1.272 -0.945 -3.035) 3.424 8.168 ( -0.277 0.462 0.266) 0.600 8.194 ( 0.276 0.347 -0.698) 0.827 8.204 ( 0.056 -0.351 0.366) 0.510 8.215 ( 0.149 -0.027 -0.129) 0.199 ======================= Grid point 46 (24/42) ======================= q-point: (-0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -6.765 5.521 5.931) 10.555 0.400 ( -8.175 9.439 1.613) 12.591 0.642 ( -0.139 1.482 2.663) 3.051 0.687 ( -1.107 -1.598 -1.885) 2.707 0.757 ( -2.812 4.680 2.005) 5.817 0.852 ( -5.274 10.589 3.531) 12.345 0.918 ( 1.156 -0.612 -3.235) 3.489 0.953 ( -2.228 0.769 -2.246) 3.256 0.993 ( -0.336 4.357 -3.322) 5.490 1.085 ( -0.256 1.566 0.079) 1.589 1.114 ( 0.011 0.769 2.608) 2.719 1.138 ( 0.680 -1.545 1.605) 2.329 1.154 ( 0.642 -1.279 0.470) 1.507 1.195 ( -2.319 -1.163 0.224) 2.604 1.216 ( 1.369 -0.683 1.147) 1.912 1.253 ( 1.219 0.216 2.722) 2.991 1.273 ( -0.203 0.864 2.199) 2.371 1.340 ( -0.225 -0.002 1.397) 1.415 1.371 ( -1.796 0.468 -1.452) 2.356 1.386 ( 0.967 0.014 -0.194) 0.987 1.404 ( 1.141 -0.602 -0.242) 1.312 1.413 ( -0.774 -1.849 1.486) 2.496 1.447 ( -0.056 -0.529 -1.852) 1.927 1.496 ( 2.560 0.372 -1.215) 2.858 1.537 ( 1.051 -2.364 1.535) 3.008 1.552 ( -0.896 -0.344 0.390) 1.036 1.559 ( -1.001 0.083 -0.002) 1.004 1.618 ( 1.349 0.204 -0.891) 1.629 1.676 ( -0.256 -0.387 -0.236) 0.521 1.721 ( 2.281 -1.044 0.680) 2.599 1.745 ( -0.498 -0.744 -0.573) 1.063 1.769 ( 2.175 -0.962 2.170) 3.220 1.776 ( 1.768 -1.013 -1.544) 2.557 1.869 ( 1.084 0.240 -2.600) 2.827 1.884 ( 0.082 1.077 -1.176) 1.596 1.936 ( 0.143 2.361 -1.578) 2.843 1.967 ( -0.830 0.584 -2.369) 2.577 2.029 ( -3.056 0.848 -1.029) 3.335 2.047 ( 0.599 0.760 3.803) 3.924 2.078 ( -3.435 -2.274 -0.282) 4.129 2.145 ( -2.521 -0.001 1.357) 2.863 2.154 ( 2.036 -1.775 0.893) 2.845 2.172 ( 0.432 1.865 -0.186) 1.923 2.204 ( 0.438 0.728 1.231) 1.496 2.213 ( 0.475 0.298 -0.068) 0.565 2.346 ( -5.291 -0.903 -2.275) 5.829 2.383 ( 0.412 0.241 0.252) 0.540 2.453 ( 0.918 -0.198 -5.174) 5.259 3.285 ( -0.713 1.546 1.296) 2.139 3.329 ( 0.374 1.068 -0.636) 1.298 3.395 ( 0.123 -0.139 0.482) 0.517 3.438 ( -0.250 -2.764 2.453) 3.704 3.608 ( -0.323 1.218 -0.205) 1.276 3.623 ( -0.267 0.980 0.688) 1.227 3.744 ( -0.554 -1.830 1.296) 2.310 3.797 ( 0.420 -4.408 1.202) 4.588 3.841 ( -0.479 -0.155 1.108) 1.217 3.909 ( 1.191 0.943 -3.269) 3.605 3.971 ( 0.775 1.203 -0.460) 1.503 4.031 ( 1.561 -5.046 -1.934) 5.625 4.222 ( -1.083 -1.882 3.021) 3.721 4.291 ( 0.379 0.507 0.733) 0.968 4.333 ( 1.209 -0.605 -1.486) 2.009 4.350 ( 1.638 0.892 -3.400) 3.878 4.449 ( -0.089 -1.485 0.903) 1.740 4.482 ( 0.429 1.059 -0.029) 1.143 4.556 ( -0.305 3.812 3.835) 5.416 4.646 ( 1.890 4.372 -2.590) 5.422 4.670 ( 0.370 -1.886 1.042) 2.186 4.702 ( 1.433 -1.045 -1.633) 2.411 4.836 ( -0.432 2.288 2.469) 3.393 4.842 ( -0.759 -2.670 2.671) 3.852 4.969 ( 0.263 5.053 1.145) 5.188 5.096 ( 1.194 -4.084 -0.806) 4.330 5.277 ( -0.105 -2.596 -0.886) 2.745 5.341 ( 0.096 -1.426 -1.384) 1.990 5.459 ( 1.022 1.600 -2.131) 2.854 5.522 ( 0.040 -0.327 -1.135) 1.182 5.687 ( -0.993 -0.838 2.304) 2.646 5.731 ( -0.696 -1.220 1.490) 2.048 5.773 ( 1.219 0.684 -2.144) 2.560 5.831 ( 0.524 -0.070 -1.268) 1.374 5.898 ( -0.716 2.641 0.977) 2.905 5.964 ( 1.003 1.077 -1.276) 1.947 6.068 ( -0.218 0.455 1.293) 1.387 6.100 ( 0.449 0.417 -0.642) 0.888 6.137 ( -0.295 -0.335 1.908) 1.959 6.214 ( -0.714 1.378 2.851) 3.247 6.289 ( -0.024 -1.928 0.109) 1.931 6.320 ( -1.093 -1.117 3.175) 3.539 6.392 ( 0.879 1.166 -2.131) 2.583 6.471 ( 1.435 -1.026 -2.883) 3.380 8.165 ( -0.235 0.518 0.379) 0.684 8.194 ( 0.238 0.337 -0.680) 0.796 8.208 ( 0.040 -0.478 0.369) 0.605 8.218 ( 0.212 -0.072 -0.068) 0.234 ======================= Grid point 47 (25/42) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 1.391 7.113 3.753) 8.161 0.617 ( 3.708 6.935 -1.699) 8.045 0.633 ( 1.279 -0.011 0.152) 1.288 0.695 ( 0.295 3.046 -1.184) 3.281 0.818 ( -0.880 2.044 -0.090) 2.227 0.849 ( -0.902 -1.623 -0.891) 2.059 0.945 ( -0.916 1.851 -0.962) 2.279 0.984 ( -1.488 -2.450 1.672) 3.319 1.010 ( -1.519 2.933 -2.737) 4.289 1.057 ( -2.118 -1.867 -3.391) 4.412 1.100 ( 0.648 3.494 0.808) 3.644 1.143 ( -1.277 0.660 1.638) 2.179 1.177 ( -1.716 0.670 1.235) 2.218 1.200 ( -0.318 1.741 -0.776) 1.933 1.226 ( -0.504 -0.666 4.059) 4.144 1.226 ( -0.167 -2.799 3.130) 4.202 1.295 ( -1.755 -0.323 -0.735) 1.930 1.321 ( 3.845 -2.540 -1.611) 4.881 1.338 ( -0.350 -0.771 -0.978) 1.294 1.351 ( -1.360 -1.930 0.026) 2.362 1.390 ( 0.069 1.439 1.311) 1.948 1.411 ( 0.731 -0.314 -0.331) 0.862 1.477 ( -0.168 3.830 0.022) 3.834 1.497 ( 2.033 0.155 0.242) 2.053 1.564 ( 0.106 -1.130 3.259) 3.451 1.588 ( 1.139 0.812 2.425) 2.799 1.598 ( -0.034 -0.791 0.974) 1.255 1.620 ( 0.695 -1.164 -0.294) 1.387 1.628 ( 1.640 1.445 1.401) 2.596 1.685 ( -0.709 -0.226 -0.744) 1.052 1.739 ( -1.341 -0.307 0.272) 1.402 1.766 ( -0.538 -1.012 -0.848) 1.425 1.779 ( -0.882 -1.127 -2.406) 2.800 1.813 ( -1.578 -3.046 -1.954) 3.947 1.908 ( 0.546 1.237 -0.278) 1.380 1.937 ( -0.151 -1.400 -0.154) 1.417 1.966 ( 0.955 0.582 0.508) 1.228 1.992 ( 1.803 -0.985 -0.200) 2.064 2.037 ( -0.488 2.084 -1.469) 2.597 2.074 ( 0.111 -1.123 -0.095) 1.133 2.143 ( -0.454 1.999 2.151) 2.971 2.163 ( -0.860 0.178 0.636) 1.084 2.222 ( -0.755 0.447 1.322) 1.586 2.224 ( -0.572 1.249 0.578) 1.490 2.264 ( -0.252 0.132 0.300) 0.413 2.281 ( 2.866 -0.908 -0.585) 3.063 2.398 ( -0.034 2.027 -0.614) 2.118 2.440 ( 1.327 -1.656 -1.510) 2.605 3.324 ( -0.198 2.019 0.791) 2.178 3.348 ( 0.362 -0.022 -0.242) 0.436 3.395 ( -0.540 -0.323 1.564) 1.686 3.402 ( -0.459 -0.954 1.285) 1.665 3.636 ( 0.516 1.344 -0.091) 1.443 3.638 ( -0.626 1.418 -0.082) 1.552 3.701 ( 0.073 -1.542 -0.322) 1.577 3.716 ( -0.304 -2.968 -0.368) 3.006 3.847 ( -0.006 1.376 0.946) 1.670 3.907 ( 0.011 -3.139 -0.760) 3.229 3.959 ( 0.289 0.584 -0.391) 0.760 3.988 ( 0.409 -1.266 -0.450) 1.404 4.222 ( -0.662 2.131 0.612) 2.314 4.276 ( 0.105 -2.399 -1.125) 2.652 4.321 ( 1.001 -0.187 -1.606) 1.901 4.342 ( 1.337 -1.927 -2.578) 3.485 4.478 ( -0.770 4.103 1.236) 4.354 4.532 ( -0.234 0.866 1.019) 1.358 4.599 ( -0.658 -0.242 0.744) 1.022 4.626 ( -0.518 -2.177 0.319) 2.260 4.693 ( 0.026 0.219 -0.550) 0.593 4.704 ( 0.558 0.457 -2.445) 2.549 4.795 ( -0.047 0.576 0.410) 0.708 4.849 ( 0.582 -2.484 -1.157) 2.802 5.021 ( -0.588 2.276 0.896) 2.515 5.063 ( -0.406 -1.955 0.163) 2.004 5.244 ( -0.499 0.609 1.370) 1.580 5.288 ( -0.329 -2.831 0.340) 2.870 5.480 ( -1.429 1.883 1.057) 2.590 5.510 ( -0.575 -1.005 1.656) 2.020 5.688 ( -0.189 0.863 0.231) 0.914 5.710 ( -0.123 -1.119 0.807) 1.385 5.801 ( 2.279 1.028 -4.318) 4.989 5.824 ( 1.789 -0.968 -3.414) 3.974 5.945 ( -0.163 2.067 -0.018) 2.074 5.975 ( 0.463 -0.837 -1.095) 1.454 6.091 ( -0.257 1.170 1.237) 1.721 6.121 ( -0.529 -1.390 2.189) 2.647 6.152 ( 0.400 3.863 -0.856) 3.977 6.231 ( 0.714 -3.302 -1.576) 3.728 6.250 ( -2.247 1.921 4.651) 5.511 6.290 ( -1.726 -1.735 3.976) 4.669 6.416 ( 0.764 1.215 -2.155) 2.589 6.445 ( 0.953 -1.600 -2.280) 2.944 8.179 ( -0.120 0.794 0.413) 0.903 8.195 ( -0.104 -0.605 0.250) 0.663 8.205 ( 0.188 0.389 -0.370) 0.569 8.215 ( 0.144 -0.440 -0.281) 0.542 ======================= Grid point 48 (26/42) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.420 3.523 -2.075) 4.110 0.651 ( 3.391 4.716 1.571) 6.017 0.659 ( 0.881 0.462 -1.457) 1.764 0.733 ( 3.863 2.244 -0.835) 4.545 0.818 ( 2.329 2.637 -0.040) 3.518 0.856 ( -0.661 1.613 4.731) 5.042 0.920 ( 0.028 3.530 -3.135) 4.721 0.968 ( 1.215 1.093 1.216) 2.037 0.995 ( 0.845 -0.480 0.373) 1.041 1.049 ( 2.041 -3.463 -0.236) 4.027 1.092 ( -3.402 1.173 1.804) 4.026 1.122 ( 0.590 2.008 0.116) 2.096 1.154 ( -1.998 -5.094 0.070) 5.473 1.200 ( 0.568 -1.466 0.350) 1.610 1.226 ( -1.855 -0.132 2.749) 3.319 1.236 ( -2.428 -0.658 2.743) 3.722 1.276 ( 0.580 1.615 1.075) 2.025 1.317 ( -1.129 -0.368 -1.939) 2.274 1.326 ( -0.832 -2.138 0.170) 2.300 1.348 ( 1.118 -2.238 -3.582) 4.369 1.406 ( -0.995 1.948 -0.624) 2.274 1.435 ( 0.690 -0.185 -0.817) 1.085 1.468 ( 1.819 3.659 2.099) 4.593 1.519 ( -1.428 -1.478 -0.749) 2.187 1.547 ( -1.159 0.848 -0.134) 1.443 1.570 ( -1.633 -0.721 -0.298) 1.810 1.621 ( -0.452 1.792 3.103) 3.611 1.644 ( -1.303 4.533 -0.319) 4.727 1.651 ( -1.526 -1.153 0.665) 2.025 1.712 ( 2.726 0.580 1.287) 3.070 1.732 ( 2.974 1.654 1.970) 3.932 1.735 ( 0.370 -1.171 -2.282) 2.592 1.778 ( 1.311 -1.726 -1.384) 2.572 1.814 ( 2.329 -5.169 -0.074) 5.670 1.892 ( -2.107 1.307 0.111) 2.482 1.920 ( -1.699 -1.263 0.072) 2.118 1.977 ( 0.525 2.119 -0.472) 2.234 2.012 ( 1.152 0.069 -0.582) 1.293 2.049 ( 1.018 -0.700 -0.632) 1.388 2.080 ( 1.737 -1.926 -1.054) 2.799 2.161 ( 0.692 1.840 1.381) 2.402 2.181 ( 0.805 1.003 2.158) 2.512 2.190 ( -1.845 0.795 0.475) 2.064 2.214 ( -1.061 -0.546 0.938) 1.518 2.252 ( -1.193 2.599 -0.553) 2.913 2.320 ( 0.625 -3.255 -1.909) 3.825 2.410 ( 1.727 2.140 -0.523) 2.799 2.465 ( 2.218 -2.502 -1.968) 3.880 3.328 ( 0.024 2.110 0.618) 2.199 3.354 ( 0.351 0.044 -0.268) 0.444 3.395 ( -0.696 -0.417 1.580) 1.777 3.401 ( -0.561 -0.768 1.030) 1.402 3.627 ( -0.242 2.084 -0.185) 2.106 3.653 ( 0.990 0.578 0.111) 1.152 3.702 ( 0.105 -1.536 0.002) 1.540 3.712 ( 0.325 -2.499 -0.509) 2.571 3.854 ( -0.153 1.296 0.911) 1.591 3.902 ( 0.135 -2.800 -0.767) 2.906 3.954 ( -0.382 0.893 -0.558) 1.120 3.989 ( 0.092 -1.680 -0.554) 1.771 4.210 ( -0.988 2.174 0.832) 2.529 4.266 ( -0.156 -2.547 -0.873) 2.697 4.321 ( 0.334 -0.280 -1.770) 1.823 4.341 ( 0.600 -1.861 -2.673) 3.312 4.474 ( -0.580 4.148 1.383) 4.411 4.530 ( -0.859 0.658 1.212) 1.625 4.589 ( -0.816 -0.148 0.565) 1.003 4.613 ( -0.818 -2.011 0.146) 2.175 4.682 ( -0.603 0.540 -0.387) 0.897 4.693 ( 0.119 0.638 -1.756) 1.872 4.797 ( -0.101 0.799 0.597) 1.003 4.854 ( 0.741 -2.175 -1.033) 2.519 5.018 ( -0.722 2.231 1.455) 2.759 5.047 ( -0.918 -1.799 0.068) 2.020 5.248 ( -0.101 0.498 1.213) 1.315 5.288 ( 0.088 -2.834 0.155) 2.840 5.462 ( -1.339 2.565 1.814) 3.415 5.512 ( -0.889 -2.070 2.579) 3.424 5.686 ( -0.019 1.152 -0.338) 1.201 5.711 ( -0.326 -1.103 0.517) 1.261 5.811 ( 2.054 1.140 -4.242) 4.849 5.833 ( 1.742 -0.790 -3.440) 3.936 5.944 ( 0.008 2.044 0.134) 2.048 5.974 ( 0.383 -0.866 -1.274) 1.587 6.093 ( -0.513 1.163 1.043) 1.644 6.122 ( -0.977 -1.424 1.937) 2.595 6.151 ( 0.153 3.901 -0.940) 4.016 6.228 ( 0.329 -3.025 -1.871) 3.572 6.243 ( -1.971 1.992 4.728) 5.496 6.287 ( -1.584 -1.882 3.872) 4.587 6.414 ( 0.663 1.281 -1.874) 2.364 6.446 ( 0.839 -1.697 -2.154) 2.867 8.181 ( -0.074 0.725 0.390) 0.826 8.195 ( -0.123 -0.516 0.239) 0.582 8.205 ( 0.143 0.384 -0.417) 0.585 8.215 ( 0.064 -0.422 -0.283) 0.512 ======================= Grid point 49 (27/42) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.505 1.574 -1.017) 1.941 0.649 ( -0.070 -1.438 -1.468) 2.056 0.703 ( 2.206 2.821 -3.268) 4.847 0.761 ( 0.920 -2.698 -4.216) 5.089 0.866 ( -2.603 7.093 5.808) 9.530 0.919 ( 3.268 4.261 2.685) 6.004 0.934 ( 4.258 3.848 2.750) 6.364 1.001 ( -2.067 0.101 0.122) 2.073 1.021 ( 2.446 1.748 -0.553) 3.057 1.078 ( 0.928 -5.058 4.494) 6.830 1.099 ( -0.070 -0.974 -1.083) 1.459 1.131 ( 1.320 0.171 0.598) 1.459 1.138 ( -1.262 -0.231 1.819) 2.226 1.185 ( 1.188 0.343 -0.310) 1.275 1.196 ( -1.102 -1.075 -0.014) 1.540 1.242 ( 1.355 -4.391 0.786) 4.662 1.289 ( -0.827 -0.007 1.322) 1.560 1.304 ( 0.003 1.579 0.415) 1.632 1.307 ( -0.897 -1.477 0.568) 1.819 1.348 ( -0.725 -1.923 -0.113) 2.058 1.369 ( -2.215 0.797 0.790) 2.483 1.392 ( -1.986 -0.938 -1.255) 2.529 1.460 ( -2.476 1.912 -0.448) 3.160 1.500 ( -0.912 -1.398 -0.181) 1.679 1.534 ( -1.558 3.147 0.112) 3.514 1.574 ( 0.512 -0.803 0.545) 1.098 1.583 ( 1.156 2.673 -0.251) 2.923 1.632 ( -0.872 -1.883 -0.012) 2.076 1.678 ( 0.623 2.723 0.535) 2.844 1.707 ( 0.590 0.884 -3.142) 3.317 1.744 ( 1.507 1.622 -2.726) 3.512 1.790 ( 0.599 0.627 -0.026) 0.868 1.821 ( 1.373 -1.177 -0.006) 1.808 1.846 ( 0.624 -3.689 -3.091) 4.853 1.865 ( -0.540 0.807 3.077) 3.227 1.898 ( 0.024 -2.084 2.596) 3.329 1.995 ( 1.921 2.701 -0.743) 3.397 2.039 ( 1.667 -1.250 0.419) 2.125 2.074 ( 1.690 2.276 -0.200) 2.842 2.106 ( 0.728 0.234 -0.779) 1.092 2.157 ( -2.771 1.009 0.199) 2.956 2.161 ( -1.199 0.127 0.251) 1.231 2.195 ( -0.688 2.578 -0.141) 2.672 2.220 ( -0.204 0.208 0.981) 1.023 2.229 ( 1.390 0.312 1.335) 1.953 2.289 ( -1.549 -3.267 -1.723) 4.006 2.441 ( 1.934 0.052 -1.267) 2.313 2.480 ( 0.853 -2.564 -2.586) 3.740 3.332 ( -0.022 2.070 0.351) 2.100 3.356 ( 0.114 0.189 -0.501) 0.547 3.393 ( -0.483 -0.414 1.015) 1.199 3.396 ( -0.723 -0.575 1.200) 1.514 3.628 ( 0.303 2.495 0.267) 2.527 3.670 ( 0.635 -0.278 -0.209) 0.724 3.706 ( 0.115 -0.954 0.300) 1.007 3.718 ( 0.530 -2.111 -0.469) 2.226 3.853 ( -0.518 1.409 0.674) 1.645 3.901 ( 0.109 -3.218 -0.346) 3.239 3.941 ( -0.232 1.653 -0.838) 1.868 3.985 ( 0.002 -1.801 -0.828) 1.982 4.199 ( -0.781 2.230 1.183) 2.643 4.259 ( -0.053 -2.593 -0.398) 2.624 4.309 ( 0.124 -0.419 -2.094) 2.139 4.328 ( 0.367 -1.963 -2.710) 3.366 4.476 ( -0.325 4.026 1.299) 4.243 4.520 ( -0.975 0.858 1.151) 1.736 4.578 ( -0.469 0.275 0.280) 0.611 4.602 ( -0.561 -1.993 0.795) 2.218 4.670 ( -0.466 0.817 0.233) 0.969 4.687 ( 0.464 0.709 -0.975) 1.292 4.799 ( -0.231 1.094 0.522) 1.234 4.859 ( 0.545 -1.973 -1.034) 2.293 5.014 ( -0.654 1.941 1.222) 2.385 5.036 ( -0.615 -1.170 0.937) 1.620 5.256 ( 0.055 0.202 0.801) 0.828 5.291 ( 0.197 -2.881 -0.168) 2.893 5.458 ( -0.749 2.636 2.433) 3.665 5.514 ( -1.275 -2.700 3.556) 4.643 5.683 ( 0.106 1.280 -0.434) 1.355 5.708 ( -0.384 -1.034 0.659) 1.285 5.815 ( 1.748 1.173 -4.500) 4.968 5.836 ( 1.315 -0.672 -3.601) 3.893 5.948 ( 0.236 1.929 0.008) 1.943 5.972 ( 0.475 -0.422 -1.309) 1.455 6.088 ( -0.592 0.986 0.775) 1.387 6.114 ( -1.090 -1.274 1.479) 2.236 6.144 ( 0.161 3.606 -1.190) 3.801 6.218 ( 0.455 -2.744 -2.376) 3.659 6.245 ( -1.709 1.665 4.947) 5.492 6.288 ( -1.471 -1.835 3.994) 4.635 6.413 ( 0.615 1.291 -1.649) 2.183 6.445 ( 0.711 -1.629 -2.139) 2.781 8.182 ( -0.086 0.628 0.324) 0.712 8.194 ( -0.142 -0.472 0.281) 0.567 8.204 ( 0.153 0.449 -0.532) 0.712 8.213 ( 0.030 -0.357 -0.308) 0.472 ======================= Grid point 50 (28/42) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -1.126 1.089 -0.963) 1.838 0.631 ( -0.588 -0.960 -0.813) 1.389 0.700 ( 0.579 0.674 -3.562) 3.671 0.742 ( 0.864 -2.905 -4.077) 5.080 0.862 ( -1.946 5.000 3.916) 6.642 0.951 ( -3.045 -1.493 2.734) 4.356 0.978 ( -2.445 5.233 0.393) 5.789 0.989 ( 2.079 5.101 2.205) 5.933 1.042 ( -2.279 1.232 -0.671) 2.676 1.079 ( 2.090 -1.162 1.616) 2.886 1.135 ( 2.228 0.257 1.377) 2.632 1.151 ( -0.048 -0.429 -0.154) 0.458 1.160 ( -0.504 -0.503 1.743) 1.883 1.199 ( -0.441 -2.713 0.164) 2.753 1.239 ( 1.752 1.029 3.146) 3.745 1.269 ( -0.177 -0.818 2.182) 2.337 1.274 ( -0.395 -0.083 -0.668) 0.780 1.283 ( 0.377 -1.007 1.662) 1.980 1.316 ( 0.421 -0.574 1.372) 1.545 1.338 ( 1.031 -0.584 1.566) 1.964 1.382 ( 2.499 0.534 -0.119) 2.559 1.393 ( 1.583 -0.749 -0.146) 1.757 1.444 ( 1.221 2.666 1.152) 3.150 1.464 ( -3.166 2.434 0.467) 4.021 1.492 ( -0.605 -2.233 -0.180) 2.320 1.564 ( -0.987 -4.141 0.153) 4.260 1.597 ( -0.646 0.769 -1.108) 1.496 1.619 ( -0.679 -0.729 -0.848) 1.309 1.674 ( 1.053 0.815 -2.764) 3.068 1.683 ( -1.234 1.447 -2.164) 2.881 1.732 ( -0.908 1.658 -3.104) 3.634 1.779 ( -1.768 -1.606 -2.828) 3.702 1.810 ( 0.743 1.942 -0.462) 2.130 1.861 ( 0.943 -1.289 -0.049) 1.598 1.896 ( 0.520 0.566 3.288) 3.376 1.930 ( 0.858 -2.240 2.426) 3.411 2.019 ( -1.884 1.354 -1.030) 2.539 2.025 ( -1.035 1.325 -2.543) 3.048 2.070 ( 0.210 2.541 -0.898) 2.703 2.106 ( -0.775 0.393 -0.779) 1.167 2.149 ( 1.600 0.654 1.176) 2.091 2.157 ( 1.625 0.736 1.017) 2.053 2.183 ( -0.115 1.198 -0.172) 1.216 2.215 ( -1.458 -1.028 -1.042) 2.066 2.248 ( -1.185 0.234 2.086) 2.410 2.280 ( 1.450 -2.128 0.526) 2.628 2.454 ( -0.021 -0.827 -1.948) 2.117 2.475 ( 1.317 -1.971 -2.272) 3.284 3.332 ( -0.222 1.907 0.267) 1.938 3.352 ( -0.020 0.295 -0.679) 0.741 3.389 ( -0.537 -0.122 0.849) 1.012 3.394 ( -0.454 -0.650 1.184) 1.425 3.639 ( 0.258 2.262 0.768) 2.403 3.673 ( -0.040 -0.050 -0.652) 0.655 3.710 ( 0.047 -0.629 0.366) 0.729 3.723 ( 0.277 -2.079 -0.339) 2.124 3.849 ( -0.304 1.415 0.677) 1.598 3.902 ( 0.220 -3.534 -0.061) 3.542 3.937 ( 0.492 1.689 -0.946) 1.998 3.976 ( -0.066 -1.470 -1.113) 1.844 4.199 ( -0.239 2.098 1.407) 2.537 4.258 ( 0.155 -2.486 -0.167) 2.496 4.299 ( 0.604 -0.484 -2.273) 2.402 4.318 ( 0.824 -2.097 -2.702) 3.518 4.479 ( -0.244 3.863 1.013) 4.000 4.513 ( -0.534 1.061 0.961) 1.528 4.580 ( 0.352 0.323 0.572) 0.745 4.602 ( -0.216 -1.423 1.121) 1.824 4.668 ( 0.064 1.193 0.366) 1.250 4.694 ( 0.723 0.494 -0.652) 1.091 4.796 ( -0.426 1.115 0.470) 1.283 4.859 ( 0.327 -2.038 -1.267) 2.422 5.014 ( -0.315 1.868 1.593) 2.475 5.034 ( -0.437 -0.653 1.007) 1.277 5.259 ( -0.365 -0.110 0.572) 0.687 5.292 ( 0.135 -2.928 -0.409) 2.960 5.467 ( -0.341 2.317 2.585) 3.488 5.515 ( -1.685 -2.372 3.980) 4.930 5.684 ( 0.205 1.150 -0.083) 1.171 5.707 ( -0.294 -1.046 0.899) 1.410 5.809 ( 1.381 1.101 -4.884) 5.193 5.831 ( 1.062 -0.754 -3.795) 4.012 5.952 ( 0.285 1.830 -0.232) 1.867 5.972 ( 0.532 -0.059 -1.251) 1.361 6.083 ( -0.459 0.866 0.701) 1.205 6.106 ( -0.755 -1.011 1.200) 1.742 6.141 ( 0.495 3.201 -1.202) 3.455 6.213 ( 0.952 -2.836 -2.547) 3.929 6.249 ( -1.804 1.624 5.051) 5.604 6.290 ( -1.496 -1.708 4.069) 4.660 6.413 ( 0.695 1.245 -1.636) 2.170 6.442 ( 0.775 -1.444 -2.219) 2.758 8.182 ( -0.154 0.606 0.282) 0.686 8.194 ( -0.124 -0.484 0.318) 0.592 8.204 ( 0.204 0.465 -0.574) 0.767 8.212 ( 0.088 -0.292 -0.339) 0.456 ======================= Grid point 51 (29/42) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.941 4.906 -1.307) 5.164 0.630 ( 0.946 -0.574 0.382) 1.170 0.660 ( -2.700 1.366 -2.612) 3.997 0.715 ( -0.832 -2.513 -4.352) 5.094 0.841 ( -2.357 5.661 3.925) 7.281 0.934 ( -1.244 1.710 3.993) 4.519 0.950 ( -0.204 0.816 0.313) 0.897 1.013 ( -1.541 0.553 1.138) 1.994 1.029 ( -0.019 2.453 2.136) 3.253 1.067 ( -2.995 -2.631 -0.240) 3.993 1.118 ( -0.475 -0.639 0.513) 0.947 1.133 ( -1.810 -1.819 1.475) 2.960 1.189 ( -1.037 1.097 1.708) 2.280 1.200 ( 0.166 -0.386 -0.125) 0.438 1.245 ( 0.397 0.592 -1.362) 1.537 1.260 ( -1.048 1.137 1.163) 1.935 1.295 ( 1.394 -0.873 2.019) 2.604 1.315 ( 1.528 -2.183 -0.502) 2.712 1.363 ( -0.157 4.057 -0.757) 4.130 1.382 ( 1.327 0.399 -0.352) 1.430 1.387 ( 2.030 1.585 0.938) 2.741 1.433 ( 1.722 1.367 0.102) 2.201 1.445 ( -0.461 -1.403 0.549) 1.576 1.495 ( 0.699 -3.203 0.419) 3.305 1.524 ( 0.358 1.282 2.023) 2.421 1.561 ( -0.835 2.125 -2.246) 3.202 1.575 ( 1.190 -2.613 -0.027) 2.872 1.600 ( -0.617 -0.520 -1.331) 1.557 1.609 ( -0.774 2.255 0.899) 2.548 1.672 ( -1.494 -2.480 -3.538) 4.571 1.693 ( 1.183 1.172 -0.129) 1.670 1.735 ( 0.047 -2.058 -0.880) 2.239 1.793 ( -2.155 2.499 1.132) 3.489 1.856 ( -0.872 -1.963 -0.625) 2.237 1.924 ( 0.178 1.564 0.366) 1.616 1.958 ( -1.083 -1.300 0.146) 1.698 1.972 ( 0.297 0.683 0.847) 1.128 2.016 ( 0.186 -2.666 0.667) 2.755 2.080 ( 0.935 1.442 0.410) 1.767 2.088 ( -0.474 0.401 -1.355) 1.490 2.151 ( -2.369 0.715 -1.777) 3.046 2.170 ( 0.984 -0.740 -0.127) 1.238 2.191 ( 0.396 1.290 0.675) 1.509 2.200 ( -0.185 0.506 0.658) 0.850 2.245 ( -0.473 2.231 1.514) 2.737 2.307 ( 1.056 -3.152 -0.707) 3.398 2.430 ( -0.820 1.316 -1.280) 2.011 2.472 ( -0.024 -2.137 -3.003) 3.685 3.328 ( -0.408 1.791 0.497) 1.902 3.346 ( 0.046 0.262 -0.599) 0.655 3.388 ( -0.262 -0.019 0.881) 0.920 3.395 ( -0.419 -0.823 1.439) 1.709 3.646 ( -0.190 1.485 0.731) 1.666 3.660 ( -0.601 0.873 -0.788) 1.321 3.712 ( -0.120 -0.857 0.063) 0.867 3.724 ( 0.051 -2.082 -0.076) 2.084 3.848 ( -0.361 1.266 0.509) 1.412 3.907 ( 0.392 -3.571 -0.241) 3.601 3.943 ( 0.758 1.107 -0.894) 1.612 3.971 ( 0.482 -0.995 -0.769) 1.346 4.210 ( 0.216 1.908 1.337) 2.339 4.263 ( 0.617 -2.244 -0.266) 2.343 4.299 ( 1.179 -0.417 -2.181) 2.514 4.320 ( 1.404 -2.148 -2.619) 3.667 4.483 ( -0.221 3.881 0.945) 4.001 4.514 ( -0.031 1.271 0.941) 1.581 4.596 ( 0.324 0.257 1.118) 1.192 4.610 ( 0.303 -1.261 0.855) 1.553 4.677 ( 0.660 0.905 -0.225) 1.143 4.702 ( 0.751 0.402 -1.162) 1.441 4.791 ( -0.327 0.940 0.530) 1.128 4.854 ( 0.255 -2.262 -1.357) 2.650 5.028 ( 0.199 1.561 2.164) 2.675 5.032 ( -0.357 -0.097 0.526) 0.643 5.252 ( -0.684 0.024 0.666) 0.955 5.293 ( 0.061 -3.080 0.053) 3.081 5.482 ( -0.065 1.640 1.991) 2.580 5.510 ( -1.688 -1.378 3.536) 4.154 5.689 ( 0.074 0.848 0.347) 0.920 5.708 ( -0.384 -1.026 1.013) 1.492 5.797 ( 1.404 1.195 -5.005) 5.334 5.822 ( 1.120 -1.000 -3.783) 4.070 5.954 ( 0.070 1.845 -0.362) 1.881 5.973 ( 0.486 0.035 -1.183) 1.279 6.082 ( -0.250 0.912 0.825) 1.255 6.105 ( -0.343 -0.934 1.334) 1.664 6.145 ( 0.719 3.027 -1.184) 3.329 6.217 ( 1.355 -2.932 -2.503) 4.086 6.252 ( -1.914 1.563 5.326) 5.871 6.292 ( -1.560 -1.632 4.161) 4.734 6.415 ( 0.822 1.194 -1.837) 2.340 6.442 ( 0.944 -1.339 -2.273) 2.802 8.181 ( -0.201 0.683 0.304) 0.774 8.194 ( -0.094 -0.584 0.332) 0.678 8.203 ( 0.224 0.467 -0.542) 0.749 8.212 ( 0.186 -0.300 -0.329) 0.483 ======================= Grid point 52 (30/42) ======================= q-point: (-0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.107 8.748 -1.143) 8.823 0.580 ( -1.673 6.845 -0.346) 7.055 0.647 ( -1.750 -2.128 -0.506) 2.801 0.679 ( 1.802 0.224 -1.263) 2.212 0.832 ( -1.234 3.219 1.805) 3.892 0.898 ( -2.656 -0.063 -1.312) 2.963 0.970 ( -0.823 -0.612 0.344) 1.082 0.976 ( -0.798 0.412 2.607) 2.758 1.045 ( -1.283 -1.780 2.540) 3.357 1.056 ( 1.058 -0.065 2.235) 2.474 1.114 ( 0.576 1.003 -1.691) 2.049 1.157 ( 1.035 0.184 3.898) 4.037 1.176 ( -0.887 0.899 0.263) 1.290 1.192 ( 1.172 0.269 1.293) 1.765 1.228 ( -0.568 0.307 -2.568) 2.648 1.244 ( -3.047 3.812 -1.975) 5.264 1.289 ( 0.323 -2.338 -2.414) 3.376 1.338 ( -1.890 -4.054 -2.841) 5.299 1.365 ( -0.616 1.304 2.836) 3.182 1.378 ( -1.572 1.065 4.448) 4.836 1.394 ( -0.396 1.758 -2.063) 2.739 1.413 ( -1.587 1.312 -1.238) 2.403 1.452 ( 0.098 0.564 0.620) 0.843 1.492 ( -0.523 -0.982 0.202) 1.131 1.515 ( 2.895 2.009 2.122) 4.113 1.548 ( -0.294 -0.593 -0.112) 0.672 1.566 ( 0.790 0.398 -2.048) 2.230 1.613 ( 0.077 -0.884 1.433) 1.686 1.633 ( 1.376 -2.071 -1.653) 2.986 1.678 ( 1.123 -2.194 0.417) 2.499 1.740 ( 0.915 -0.628 2.200) 2.464 1.751 ( 0.394 -0.884 2.138) 2.347 1.787 ( 1.786 1.969 -0.271) 2.672 1.842 ( 0.122 -2.700 -0.611) 2.771 1.917 ( -0.719 1.864 -1.120) 2.290 1.942 ( 0.352 0.418 -0.289) 0.618 1.975 ( -0.698 -1.660 0.035) 1.801 1.983 ( -2.950 -3.360 -1.971) 4.886 2.067 ( -0.238 1.461 0.169) 1.490 2.075 ( -1.404 0.728 -0.123) 1.587 2.144 ( -0.356 1.940 1.806) 2.675 2.181 ( -0.889 0.486 0.453) 1.110 2.192 ( 1.586 0.336 0.881) 1.845 2.214 ( 0.906 0.891 0.095) 1.274 2.245 ( 0.091 1.724 -0.040) 1.727 2.299 ( -1.177 -3.013 -1.061) 3.405 2.409 ( -0.586 1.842 -0.348) 1.964 2.442 ( -0.111 -1.056 -2.423) 2.646 3.324 ( -0.450 1.858 0.740) 2.050 3.345 ( 0.199 0.087 -0.403) 0.458 3.392 ( -0.205 -0.135 1.123) 1.149 3.399 ( -0.444 -1.014 1.626) 1.967 3.638 ( -0.392 1.393 -0.506) 1.533 3.648 ( -0.486 1.090 0.319) 1.236 3.706 ( -0.247 -1.209 -0.365) 1.287 3.723 ( -0.169 -2.580 -0.026) 2.585 3.844 ( -0.348 1.339 0.602) 1.508 3.911 ( 0.175 -3.598 -0.488) 3.635 3.952 ( 0.728 0.817 -0.609) 1.253 3.980 ( 0.729 -0.962 -0.491) 1.303 4.223 ( 0.004 2.002 0.893) 2.192 4.275 ( 0.711 -2.186 -0.695) 2.401 4.310 ( 1.370 -0.292 -1.860) 2.329 4.331 ( 1.665 -2.094 -2.556) 3.700 4.483 ( -0.570 3.979 1.050) 4.155 4.524 ( 0.190 1.253 0.958) 1.588 4.603 ( -0.393 0.218 1.004) 1.100 4.625 ( 0.260 -2.055 0.681) 2.180 4.689 ( 0.803 0.372 -0.658) 1.103 4.706 ( 0.899 0.297 -2.004) 2.216 4.792 ( -0.011 0.707 0.393) 0.809 4.849 ( 0.317 -2.485 -1.226) 2.789 5.027 ( -0.450 1.405 0.364) 1.520 5.053 ( 0.587 -0.406 1.553) 1.710 5.246 ( -0.637 0.459 1.081) 1.336 5.293 ( -0.314 -3.022 0.442) 3.071 5.491 ( -0.413 1.172 1.164) 1.703 5.507 ( -0.753 -0.628 2.273) 2.476 5.690 ( -0.276 0.690 0.524) 0.909 5.708 ( -0.412 -0.974 1.022) 1.471 5.792 ( 1.946 1.205 -4.674) 5.205 5.819 ( 1.430 -1.111 -3.581) 4.013 5.950 ( -0.146 1.967 -0.271) 1.991 5.973 ( 0.473 -0.268 -1.072) 1.202 6.086 ( -0.144 1.036 1.080) 1.504 6.112 ( -0.208 -1.083 1.829) 2.136 6.149 ( 0.593 3.301 -1.069) 3.520 6.225 ( 1.305 -3.117 -2.186) 4.024 6.255 ( -2.099 1.533 5.311) 5.913 6.292 ( -1.658 -1.616 4.186) 4.784 6.416 ( 0.854 1.173 -2.125) 2.573 6.443 ( 1.012 -1.429 -2.307) 2.896 8.179 ( -0.179 0.773 0.370) 0.876 8.195 ( -0.090 -0.663 0.311) 0.738 8.204 ( 0.219 0.460 -0.455) 0.683 8.214 ( 0.207 -0.385 -0.297) 0.528 ======================= Grid point 65 (31/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -2.239 0.000 -6.953) 7.304 0.472 ( 2.239 0.000 6.953) 7.304 0.635 ( 2.460 0.000 -5.670) 6.181 0.635 ( -2.460 0.000 5.670) 6.181 0.754 ( 0.672 0.000 -4.536) 4.586 0.754 ( -0.672 0.000 4.536) 4.586 0.836 ( 0.928 0.000 -2.818) 2.967 0.836 ( -0.928 0.000 2.818) 2.967 0.932 ( -3.233 0.000 -13.892) 14.263 0.932 ( 3.233 0.000 13.892) 14.263 1.119 ( -1.266 0.000 -2.573) 2.868 1.119 ( 1.266 0.000 2.573) 2.868 1.228 ( 2.751 0.000 -1.026) 2.936 1.228 ( -2.751 0.000 1.026) 2.936 1.275 ( 1.889 0.000 -2.391) 3.047 1.275 ( -1.889 0.000 2.391) 3.047 1.329 ( -4.192 0.000 0.672) 4.246 1.329 ( 4.192 0.000 -0.672) 4.246 1.363 ( -0.581 0.000 -2.577) 2.642 1.363 ( 0.581 0.000 2.577) 2.642 1.416 ( 0.055 0.000 -1.887) 1.888 1.416 ( -0.055 0.000 1.887) 1.888 1.530 ( -3.720 0.000 -2.088) 4.266 1.530 ( 3.720 0.000 2.088) 4.266 1.582 ( -0.638 0.000 -0.500) 0.811 1.582 ( 0.638 0.000 0.500) 0.811 1.641 ( -2.491 0.000 -4.040) 4.746 1.641 ( 2.491 0.000 4.040) 4.746 1.679 ( -0.205 0.000 -1.668) 1.680 1.679 ( 0.205 0.000 1.668) 1.680 1.720 ( 2.427 0.000 -4.079) 4.746 1.720 ( -2.427 0.000 4.079) 4.746 1.771 ( -0.095 0.000 -1.130) 1.134 1.771 ( 0.095 0.000 1.130) 1.134 1.900 ( 0.678 0.000 -2.621) 2.707 1.900 ( -0.678 0.000 2.621) 2.707 1.934 ( -1.184 0.000 -1.887) 2.228 1.934 ( 1.184 0.000 1.887) 2.228 2.095 ( -1.104 0.000 -2.777) 2.989 2.095 ( 1.104 0.000 2.777) 2.989 2.158 ( -2.487 0.000 -1.035) 2.694 2.158 ( 2.487 0.000 1.035) 2.694 2.195 ( 0.023 0.000 -1.364) 1.364 2.195 ( -0.023 0.000 1.364) 1.364 2.314 ( -3.562 0.000 -3.600) 5.064 2.314 ( 3.562 0.000 3.600) 5.064 2.349 ( 4.071 0.000 -6.355) 7.547 2.349 ( -4.071 0.000 6.355) 7.547 3.297 ( 0.680 0.000 -1.389) 1.546 3.297 ( -0.680 0.000 1.389) 1.546 3.440 ( -0.557 0.000 -2.122) 2.194 3.440 ( 0.557 0.000 2.122) 2.194 3.623 ( -0.550 0.000 -0.246) 0.603 3.623 ( 0.550 0.000 0.246) 0.603 3.822 ( 1.447 0.000 -3.661) 3.936 3.822 ( -1.447 0.000 3.661) 3.936 3.860 ( -0.184 0.000 -0.945) 0.963 3.860 ( 0.184 0.000 0.945) 0.963 4.014 ( 1.382 0.000 -5.251) 5.430 4.014 ( -1.382 0.000 5.251) 5.430 4.295 ( 0.743 0.000 -0.981) 1.231 4.295 ( -0.743 0.000 0.981) 1.231 4.327 ( 1.133 0.000 -2.218) 2.490 4.327 ( -1.133 0.000 2.218) 2.490 4.486 ( 1.223 0.000 -1.959) 2.310 4.486 ( -1.223 0.000 1.959) 2.310 4.560 ( -0.178 0.000 -0.122) 0.216 4.560 ( 0.178 0.000 0.122) 0.216 4.710 ( 1.376 0.000 -0.961) 1.679 4.710 ( -1.376 0.000 0.961) 1.679 4.851 ( 0.962 0.000 -1.458) 1.747 4.851 ( -0.962 0.000 1.458) 1.747 5.088 ( 3.792 0.000 -9.889) 10.591 5.088 ( -3.792 0.000 9.889) 10.591 5.276 ( -0.840 0.000 -0.178) 0.859 5.276 ( 0.840 0.000 0.178) 0.859 5.430 ( 1.003 0.000 -2.779) 2.955 5.430 ( -1.003 0.000 2.779) 2.955 5.767 ( 0.281 0.000 -1.218) 1.250 5.767 ( -0.281 0.000 1.218) 1.250 5.785 ( 0.873 0.000 -2.285) 2.446 5.785 ( -0.873 0.000 2.285) 2.446 5.908 ( 1.239 0.000 -2.566) 2.850 5.908 ( -1.239 0.000 2.566) 2.850 6.097 ( 1.107 0.000 -0.650) 1.283 6.097 ( -1.107 0.000 0.650) 1.283 6.192 ( 0.064 0.000 -2.069) 2.070 6.192 ( -0.064 0.000 2.069) 2.070 6.327 ( 1.362 0.000 -2.533) 2.876 6.327 ( -1.362 0.000 2.533) 2.876 6.410 ( 1.755 0.000 -4.099) 4.459 6.410 ( -1.755 0.000 4.099) 4.459 8.173 ( 0.245 0.000 -0.808) 0.844 8.173 ( -0.245 0.000 0.808) 0.844 8.222 ( 0.241 0.000 -0.162) 0.290 8.222 ( -0.241 0.000 0.162) 0.290 ======================= Grid point 67 (32/42) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 4.149 0.000 -9.331) 10.212 0.618 ( 7.254 0.000 -7.069) 10.129 0.621 ( -0.352 0.000 5.162) 5.173 0.646 ( 3.286 0.000 2.985) 4.439 0.759 ( 2.796 0.000 -3.287) 4.316 0.793 ( 0.519 0.000 1.089) 1.206 0.823 ( -0.972 0.000 4.536) 4.639 0.842 ( 1.276 0.000 -0.196) 1.291 0.917 ( 7.674 0.000 -7.030) 10.408 1.073 ( -1.015 0.000 3.004) 3.171 1.084 ( -0.621 0.000 -0.034) 0.622 1.157 ( -0.199 0.000 2.452) 2.460 1.215 ( 1.778 0.000 3.784) 4.181 1.227 ( -2.471 0.000 2.168) 3.287 1.254 ( 2.034 0.000 -2.329) 3.092 1.287 ( 1.343 0.000 -3.914) 4.138 1.314 ( 0.118 0.000 1.389) 1.394 1.314 ( -2.377 0.000 -1.997) 3.105 1.382 ( -1.027 0.000 1.739) 2.019 1.398 ( 1.277 0.000 -4.062) 4.258 1.408 ( -2.696 0.000 -1.988) 3.350 1.410 ( 2.016 0.000 0.752) 2.152 1.454 ( -2.485 0.000 2.789) 3.735 1.481 ( -2.822 0.000 -0.065) 2.822 1.540 ( -2.302 0.000 -0.428) 2.342 1.586 ( 0.122 0.000 1.573) 1.577 1.613 ( -3.888 0.000 -2.570) 4.661 1.633 ( -0.161 0.000 -3.146) 3.150 1.652 ( -2.236 0.000 4.042) 4.619 1.702 ( -1.315 0.000 1.605) 2.075 1.731 ( 0.943 0.000 4.428) 4.527 1.764 ( 4.822 0.000 -3.335) 5.863 1.781 ( 0.384 0.000 2.123) 2.157 1.789 ( 0.319 0.000 1.029) 1.077 1.879 ( -0.772 0.000 -3.677) 3.757 1.894 ( -0.535 0.000 -0.266) 0.598 1.931 ( 1.071 0.000 2.193) 2.441 1.967 ( 0.547 0.000 1.368) 1.474 2.094 ( 1.236 0.000 0.194) 1.252 2.127 ( 0.061 0.000 1.316) 1.317 2.131 ( 2.343 0.000 -2.753) 3.615 2.179 ( -2.872 0.000 0.715) 2.960 2.187 ( 0.348 0.000 -0.529) 0.633 2.196 ( -0.881 0.000 0.212) 0.906 2.234 ( -0.854 0.000 -4.725) 4.802 2.324 ( -2.275 0.000 6.275) 6.674 2.383 ( 4.358 0.000 -5.179) 6.769 2.412 ( 4.674 0.000 -1.527) 4.917 3.295 ( -0.566 0.000 1.313) 1.430 3.301 ( 0.767 0.000 -1.439) 1.630 3.417 ( -0.317 0.000 -1.350) 1.387 3.462 ( -0.509 0.000 2.290) 2.346 3.601 ( -1.193 0.000 -0.097) 1.197 3.624 ( -0.094 0.000 -0.598) 0.605 3.815 ( -2.217 0.000 4.007) 4.579 3.818 ( 0.525 0.000 -2.360) 2.418 3.851 ( -0.130 0.000 -0.604) 0.618 3.871 ( 0.042 0.000 1.004) 1.005 3.994 ( 0.895 0.000 -4.952) 5.032 4.011 ( -2.947 0.000 5.124) 5.912 4.284 ( -1.041 0.000 0.831) 1.332 4.295 ( 0.163 0.000 -1.561) 1.570 4.323 ( -0.936 0.000 2.238) 2.426 4.331 ( 0.900 0.000 -1.938) 2.137 4.473 ( -1.408 0.000 1.803) 2.288 4.489 ( 0.597 0.000 -1.844) 1.938 4.549 ( -0.609 0.000 -0.230) 0.651 4.559 ( -0.659 0.000 1.026) 1.220 4.684 ( -1.665 0.000 0.779) 1.838 4.713 ( -0.695 0.000 -0.471) 0.839 4.842 ( -1.172 0.000 1.882) 2.217 4.852 ( 0.408 0.000 -1.989) 2.031 5.077 ( -3.788 0.000 7.556) 8.452 5.079 ( 3.246 0.000 -9.647) 10.179 5.280 ( 0.440 0.000 2.040) 2.087 5.301 ( 1.367 0.000 -0.177) 1.378 5.426 ( 1.109 0.000 -3.369) 3.547 5.428 ( -1.437 0.000 3.025) 3.348 5.763 ( 0.210 0.000 -0.816) 0.842 5.767 ( -0.417 0.000 0.454) 0.616 5.786 ( 0.957 0.000 -1.989) 2.207 5.789 ( -0.810 0.000 3.012) 3.119 5.904 ( -1.135 0.000 2.586) 2.825 5.911 ( 1.025 0.000 -2.653) 2.844 6.078 ( -1.433 0.000 1.398) 2.002 6.103 ( -0.163 0.000 -0.499) 0.525 6.182 ( 0.558 0.000 -2.129) 2.200 6.203 ( -0.876 0.000 2.421) 2.575 6.323 ( -1.099 0.000 2.583) 2.807 6.335 ( 1.318 0.000 -2.566) 2.885 6.405 ( -1.790 0.000 3.863) 4.258 6.409 ( 1.443 0.000 -4.363) 4.595 8.172 ( 0.315 0.000 -0.797) 0.857 8.175 ( -0.191 0.000 0.729) 0.753 8.216 ( -0.390 0.000 0.162) 0.423 8.222 ( -0.045 0.000 -0.260) 0.263 ======================= Grid point 68 (33/42) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 9.130 0.000 -0.849) 9.170 0.653 ( 3.038 0.000 -4.332) 5.291 0.685 ( 1.590 0.000 3.407) 3.760 0.710 ( 2.463 0.000 -5.615) 6.132 0.780 ( -1.248 0.000 0.852) 1.511 0.836 ( 6.430 0.000 -2.352) 6.847 0.889 ( 2.734 0.000 2.849) 3.948 0.895 ( 1.567 0.000 3.984) 4.281 0.964 ( 0.566 0.000 -1.443) 1.550 0.990 ( -6.252 0.000 -1.081) 6.345 1.109 ( 0.385 0.000 1.781) 1.823 1.163 ( 0.656 0.000 -0.046) 0.658 1.185 ( -1.136 0.000 0.542) 1.258 1.250 ( 0.180 0.000 -3.285) 3.290 1.282 ( -0.691 0.000 -0.410) 0.804 1.285 ( -3.518 0.000 0.268) 3.528 1.301 ( 2.535 0.000 -0.285) 2.551 1.318 ( 3.868 0.000 -2.220) 4.460 1.338 ( -2.327 0.000 3.602) 4.289 1.359 ( 0.072 0.000 -4.135) 4.135 1.377 ( -0.084 0.000 1.486) 1.488 1.444 ( -1.205 0.000 1.896) 2.246 1.453 ( 1.998 0.000 -2.611) 3.288 1.486 ( -2.037 0.000 -1.704) 2.656 1.498 ( -4.040 0.000 -1.072) 4.180 1.521 ( 1.144 0.000 5.624) 5.739 1.589 ( 1.170 0.000 -1.718) 2.079 1.606 ( -0.147 0.000 -2.182) 2.187 1.659 ( -1.306 0.000 5.526) 5.679 1.704 ( 1.120 0.000 -1.036) 1.526 1.762 ( -2.908 0.000 -2.592) 3.896 1.764 ( -1.156 0.000 2.577) 2.825 1.813 ( 1.769 0.000 -1.522) 2.334 1.832 ( 2.775 0.000 2.343) 3.632 1.855 ( 2.068 0.000 -1.355) 2.473 1.887 ( 0.097 0.000 -0.360) 0.373 1.965 ( -0.992 0.000 0.642) 1.182 1.993 ( 1.446 0.000 3.233) 3.542 2.071 ( -5.594 0.000 1.552) 5.805 2.096 ( 0.271 0.000 -2.027) 2.045 2.130 ( -0.279 0.000 0.445) 0.525 2.160 ( -2.671 0.000 0.380) 2.698 2.168 ( 0.075 0.000 -0.285) 0.295 2.198 ( 0.440 0.000 -2.925) 2.958 2.228 ( 3.352 0.000 -1.090) 3.525 2.339 ( -2.386 0.000 5.688) 6.168 2.448 ( 3.483 0.000 0.236) 3.491 2.466 ( 3.704 0.000 -4.812) 6.072 3.295 ( -0.387 0.000 1.249) 1.307 3.303 ( 0.542 0.000 -1.451) 1.549 3.406 ( 0.119 0.000 -0.915) 0.922 3.446 ( -2.175 0.000 1.204) 2.486 3.589 ( -0.072 0.000 0.744) 0.747 3.617 ( -0.015 0.000 -1.065) 1.065 3.800 ( -1.703 0.000 2.630) 3.133 3.807 ( 0.025 0.000 -1.780) 1.780 3.848 ( 0.405 0.000 -0.358) 0.541 3.873 ( -0.537 0.000 0.634) 0.831 3.979 ( 1.497 0.000 -4.832) 5.059 3.989 ( -2.833 0.000 4.842) 5.610 4.271 ( -0.856 0.000 1.041) 1.348 4.280 ( -0.078 0.000 -1.917) 1.918 4.325 ( -0.588 0.000 2.047) 2.129 4.332 ( 0.656 0.000 -1.762) 1.880 4.464 ( -0.697 0.000 1.468) 1.625 4.481 ( 0.088 0.000 -1.732) 1.735 4.539 ( 0.187 0.000 -1.062) 1.078 4.551 ( -1.119 0.000 1.679) 2.018 4.661 ( -0.833 0.000 -0.133) 0.843 4.682 ( -1.824 0.000 0.097) 1.827 4.837 ( -1.024 0.000 2.372) 2.583 4.843 ( 0.692 0.000 -2.688) 2.775 5.068 ( -2.857 0.000 6.955) 7.519 5.071 ( 3.044 0.000 -8.469) 8.999 5.307 ( -0.058 0.000 3.070) 3.071 5.320 ( 1.039 0.000 -1.408) 1.749 5.424 ( 1.544 0.000 -3.984) 4.273 5.424 ( -1.582 0.000 3.874) 4.185 5.762 ( -0.052 0.000 -0.079) 0.095 5.763 ( 0.105 0.000 -0.120) 0.159 5.792 ( 1.235 0.000 -2.297) 2.608 5.796 ( -0.865 0.000 2.952) 3.076 5.904 ( -0.967 0.000 2.659) 2.830 5.909 ( 0.961 0.000 -2.780) 2.942 6.066 ( -0.817 0.000 1.558) 1.759 6.087 ( -0.508 0.000 -1.251) 1.350 6.180 ( 0.962 0.000 -2.282) 2.476 6.196 ( -1.489 0.000 2.285) 2.727 6.323 ( -0.909 0.000 2.749) 2.896 6.336 ( 0.865 0.000 -2.825) 2.955 6.400 ( -1.699 0.000 3.743) 4.110 6.402 ( 1.300 0.000 -4.266) 4.459 8.173 ( 0.356 0.000 -0.704) 0.789 8.176 ( -0.237 0.000 0.623) 0.667 8.211 ( -0.248 0.000 0.267) 0.365 8.217 ( -0.180 0.000 -0.357) 0.400 ======================= Grid point 69 (34/42) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.382 0.000 -3.050) 3.073 0.660 ( 0.382 0.000 3.050) 3.073 0.714 ( 2.593 0.000 -5.696) 6.259 0.714 ( -2.593 0.000 5.696) 6.259 0.830 ( -8.230 0.000 1.753) 8.414 0.830 ( 8.230 0.000 -1.753) 8.414 0.919 ( 0.439 0.000 -1.987) 2.035 0.919 ( -0.439 0.000 1.987) 2.035 0.949 ( 4.922 0.000 -4.142) 6.433 0.949 ( -4.922 0.000 4.142) 6.433 1.145 ( -2.868 0.000 -2.277) 3.662 1.145 ( 2.868 0.000 2.277) 3.662 1.220 ( -3.290 0.000 -0.887) 3.407 1.220 ( 3.290 0.000 0.887) 3.407 1.246 ( 0.615 0.000 -4.810) 4.849 1.246 ( -0.615 0.000 4.810) 4.849 1.307 ( 0.303 0.000 -2.448) 2.466 1.307 ( -0.303 0.000 2.448) 2.466 1.352 ( -2.033 0.000 -2.212) 3.004 1.352 ( 2.033 0.000 2.212) 3.004 1.419 ( 0.605 0.000 -3.540) 3.591 1.419 ( -0.605 0.000 3.540) 3.591 1.432 ( -0.234 0.000 -2.127) 2.140 1.432 ( 0.234 0.000 2.127) 2.140 1.544 ( -2.532 0.000 0.527) 2.586 1.544 ( 2.532 0.000 -0.527) 2.586 1.625 ( 1.179 0.000 -3.089) 3.307 1.625 ( -1.179 0.000 3.089) 3.307 1.645 ( 1.231 0.000 -7.284) 7.387 1.645 ( -1.231 0.000 7.284) 7.387 1.753 ( -1.479 0.000 0.407) 1.534 1.753 ( 1.479 0.000 -0.407) 1.534 1.858 ( -3.653 0.000 0.669) 3.714 1.858 ( 3.653 0.000 -0.669) 3.714 1.872 ( -0.190 0.000 -0.526) 0.559 1.872 ( 0.190 0.000 0.526) 0.559 1.959 ( -0.084 0.000 -0.995) 0.998 1.959 ( 0.084 0.000 0.995) 0.998 2.103 ( 2.393 0.000 -3.012) 3.847 2.103 ( -2.393 0.000 3.012) 3.847 2.133 ( -2.852 0.000 -5.155) 5.891 2.133 ( 2.852 0.000 5.155) 5.891 2.147 ( -1.297 0.000 0.163) 1.307 2.147 ( 1.297 0.000 -0.163) 1.307 2.300 ( 4.227 0.000 -2.286) 4.805 2.300 ( -4.227 0.000 2.286) 4.805 2.489 ( 1.223 0.000 -3.506) 3.714 2.489 ( -1.223 0.000 3.506) 3.714 3.299 ( 0.251 0.000 -1.321) 1.345 3.299 ( -0.251 0.000 1.321) 1.345 3.414 ( 1.443 0.000 -0.733) 1.619 3.414 ( -1.443 0.000 0.733) 1.619 3.603 ( -0.438 0.000 -1.180) 1.259 3.603 ( 0.438 0.000 1.180) 1.259 3.796 ( 0.408 0.000 -1.724) 1.772 3.796 ( -0.408 0.000 1.724) 1.772 3.861 ( -0.876 0.000 0.191) 0.896 3.861 ( 0.876 0.000 -0.191) 0.896 3.978 ( 2.120 0.000 -4.827) 5.272 3.978 ( -2.120 0.000 4.827) 5.272 4.269 ( 0.349 0.000 -1.527) 1.567 4.269 ( -0.349 0.000 1.527) 1.567 4.330 ( 0.504 0.000 -1.849) 1.916 4.330 ( -0.504 0.000 1.849) 1.916 4.469 ( 0.052 0.000 -1.580) 1.581 4.469 ( -0.052 0.000 1.580) 1.581 4.542 ( 1.091 0.000 -1.676) 2.000 4.542 ( -1.091 0.000 1.676) 2.000 4.657 ( 0.826 0.000 -0.632) 1.040 4.657 ( -0.826 0.000 0.632) 1.040 4.838 ( 0.856 0.000 -2.690) 2.823 4.838 ( -0.856 0.000 2.690) 2.823 5.068 ( 2.843 0.000 -7.504) 8.025 5.068 ( -2.843 0.000 7.504) 8.025 5.321 ( 0.663 0.000 -2.489) 2.576 5.321 ( -0.663 0.000 2.489) 2.576 5.424 ( 1.653 0.000 -4.249) 4.559 5.424 ( -1.653 0.000 4.249) 4.559 5.763 ( 0.152 0.000 -0.192) 0.244 5.763 ( -0.152 0.000 0.192) 0.244 5.797 ( 1.207 0.000 -2.660) 2.921 5.797 ( -1.207 0.000 2.660) 2.921 5.906 ( 0.940 0.000 -2.768) 2.924 5.906 ( -0.940 0.000 2.768) 2.924 6.070 ( 0.022 0.000 -1.556) 1.556 6.070 ( -0.022 0.000 1.556) 1.556 6.185 ( 1.318 0.000 -2.262) 2.618 6.185 ( -1.318 0.000 2.262) 2.618 6.329 ( 0.771 0.000 -2.903) 3.004 6.329 ( -0.771 0.000 2.903) 3.004 6.397 ( 1.486 0.000 -3.871) 4.146 6.397 ( -1.486 0.000 3.871) 4.146 8.175 ( 0.327 0.000 -0.607) 0.690 8.175 ( -0.327 0.000 0.607) 0.690 8.211 ( -0.039 0.000 -0.366) 0.368 8.211 ( 0.039 0.000 0.366) 0.368 ======================= Grid point 73 (35/42) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -2.567 4.082 -3.001) 5.679 0.529 ( 2.567 4.082 3.001) 5.679 0.613 ( -2.077 1.056 -5.394) 5.875 0.613 ( 2.077 1.056 5.394) 5.875 0.766 ( -1.134 1.544 -2.874) 3.454 0.766 ( 1.134 1.544 2.874) 3.454 0.857 ( 0.248 2.281 -0.658) 2.387 0.857 ( -0.248 2.281 0.658) 2.387 1.025 ( -0.561 4.006 -5.516) 6.841 1.025 ( 0.561 4.006 5.516) 6.841 1.111 ( 0.158 0.450 -3.213) 3.249 1.111 ( -0.158 0.450 3.213) 3.249 1.223 ( -1.658 -0.923 -0.150) 1.903 1.223 ( 1.658 -0.923 0.150) 1.903 1.283 ( 1.137 0.665 -3.219) 3.479 1.283 ( -1.137 0.665 3.219) 3.479 1.311 ( -1.876 -0.884 -1.507) 2.563 1.311 ( 1.876 -0.884 1.507) 2.563 1.359 ( -0.471 -0.936 -3.315) 3.477 1.359 ( 0.471 -0.936 3.315) 3.477 1.412 ( -0.530 -0.227 -0.343) 0.671 1.412 ( 0.530 -0.227 0.343) 0.671 1.494 ( -0.538 -2.117 -2.785) 3.540 1.494 ( 0.538 -2.117 2.785) 3.540 1.605 ( -0.847 0.831 -0.595) 1.328 1.605 ( 0.847 0.831 0.595) 1.328 1.631 ( -0.977 0.092 -1.919) 2.155 1.631 ( 0.977 0.092 1.919) 2.155 1.668 ( -0.176 -0.972 -1.303) 1.635 1.668 ( 0.176 -0.972 1.303) 1.635 1.726 ( 1.839 0.479 -4.469) 4.856 1.726 ( -1.839 0.479 4.469) 4.856 1.765 ( -0.155 -0.439 -0.733) 0.868 1.765 ( 0.155 -0.439 0.733) 0.868 1.903 ( 0.562 0.373 -1.988) 2.099 1.903 ( -0.562 0.373 1.988) 2.099 1.957 ( -1.807 1.704 -0.825) 2.617 1.957 ( 1.807 1.704 0.825) 2.617 2.094 ( -2.036 -1.265 -1.749) 2.967 2.094 ( 2.036 -1.265 1.749) 2.967 2.152 ( 0.585 0.588 -1.129) 1.401 2.152 ( -0.585 0.588 1.129) 1.401 2.213 ( 1.161 1.342 -1.568) 2.368 2.213 ( -1.161 1.342 1.568) 2.368 2.294 ( -3.814 -1.476 -0.976) 4.205 2.294 ( 3.814 -1.476 0.976) 4.205 2.372 ( 2.540 1.741 -3.856) 4.935 2.372 ( -2.540 1.741 3.856) 4.935 3.312 ( 0.641 1.315 -1.383) 2.013 3.312 ( -0.641 1.315 1.383) 2.013 3.432 ( -0.405 -0.745 -1.454) 1.683 3.432 ( 0.405 -0.745 1.454) 1.683 3.623 ( -0.290 0.213 -0.464) 0.587 3.623 ( 0.290 0.213 0.464) 0.587 3.782 ( 0.499 -3.654 -1.981) 4.186 3.782 ( -0.499 -3.654 1.981) 4.186 3.859 ( 0.537 0.311 -1.171) 1.326 3.859 ( -0.537 0.311 1.171) 1.326 3.996 ( 0.630 -1.200 -2.161) 2.551 3.996 ( -0.630 -1.200 2.161) 2.551 4.278 ( 0.966 -1.708 -2.289) 3.015 4.278 ( -0.966 -1.708 2.289) 3.015 4.320 ( 0.028 -0.537 -0.170) 0.564 4.320 ( -0.028 -0.537 0.170) 0.564 4.471 ( 0.855 0.529 -1.333) 1.669 4.471 ( -0.855 0.529 1.333) 1.669 4.615 ( 0.722 3.015 -1.203) 3.325 4.615 ( -0.722 3.015 1.203) 3.325 4.686 ( 0.960 -1.749 -1.042) 2.251 4.686 ( -0.960 -1.749 1.042) 2.251 4.865 ( -0.382 -0.228 -0.158) 0.472 4.865 ( 0.382 -0.228 0.158) 0.472 5.049 ( 2.040 -2.046 -6.122) 6.769 5.049 ( -2.040 -2.046 6.122) 6.769 5.278 ( 0.617 0.082 -2.269) 2.352 5.278 ( -0.617 0.082 2.269) 2.352 5.464 ( 1.426 2.831 -3.075) 4.416 5.464 ( -1.426 2.831 3.075) 4.416 5.755 ( 0.822 -1.131 -1.238) 1.867 5.755 ( -0.822 -1.131 1.238) 1.867 5.765 ( 2.030 -1.634 -4.680) 5.356 5.765 ( -2.030 -1.634 4.680) 5.356 5.933 ( 1.043 1.796 -2.388) 3.165 5.933 ( -1.043 1.796 2.388) 3.165 6.089 ( 0.370 0.180 -0.669) 0.786 6.089 ( -0.370 0.180 0.669) 0.786 6.201 ( 0.702 0.017 -2.881) 2.965 6.201 ( -0.702 0.017 2.881) 2.965 6.331 ( 1.809 0.461 -3.601) 4.056 6.331 ( -1.809 0.461 3.601) 4.056 6.402 ( 1.748 -0.773 -4.068) 4.495 6.402 ( -1.748 -0.773 4.068) 4.495 8.178 ( 0.238 0.463 -0.757) 0.919 8.178 ( -0.238 0.463 0.757) 0.919 8.218 ( 0.154 -0.370 -0.291) 0.496 8.218 ( -0.154 -0.370 0.291) 0.496 ======================= Grid point 75 (36/42) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 3.510 4.038 -5.592) 7.739 0.539 ( 3.540 -0.349 -8.498) 9.212 0.631 ( 2.986 0.317 1.824) 3.513 0.698 ( 2.672 2.139 -0.160) 3.426 0.761 ( 2.168 1.886 0.511) 2.918 0.824 ( -0.666 2.079 3.262) 3.925 0.859 ( -0.342 3.090 2.254) 3.840 0.880 ( 2.928 4.362 4.291) 6.784 1.032 ( 3.080 5.194 -4.106) 7.302 1.079 ( -1.046 2.385 -1.219) 2.875 1.098 ( 0.965 0.876 2.477) 2.799 1.137 ( 2.114 -2.947 0.838) 3.722 1.182 ( -1.249 -1.440 -0.889) 2.103 1.221 ( -2.550 -0.148 0.329) 2.575 1.263 ( 1.663 -0.712 1.635) 2.439 1.281 ( 0.107 -1.103 -1.215) 1.645 1.297 ( -2.357 -1.155 -1.562) 3.055 1.316 ( -0.840 0.365 0.042) 0.917 1.359 ( 1.216 -0.831 0.034) 1.473 1.378 ( -0.814 -2.328 0.500) 2.517 1.418 ( 1.176 1.059 -0.894) 1.817 1.428 ( 1.597 0.398 0.424) 1.700 1.447 ( -2.273 0.044 1.788) 2.893 1.493 ( -1.900 1.049 -3.118) 3.799 1.547 ( -3.889 -0.157 1.059) 4.034 1.551 ( 0.001 -1.687 -0.368) 1.727 1.595 ( -2.642 -1.113 0.408) 2.895 1.642 ( -0.172 0.265 -2.153) 2.177 1.658 ( 0.015 0.603 -0.826) 1.023 1.699 ( 0.357 -0.188 0.814) 0.909 1.728 ( -1.066 -0.708 3.900) 4.105 1.768 ( 0.094 1.042 0.312) 1.092 1.774 ( 3.071 0.309 -1.108) 3.279 1.822 ( 2.615 0.659 1.607) 3.140 1.869 ( -1.597 0.027 -1.265) 2.038 1.914 ( 0.853 0.025 1.222) 1.491 1.926 ( -0.771 1.686 -0.024) 1.854 1.999 ( 1.540 1.755 1.080) 2.573 2.073 ( 0.708 -1.746 -0.785) 2.041 2.126 ( -0.341 -1.193 -1.345) 1.830 2.154 ( 1.057 1.156 1.422) 2.115 2.162 ( 0.969 0.804 -0.557) 1.377 2.194 ( -1.548 0.389 -0.224) 1.611 2.205 ( -0.936 0.809 -0.647) 1.396 2.228 ( -1.495 -0.297 -2.023) 2.533 2.342 ( -1.914 0.391 4.333) 4.753 2.388 ( 4.761 -0.796 -2.880) 5.621 2.399 ( 2.488 0.833 -2.852) 3.875 3.310 ( -0.387 1.289 0.886) 1.612 3.316 ( 0.599 1.312 -1.142) 1.840 3.414 ( -0.378 -0.330 -1.006) 1.125 3.445 ( -0.442 -1.381 1.296) 1.945 3.607 ( -0.681 0.612 0.169) 0.931 3.634 ( 0.532 0.969 -0.413) 1.180 3.773 ( -0.293 -3.143 -0.273) 3.169 3.784 ( -0.715 -3.459 1.358) 3.784 3.859 ( -0.468 0.304 1.175) 1.301 3.862 ( 0.610 0.050 -1.223) 1.368 3.984 ( -0.104 -0.863 -1.760) 1.963 3.992 ( -1.202 -1.141 1.666) 2.351 4.267 ( -1.002 -1.569 1.162) 2.195 4.283 ( 0.119 -1.565 -0.470) 1.638 4.315 ( -0.238 -0.895 -0.445) 1.028 4.318 ( -0.075 -0.609 -0.471) 0.773 4.464 ( -0.764 0.809 1.384) 1.775 4.475 ( 0.627 0.478 -1.408) 1.614 4.602 ( -1.796 2.793 2.270) 4.022 4.611 ( 0.033 3.116 -1.495) 3.456 4.667 ( -1.344 -0.933 1.104) 1.973 4.689 ( -0.537 -1.949 -0.424) 2.065 4.855 ( -0.453 -0.202 0.307) 0.583 4.872 ( 0.188 0.217 -0.152) 0.325 5.027 ( -0.567 -2.052 -0.506) 2.188 5.059 ( -0.131 -1.491 -0.090) 1.500 5.273 ( 0.284 -0.542 0.221) 0.650 5.300 ( 0.880 -0.212 0.569) 1.069 5.460 ( -1.222 2.784 2.961) 4.244 5.470 ( 1.319 3.337 -2.803) 4.553 5.743 ( -1.109 -1.732 1.550) 2.575 5.756 ( 0.471 -0.779 -1.235) 1.534 5.765 ( -0.713 -1.717 2.260) 2.927 5.774 ( 1.269 -1.413 -2.509) 3.147 5.929 ( -0.957 1.892 1.944) 2.877 5.933 ( 0.752 1.619 -2.280) 2.895 6.081 ( -0.601 0.716 0.427) 1.028 6.091 ( -0.004 -0.075 -0.318) 0.327 6.190 ( 0.498 0.064 -2.761) 2.807 6.202 ( -1.489 -0.533 2.900) 3.304 6.326 ( -1.511 0.472 3.773) 4.091 6.339 ( 1.574 0.406 -3.280) 3.661 6.398 ( -1.650 -0.702 3.717) 4.126 6.402 ( 1.422 -0.664 -4.043) 4.337 8.177 ( 0.225 0.454 -0.581) 0.771 8.180 ( -0.118 0.453 0.516) 0.696 8.213 ( -0.317 -0.284 0.125) 0.444 8.218 ( -0.029 -0.368 -0.216) 0.428 ======================= Grid point 76 (37/42) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 5.965 2.904 -1.753) 6.862 0.596 ( 5.843 -2.683 -3.504) 7.323 0.682 ( 0.410 -1.003 2.352) 2.590 0.702 ( 1.144 -0.629 -4.803) 4.978 0.800 ( 0.331 2.598 -0.068) 2.620 0.862 ( 4.536 2.859 -1.095) 5.472 0.885 ( 0.165 3.204 4.716) 5.704 0.989 ( -2.173 1.859 -2.186) 3.599 1.002 ( 2.182 5.488 4.646) 7.514 1.035 ( -2.005 3.296 -1.802) 4.258 1.098 ( -1.686 -0.377 0.817) 1.911 1.166 ( 1.760 -0.179 -0.151) 1.776 1.175 ( 1.212 -0.414 0.051) 1.282 1.232 ( -1.372 -1.761 -0.252) 2.246 1.246 ( 1.931 -2.485 -0.936) 3.283 1.269 ( 0.019 -0.394 -2.726) 2.755 1.295 ( -2.127 -0.908 3.034) 3.815 1.332 ( -1.541 -0.830 1.847) 2.545 1.347 ( -0.410 0.871 -1.325) 1.638 1.363 ( -2.366 -0.247 -0.389) 2.411 1.387 ( 2.274 1.005 0.825) 2.619 1.431 ( -1.125 -0.043 0.950) 1.474 1.465 ( -0.386 -0.450 -0.514) 0.784 1.497 ( 4.716 2.162 -3.011) 5.998 1.505 ( -3.120 0.904 0.792) 3.344 1.545 ( -0.237 -0.441 4.326) 4.355 1.571 ( 1.002 -0.068 -0.128) 1.012 1.611 ( -0.243 0.342 -1.922) 1.967 1.653 ( -0.394 -1.523 -0.630) 1.694 1.700 ( -1.755 0.280 0.133) 1.782 1.710 ( -0.263 -1.670 0.034) 1.691 1.774 ( -1.471 -1.369 -4.212) 4.667 1.797 ( 0.566 0.476 2.609) 2.712 1.838 ( 2.252 -0.858 -1.813) 3.015 1.886 ( 1.682 2.727 -0.542) 3.250 1.921 ( -0.011 2.283 1.774) 2.891 1.956 ( 0.705 -0.710 1.771) 2.034 2.028 ( -0.389 2.546 1.966) 3.240 2.079 ( -1.543 0.187 1.376) 2.076 2.090 ( -0.548 -0.306 -1.021) 1.199 2.123 ( -1.249 -0.421 -1.555) 2.038 2.160 ( -0.991 1.066 -0.242) 1.476 2.177 ( -1.063 0.011 0.571) 1.207 2.209 ( 0.327 0.519 -2.109) 2.196 2.235 ( 3.246 0.845 0.104) 3.356 2.337 ( -2.404 -0.467 3.945) 4.643 2.432 ( 2.827 -1.503 -2.375) 3.986 2.445 ( 2.805 -1.133 -1.770) 3.505 3.310 ( -0.340 1.283 1.018) 1.672 3.317 ( 0.423 1.209 -1.333) 1.849 3.403 ( 0.096 -0.155 -0.709) 0.732 3.432 ( -1.426 -1.066 0.679) 1.906 3.606 ( 0.249 1.432 0.952) 1.737 3.637 ( 0.145 1.557 -0.969) 1.839 3.767 ( -0.349 -2.473 0.603) 2.569 3.777 ( -0.438 -2.837 0.044) 2.871 3.857 ( -0.331 0.753 0.711) 1.088 3.863 ( 0.176 -0.499 -0.616) 0.812 3.971 ( 0.084 -0.889 -1.313) 1.588 3.979 ( -1.124 -0.695 1.220) 1.799 4.260 ( -0.778 -1.292 1.717) 2.285 4.276 ( -0.050 -1.215 -1.392) 1.848 4.307 ( -0.331 -1.273 0.114) 1.320 4.311 ( -0.049 -1.104 -0.793) 1.360 4.464 ( -0.407 1.020 1.497) 1.856 4.474 ( 0.436 0.471 -1.564) 1.690 4.585 ( -1.446 2.555 2.057) 3.585 4.598 ( -0.225 3.239 -1.443) 3.553 4.652 ( -0.586 -0.179 0.108) 0.622 4.666 ( -1.279 -1.101 0.245) 1.705 4.853 ( -0.138 0.102 0.781) 0.799 4.869 ( -0.018 0.667 -0.907) 1.126 5.023 ( -0.210 -1.883 1.300) 2.298 5.048 ( -0.043 -1.342 -1.787) 2.235 5.287 ( 0.729 -1.428 0.500) 1.679 5.313 ( 0.022 -0.799 0.218) 0.828 5.463 ( -1.263 3.149 3.973) 5.225 5.472 ( 1.504 3.745 -3.798) 5.541 5.741 ( -0.341 -1.662 1.627) 2.351 5.757 ( 0.410 -0.770 -0.944) 1.286 5.768 ( -0.413 -2.009 1.269) 2.412 5.774 ( 0.543 -1.604 -1.926) 2.565 5.927 ( -0.508 1.783 1.266) 2.245 5.930 ( 0.492 1.641 -1.460) 2.251 6.075 ( -0.304 0.940 0.441) 1.082 6.085 ( -0.270 0.265 -0.459) 0.595 6.181 ( 0.705 -0.342 -2.495) 2.615 6.191 ( -1.570 -0.702 2.443) 2.988 6.328 ( -1.325 0.526 3.862) 4.117 6.339 ( 1.154 0.387 -3.534) 3.738 6.394 ( -1.596 -0.530 3.681) 4.047 6.397 ( 1.303 -0.475 -4.093) 4.321 8.178 ( 0.283 0.440 -0.538) 0.751 8.181 ( -0.184 0.432 0.460) 0.658 8.209 ( -0.197 -0.200 0.214) 0.353 8.214 ( -0.141 -0.278 -0.297) 0.430 ======================= Grid point 77 (38/42) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.464 -1.623 -3.221) 4.368 0.641 ( -2.464 -1.623 3.221) 4.368 0.696 ( 1.815 -1.566 -4.674) 5.253 0.696 ( -1.815 -1.566 4.674) 5.253 0.863 ( -2.391 3.435 -3.105) 5.211 0.863 ( 2.391 3.435 3.105) 5.211 0.910 ( 1.613 1.672 -1.928) 3.019 0.910 ( -1.613 1.672 1.928) 3.019 1.033 ( 3.693 4.783 -4.185) 7.351 1.033 ( -3.693 4.783 4.185) 7.351 1.146 ( -3.787 0.843 -2.229) 4.475 1.146 ( 3.787 0.843 2.229) 4.475 1.215 ( -1.917 -0.220 -0.417) 1.974 1.215 ( 1.917 -0.220 0.417) 1.974 1.262 ( -1.186 0.476 -2.285) 2.618 1.262 ( 1.186 0.476 2.285) 2.618 1.272 ( 1.683 -1.661 -3.693) 4.385 1.272 ( -1.683 -1.661 3.693) 4.385 1.338 ( -0.879 -1.681 -1.160) 2.223 1.338 ( 0.879 -1.681 1.160) 2.223 1.425 ( -1.448 -0.348 -1.073) 1.836 1.425 ( 1.448 -0.348 1.073) 1.836 1.457 ( 2.086 1.933 -1.915) 3.428 1.457 ( -2.086 1.933 1.915) 3.428 1.566 ( 0.423 1.008 -2.415) 2.651 1.566 ( -0.423 1.008 2.415) 2.651 1.610 ( 0.497 -2.281 -5.119) 5.627 1.610 ( -0.497 -2.281 5.119) 5.627 1.640 ( 1.853 1.177 -2.354) 3.219 1.640 ( -1.853 1.177 2.354) 3.219 1.730 ( -0.384 -2.008 -1.246) 2.395 1.730 ( 0.384 -2.008 1.246) 2.395 1.835 ( -0.709 -0.439 -2.684) 2.811 1.835 ( 0.709 -0.439 2.684) 2.811 1.910 ( 2.509 2.300 -1.970) 3.933 1.910 ( -2.509 2.300 1.970) 3.933 1.981 ( -1.318 1.127 -1.140) 2.075 1.981 ( 1.318 1.127 1.140) 2.075 2.090 ( 0.280 -0.751 -1.860) 2.025 2.090 ( -0.280 -0.751 1.860) 2.025 2.149 ( -1.515 0.907 -1.130) 2.096 2.149 ( 1.515 0.907 1.130) 2.096 2.162 ( -1.803 1.508 -2.425) 3.377 2.162 ( 1.803 1.508 2.425) 3.377 2.299 ( 1.709 -0.172 -1.795) 2.484 2.299 ( -1.709 -0.172 1.795) 2.484 2.462 ( 1.211 -2.010 -2.075) 3.132 2.462 ( -1.211 -2.010 2.075) 3.132 3.313 ( 0.224 1.198 -1.135) 1.665 3.313 ( -0.224 1.198 1.135) 1.665 3.410 ( 0.629 -0.286 -0.598) 0.914 3.410 ( -0.629 -0.286 0.598) 0.914 3.624 ( -0.417 1.689 -1.295) 2.169 3.624 ( 0.417 1.689 1.295) 2.169 3.769 ( 0.230 -2.341 -1.138) 2.614 3.769 ( -0.230 -2.341 1.138) 2.614 3.860 ( 0.465 0.152 -1.409) 1.491 3.860 ( -0.465 0.152 1.409) 1.491 3.969 ( 0.819 -0.798 -1.661) 2.017 3.969 ( -0.819 -0.798 1.661) 2.017 4.264 ( 0.515 -1.077 -2.338) 2.625 4.264 ( -0.515 -1.077 2.338) 2.625 4.305 ( 0.157 -1.412 -0.736) 1.600 4.305 ( -0.157 -1.412 0.736) 1.600 4.469 ( 0.333 0.728 -1.581) 1.772 4.469 ( -0.333 0.728 1.581) 1.772 4.583 ( 1.093 2.745 -3.358) 4.473 4.583 ( -1.093 2.745 3.358) 4.473 4.650 ( 0.779 -0.071 -1.457) 1.653 4.650 ( -0.779 -0.071 1.457) 1.653 4.860 ( 0.053 0.513 -1.220) 1.324 4.860 ( -0.053 0.513 1.220) 1.324 5.034 ( 1.484 -1.637 -4.608) 5.111 5.034 ( -1.484 -1.637 4.608) 5.111 5.305 ( 0.695 -1.387 -2.283) 2.760 5.305 ( -0.695 -1.387 2.283) 2.760 5.469 ( 1.463 3.617 -4.475) 5.937 5.469 ( -1.463 3.617 4.475) 5.937 5.751 ( -0.009 -1.157 -1.450) 1.855 5.751 ( 0.009 -1.157 1.450) 1.855 5.770 ( 1.681 -2.002 -4.263) 5.001 5.770 ( -1.681 -2.002 4.263) 5.001 5.928 ( 0.557 1.702 -1.614) 2.411 5.928 ( -0.557 1.702 1.614) 2.411 6.077 ( 0.077 0.754 -0.756) 1.071 6.077 ( -0.077 0.754 0.756) 1.071 6.181 ( 1.400 -0.629 -3.011) 3.380 6.181 ( -1.400 -0.629 3.011) 3.380 6.333 ( 1.199 0.472 -3.874) 4.082 6.333 ( -1.199 0.472 3.874) 4.082 6.393 ( 1.418 -0.421 -3.757) 4.038 6.393 ( -1.418 -0.421 3.757) 4.038 8.180 ( 0.301 0.425 -0.605) 0.798 8.180 ( -0.301 0.425 0.605) 0.798 8.210 ( 0.032 -0.193 -0.399) 0.445 8.210 ( -0.032 -0.193 0.399) 0.445 ======================= Grid point 81 (39/42) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.242 3.540 -1.379) 3.807 0.614 ( 0.242 3.540 1.379) 3.807 0.661 ( -1.636 1.236 -3.194) 3.795 0.661 ( 1.636 1.236 3.194) 3.795 0.816 ( -0.937 2.660 -0.988) 2.988 0.816 ( 0.937 2.660 0.988) 2.988 0.942 ( -0.292 5.049 -1.749) 5.351 0.942 ( 0.292 5.049 1.749) 5.351 1.012 ( 0.516 -2.198 -1.012) 2.474 1.012 ( -0.516 -2.198 1.012) 2.474 1.139 ( 1.393 -1.503 -1.683) 2.652 1.139 ( -1.393 -1.503 1.683) 2.652 1.197 ( 0.850 -0.706 -0.736) 1.328 1.197 ( -0.850 -0.706 0.736) 1.328 1.271 ( -2.975 0.070 -1.226) 3.219 1.271 ( 2.975 0.070 1.226) 3.219 1.306 ( 0.019 -0.535 -1.252) 1.362 1.306 ( -0.019 -0.535 1.252) 1.362 1.330 ( -0.851 -1.578 -2.742) 3.276 1.330 ( 0.851 -1.578 2.742) 3.276 1.417 ( 0.493 0.832 -2.019) 2.238 1.417 ( -0.493 0.832 2.019) 2.238 1.466 ( 1.220 -0.733 -2.552) 2.922 1.466 ( -1.220 -0.733 2.552) 2.922 1.609 ( -0.779 -0.792 -0.833) 1.388 1.609 ( 0.779 -0.792 0.833) 1.388 1.631 ( -2.064 0.281 -0.828) 2.242 1.631 ( 2.064 0.281 0.828) 2.242 1.681 ( -2.239 2.403 -0.558) 3.332 1.681 ( 2.239 2.403 0.558) 3.332 1.739 ( 0.325 -1.666 -2.191) 2.771 1.739 ( -0.325 -1.666 2.191) 2.771 1.750 ( 1.171 0.840 -1.685) 2.218 1.750 ( -1.171 0.840 1.685) 2.218 1.922 ( 0.204 1.469 -1.494) 2.105 1.922 ( -0.204 1.469 1.494) 2.105 1.979 ( 1.011 -0.171 -0.737) 1.263 1.979 ( -1.011 -0.171 0.737) 1.263 2.043 ( -0.446 -2.259 -1.877) 2.971 2.043 ( 0.446 -2.259 1.877) 2.971 2.178 ( 0.303 1.032 -0.722) 1.296 2.178 ( -0.303 1.032 0.722) 1.296 2.240 ( -0.249 1.070 -0.305) 1.140 2.240 ( 0.249 1.070 0.305) 1.140 2.264 ( -2.127 -1.178 0.350) 2.457 2.264 ( 2.127 -1.178 -0.350) 2.457 2.404 ( 0.841 0.979 -1.484) 1.966 2.404 ( -0.841 0.979 1.484) 1.966 3.340 ( 0.372 0.962 -0.659) 1.224 3.340 ( -0.372 0.962 0.659) 1.224 3.416 ( -0.171 -0.592 -0.300) 0.686 3.416 ( 0.171 -0.592 0.300) 0.686 3.636 ( -0.781 1.084 -0.051) 1.337 3.636 ( 0.781 1.084 0.051) 1.337 3.704 ( -0.196 -3.070 -0.638) 3.142 3.704 ( 0.196 -3.070 0.638) 3.142 3.878 ( 0.307 1.306 -1.857) 2.291 3.878 ( -0.307 1.306 1.857) 2.291 3.968 ( 0.465 -1.457 -1.092) 1.879 3.968 ( -0.465 -1.457 1.092) 1.879 4.249 ( 0.741 -0.584 -1.660) 1.909 4.249 ( -0.741 -0.584 1.660) 1.909 4.301 ( 0.295 -1.003 -0.630) 1.221 4.301 ( -0.295 -1.003 0.630) 1.221 4.520 ( 0.931 3.575 -2.235) 4.318 4.520 ( -0.931 3.575 2.235) 4.318 4.616 ( 0.266 -2.925 -1.282) 3.204 4.616 ( -0.266 -2.925 1.282) 3.204 4.684 ( 0.027 1.392 -0.261) 1.416 4.684 ( -0.027 1.392 0.261) 1.416 4.819 ( 0.593 -2.638 -1.563) 3.123 4.819 ( -0.593 -2.638 1.563) 3.123 5.043 ( -0.013 0.616 -1.283) 1.424 5.043 ( 0.013 0.616 1.283) 1.424 5.278 ( 0.281 -0.018 -1.346) 1.375 5.278 ( -0.281 -0.018 1.346) 1.375 5.521 ( 1.159 1.959 -1.991) 3.024 5.521 ( -1.159 1.959 1.991) 3.024 5.720 ( 1.487 -1.535 -2.331) 3.162 5.720 ( -1.487 -1.535 2.331) 3.162 5.741 ( 0.596 -0.601 -1.325) 1.572 5.741 ( -0.596 -0.601 1.325) 1.572 5.960 ( 0.298 0.637 -0.842) 1.097 5.960 ( -0.298 0.637 0.842) 1.097 6.121 ( 0.608 2.570 -1.676) 3.128 6.121 ( -0.608 2.570 1.676) 3.128 6.177 ( 1.114 -2.207 -3.077) 3.947 6.177 ( -1.114 -2.207 3.077) 3.947 6.348 ( 1.706 1.044 -3.694) 4.201 6.348 ( -1.706 1.044 3.694) 4.201 6.380 ( 1.545 -1.151 -3.537) 4.028 6.380 ( -1.545 -1.151 3.537) 4.028 8.190 ( 0.201 0.655 -0.589) 0.904 8.190 ( -0.201 0.655 0.589) 0.904 8.207 ( 0.166 -0.604 -0.433) 0.761 8.207 ( -0.166 -0.604 0.433) 0.761 ======================= Grid point 83 (40/42) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.167 4.252 -2.444) 4.907 0.615 ( 1.001 2.479 -2.784) 3.859 0.637 ( 1.106 1.178 -0.875) 1.838 0.697 ( 0.540 -2.044 -1.932) 2.864 0.842 ( 3.495 4.823 1.049) 6.048 0.870 ( 2.824 2.133 0.407) 3.562 0.972 ( 1.640 4.230 0.663) 4.585 0.991 ( 0.160 4.410 2.762) 5.206 1.028 ( 1.020 -1.368 3.501) 3.895 1.080 ( 4.377 0.288 1.331) 4.584 1.114 ( -0.605 0.668 1.987) 2.182 1.136 ( 0.549 -0.474 -3.160) 3.242 1.176 ( -1.735 -3.605 1.960) 4.455 1.201 ( -2.932 0.229 0.741) 3.032 1.233 ( 0.834 -2.596 2.497) 3.697 1.237 ( -2.788 0.103 -1.384) 3.114 1.256 ( -2.096 -2.143 -3.306) 4.463 1.283 ( -0.666 -2.794 -1.227) 3.123 1.353 ( 0.804 1.769 2.463) 3.137 1.379 ( 2.138 0.259 1.595) 2.680 1.424 ( -0.385 -0.298 0.663) 0.822 1.431 ( -0.284 -0.572 2.704) 2.778 1.463 ( 1.235 1.272 -1.924) 2.617 1.489 ( 1.638 -1.017 -2.462) 3.127 1.539 ( -2.512 0.188 -0.281) 2.535 1.553 ( -2.688 -0.405 -1.728) 3.221 1.594 ( -2.015 2.385 -1.127) 3.319 1.647 ( -0.473 -1.630 -2.316) 2.871 1.659 ( -0.627 1.461 -3.688) 4.016 1.687 ( 0.376 -0.884 -0.597) 1.131 1.750 ( -0.829 1.866 4.693) 5.118 1.772 ( 2.468 -0.485 0.192) 2.523 1.776 ( 1.115 0.154 -0.257) 1.154 1.801 ( 1.164 -1.785 0.709) 2.246 1.907 ( 0.690 2.094 -0.518) 2.264 1.914 ( -0.557 0.865 1.897) 2.158 1.959 ( -0.942 0.697 -0.637) 1.334 2.002 ( 2.034 -1.992 -1.104) 3.054 2.049 ( 1.489 0.290 0.522) 1.604 2.077 ( 1.400 -2.237 0.700) 2.730 2.183 ( 0.174 1.285 -0.246) 1.320 2.193 ( 0.452 0.661 -0.054) 0.803 2.208 ( -1.892 0.954 -0.579) 2.197 2.217 ( -0.870 0.222 -0.787) 1.194 2.238 ( -0.892 1.555 -0.071) 1.794 2.295 ( 0.637 -3.408 0.059) 3.468 2.406 ( 0.344 1.418 0.582) 1.571 2.419 ( 1.456 0.351 -1.744) 2.299 3.338 ( -0.159 1.075 0.321) 1.133 3.342 ( 0.383 0.785 -0.811) 1.192 3.408 ( -0.247 -0.014 -0.272) 0.368 3.418 ( -0.166 -0.974 0.167) 1.002 3.628 ( -0.030 1.594 0.319) 1.626 3.654 ( 0.798 0.450 -0.138) 0.927 3.702 ( 0.323 -2.665 -0.123) 2.687 3.714 ( 0.126 -2.752 0.766) 2.859 3.869 ( 0.230 1.602 -1.276) 2.061 3.886 ( -0.231 1.018 1.179) 1.574 3.956 ( -0.869 -1.298 0.203) 1.575 3.967 ( -0.047 -1.552 -0.595) 1.663 4.243 ( -0.944 -0.213 1.500) 1.786 4.251 ( 0.124 -0.888 -0.581) 1.068 4.292 ( -0.683 -0.991 -0.060) 1.205 4.296 ( -0.207 -1.276 -0.756) 1.498 4.515 ( -0.498 3.446 0.711) 3.554 4.522 ( 0.126 3.181 -0.732) 3.267 4.607 ( -0.624 -1.957 0.326) 2.080 4.619 ( -0.464 -2.850 1.101) 3.091 4.676 ( -0.393 1.639 0.047) 1.687 4.684 ( -0.294 1.332 0.348) 1.408 4.813 ( -0.102 -2.126 -0.052) 2.129 4.828 ( 0.515 -3.104 -0.429) 3.175 5.032 ( -0.261 1.519 -0.215) 1.556 5.052 ( -0.207 -0.080 0.889) 0.916 5.270 ( -0.130 0.510 -0.319) 0.615 5.288 ( 0.145 -0.916 0.552) 1.079 5.519 ( -0.787 2.323 2.400) 3.431 5.531 ( 1.292 1.631 -1.956) 2.855 5.708 ( -1.398 -0.785 2.631) 3.082 5.729 ( -0.247 -2.152 1.013) 2.392 5.740 ( 1.084 -0.556 -2.575) 2.848 5.742 ( 0.767 -0.652 -1.890) 2.141 5.959 ( 0.132 0.764 -0.484) 0.914 5.960 ( -0.272 0.739 0.619) 1.002 6.116 ( 0.227 2.446 -1.641) 2.954 6.118 ( -0.831 2.400 1.219) 2.817 6.168 ( 0.074 -2.096 -1.946) 2.861 6.172 ( -1.122 -2.312 1.462) 2.957 6.345 ( -1.625 1.183 4.133) 4.596 6.353 ( 1.348 0.777 -3.083) 3.453 6.378 ( -1.280 -1.002 3.265) 3.648 6.383 ( 1.473 -1.092 -3.611) 4.050 8.189 ( 0.069 0.657 -0.234) 0.701 8.192 ( -0.016 0.627 0.192) 0.656 8.204 ( -0.152 -0.521 -0.013) 0.543 8.207 ( -0.017 -0.615 -0.088) 0.622 ======================= Grid point 84 (41/42) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 2.370 1.937 -2.115) 3.720 0.627 ( 0.732 -0.125 0.003) 0.743 0.655 ( 0.201 -0.653 0.385) 0.784 0.674 ( 0.073 -1.583 -3.468) 3.812 0.903 ( 2.815 6.460 -1.424) 7.189 0.955 ( 3.368 5.406 -0.157) 6.371 0.994 ( -0.873 4.338 1.685) 4.735 1.018 ( 0.695 0.250 -0.173) 0.759 1.042 ( 2.568 -1.391 1.232) 3.170 1.088 ( -0.841 1.317 -2.336) 2.810 1.123 ( -1.652 0.161 1.753) 2.414 1.137 ( -0.066 -1.860 0.469) 1.919 1.169 ( 0.490 -0.668 1.870) 2.046 1.206 ( 0.414 -0.053 1.318) 1.382 1.217 ( 1.761 0.374 2.614) 3.174 1.234 ( 1.579 -1.095 -2.401) 3.075 1.268 ( -0.097 -1.470 -0.632) 1.603 1.288 ( 0.579 -3.264 3.959) 5.164 1.363 ( -2.868 1.480 -1.322) 3.488 1.398 ( -1.462 1.321 2.282) 3.015 1.405 ( -1.716 0.146 2.625) 3.140 1.412 ( -1.729 0.695 0.446) 1.916 1.455 ( -0.498 -0.388 0.138) 0.646 1.493 ( 1.627 -2.157 0.961) 2.868 1.534 ( -1.066 1.210 0.668) 1.746 1.556 ( 2.111 -0.081 -1.759) 2.749 1.573 ( 1.161 0.879 -0.643) 1.592 1.602 ( -0.453 -2.338 -2.617) 3.539 1.624 ( -0.571 1.449 -2.140) 2.647 1.671 ( -0.637 -2.238 -1.699) 2.881 1.730 ( -1.912 1.572 -0.813) 2.605 1.751 ( -1.429 -0.717 -4.148) 4.445 1.810 ( 0.532 0.744 2.826) 2.971 1.825 ( 2.335 -0.457 -0.424) 2.417 1.930 ( 0.387 0.341 0.968) 1.097 1.940 ( 0.346 -0.798 1.359) 1.614 1.960 ( 1.791 3.046 -0.314) 3.548 2.038 ( 0.900 -3.489 -0.378) 3.623 2.072 ( -0.395 2.035 -0.354) 2.103 2.103 ( 1.561 -0.092 0.157) 1.572 2.140 ( -2.005 1.822 -1.580) 3.136 2.168 ( -1.246 -0.774 0.148) 1.474 2.193 ( -0.731 1.709 0.144) 1.864 2.212 ( 0.278 -0.108 -0.845) 0.896 2.255 ( 1.709 1.085 0.810) 2.180 2.298 ( -0.486 -2.899 1.119) 3.145 2.419 ( 0.799 0.575 -0.195) 1.004 2.433 ( 0.834 -0.456 -0.850) 1.275 3.338 ( -0.086 1.060 0.297) 1.104 3.342 ( 0.190 0.785 -0.765) 1.113 3.404 ( -0.007 0.198 -0.252) 0.320 3.412 ( -0.416 -0.722 0.068) 0.836 3.639 ( 0.575 1.695 0.799) 1.961 3.662 ( 0.295 0.449 -0.550) 0.768 3.711 ( 0.492 -2.245 0.014) 2.298 3.719 ( -0.164 -2.204 0.535) 2.274 3.868 ( 0.398 1.511 -0.579) 1.666 3.885 ( -0.512 1.156 0.554) 1.380 3.943 ( -0.604 -1.229 0.603) 1.496 3.958 ( -0.233 -1.581 -0.951) 1.860 4.238 ( -0.965 -0.119 2.072) 2.289 4.246 ( 0.206 -0.756 -1.480) 1.674 4.278 ( -0.610 -1.319 0.160) 1.462 4.284 ( -0.350 -1.623 -0.747) 1.821 4.512 ( -0.477 2.833 0.778) 2.976 4.515 ( -0.054 2.606 -0.925) 2.766 4.600 ( -0.684 -0.752 1.335) 1.678 4.613 ( -0.548 -1.867 0.072) 1.947 4.673 ( 0.187 2.058 -0.063) 2.067 4.681 ( -0.288 1.695 0.536) 1.801 4.814 ( 0.213 -2.197 0.119) 2.210 4.829 ( 0.077 -3.148 -0.687) 3.223 5.031 ( 0.041 1.614 0.494) 1.688 5.049 ( -0.427 0.290 0.084) 0.523 5.269 ( 0.320 0.086 -0.299) 0.447 5.288 ( -0.465 -1.382 0.268) 1.483 5.527 ( -0.463 2.486 2.811) 3.781 5.540 ( 1.213 1.779 -2.416) 3.236 5.708 ( -0.856 -0.685 3.060) 3.251 5.730 ( -0.517 -2.106 1.033) 2.402 5.738 ( 0.812 -0.628 -2.626) 2.820 5.742 ( 0.726 -0.757 -2.151) 2.393 5.959 ( 0.052 0.934 -0.090) 0.940 5.960 ( -0.118 0.860 0.263) 0.907 6.108 ( 0.197 2.102 -1.353) 2.507 6.110 ( -0.738 2.064 0.929) 2.380 6.155 ( 0.012 -2.006 -1.193) 2.334 6.160 ( -0.923 -2.221 0.896) 2.567 6.346 ( -1.409 1.046 3.810) 4.195 6.352 ( 0.982 0.673 -2.943) 3.174 6.379 ( -1.001 -0.754 2.747) 3.020 6.382 ( 1.176 -0.824 -3.184) 3.493 8.190 ( 0.125 0.628 -0.207) 0.673 8.192 ( -0.085 0.624 0.151) 0.647 8.202 ( -0.073 -0.469 0.051) 0.477 8.205 ( -0.087 -0.544 -0.137) 0.567 ======================= Grid point 85 (42/42) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.218 -0.153 -2.450) 2.740 0.619 ( -1.218 -0.153 2.450) 2.740 0.657 ( 0.779 -1.660 -2.833) 3.374 0.657 ( -0.779 -1.660 2.833) 3.374 0.950 ( 1.559 3.722 -2.783) 4.902 0.950 ( -1.559 3.722 2.783) 4.902 0.996 ( 1.078 5.451 -1.983) 5.900 0.996 ( -1.078 5.451 1.983) 5.900 1.093 ( 2.782 0.337 -3.864) 4.773 1.093 ( -2.782 0.337 3.864) 4.773 1.139 ( -1.054 -2.493 -0.591) 2.771 1.139 ( 1.054 -2.493 0.591) 2.771 1.193 ( -0.331 -1.856 -1.168) 2.218 1.193 ( 0.331 -1.856 1.168) 2.218 1.255 ( 1.415 1.518 -1.300) 2.449 1.255 ( -1.415 1.518 1.300) 2.449 1.290 ( -1.873 -1.006 0.308) 2.148 1.290 ( 1.873 -1.006 -0.308) 2.148 1.332 ( -2.978 3.921 -1.725) 5.217 1.332 ( 2.978 3.921 1.725) 5.217 1.406 ( -1.048 -1.691 -0.824) 2.153 1.406 ( 1.048 -1.691 0.824) 2.153 1.480 ( -2.464 0.561 -0.298) 2.545 1.480 ( 2.464 0.561 0.298) 2.545 1.541 ( 0.102 -3.025 -3.936) 4.965 1.541 ( -0.102 -3.025 3.936) 4.965 1.586 ( 0.290 -0.238 -1.648) 1.690 1.586 ( -0.290 -0.238 1.648) 1.690 1.638 ( -1.270 -0.802 -1.241) 1.948 1.638 ( 1.270 -0.802 1.241) 1.948 1.717 ( 0.439 0.503 -1.584) 1.719 1.717 ( -0.439 0.503 1.584) 1.719 1.843 ( 0.042 0.731 -2.054) 2.180 1.843 ( -0.042 0.731 2.054) 2.180 1.945 ( -0.114 0.571 -1.484) 1.594 1.945 ( 0.114 0.571 1.484) 1.594 1.994 ( -2.413 0.594 -0.665) 2.572 1.994 ( 2.413 0.594 0.665) 2.572 2.081 ( -0.596 -0.193 -1.545) 1.667 2.081 ( 0.596 -0.193 1.545) 1.667 2.163 ( 0.441 0.266 -0.334) 0.613 2.163 ( -0.441 0.266 0.334) 0.613 2.189 ( -1.365 0.749 -0.863) 1.780 2.189 ( 1.365 0.749 0.863) 1.780 2.289 ( 0.222 -0.577 -0.741) 0.965 2.289 ( -0.222 -0.576 0.741) 0.965 2.433 ( 0.459 -0.537 -0.817) 1.080 2.433 ( -0.459 -0.537 0.817) 1.080 3.339 ( 0.089 0.954 -0.490) 1.076 3.339 ( -0.089 0.954 0.490) 1.076 3.405 ( 0.158 -0.137 -0.264) 0.336 3.405 ( -0.158 -0.137 0.264) 0.336 3.656 ( -0.281 1.149 -0.890) 1.480 3.656 ( 0.281 1.149 0.890) 1.480 3.718 ( 0.230 -2.065 -0.289) 2.098 3.718 ( -0.230 -2.065 0.289) 2.098 3.876 ( 0.696 1.340 -1.832) 2.375 3.876 ( -0.696 1.340 1.832) 2.375 3.945 ( 0.175 -1.405 -1.492) 2.057 3.945 ( -0.175 -1.405 1.492) 2.057 4.239 ( 0.614 -0.334 -2.230) 2.337 4.239 ( -0.614 -0.334 2.230) 2.337 4.274 ( 0.301 -1.704 -1.070) 2.034 4.274 ( -0.301 -1.704 1.070) 2.034 4.510 ( 0.465 2.412 -1.286) 2.773 4.510 ( -0.465 2.412 1.286) 2.773 4.602 ( 0.074 -0.673 -1.180) 1.360 4.602 ( -0.074 -0.673 1.180) 1.360 4.679 ( 0.358 2.061 -0.682) 2.200 4.679 ( -0.358 2.061 0.682) 2.200 4.822 ( 0.582 -2.751 -1.927) 3.409 4.822 ( -0.582 -2.751 1.927) 3.409 5.039 ( -0.267 1.073 -0.563) 1.241 5.039 ( 0.267 1.073 0.563) 1.241 5.278 ( 0.321 -0.886 -0.951) 1.339 5.278 ( -0.321 -0.886 0.951) 1.339 5.539 ( 0.771 2.259 -2.932) 3.780 5.539 ( -0.771 2.259 2.932) 3.780 5.720 ( 0.647 -1.248 -3.371) 3.653 5.720 ( -0.647 -1.248 3.371) 3.653 5.738 ( 0.640 -0.915 -2.007) 2.297 5.738 ( -0.640 -0.915 2.007) 2.297 5.959 ( 0.195 0.931 -0.497) 1.073 5.959 ( -0.195 0.931 0.497) 1.073 6.105 ( 0.613 1.917 -1.440) 2.475 6.105 ( -0.613 1.917 1.440) 2.475 6.152 ( 1.167 -2.047 -2.879) 3.720 6.152 ( -1.167 -2.047 2.879) 3.720 6.348 ( 1.111 0.798 -3.237) 3.514 6.348 ( -1.111 0.798 3.237) 3.514 6.381 ( 1.052 -0.649 -2.862) 3.117 6.381 ( -1.052 -0.649 2.862) 3.117 8.191 ( 0.242 0.612 -0.571) 0.871 8.191 ( -0.242 0.612 0.571) 0.871 8.203 ( 0.156 -0.470 -0.487) 0.694 8.203 ( -0.156 -0.470 0.487) 0.694 =================== 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 3/11520 10.0 3.955 4.689 4.267 0.000 -0.026 0.000 3/11520 20.0 1.038 1.238 1.155 0.000 -0.024 0.000 3/11520 30.0 0.606 0.715 0.685 0.000 -0.019 0.000 3/11520 40.0 0.437 0.517 0.502 0.000 -0.017 0.000 3/11520 50.0 0.344 0.412 0.402 0.000 -0.016 0.000 3/11520 60.0 0.285 0.345 0.338 0.000 -0.016 0.000 3/11520 70.0 0.244 0.299 0.294 0.000 -0.016 0.000 3/11520 80.0 0.213 0.264 0.260 0.000 -0.016 0.000 3/11520 90.0 0.189 0.237 0.234 0.000 -0.015 0.000 3/11520 100.0 0.170 0.215 0.213 0.000 -0.015 0.000 3/11520 110.0 0.155 0.197 0.196 0.000 -0.014 0.000 3/11520 120.0 0.142 0.181 0.181 0.000 -0.014 0.000 3/11520 130.0 0.131 0.168 0.168 0.000 -0.013 0.000 3/11520 140.0 0.122 0.157 0.157 0.000 -0.013 0.000 3/11520 150.0 0.114 0.147 0.147 0.000 -0.012 0.000 3/11520 160.0 0.107 0.138 0.139 0.000 -0.012 0.000 3/11520 170.0 0.101 0.130 0.131 0.000 -0.011 0.000 3/11520 180.0 0.095 0.124 0.124 0.000 -0.011 0.000 3/11520 190.0 0.090 0.117 0.118 0.000 -0.010 0.000 3/11520 200.0 0.086 0.112 0.112 0.000 -0.010 0.000 3/11520 210.0 0.082 0.107 0.107 0.000 -0.010 0.000 3/11520 220.0 0.078 0.102 0.103 0.000 -0.009 0.000 3/11520 230.0 0.075 0.098 0.098 0.000 -0.009 0.000 3/11520 240.0 0.072 0.094 0.095 0.000 -0.009 0.000 3/11520 250.0 0.069 0.090 0.091 0.000 -0.008 0.000 3/11520 260.0 0.066 0.087 0.088 0.000 -0.008 0.000 3/11520 270.0 0.064 0.083 0.084 0.000 -0.008 0.000 3/11520 280.0 0.061 0.081 0.082 0.000 -0.008 0.000 3/11520 290.0 0.059 0.078 0.079 0.000 -0.007 0.000 3/11520 300.0 0.057 0.075 0.076 0.000 -0.007 0.000 3/11520 310.0 0.055 0.073 0.074 0.000 -0.007 0.000 3/11520 320.0 0.054 0.071 0.072 0.000 -0.007 0.000 3/11520 330.0 0.052 0.069 0.070 0.000 -0.007 0.000 3/11520 340.0 0.051 0.067 0.068 0.000 -0.006 0.000 3/11520 350.0 0.049 0.065 0.066 0.000 -0.006 0.000 3/11520 360.0 0.048 0.063 0.064 0.000 -0.006 0.000 3/11520 370.0 0.047 0.061 0.062 0.000 -0.006 0.000 3/11520 380.0 0.045 0.060 0.061 0.000 -0.006 0.000 3/11520 390.0 0.044 0.058 0.059 0.000 -0.006 0.000 3/11520 400.0 0.043 0.057 0.058 0.000 -0.006 0.000 3/11520 410.0 0.042 0.055 0.056 0.000 -0.005 0.000 3/11520 420.0 0.041 0.054 0.055 0.000 -0.005 0.000 3/11520 430.0 0.040 0.053 0.054 0.000 -0.005 0.000 3/11520 440.0 0.039 0.052 0.052 0.000 -0.005 0.000 3/11520 450.0 0.038 0.051 0.051 0.000 -0.005 0.000 3/11520 460.0 0.037 0.049 0.050 0.000 -0.005 0.000 3/11520 470.0 0.037 0.048 0.049 0.000 -0.005 0.000 3/11520 480.0 0.036 0.047 0.048 0.000 -0.005 0.000 3/11520 490.0 0.035 0.046 0.047 0.000 -0.005 0.000 3/11520 500.0 0.034 0.046 0.046 0.000 -0.005 0.000 3/11520 510.0 0.034 0.045 0.045 0.000 -0.004 0.000 3/11520 520.0 0.033 0.044 0.045 0.000 -0.004 0.000 3/11520 530.0 0.033 0.043 0.044 0.000 -0.004 0.000 3/11520 540.0 0.032 0.042 0.043 0.000 -0.004 0.000 3/11520 550.0 0.031 0.041 0.042 0.000 -0.004 0.000 3/11520 560.0 0.031 0.041 0.041 0.000 -0.004 0.000 3/11520 570.0 0.030 0.040 0.041 0.000 -0.004 0.000 3/11520 580.0 0.030 0.039 0.040 0.000 -0.004 0.000 3/11520 590.0 0.029 0.039 0.039 0.000 -0.004 0.000 3/11520 600.0 0.029 0.038 0.039 0.000 -0.004 0.000 3/11520 610.0 0.028 0.037 0.038 0.000 -0.004 0.000 3/11520 620.0 0.028 0.037 0.037 0.000 -0.004 0.000 3/11520 630.0 0.027 0.036 0.037 0.000 -0.004 0.000 3/11520 640.0 0.027 0.036 0.036 0.000 -0.004 0.000 3/11520 650.0 0.027 0.035 0.036 0.000 -0.004 0.000 3/11520 660.0 0.026 0.035 0.035 0.000 -0.003 0.000 3/11520 670.0 0.026 0.034 0.035 0.000 -0.003 0.000 3/11520 680.0 0.025 0.034 0.034 0.000 -0.003 0.000 3/11520 690.0 0.025 0.033 0.034 0.000 -0.003 0.000 3/11520 700.0 0.025 0.033 0.033 0.000 -0.003 0.000 3/11520 710.0 0.024 0.032 0.033 0.000 -0.003 0.000 3/11520 720.0 0.024 0.032 0.032 0.000 -0.003 0.000 3/11520 730.0 0.024 0.031 0.032 0.000 -0.003 0.000 3/11520 740.0 0.023 0.031 0.031 0.000 -0.003 0.000 3/11520 750.0 0.023 0.030 0.031 0.000 -0.003 0.000 3/11520 760.0 0.023 0.030 0.031 0.000 -0.003 0.000 3/11520 770.0 0.022 0.030 0.030 0.000 -0.003 0.000 3/11520 780.0 0.022 0.029 0.030 0.000 -0.003 0.000 3/11520 790.0 0.022 0.029 0.029 0.000 -0.003 0.000 3/11520 800.0 0.022 0.029 0.029 0.000 -0.003 0.000 3/11520 810.0 0.021 0.028 0.029 0.000 -0.003 0.000 3/11520 820.0 0.021 0.028 0.028 0.000 -0.003 0.000 3/11520 830.0 0.021 0.028 0.028 0.000 -0.003 0.000 3/11520 840.0 0.021 0.027 0.028 0.000 -0.003 0.000 3/11520 850.0 0.020 0.027 0.027 0.000 -0.003 0.000 3/11520 860.0 0.020 0.027 0.027 0.000 -0.003 0.000 3/11520 870.0 0.020 0.026 0.027 0.000 -0.003 0.000 3/11520 880.0 0.020 0.026 0.026 0.000 -0.003 0.000 3/11520 890.0 0.019 0.026 0.026 0.000 -0.003 0.000 3/11520 900.0 0.019 0.025 0.026 0.000 -0.003 0.000 3/11520 910.0 0.019 0.025 0.026 0.000 -0.003 0.000 3/11520 920.0 0.019 0.025 0.025 0.000 -0.003 0.000 3/11520 930.0 0.019 0.025 0.025 0.000 -0.002 0.000 3/11520 940.0 0.018 0.024 0.025 0.000 -0.002 0.000 3/11520 950.0 0.018 0.024 0.025 0.000 -0.002 0.000 3/11520 960.0 0.018 0.024 0.024 0.000 -0.002 0.000 3/11520 970.0 0.018 0.024 0.024 0.000 -0.002 0.000 3/11520 980.0 0.018 0.023 0.024 0.000 -0.002 0.000 3/11520 990.0 0.017 0.023 0.024 0.000 -0.002 0.000 3/11520 1000.0 0.017 0.023 0.023 0.000 -0.002 0.000 3/11520 Thermal conductivity related properties were written into "kappa-m654.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:21:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|