----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.169500840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.804688419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): *1 Na 0.25125075122063 0.00488652578776 0.50281122748413 22.990 *2 Na 0.50000000000000 0.00521498440109 0.75159737072392 22.990 3 Na 0.50000000000000 0.99478501559891 0.25159737072392 22.990 *4 Na 0.00000000000000 0.40525214692281 0.00631998436694 22.990 5 Na 0.25125075122063 0.99511347421224 0.00281122748413 22.990 6 Na 0.74874924877937 0.99511347421224 0.00281122748413 22.990 7 Na 0.00000000000000 0.59474785307719 0.50631998436694 22.990 8 Na 0.74874924877937 0.00488652578776 0.50281122748413 22.990 *9 Ti 0.50000000000000 0.53402227353125 0.99901827821260 47.867 *10 Ti 0.00000000000000 0.97438752260068 0.78531519481635 47.867 11 Ti 0.00000000000000 0.02561247739932 0.28531519481635 47.867 12 Ti 0.50000000000000 0.46597772646875 0.49901827821260 47.867 *13 Si 0.74994615806856 0.50551806651905 0.74948870457194 28.085 14 Si 0.25005384193144 0.49448193348094 0.24948870457194 28.085 15 Si 0.25005384193144 0.50551806651905 0.74948870457194 28.085 16 Si 0.74994615806856 0.49448193348094 0.24948870457194 28.085 *17 O 0.64721275668675 0.64072936378653 0.13381485519490 15.999 *18 O 0.14723869251213 0.24844176074571 0.18338904226620 15.999 *19 O 0.14863147306165 0.74021044160254 0.31579143283729 15.999 *20 O 0.50000000000000 0.82415339624230 0.49819865640443 15.999 *21 O 0.35407671793850 0.64938549081821 0.86456388942188 15.999 22 O 0.35407671793850 0.35061450918179 0.36456388942188 15.999 23 O 0.35278724331326 0.64072936378653 0.13381485519490 15.999 24 O 0.85276130748787 0.24844176074571 0.18338904226620 15.999 25 O 0.64592328206150 0.64938549081821 0.86456388942188 15.999 26 O 0.64592328206150 0.35061450918179 0.36456388942188 15.999 *27 O 0.00000000000000 0.85033204293891 0.94823220192307 15.999 28 O 0.85136852693835 0.25978955839746 0.81579143283729 15.999 29 O 0.64721275668675 0.35927063621347 0.63381485519490 15.999 30 O 0.14863147306165 0.25978955839746 0.81579143283729 15.999 31 O 0.14723869251213 0.75155823925429 0.68338904226620 15.999 32 O 0.85136852693835 0.74021044160254 0.31579143283729 15.999 33 O 0.00000000000000 0.14966795706109 0.44823220192307 15.999 34 O 0.85276130748787 0.75155823925429 0.68338904226620 15.999 35 O 0.50000000000000 0.17584660375770 0.99819865640443 15.999 36 O 0.35278724331326 0.35927063621347 0.63381485519490 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.169500840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.804688419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): *1 Na 0.25125075122063 0.00488652578776 0.50281122748413 22.990 > 1 *2 Na 0.50000000000000 0.00521498440109 0.75159737072392 22.990 > 2 3 Na 0.50000000000000 0.99478501559891 0.25159737072392 22.990 > 3 *4 Na 0.00000000000000 0.40525214692281 0.00631998436694 22.990 > 4 5 Na 0.25125075122063 0.99511347421224 0.00281122748413 22.990 > 5 6 Na 0.74874924877937 0.99511347421224 0.00281122748413 22.990 > 6 7 Na 0.00000000000000 0.59474785307719 0.50631998436694 22.990 > 7 8 Na 0.74874924877937 0.00488652578776 0.50281122748413 22.990 > 8 *9 Ti 0.50000000000000 0.53402227353125 0.99901827821260 47.867 > 9 *10 Ti 0.00000000000000 0.97438752260068 0.78531519481635 47.867 > 10 11 Ti 0.00000000000000 0.02561247739932 0.28531519481635 47.867 > 11 12 Ti 0.50000000000000 0.46597772646875 0.49901827821260 47.867 > 12 *13 Si 0.74994615806856 0.50551806651905 0.74948870457194 28.085 > 13 14 Si 0.25005384193144 0.49448193348094 0.24948870457194 28.085 > 14 15 Si 0.25005384193144 0.50551806651905 0.74948870457194 28.085 > 15 16 Si 0.74994615806856 0.49448193348094 0.24948870457194 28.085 > 16 *17 O 0.64721275668675 0.64072936378653 0.13381485519490 15.999 > 17 *18 O 0.14723869251213 0.24844176074571 0.18338904226620 15.999 > 18 *19 O 0.14863147306165 0.74021044160254 0.31579143283729 15.999 > 19 *20 O 0.50000000000000 0.82415339624230 0.49819865640443 15.999 > 20 *21 O 0.35407671793850 0.64938549081821 0.86456388942188 15.999 > 21 22 O 0.35407671793850 0.35061450918179 0.36456388942188 15.999 > 22 23 O 0.35278724331326 0.64072936378653 0.13381485519490 15.999 > 23 24 O 0.85276130748787 0.24844176074571 0.18338904226620 15.999 > 24 25 O 0.64592328206150 0.64938549081821 0.86456388942188 15.999 > 25 26 O 0.64592328206150 0.35061450918179 0.36456388942188 15.999 > 26 *27 O 0.00000000000000 0.85033204293891 0.94823220192307 15.999 > 27 28 O 0.85136852693835 0.25978955839746 0.81579143283729 15.999 > 28 29 O 0.64721275668675 0.35927063621347 0.63381485519490 15.999 > 29 30 O 0.14863147306165 0.25978955839746 0.81579143283729 15.999 > 30 31 O 0.14723869251213 0.75155823925429 0.68338904226620 15.999 > 31 32 O 0.85136852693835 0.74021044160254 0.31579143283729 15.999 > 32 33 O 0.00000000000000 0.14966795706109 0.44823220192307 15.999 > 33 34 O 0.85276130748787 0.75155823925429 0.68338904226620 15.999 > 34 35 O 0.50000000000000 0.17584660375770 0.99819865640443 15.999 > 35 36 O 0.35278724331326 0.35927063621347 0.63381485519490 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.339001679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609376839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): *1 Na 0.12562537561032 0.00244326289388 0.50281122748413 22.990 > 1 2 Na 0.62562537561032 0.00244326289388 0.50281122748413 22.990 > 1 3 Na 0.12562537561032 0.50244326289388 0.50281122748413 22.990 > 1 4 Na 0.62562537561032 0.50244326289388 0.50281122748413 22.990 > 1 *5 Na 0.25000000000000 0.00260749220054 0.75159737072392 22.990 > 2 6 Na 0.75000000000000 0.00260749220054 0.75159737072392 22.990 > 2 7 Na 0.25000000000000 0.50260749220054 0.75159737072392 22.990 > 2 8 Na 0.75000000000000 0.50260749220054 0.75159737072392 22.990 > 2 9 Na 0.25000000000000 0.49739250779946 0.25159737072392 22.990 > 3 10 Na 0.75000000000000 0.49739250779946 0.25159737072392 22.990 > 3 11 Na 0.25000000000000 0.99739250779946 0.25159737072392 22.990 > 3 12 Na 0.75000000000000 0.99739250779946 0.25159737072392 22.990 > 3 *13 Na 0.00000000000000 0.20262607346141 0.00631998436694 22.990 > 4 14 Na 0.50000000000000 0.20262607346141 0.00631998436694 22.990 > 4 15 Na 0.00000000000000 0.70262607346141 0.00631998436694 22.990 > 4 16 Na 0.50000000000000 0.70262607346141 0.00631998436694 22.990 > 4 17 Na 0.12562537561032 0.49755673710612 0.00281122748413 22.990 > 5 18 Na 0.62562537561032 0.49755673710612 0.00281122748413 22.990 > 5 19 Na 0.12562537561032 0.99755673710612 0.00281122748413 22.990 > 5 20 Na 0.62562537561032 0.99755673710612 0.00281122748413 22.990 > 5 21 Na 0.37437462438968 0.49755673710612 0.00281122748413 22.990 > 6 22 Na 0.87437462438968 0.49755673710612 0.00281122748413 22.990 > 6 23 Na 0.37437462438968 0.99755673710612 0.00281122748413 22.990 > 6 24 Na 0.87437462438968 0.99755673710612 0.00281122748413 22.990 > 6 25 Na 0.00000000000000 0.29737392653859 0.50631998436694 22.990 > 7 26 Na 0.50000000000000 0.29737392653859 0.50631998436694 22.990 > 7 27 Na 0.00000000000000 0.79737392653859 0.50631998436694 22.990 > 7 28 Na 0.50000000000000 0.79737392653859 0.50631998436694 22.990 > 7 29 Na 0.37437462438968 0.00244326289388 0.50281122748413 22.990 > 8 30 Na 0.87437462438968 0.00244326289388 0.50281122748413 22.990 > 8 31 Na 0.37437462438968 0.50244326289388 0.50281122748413 22.990 > 8 32 Na 0.87437462438968 0.50244326289388 0.50281122748413 22.990 > 8 *33 Ti 0.25000000000000 0.26701113676562 0.99901827821260 47.867 > 9 34 Ti 0.75000000000000 0.26701113676562 0.99901827821260 47.867 > 9 35 Ti 0.25000000000000 0.76701113676562 0.99901827821260 47.867 > 9 36 Ti 0.75000000000000 0.76701113676562 0.99901827821260 47.867 > 9 *37 Ti 0.00000000000000 0.48719376130034 0.78531519481635 47.867 > 10 38 Ti 0.50000000000000 0.48719376130034 0.78531519481635 47.867 > 10 39 Ti 0.00000000000000 0.98719376130034 0.78531519481635 47.867 > 10 40 Ti 0.50000000000000 0.98719376130034 0.78531519481635 47.867 > 10 41 Ti 0.00000000000000 0.01280623869966 0.28531519481635 47.867 > 11 42 Ti 0.50000000000000 0.01280623869966 0.28531519481635 47.867 > 11 43 Ti 0.00000000000000 0.51280623869966 0.28531519481635 47.867 > 11 44 Ti 0.50000000000000 0.51280623869966 0.28531519481635 47.867 > 11 45 Ti 0.25000000000000 0.23298886323438 0.49901827821260 47.867 > 12 46 Ti 0.75000000000000 0.23298886323438 0.49901827821260 47.867 > 12 47 Ti 0.25000000000000 0.73298886323438 0.49901827821260 47.867 > 12 48 Ti 0.75000000000000 0.73298886323438 0.49901827821260 47.867 > 12 *49 Si 0.37497307903428 0.25275903325953 0.74948870457194 28.085 > 13 50 Si 0.87497307903428 0.25275903325953 0.74948870457194 28.085 > 13 51 Si 0.37497307903428 0.75275903325953 0.74948870457194 28.085 > 13 52 Si 0.87497307903428 0.75275903325953 0.74948870457194 28.085 > 13 53 Si 0.12502692096572 0.24724096674047 0.24948870457194 28.085 > 14 54 Si 0.62502692096572 0.24724096674047 0.24948870457194 28.085 > 14 55 Si 0.12502692096572 0.74724096674047 0.24948870457194 28.085 > 14 56 Si 0.62502692096572 0.74724096674047 0.24948870457194 28.085 > 14 57 Si 0.12502692096572 0.25275903325953 0.74948870457194 28.085 > 15 58 Si 0.62502692096572 0.25275903325953 0.74948870457194 28.085 > 15 59 Si 0.12502692096572 0.75275903325953 0.74948870457194 28.085 > 15 60 Si 0.62502692096572 0.75275903325953 0.74948870457194 28.085 > 15 61 Si 0.37497307903428 0.24724096674047 0.24948870457194 28.085 > 16 62 Si 0.87497307903428 0.24724096674047 0.24948870457194 28.085 > 16 63 Si 0.37497307903428 0.74724096674047 0.24948870457194 28.085 > 16 64 Si 0.87497307903428 0.74724096674047 0.24948870457194 28.085 > 16 *65 O 0.32360637834337 0.32036468189327 0.13381485519490 15.999 > 17 66 O 0.82360637834337 0.32036468189327 0.13381485519490 15.999 > 17 67 O 0.32360637834337 0.82036468189327 0.13381485519490 15.999 > 17 68 O 0.82360637834337 0.82036468189327 0.13381485519490 15.999 > 17 *69 O 0.07361934625606 0.12422088037285 0.18338904226620 15.999 > 18 70 O 0.57361934625606 0.12422088037285 0.18338904226620 15.999 > 18 71 O 0.07361934625606 0.62422088037285 0.18338904226620 15.999 > 18 72 O 0.57361934625606 0.62422088037285 0.18338904226620 15.999 > 18 *73 O 0.07431573653082 0.37010522080127 0.31579143283729 15.999 > 19 74 O 0.57431573653082 0.37010522080127 0.31579143283729 15.999 > 19 75 O 0.07431573653082 0.87010522080127 0.31579143283729 15.999 > 19 76 O 0.57431573653082 0.87010522080127 0.31579143283729 15.999 > 19 *77 O 0.25000000000000 0.41207669812115 0.49819865640443 15.999 > 20 78 O 0.75000000000000 0.41207669812115 0.49819865640443 15.999 > 20 79 O 0.25000000000000 0.91207669812115 0.49819865640443 15.999 > 20 80 O 0.75000000000000 0.91207669812115 0.49819865640443 15.999 > 20 *81 O 0.17703835896925 0.32469274540910 0.86456388942188 15.999 > 21 82 O 0.67703835896925 0.32469274540910 0.86456388942188 15.999 > 21 83 O 0.17703835896925 0.82469274540910 0.86456388942188 15.999 > 21 84 O 0.67703835896925 0.82469274540910 0.86456388942188 15.999 > 21 85 O 0.17703835896925 0.17530725459090 0.36456388942188 15.999 > 22 86 O 0.67703835896925 0.17530725459090 0.36456388942188 15.999 > 22 87 O 0.17703835896925 0.67530725459090 0.36456388942188 15.999 > 22 88 O 0.67703835896925 0.67530725459090 0.36456388942188 15.999 > 22 89 O 0.17639362165663 0.32036468189327 0.13381485519490 15.999 > 23 90 O 0.67639362165663 0.32036468189327 0.13381485519490 15.999 > 23 91 O 0.17639362165663 0.82036468189327 0.13381485519490 15.999 > 23 92 O 0.67639362165663 0.82036468189327 0.13381485519490 15.999 > 23 93 O 0.42638065374394 0.12422088037285 0.18338904226620 15.999 > 24 94 O 0.92638065374394 0.12422088037285 0.18338904226620 15.999 > 24 95 O 0.42638065374394 0.62422088037285 0.18338904226620 15.999 > 24 96 O 0.92638065374394 0.62422088037285 0.18338904226620 15.999 > 24 97 O 0.32296164103075 0.32469274540910 0.86456388942188 15.999 > 25 98 O 0.82296164103075 0.32469274540910 0.86456388942188 15.999 > 25 99 O 0.32296164103075 0.82469274540910 0.86456388942188 15.999 > 25 100 O 0.82296164103075 0.82469274540910 0.86456388942188 15.999 > 25 101 O 0.32296164103075 0.17530725459090 0.36456388942188 15.999 > 26 102 O 0.82296164103075 0.17530725459090 0.36456388942188 15.999 > 26 103 O 0.32296164103075 0.67530725459090 0.36456388942188 15.999 > 26 104 O 0.82296164103075 0.67530725459090 0.36456388942188 15.999 > 26 *105 O 0.00000000000000 0.42516602146946 0.94823220192307 15.999 > 27 106 O 0.50000000000000 0.42516602146946 0.94823220192307 15.999 > 27 107 O 0.00000000000000 0.92516602146946 0.94823220192307 15.999 > 27 108 O 0.50000000000000 0.92516602146946 0.94823220192307 15.999 > 27 109 O 0.42568426346918 0.12989477919873 0.81579143283729 15.999 > 28 110 O 0.92568426346918 0.12989477919873 0.81579143283729 15.999 > 28 111 O 0.42568426346918 0.62989477919873 0.81579143283729 15.999 > 28 112 O 0.92568426346918 0.62989477919873 0.81579143283729 15.999 > 28 113 O 0.32360637834337 0.17963531810673 0.63381485519490 15.999 > 29 114 O 0.82360637834337 0.17963531810673 0.63381485519490 15.999 > 29 115 O 0.32360637834337 0.67963531810673 0.63381485519490 15.999 > 29 116 O 0.82360637834337 0.67963531810673 0.63381485519490 15.999 > 29 117 O 0.07431573653082 0.12989477919873 0.81579143283729 15.999 > 30 118 O 0.57431573653082 0.12989477919873 0.81579143283729 15.999 > 30 119 O 0.07431573653082 0.62989477919873 0.81579143283729 15.999 > 30 120 O 0.57431573653082 0.62989477919873 0.81579143283729 15.999 > 30 121 O 0.07361934625606 0.37577911962715 0.68338904226620 15.999 > 31 122 O 0.57361934625606 0.37577911962715 0.68338904226620 15.999 > 31 123 O 0.07361934625606 0.87577911962715 0.68338904226620 15.999 > 31 124 O 0.57361934625606 0.87577911962715 0.68338904226620 15.999 > 31 125 O 0.42568426346918 0.37010522080127 0.31579143283729 15.999 > 32 126 O 0.92568426346918 0.37010522080127 0.31579143283729 15.999 > 32 127 O 0.42568426346918 0.87010522080127 0.31579143283729 15.999 > 32 128 O 0.92568426346918 0.87010522080127 0.31579143283729 15.999 > 32 129 O 0.00000000000000 0.07483397853054 0.44823220192307 15.999 > 33 130 O 0.50000000000000 0.07483397853054 0.44823220192307 15.999 > 33 131 O 0.00000000000000 0.57483397853054 0.44823220192307 15.999 > 33 132 O 0.50000000000000 0.57483397853054 0.44823220192307 15.999 > 33 133 O 0.42638065374394 0.37577911962715 0.68338904226620 15.999 > 34 134 O 0.92638065374394 0.37577911962715 0.68338904226620 15.999 > 34 135 O 0.42638065374394 0.87577911962715 0.68338904226620 15.999 > 34 136 O 0.92638065374394 0.87577911962715 0.68338904226620 15.999 > 34 137 O 0.25000000000000 0.08792330187885 0.99819865640443 15.999 > 35 138 O 0.75000000000000 0.08792330187885 0.99819865640443 15.999 > 35 139 O 0.25000000000000 0.58792330187885 0.99819865640443 15.999 > 35 140 O 0.75000000000000 0.58792330187885 0.99819865640443 15.999 > 35 141 O 0.17639362165663 0.17963531810673 0.63381485519490 15.999 > 36 142 O 0.67639362165663 0.17963531810673 0.63381485519490 15.999 > 36 143 O 0.17639362165663 0.67963531810673 0.63381485519490 15.999 > 36 144 O 0.67639362165663 0.67963531810673 0.63381485519490 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4419496 0.0000000 0.0000000 0.0000000 3.2287050 0.0000000 0.0000000 0.0000000 3.2174417 -------------------------- Born effective charges -------------------------- 1 Na 1.0648487 0.0719394 0.0260165 -0.0207035 1.0837102 -0.0332708 0.1282738 -0.0504732 1.0737421 2 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 0.0977750 0.0000000 -0.0791977 1.1050966 3 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 -0.0977750 0.0000000 0.0791977 1.1050966 4 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 0.0348008 0.0000000 -0.0575581 1.2408933 5 Na 1.0648487 -0.0719394 0.0260165 0.0207035 1.0837102 0.0332708 0.1282738 0.0504732 1.0737421 6 Na 1.0648487 0.0719394 -0.0260165 -0.0207035 1.0837102 0.0332708 -0.1282738 0.0504732 1.0737421 7 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 -0.0348008 0.0000000 0.0575581 1.2408933 8 Na 1.0648487 -0.0719394 -0.0260165 0.0207035 1.0837102 -0.0332708 -0.1282738 -0.0504732 1.0737421 9 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 0.0775227 0.0000000 -0.0494778 4.7427599 10 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 0.9960876 0.0000000 0.1781610 2.9412082 11 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 -0.9960876 0.0000000 -0.1781610 2.9412082 12 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 -0.0775227 0.0000000 0.0494778 4.7427599 13 Si 4.0422090 -0.0257595 0.0870564 -0.0466236 3.3039209 -0.6640426 0.0970876 0.8207994 3.2431467 14 Si 4.0422090 -0.0257595 -0.0870564 -0.0466236 3.3039209 0.6640426 -0.0970876 -0.8207994 3.2431467 15 Si 4.0422090 0.0257595 -0.0870564 0.0466236 3.3039209 -0.6640426 -0.0970876 0.8207994 3.2431467 16 Si 4.0422090 0.0257595 0.0870564 0.0466236 3.3039209 0.6640426 0.0970876 -0.8207994 3.2431467 17 O -2.4380216 -0.0644490 -1.1612042 -0.1252170 -1.2796001 -0.1704772 -1.1696379 0.1171276 -2.5238388 18 O -2.3475298 -0.9282204 0.2759795 -0.9528950 -2.1497821 0.1537728 0.2232396 0.2285536 -1.5321058 19 O -2.4869133 1.2743502 0.1736965 1.1930649 -2.5844796 -0.1612774 0.1162684 -0.0537835 -1.1446898 20 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 0.0220546 0.0000000 0.0089166 -0.9986537 21 O -2.4503239 0.0850836 -1.1449804 0.0487249 -1.3062173 0.0762275 -1.1405164 -0.0362178 -2.4525458 22 O -2.4503239 -0.0850836 -1.1449804 -0.0487249 -1.3062173 -0.0762275 -1.1405164 0.0362178 -2.4525458 23 O -2.4380216 0.0644490 1.1612042 0.1252170 -1.2796001 -0.1704772 1.1696379 0.1171276 -2.5238388 24 O -2.3475298 0.9282204 -0.2759795 0.9528950 -2.1497821 0.1537728 -0.2232396 0.2285536 -1.5321058 25 O -2.4503239 -0.0850836 1.1449804 -0.0487249 -1.3062173 0.0762275 1.1405164 -0.0362178 -2.4525458 26 O -2.4503239 0.0850836 1.1449804 0.0487249 -1.3062173 -0.0762275 1.1405164 0.0362178 -2.4525458 27 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 0.5387497 0.0000000 0.4590299 -2.3587219 28 O -2.4869133 1.2743502 -0.1736965 1.1930649 -2.5844796 0.1612774 -0.1162684 0.0537835 -1.1446898 29 O -2.4380216 0.0644490 -1.1612042 0.1252170 -1.2796001 0.1704772 -1.1696379 -0.1171276 -2.5238388 30 O -2.4869133 -1.2743502 0.1736965 -1.1930649 -2.5844796 0.1612774 0.1162684 0.0537835 -1.1446898 31 O -2.3475298 0.9282204 0.2759795 0.9528950 -2.1497821 -0.1537728 0.2232396 -0.2285536 -1.5321058 32 O -2.4869133 -1.2743502 -0.1736965 -1.1930649 -2.5844796 -0.1612774 -0.1162684 -0.0537835 -1.1446898 33 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 -0.5387497 0.0000000 -0.4590299 -2.3587219 34 O -2.3475298 -0.9282204 -0.2759795 -0.9528950 -2.1497821 -0.1537728 -0.2232396 -0.2285536 -1.5321058 35 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 -0.0220546 0.0000000 -0.0089166 -0.9986537 36 O -2.4380216 -0.0644490 1.1612042 -0.1252170 -1.2796001 0.1704772 1.1696379 -0.1171276 -2.5238388 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6084 Number of blocks in projector: 6084 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: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1368 / 1368 (1) 344 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1224 / 1224 (1) 216 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1224 / 1224 (1) 214 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (6084, 6000), data: False |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1224, 1212), data: False |-- (1224, 22), data: (1224, 34) @ (34, 22) |-- (224, 214), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 238), data: True |-- (250, 242), data: True |-- (1224, 1212), data: False |-- (1224, 20), data: (1224, 32) @ (32, 20) |-- (224, 216), data: True |-- (500, 488), data: False |-- (500, 6), data: (500, 18) @ (18, 6) |-- (250, 244), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (1368, 1344), data: False |-- (1368, 48), data: (1368, 72) @ (72, 48) |-- (368, 344), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 226), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 14), data: (500, 38) @ (38, 14) |-- (250, 226), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 1120 - Time: 1.963 Solver_block: 200 / 1120 - Time: 3.653 Solver_block: 300 / 1120 - Time: 4.144 Solver_block: 400 / 1120 - Time: 3.419 Solver_block: 500 / 1120 - Time: 2.704 Solver_block: 600 / 1120 - Time: 2.317 Solver_block: 700 / 1120 - Time: 2.157 Solver_block: 800 / 1120 - Time: 2.813 Solver_block: 900 / 1120 - Time: 1.985 Solver_block: 1000 / 1120 - Time: 2.185 Solver_block: 1100 / 1120 - Time: 2.467 Solver_block: 1120 / 1120 - Time: 0.528 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.285 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6084 Number of blocks in projector: 6084 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: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1368 / 1368 (1) 344 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1224 / 1224 (1) 216 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1224 / 1224 (1) 214 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 756 / 756 (1) 244 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (6084, 6000), data: False |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (756, 744), data: False |-- (756, 12), data: (756, 24) @ (24, 12) |-- (256, 244), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1224, 1212), data: False |-- (1224, 22), data: (1224, 34) @ (34, 22) |-- (224, 214), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 238), data: True |-- (250, 242), data: True |-- (1224, 1212), data: False |-- (1224, 20), data: (1224, 32) @ (32, 20) |-- (224, 216), data: True |-- (500, 488), data: False |-- (500, 6), data: (500, 18) @ (18, 6) |-- (250, 244), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (1368, 1344), data: False |-- (1368, 48), data: (1368, 72) @ (72, 48) |-- (368, 344), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 226), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 14), data: (500, 38) @ (38, 14) |-- (250, 226), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:21:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:21:16]------------------------- 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: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.169500840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.804688419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): 1 Na 0.25125075122063 0.00488652578776 0.50281122748413 22.990 2 Na 0.50000000000000 0.00521498440109 0.75159737072392 22.990 3 Na 0.50000000000000 0.99478501559891 0.25159737072392 22.990 4 Na 0.00000000000000 0.40525214692281 0.00631998436694 22.990 5 Na 0.25125075122063 0.99511347421224 0.00281122748413 22.990 6 Na 0.74874924877937 0.99511347421224 0.00281122748413 22.990 7 Na 0.00000000000000 0.59474785307719 0.50631998436694 22.990 8 Na 0.74874924877937 0.00488652578776 0.50281122748413 22.990 9 Ti 0.50000000000000 0.53402227353125 0.99901827821260 47.867 10 Ti 0.00000000000000 0.97438752260068 0.78531519481635 47.867 11 Ti 0.00000000000000 0.02561247739932 0.28531519481635 47.867 12 Ti 0.50000000000000 0.46597772646875 0.49901827821260 47.867 13 Si 0.74994615806856 0.50551806651905 0.74948870457194 28.085 14 Si 0.25005384193144 0.49448193348094 0.24948870457194 28.085 15 Si 0.25005384193144 0.50551806651905 0.74948870457194 28.085 16 Si 0.74994615806856 0.49448193348094 0.24948870457194 28.085 17 O 0.64721275668675 0.64072936378653 0.13381485519490 15.999 18 O 0.14723869251213 0.24844176074571 0.18338904226620 15.999 19 O 0.14863147306165 0.74021044160254 0.31579143283729 15.999 20 O 0.50000000000000 0.82415339624230 0.49819865640443 15.999 21 O 0.35407671793850 0.64938549081821 0.86456388942188 15.999 22 O 0.35407671793850 0.35061450918179 0.36456388942188 15.999 23 O 0.35278724331326 0.64072936378653 0.13381485519490 15.999 24 O 0.85276130748787 0.24844176074571 0.18338904226620 15.999 25 O 0.64592328206150 0.64938549081821 0.86456388942188 15.999 26 O 0.64592328206150 0.35061450918179 0.36456388942188 15.999 27 O 0.00000000000000 0.85033204293891 0.94823220192307 15.999 28 O 0.85136852693835 0.25978955839746 0.81579143283729 15.999 29 O 0.64721275668675 0.35927063621347 0.63381485519490 15.999 30 O 0.14863147306165 0.25978955839746 0.81579143283729 15.999 31 O 0.14723869251213 0.75155823925429 0.68338904226620 15.999 32 O 0.85136852693835 0.74021044160254 0.31579143283729 15.999 33 O 0.00000000000000 0.14966795706109 0.44823220192307 15.999 34 O 0.85276130748787 0.75155823925429 0.68338904226620 15.999 35 O 0.50000000000000 0.17584660375770 0.99819865640443 15.999 36 O 0.35278724331326 0.35927063621347 0.63381485519490 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.339001679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609376839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): 1 Na 0.12562537561032 0.00244326289388 0.50281122748413 22.990 > 1 2 Na 0.62562537561032 0.00244326289388 0.50281122748413 22.990 > 1 3 Na 0.12562537561032 0.50244326289388 0.50281122748413 22.990 > 1 4 Na 0.62562537561032 0.50244326289388 0.50281122748413 22.990 > 1 5 Na 0.25000000000000 0.00260749220054 0.75159737072392 22.990 > 5 6 Na 0.75000000000000 0.00260749220054 0.75159737072392 22.990 > 5 7 Na 0.25000000000000 0.50260749220054 0.75159737072392 22.990 > 5 8 Na 0.75000000000000 0.50260749220054 0.75159737072392 22.990 > 5 9 Na 0.25000000000000 0.49739250779946 0.25159737072392 22.990 > 9 10 Na 0.75000000000000 0.49739250779946 0.25159737072392 22.990 > 9 11 Na 0.25000000000000 0.99739250779946 0.25159737072392 22.990 > 9 12 Na 0.75000000000000 0.99739250779946 0.25159737072392 22.990 > 9 13 Na 0.00000000000000 0.20262607346141 0.00631998436694 22.990 > 13 14 Na 0.50000000000000 0.20262607346141 0.00631998436694 22.990 > 13 15 Na 0.00000000000000 0.70262607346141 0.00631998436694 22.990 > 13 16 Na 0.50000000000000 0.70262607346141 0.00631998436694 22.990 > 13 17 Na 0.12562537561032 0.49755673710612 0.00281122748413 22.990 > 17 18 Na 0.62562537561032 0.49755673710612 0.00281122748413 22.990 > 17 19 Na 0.12562537561032 0.99755673710612 0.00281122748413 22.990 > 17 20 Na 0.62562537561032 0.99755673710612 0.00281122748413 22.990 > 17 21 Na 0.37437462438968 0.49755673710612 0.00281122748413 22.990 > 21 22 Na 0.87437462438968 0.49755673710612 0.00281122748413 22.990 > 21 23 Na 0.37437462438968 0.99755673710612 0.00281122748413 22.990 > 21 24 Na 0.87437462438968 0.99755673710612 0.00281122748413 22.990 > 21 25 Na 0.00000000000000 0.29737392653859 0.50631998436694 22.990 > 25 26 Na 0.50000000000000 0.29737392653859 0.50631998436694 22.990 > 25 27 Na 0.00000000000000 0.79737392653859 0.50631998436694 22.990 > 25 28 Na 0.50000000000000 0.79737392653859 0.50631998436694 22.990 > 25 29 Na 0.37437462438968 0.00244326289388 0.50281122748413 22.990 > 29 30 Na 0.87437462438968 0.00244326289388 0.50281122748413 22.990 > 29 31 Na 0.37437462438968 0.50244326289388 0.50281122748413 22.990 > 29 32 Na 0.87437462438968 0.50244326289388 0.50281122748413 22.990 > 29 33 Ti 0.25000000000000 0.26701113676562 0.99901827821260 47.867 > 33 34 Ti 0.75000000000000 0.26701113676562 0.99901827821260 47.867 > 33 35 Ti 0.25000000000000 0.76701113676562 0.99901827821260 47.867 > 33 36 Ti 0.75000000000000 0.76701113676562 0.99901827821260 47.867 > 33 37 Ti 0.00000000000000 0.48719376130034 0.78531519481635 47.867 > 37 38 Ti 0.50000000000000 0.48719376130034 0.78531519481635 47.867 > 37 39 Ti 0.00000000000000 0.98719376130034 0.78531519481635 47.867 > 37 40 Ti 0.50000000000000 0.98719376130034 0.78531519481635 47.867 > 37 41 Ti 0.00000000000000 0.01280623869966 0.28531519481635 47.867 > 41 42 Ti 0.50000000000000 0.01280623869966 0.28531519481635 47.867 > 41 43 Ti 0.00000000000000 0.51280623869966 0.28531519481635 47.867 > 41 44 Ti 0.50000000000000 0.51280623869966 0.28531519481635 47.867 > 41 45 Ti 0.25000000000000 0.23298886323438 0.49901827821260 47.867 > 45 46 Ti 0.75000000000000 0.23298886323438 0.49901827821260 47.867 > 45 47 Ti 0.25000000000000 0.73298886323438 0.49901827821260 47.867 > 45 48 Ti 0.75000000000000 0.73298886323438 0.49901827821260 47.867 > 45 49 Si 0.37497307903428 0.25275903325953 0.74948870457194 28.085 > 49 50 Si 0.87497307903428 0.25275903325953 0.74948870457194 28.085 > 49 51 Si 0.37497307903428 0.75275903325953 0.74948870457194 28.085 > 49 52 Si 0.87497307903428 0.75275903325953 0.74948870457194 28.085 > 49 53 Si 0.12502692096572 0.24724096674047 0.24948870457194 28.085 > 53 54 Si 0.62502692096572 0.24724096674047 0.24948870457194 28.085 > 53 55 Si 0.12502692096572 0.74724096674047 0.24948870457194 28.085 > 53 56 Si 0.62502692096572 0.74724096674047 0.24948870457194 28.085 > 53 57 Si 0.12502692096572 0.25275903325953 0.74948870457194 28.085 > 57 58 Si 0.62502692096572 0.25275903325953 0.74948870457194 28.085 > 57 59 Si 0.12502692096572 0.75275903325953 0.74948870457194 28.085 > 57 60 Si 0.62502692096572 0.75275903325953 0.74948870457194 28.085 > 57 61 Si 0.37497307903428 0.24724096674047 0.24948870457194 28.085 > 61 62 Si 0.87497307903428 0.24724096674047 0.24948870457194 28.085 > 61 63 Si 0.37497307903428 0.74724096674047 0.24948870457194 28.085 > 61 64 Si 0.87497307903428 0.74724096674047 0.24948870457194 28.085 > 61 65 O 0.32360637834337 0.32036468189327 0.13381485519490 15.999 > 65 66 O 0.82360637834337 0.32036468189327 0.13381485519490 15.999 > 65 67 O 0.32360637834337 0.82036468189327 0.13381485519490 15.999 > 65 68 O 0.82360637834337 0.82036468189327 0.13381485519490 15.999 > 65 69 O 0.07361934625606 0.12422088037285 0.18338904226620 15.999 > 69 70 O 0.57361934625606 0.12422088037285 0.18338904226620 15.999 > 69 71 O 0.07361934625606 0.62422088037285 0.18338904226620 15.999 > 69 72 O 0.57361934625606 0.62422088037285 0.18338904226620 15.999 > 69 73 O 0.07431573653082 0.37010522080127 0.31579143283729 15.999 > 73 74 O 0.57431573653082 0.37010522080127 0.31579143283729 15.999 > 73 75 O 0.07431573653082 0.87010522080127 0.31579143283729 15.999 > 73 76 O 0.57431573653082 0.87010522080127 0.31579143283729 15.999 > 73 77 O 0.25000000000000 0.41207669812115 0.49819865640443 15.999 > 77 78 O 0.75000000000000 0.41207669812115 0.49819865640443 15.999 > 77 79 O 0.25000000000000 0.91207669812115 0.49819865640443 15.999 > 77 80 O 0.75000000000000 0.91207669812115 0.49819865640443 15.999 > 77 81 O 0.17703835896925 0.32469274540910 0.86456388942188 15.999 > 81 82 O 0.67703835896925 0.32469274540910 0.86456388942188 15.999 > 81 83 O 0.17703835896925 0.82469274540910 0.86456388942188 15.999 > 81 84 O 0.67703835896925 0.82469274540910 0.86456388942188 15.999 > 81 85 O 0.17703835896925 0.17530725459090 0.36456388942188 15.999 > 85 86 O 0.67703835896925 0.17530725459090 0.36456388942188 15.999 > 85 87 O 0.17703835896925 0.67530725459090 0.36456388942188 15.999 > 85 88 O 0.67703835896925 0.67530725459090 0.36456388942188 15.999 > 85 89 O 0.17639362165663 0.32036468189327 0.13381485519490 15.999 > 89 90 O 0.67639362165663 0.32036468189327 0.13381485519490 15.999 > 89 91 O 0.17639362165663 0.82036468189327 0.13381485519490 15.999 > 89 92 O 0.67639362165663 0.82036468189327 0.13381485519490 15.999 > 89 93 O 0.42638065374394 0.12422088037285 0.18338904226620 15.999 > 93 94 O 0.92638065374394 0.12422088037285 0.18338904226620 15.999 > 93 95 O 0.42638065374394 0.62422088037285 0.18338904226620 15.999 > 93 96 O 0.92638065374394 0.62422088037285 0.18338904226620 15.999 > 93 97 O 0.32296164103075 0.32469274540910 0.86456388942188 15.999 > 97 98 O 0.82296164103075 0.32469274540910 0.86456388942188 15.999 > 97 99 O 0.32296164103075 0.82469274540910 0.86456388942188 15.999 > 97 100 O 0.82296164103075 0.82469274540910 0.86456388942188 15.999 > 97 101 O 0.32296164103075 0.17530725459090 0.36456388942188 15.999 > 101 102 O 0.82296164103075 0.17530725459090 0.36456388942188 15.999 > 101 103 O 0.32296164103075 0.67530725459090 0.36456388942188 15.999 > 101 104 O 0.82296164103075 0.67530725459090 0.36456388942188 15.999 > 101 105 O 0.00000000000000 0.42516602146946 0.94823220192307 15.999 > 105 106 O 0.50000000000000 0.42516602146946 0.94823220192307 15.999 > 105 107 O 0.00000000000000 0.92516602146946 0.94823220192307 15.999 > 105 108 O 0.50000000000000 0.92516602146946 0.94823220192307 15.999 > 105 109 O 0.42568426346918 0.12989477919873 0.81579143283729 15.999 > 109 110 O 0.92568426346918 0.12989477919873 0.81579143283729 15.999 > 109 111 O 0.42568426346918 0.62989477919873 0.81579143283729 15.999 > 109 112 O 0.92568426346918 0.62989477919873 0.81579143283729 15.999 > 109 113 O 0.32360637834337 0.17963531810673 0.63381485519490 15.999 > 113 114 O 0.82360637834337 0.17963531810673 0.63381485519490 15.999 > 113 115 O 0.32360637834337 0.67963531810673 0.63381485519490 15.999 > 113 116 O 0.82360637834337 0.67963531810673 0.63381485519490 15.999 > 113 117 O 0.07431573653082 0.12989477919873 0.81579143283729 15.999 > 117 118 O 0.57431573653082 0.12989477919873 0.81579143283729 15.999 > 117 119 O 0.07431573653082 0.62989477919873 0.81579143283729 15.999 > 117 120 O 0.57431573653082 0.62989477919873 0.81579143283729 15.999 > 117 121 O 0.07361934625606 0.37577911962715 0.68338904226620 15.999 > 121 122 O 0.57361934625606 0.37577911962715 0.68338904226620 15.999 > 121 123 O 0.07361934625606 0.87577911962715 0.68338904226620 15.999 > 121 124 O 0.57361934625606 0.87577911962715 0.68338904226620 15.999 > 121 125 O 0.42568426346918 0.37010522080127 0.31579143283729 15.999 > 125 126 O 0.92568426346918 0.37010522080127 0.31579143283729 15.999 > 125 127 O 0.42568426346918 0.87010522080127 0.31579143283729 15.999 > 125 128 O 0.92568426346918 0.87010522080127 0.31579143283729 15.999 > 125 129 O 0.00000000000000 0.07483397853054 0.44823220192307 15.999 > 129 130 O 0.50000000000000 0.07483397853054 0.44823220192307 15.999 > 129 131 O 0.00000000000000 0.57483397853054 0.44823220192307 15.999 > 129 132 O 0.50000000000000 0.57483397853054 0.44823220192307 15.999 > 129 133 O 0.42638065374394 0.37577911962715 0.68338904226620 15.999 > 133 134 O 0.92638065374394 0.37577911962715 0.68338904226620 15.999 > 133 135 O 0.42638065374394 0.87577911962715 0.68338904226620 15.999 > 133 136 O 0.92638065374394 0.87577911962715 0.68338904226620 15.999 > 133 137 O 0.25000000000000 0.08792330187885 0.99819865640443 15.999 > 137 138 O 0.75000000000000 0.08792330187885 0.99819865640443 15.999 > 137 139 O 0.25000000000000 0.58792330187885 0.99819865640443 15.999 > 137 140 O 0.75000000000000 0.58792330187885 0.99819865640443 15.999 > 137 141 O 0.17639362165663 0.17963531810673 0.63381485519490 15.999 > 141 142 O 0.67639362165663 0.17963531810673 0.63381485519490 15.999 > 141 143 O 0.17639362165663 0.67963531810673 0.63381485519490 15.999 > 141 144 O 0.67639362165663 0.67963531810673 0.63381485519490 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4419496 0.0000000 0.0000000 0.0000000 3.2287050 0.0000000 0.0000000 0.0000000 3.2174417 -------------------------- Born effective charges -------------------------- 1 Na 1.0648487 0.0719394 0.0260165 -0.0207035 1.0837102 -0.0332708 0.1282738 -0.0504732 1.0737421 2 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 0.0977750 0.0000000 -0.0791977 1.1050966 3 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 -0.0977750 0.0000000 0.0791977 1.1050966 4 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 0.0348008 0.0000000 -0.0575581 1.2408933 5 Na 1.0648487 -0.0719394 0.0260165 0.0207035 1.0837102 0.0332708 0.1282738 0.0504732 1.0737421 6 Na 1.0648487 0.0719394 -0.0260165 -0.0207035 1.0837102 0.0332708 -0.1282738 0.0504732 1.0737421 7 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 -0.0348008 0.0000000 0.0575581 1.2408933 8 Na 1.0648487 -0.0719394 -0.0260165 0.0207035 1.0837102 -0.0332708 -0.1282738 -0.0504732 1.0737421 9 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 0.0775227 0.0000000 -0.0494778 4.7427599 10 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 0.9960876 0.0000000 0.1781610 2.9412082 11 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 -0.9960876 0.0000000 -0.1781610 2.9412082 12 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 -0.0775227 0.0000000 0.0494778 4.7427599 13 Si 4.0422090 -0.0257595 0.0870564 -0.0466236 3.3039209 -0.6640426 0.0970876 0.8207994 3.2431467 14 Si 4.0422090 -0.0257595 -0.0870564 -0.0466236 3.3039209 0.6640426 -0.0970876 -0.8207994 3.2431467 15 Si 4.0422090 0.0257595 -0.0870564 0.0466236 3.3039209 -0.6640426 -0.0970876 0.8207994 3.2431467 16 Si 4.0422090 0.0257595 0.0870564 0.0466236 3.3039209 0.6640426 0.0970876 -0.8207994 3.2431467 17 O -2.4380216 -0.0644490 -1.1612042 -0.1252170 -1.2796001 -0.1704772 -1.1696379 0.1171276 -2.5238388 18 O -2.3475298 -0.9282204 0.2759795 -0.9528950 -2.1497821 0.1537728 0.2232396 0.2285536 -1.5321058 19 O -2.4869133 1.2743502 0.1736965 1.1930649 -2.5844796 -0.1612774 0.1162684 -0.0537835 -1.1446898 20 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 0.0220546 0.0000000 0.0089166 -0.9986537 21 O -2.4503239 0.0850836 -1.1449804 0.0487249 -1.3062173 0.0762275 -1.1405164 -0.0362178 -2.4525458 22 O -2.4503239 -0.0850836 -1.1449804 -0.0487249 -1.3062173 -0.0762275 -1.1405164 0.0362178 -2.4525458 23 O -2.4380216 0.0644490 1.1612042 0.1252170 -1.2796001 -0.1704772 1.1696379 0.1171276 -2.5238388 24 O -2.3475298 0.9282204 -0.2759795 0.9528950 -2.1497821 0.1537728 -0.2232396 0.2285536 -1.5321058 25 O -2.4503239 -0.0850836 1.1449804 -0.0487249 -1.3062173 0.0762275 1.1405164 -0.0362178 -2.4525458 26 O -2.4503239 0.0850836 1.1449804 0.0487249 -1.3062173 -0.0762275 1.1405164 0.0362178 -2.4525458 27 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 0.5387497 0.0000000 0.4590299 -2.3587219 28 O -2.4869133 1.2743502 -0.1736965 1.1930649 -2.5844796 0.1612774 -0.1162684 0.0537835 -1.1446898 29 O -2.4380216 0.0644490 -1.1612042 0.1252170 -1.2796001 0.1704772 -1.1696379 -0.1171276 -2.5238388 30 O -2.4869133 -1.2743502 0.1736965 -1.1930649 -2.5844796 0.1612774 0.1162684 0.0537835 -1.1446898 31 O -2.3475298 0.9282204 0.2759795 0.9528950 -2.1497821 -0.1537728 0.2232396 -0.2285536 -1.5321058 32 O -2.4869133 -1.2743502 -0.1736965 -1.1930649 -2.5844796 -0.1612774 -0.1162684 -0.0537835 -1.1446898 33 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 -0.5387497 0.0000000 -0.4590299 -2.3587219 34 O -2.3475298 -0.9282204 -0.2759795 -0.9528950 -2.1497821 -0.1537728 -0.2232396 -0.2285536 -1.5321058 35 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 -0.0220546 0.0000000 -0.0089166 -0.9986537 36 O -2.4380216 -0.0644490 1.1612042 -0.1252170 -1.2796001 0.1704772 1.1696379 -0.1171276 -2.5238388 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000134 (yyy) -0.00000134 (yyy) -0.00000134 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) 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 12:22:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:22:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.169500840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.804688419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): 1 Na 0.25125075122063 0.00488652578776 0.50281122748413 22.990 2 Na 0.50000000000000 0.00521498440109 0.75159737072392 22.990 3 Na 0.50000000000000 0.99478501559891 0.25159737072392 22.990 4 Na 0.00000000000000 0.40525214692281 0.00631998436694 22.990 5 Na 0.25125075122063 0.99511347421224 0.00281122748413 22.990 6 Na 0.74874924877937 0.99511347421224 0.00281122748413 22.990 7 Na 0.00000000000000 0.59474785307719 0.50631998436694 22.990 8 Na 0.74874924877937 0.00488652578776 0.50281122748413 22.990 9 Ti 0.50000000000000 0.53402227353125 0.99901827821260 47.867 10 Ti 0.00000000000000 0.97438752260068 0.78531519481635 47.867 11 Ti 0.00000000000000 0.02561247739932 0.28531519481635 47.867 12 Ti 0.50000000000000 0.46597772646875 0.49901827821260 47.867 13 Si 0.74994615806856 0.50551806651905 0.74948870457194 28.085 14 Si 0.25005384193144 0.49448193348094 0.24948870457194 28.085 15 Si 0.25005384193144 0.50551806651905 0.74948870457194 28.085 16 Si 0.74994615806856 0.49448193348094 0.24948870457194 28.085 17 O 0.64721275668675 0.64072936378653 0.13381485519490 15.999 18 O 0.14723869251213 0.24844176074571 0.18338904226620 15.999 19 O 0.14863147306165 0.74021044160254 0.31579143283729 15.999 20 O 0.50000000000000 0.82415339624230 0.49819865640443 15.999 21 O 0.35407671793850 0.64938549081821 0.86456388942188 15.999 22 O 0.35407671793850 0.35061450918179 0.36456388942188 15.999 23 O 0.35278724331326 0.64072936378653 0.13381485519490 15.999 24 O 0.85276130748787 0.24844176074571 0.18338904226620 15.999 25 O 0.64592328206150 0.64938549081821 0.86456388942188 15.999 26 O 0.64592328206150 0.35061450918179 0.36456388942188 15.999 27 O 0.00000000000000 0.85033204293891 0.94823220192307 15.999 28 O 0.85136852693835 0.25978955839746 0.81579143283729 15.999 29 O 0.64721275668675 0.35927063621347 0.63381485519490 15.999 30 O 0.14863147306165 0.25978955839746 0.81579143283729 15.999 31 O 0.14723869251213 0.75155823925429 0.68338904226620 15.999 32 O 0.85136852693835 0.74021044160254 0.31579143283729 15.999 33 O 0.00000000000000 0.14966795706109 0.44823220192307 15.999 34 O 0.85276130748787 0.75155823925429 0.68338904226620 15.999 35 O 0.50000000000000 0.17584660375770 0.99819865640443 15.999 36 O 0.35278724331326 0.35927063621347 0.63381485519490 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.339001679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609376839999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.859360989999999 Atomic positions (fractional): 1 Na 0.12562537561032 0.00244326289388 0.50281122748413 22.990 > 1 2 Na 0.62562537561032 0.00244326289388 0.50281122748413 22.990 > 1 3 Na 0.12562537561032 0.50244326289388 0.50281122748413 22.990 > 1 4 Na 0.62562537561032 0.50244326289388 0.50281122748413 22.990 > 1 5 Na 0.25000000000000 0.00260749220054 0.75159737072392 22.990 > 5 6 Na 0.75000000000000 0.00260749220054 0.75159737072392 22.990 > 5 7 Na 0.25000000000000 0.50260749220054 0.75159737072392 22.990 > 5 8 Na 0.75000000000000 0.50260749220054 0.75159737072392 22.990 > 5 9 Na 0.25000000000000 0.49739250779946 0.25159737072392 22.990 > 9 10 Na 0.75000000000000 0.49739250779946 0.25159737072392 22.990 > 9 11 Na 0.25000000000000 0.99739250779946 0.25159737072392 22.990 > 9 12 Na 0.75000000000000 0.99739250779946 0.25159737072392 22.990 > 9 13 Na 0.00000000000000 0.20262607346141 0.00631998436694 22.990 > 13 14 Na 0.50000000000000 0.20262607346141 0.00631998436694 22.990 > 13 15 Na 0.00000000000000 0.70262607346141 0.00631998436694 22.990 > 13 16 Na 0.50000000000000 0.70262607346141 0.00631998436694 22.990 > 13 17 Na 0.12562537561032 0.49755673710612 0.00281122748413 22.990 > 17 18 Na 0.62562537561032 0.49755673710612 0.00281122748413 22.990 > 17 19 Na 0.12562537561032 0.99755673710612 0.00281122748413 22.990 > 17 20 Na 0.62562537561032 0.99755673710612 0.00281122748413 22.990 > 17 21 Na 0.37437462438968 0.49755673710612 0.00281122748413 22.990 > 21 22 Na 0.87437462438968 0.49755673710612 0.00281122748413 22.990 > 21 23 Na 0.37437462438968 0.99755673710612 0.00281122748413 22.990 > 21 24 Na 0.87437462438968 0.99755673710612 0.00281122748413 22.990 > 21 25 Na 0.00000000000000 0.29737392653859 0.50631998436694 22.990 > 25 26 Na 0.50000000000000 0.29737392653859 0.50631998436694 22.990 > 25 27 Na 0.00000000000000 0.79737392653859 0.50631998436694 22.990 > 25 28 Na 0.50000000000000 0.79737392653859 0.50631998436694 22.990 > 25 29 Na 0.37437462438968 0.00244326289388 0.50281122748413 22.990 > 29 30 Na 0.87437462438968 0.00244326289388 0.50281122748413 22.990 > 29 31 Na 0.37437462438968 0.50244326289388 0.50281122748413 22.990 > 29 32 Na 0.87437462438968 0.50244326289388 0.50281122748413 22.990 > 29 33 Ti 0.25000000000000 0.26701113676562 0.99901827821260 47.867 > 33 34 Ti 0.75000000000000 0.26701113676562 0.99901827821260 47.867 > 33 35 Ti 0.25000000000000 0.76701113676562 0.99901827821260 47.867 > 33 36 Ti 0.75000000000000 0.76701113676562 0.99901827821260 47.867 > 33 37 Ti 0.00000000000000 0.48719376130034 0.78531519481635 47.867 > 37 38 Ti 0.50000000000000 0.48719376130034 0.78531519481635 47.867 > 37 39 Ti 0.00000000000000 0.98719376130034 0.78531519481635 47.867 > 37 40 Ti 0.50000000000000 0.98719376130034 0.78531519481635 47.867 > 37 41 Ti 0.00000000000000 0.01280623869966 0.28531519481635 47.867 > 41 42 Ti 0.50000000000000 0.01280623869966 0.28531519481635 47.867 > 41 43 Ti 0.00000000000000 0.51280623869966 0.28531519481635 47.867 > 41 44 Ti 0.50000000000000 0.51280623869966 0.28531519481635 47.867 > 41 45 Ti 0.25000000000000 0.23298886323438 0.49901827821260 47.867 > 45 46 Ti 0.75000000000000 0.23298886323438 0.49901827821260 47.867 > 45 47 Ti 0.25000000000000 0.73298886323438 0.49901827821260 47.867 > 45 48 Ti 0.75000000000000 0.73298886323438 0.49901827821260 47.867 > 45 49 Si 0.37497307903428 0.25275903325953 0.74948870457194 28.085 > 49 50 Si 0.87497307903428 0.25275903325953 0.74948870457194 28.085 > 49 51 Si 0.37497307903428 0.75275903325953 0.74948870457194 28.085 > 49 52 Si 0.87497307903428 0.75275903325953 0.74948870457194 28.085 > 49 53 Si 0.12502692096572 0.24724096674047 0.24948870457194 28.085 > 53 54 Si 0.62502692096572 0.24724096674047 0.24948870457194 28.085 > 53 55 Si 0.12502692096572 0.74724096674047 0.24948870457194 28.085 > 53 56 Si 0.62502692096572 0.74724096674047 0.24948870457194 28.085 > 53 57 Si 0.12502692096572 0.25275903325953 0.74948870457194 28.085 > 57 58 Si 0.62502692096572 0.25275903325953 0.74948870457194 28.085 > 57 59 Si 0.12502692096572 0.75275903325953 0.74948870457194 28.085 > 57 60 Si 0.62502692096572 0.75275903325953 0.74948870457194 28.085 > 57 61 Si 0.37497307903428 0.24724096674047 0.24948870457194 28.085 > 61 62 Si 0.87497307903428 0.24724096674047 0.24948870457194 28.085 > 61 63 Si 0.37497307903428 0.74724096674047 0.24948870457194 28.085 > 61 64 Si 0.87497307903428 0.74724096674047 0.24948870457194 28.085 > 61 65 O 0.32360637834337 0.32036468189327 0.13381485519490 15.999 > 65 66 O 0.82360637834337 0.32036468189327 0.13381485519490 15.999 > 65 67 O 0.32360637834337 0.82036468189327 0.13381485519490 15.999 > 65 68 O 0.82360637834337 0.82036468189327 0.13381485519490 15.999 > 65 69 O 0.07361934625606 0.12422088037285 0.18338904226620 15.999 > 69 70 O 0.57361934625606 0.12422088037285 0.18338904226620 15.999 > 69 71 O 0.07361934625606 0.62422088037285 0.18338904226620 15.999 > 69 72 O 0.57361934625606 0.62422088037285 0.18338904226620 15.999 > 69 73 O 0.07431573653082 0.37010522080127 0.31579143283729 15.999 > 73 74 O 0.57431573653082 0.37010522080127 0.31579143283729 15.999 > 73 75 O 0.07431573653082 0.87010522080127 0.31579143283729 15.999 > 73 76 O 0.57431573653082 0.87010522080127 0.31579143283729 15.999 > 73 77 O 0.25000000000000 0.41207669812115 0.49819865640443 15.999 > 77 78 O 0.75000000000000 0.41207669812115 0.49819865640443 15.999 > 77 79 O 0.25000000000000 0.91207669812115 0.49819865640443 15.999 > 77 80 O 0.75000000000000 0.91207669812115 0.49819865640443 15.999 > 77 81 O 0.17703835896925 0.32469274540910 0.86456388942188 15.999 > 81 82 O 0.67703835896925 0.32469274540910 0.86456388942188 15.999 > 81 83 O 0.17703835896925 0.82469274540910 0.86456388942188 15.999 > 81 84 O 0.67703835896925 0.82469274540910 0.86456388942188 15.999 > 81 85 O 0.17703835896925 0.17530725459090 0.36456388942188 15.999 > 85 86 O 0.67703835896925 0.17530725459090 0.36456388942188 15.999 > 85 87 O 0.17703835896925 0.67530725459090 0.36456388942188 15.999 > 85 88 O 0.67703835896925 0.67530725459090 0.36456388942188 15.999 > 85 89 O 0.17639362165663 0.32036468189327 0.13381485519490 15.999 > 89 90 O 0.67639362165663 0.32036468189327 0.13381485519490 15.999 > 89 91 O 0.17639362165663 0.82036468189327 0.13381485519490 15.999 > 89 92 O 0.67639362165663 0.82036468189327 0.13381485519490 15.999 > 89 93 O 0.42638065374394 0.12422088037285 0.18338904226620 15.999 > 93 94 O 0.92638065374394 0.12422088037285 0.18338904226620 15.999 > 93 95 O 0.42638065374394 0.62422088037285 0.18338904226620 15.999 > 93 96 O 0.92638065374394 0.62422088037285 0.18338904226620 15.999 > 93 97 O 0.32296164103075 0.32469274540910 0.86456388942188 15.999 > 97 98 O 0.82296164103075 0.32469274540910 0.86456388942188 15.999 > 97 99 O 0.32296164103075 0.82469274540910 0.86456388942188 15.999 > 97 100 O 0.82296164103075 0.82469274540910 0.86456388942188 15.999 > 97 101 O 0.32296164103075 0.17530725459090 0.36456388942188 15.999 > 101 102 O 0.82296164103075 0.17530725459090 0.36456388942188 15.999 > 101 103 O 0.32296164103075 0.67530725459090 0.36456388942188 15.999 > 101 104 O 0.82296164103075 0.67530725459090 0.36456388942188 15.999 > 101 105 O 0.00000000000000 0.42516602146946 0.94823220192307 15.999 > 105 106 O 0.50000000000000 0.42516602146946 0.94823220192307 15.999 > 105 107 O 0.00000000000000 0.92516602146946 0.94823220192307 15.999 > 105 108 O 0.50000000000000 0.92516602146946 0.94823220192307 15.999 > 105 109 O 0.42568426346918 0.12989477919873 0.81579143283729 15.999 > 109 110 O 0.92568426346918 0.12989477919873 0.81579143283729 15.999 > 109 111 O 0.42568426346918 0.62989477919873 0.81579143283729 15.999 > 109 112 O 0.92568426346918 0.62989477919873 0.81579143283729 15.999 > 109 113 O 0.32360637834337 0.17963531810673 0.63381485519490 15.999 > 113 114 O 0.82360637834337 0.17963531810673 0.63381485519490 15.999 > 113 115 O 0.32360637834337 0.67963531810673 0.63381485519490 15.999 > 113 116 O 0.82360637834337 0.67963531810673 0.63381485519490 15.999 > 113 117 O 0.07431573653082 0.12989477919873 0.81579143283729 15.999 > 117 118 O 0.57431573653082 0.12989477919873 0.81579143283729 15.999 > 117 119 O 0.07431573653082 0.62989477919873 0.81579143283729 15.999 > 117 120 O 0.57431573653082 0.62989477919873 0.81579143283729 15.999 > 117 121 O 0.07361934625606 0.37577911962715 0.68338904226620 15.999 > 121 122 O 0.57361934625606 0.37577911962715 0.68338904226620 15.999 > 121 123 O 0.07361934625606 0.87577911962715 0.68338904226620 15.999 > 121 124 O 0.57361934625606 0.87577911962715 0.68338904226620 15.999 > 121 125 O 0.42568426346918 0.37010522080127 0.31579143283729 15.999 > 125 126 O 0.92568426346918 0.37010522080127 0.31579143283729 15.999 > 125 127 O 0.42568426346918 0.87010522080127 0.31579143283729 15.999 > 125 128 O 0.92568426346918 0.87010522080127 0.31579143283729 15.999 > 125 129 O 0.00000000000000 0.07483397853054 0.44823220192307 15.999 > 129 130 O 0.50000000000000 0.07483397853054 0.44823220192307 15.999 > 129 131 O 0.00000000000000 0.57483397853054 0.44823220192307 15.999 > 129 132 O 0.50000000000000 0.57483397853054 0.44823220192307 15.999 > 129 133 O 0.42638065374394 0.37577911962715 0.68338904226620 15.999 > 133 134 O 0.92638065374394 0.37577911962715 0.68338904226620 15.999 > 133 135 O 0.42638065374394 0.87577911962715 0.68338904226620 15.999 > 133 136 O 0.92638065374394 0.87577911962715 0.68338904226620 15.999 > 133 137 O 0.25000000000000 0.08792330187885 0.99819865640443 15.999 > 137 138 O 0.75000000000000 0.08792330187885 0.99819865640443 15.999 > 137 139 O 0.25000000000000 0.58792330187885 0.99819865640443 15.999 > 137 140 O 0.75000000000000 0.58792330187885 0.99819865640443 15.999 > 137 141 O 0.17639362165663 0.17963531810673 0.63381485519490 15.999 > 141 142 O 0.67639362165663 0.17963531810673 0.63381485519490 15.999 > 141 143 O 0.17639362165663 0.67963531810673 0.63381485519490 15.999 > 141 144 O 0.67639362165663 0.67963531810673 0.63381485519490 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4419496 0.0000000 0.0000000 0.0000000 3.2287050 0.0000000 0.0000000 0.0000000 3.2174417 -------------------------- Born effective charges -------------------------- 1 Na 1.0648487 0.0719394 0.0260165 -0.0207035 1.0837102 -0.0332708 0.1282738 -0.0504732 1.0737421 2 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 0.0977750 0.0000000 -0.0791977 1.1050966 3 Na 1.0243518 -0.0000000 0.0000000 0.0000000 1.2942940 -0.0977750 0.0000000 0.0791977 1.1050966 4 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 0.0348008 0.0000000 -0.0575581 1.2408933 5 Na 1.0648487 -0.0719394 0.0260165 0.0207035 1.0837102 0.0332708 0.1282738 0.0504732 1.0737421 6 Na 1.0648487 0.0719394 -0.0260165 -0.0207035 1.0837102 0.0332708 -0.1282738 0.0504732 1.0737421 7 Na 0.9432682 -0.0000000 0.0000000 0.0000000 1.0182403 -0.0348008 0.0000000 0.0575581 1.2408933 8 Na 1.0648487 -0.0719394 -0.0260165 0.0207035 1.0837102 -0.0332708 -0.1282738 -0.0504732 1.0737421 9 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 0.0775227 0.0000000 -0.0494778 4.7427599 10 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 0.9960876 0.0000000 0.1781610 2.9412082 11 Ti 4.6404141 -0.0000000 0.0000000 0.0000000 4.4896526 -0.9960876 0.0000000 -0.1781610 2.9412082 12 Ti 4.6421939 -0.0000000 0.0000000 0.0000000 3.0859479 -0.0775227 0.0000000 0.0494778 4.7427599 13 Si 4.0422090 -0.0257595 0.0870564 -0.0466236 3.3039209 -0.6640426 0.0970876 0.8207994 3.2431467 14 Si 4.0422090 -0.0257595 -0.0870564 -0.0466236 3.3039209 0.6640426 -0.0970876 -0.8207994 3.2431467 15 Si 4.0422090 0.0257595 -0.0870564 0.0466236 3.3039209 -0.6640426 -0.0970876 0.8207994 3.2431467 16 Si 4.0422090 0.0257595 0.0870564 0.0466236 3.3039209 0.6640426 0.0970876 -0.8207994 3.2431467 17 O -2.4380216 -0.0644490 -1.1612042 -0.1252170 -1.2796001 -0.1704772 -1.1696379 0.1171276 -2.5238388 18 O -2.3475298 -0.9282204 0.2759795 -0.9528950 -2.1497821 0.1537728 0.2232396 0.2285536 -1.5321058 19 O -2.4869133 1.2743502 0.1736965 1.1930649 -2.5844796 -0.1612774 0.1162684 -0.0537835 -1.1446898 20 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 0.0220546 0.0000000 0.0089166 -0.9986537 21 O -2.4503239 0.0850836 -1.1449804 0.0487249 -1.3062173 0.0762275 -1.1405164 -0.0362178 -2.4525458 22 O -2.4503239 -0.0850836 -1.1449804 -0.0487249 -1.3062173 -0.0762275 -1.1405164 0.0362178 -2.4525458 23 O -2.4380216 0.0644490 1.1612042 0.1252170 -1.2796001 -0.1704772 1.1696379 0.1171276 -2.5238388 24 O -2.3475298 0.9282204 -0.2759795 0.9528950 -2.1497821 0.1537728 -0.2232396 0.2285536 -1.5321058 25 O -2.4503239 -0.0850836 1.1449804 -0.0487249 -1.3062173 0.0762275 1.1405164 -0.0362178 -2.4525458 26 O -2.4503239 0.0850836 1.1449804 0.0487249 -1.3062173 -0.0762275 1.1405164 0.0362178 -2.4525458 27 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 0.5387497 0.0000000 0.4590299 -2.3587219 28 O -2.4869133 1.2743502 -0.1736965 1.1930649 -2.5844796 0.1612774 -0.1162684 0.0537835 -1.1446898 29 O -2.4380216 0.0644490 -1.1612042 0.1252170 -1.2796001 0.1704772 -1.1696379 -0.1171276 -2.5238388 30 O -2.4869133 -1.2743502 0.1736965 -1.1930649 -2.5844796 0.1612774 0.1162684 0.0537835 -1.1446898 31 O -2.3475298 0.9282204 0.2759795 0.9528950 -2.1497821 -0.1537728 0.2232396 -0.2285536 -1.5321058 32 O -2.4869133 -1.2743502 -0.1736965 -1.1930649 -2.5844796 -0.1612774 -0.1162684 -0.0537835 -1.1446898 33 O -1.0320807 -0.0000000 0.0000000 0.0000000 -1.2876874 -0.5387497 0.0000000 -0.4590299 -2.3587219 34 O -2.3475298 -0.9282204 -0.2759795 -0.9528950 -2.1497821 -0.1537728 -0.2232396 -0.2285536 -1.5321058 35 O -0.9866858 -0.0000000 0.0000000 0.0000000 -2.7355512 -0.0220546 0.0000000 -0.0089166 -0.9986537 36 O -2.4380216 -0.0644490 1.1612042 -0.1252170 -1.2796001 0.1704772 1.1696379 -0.1171276 -2.5238388 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000134 (yyy) -0.00000134 (yyy) -0.00000134 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 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 3.073 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 -0.000) 0.000 3.144 ( 0.000 0.000 -0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 -0.000) 0.000 4.399 ( 0.000 0.000 -0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 -0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 -0.000) 0.000 5.407 ( 0.000 0.000 -0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 -0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 -0.000) 0.000 6.588 ( 0.000 0.000 -0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 -0.000) 0.000 7.441 ( 0.000 0.000 -0.000) 0.000 7.536 ( 0.000 0.000 -0.000) 0.000 7.583 ( 0.000 0.000 -0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 -0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 -0.000) 0.000 8.752 ( 0.000 0.000 -0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 -0.000) 0.000 9.444 ( 0.000 0.000 -0.000) 0.000 9.618 ( 0.000 0.000 -0.000) 0.000 9.723 ( 0.000 0.000 -0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 -0.000) 0.000 11.007 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 -0.000) 0.000 11.599 ( 0.000 0.000 -0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 -0.000) 0.000 12.789 ( 0.000 0.000 -0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.548 ( 0.000 0.000 0.000) 0.000 14.354 ( 0.000 0.000 -0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.559 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 -0.000) 0.000 15.555 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 16.168 ( 0.000 0.000 -0.000) 0.000 16.432 ( 0.000 0.000 -0.000) 0.000 16.783 ( 0.000 0.000 -0.000) 0.000 16.874 ( 0.000 0.000 -0.000) 0.000 17.110 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 24.668 ( 0.000 0.000 0.000) 0.000 24.723 ( 0.000 0.000 -0.000) 0.000 25.172 ( 0.000 0.000 0.000) 0.000 25.176 ( 0.000 0.000 0.000) 0.000 25.423 ( 0.000 0.000 -0.000) 0.000 25.525 ( 0.000 0.000 0.000) 0.000 25.754 ( 0.000 0.000 0.000) 0.000 25.840 ( 0.000 0.000 0.000) 0.000 25.944 ( 0.000 0.000 0.000) 0.000 26.338 ( 0.000 0.000 0.000) 0.000 26.404 ( 0.000 0.000 -0.000) 0.000 26.493 ( 0.000 0.000 0.000) 0.000 26.602 ( 0.000 0.000 0.000) 0.000 26.761 ( 0.000 0.000 -0.000) 0.000 27.325 ( 0.000 0.000 0.000) 0.000 27.386 ( 0.000 0.000 -0.000) 0.000 27.424 ( 0.000 0.000 -0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000 30.668 ( 0.000 0.000 0.000) 0.000 30.796 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 42.335 0.000 0.000) 42.335 0.975 ( 44.565 0.000 0.000) 44.565 1.679 ( 74.721 0.000 0.000) 74.721 2.953 ( -6.819 0.000 0.000) 6.819 3.150 ( -5.786 0.000 0.000) 5.786 3.254 ( -17.726 0.000 0.000) 17.726 3.323 ( -6.831 0.000 0.000) 6.831 3.354 ( 9.028 0.000 0.000) 9.028 3.624 ( -9.493 0.000 0.000) 9.493 3.718 ( -3.273 0.000 0.000) 3.273 3.989 ( -3.114 0.000 0.000) 3.114 4.082 ( -5.087 0.000 0.000) 5.087 4.116 ( -0.690 0.000 0.000) 0.690 4.429 ( -9.908 0.000 0.000) 9.908 4.458 ( -5.284 0.000 0.000) 5.284 4.569 ( -0.257 0.000 0.000) 0.257 4.571 ( 3.036 0.000 0.000) 3.036 4.641 ( 1.712 0.000 0.000) 1.712 4.705 ( 18.873 0.000 0.000) 18.873 5.050 ( -0.091 0.000 0.000) 0.091 5.298 ( -8.050 0.000 0.000) 8.050 5.337 ( -2.608 0.000 0.000) 2.608 5.366 ( 2.338 0.000 0.000) 2.338 5.515 ( -2.252 0.000 0.000) 2.252 5.577 ( 1.618 0.000 0.000) 1.618 5.777 ( -0.399 0.000 0.000) 0.399 5.806 ( 3.652 0.000 0.000) 3.652 5.943 ( -9.294 0.000 0.000) 9.294 6.004 ( -1.099 0.000 0.000) 1.099 6.020 ( -4.331 0.000 0.000) 4.331 6.169 ( -1.003 0.000 0.000) 1.003 6.175 ( -5.261 0.000 0.000) 5.261 6.346 ( 3.167 0.000 0.000) 3.167 6.574 ( 13.156 0.000 0.000) 13.156 6.604 ( 0.253 0.000 0.000) 0.253 6.727 ( -5.426 0.000 0.000) 5.426 6.847 ( 12.343 0.000 0.000) 12.343 7.054 ( -3.115 0.000 0.000) 3.115 7.161 ( 0.600 0.000 0.000) 0.600 7.282 ( -14.134 0.000 0.000) 14.134 7.291 ( 3.970 0.000 0.000) 3.970 7.498 ( 2.360 0.000 0.000) 2.360 7.538 ( 3.307 0.000 0.000) 3.307 7.569 ( -0.968 0.000 0.000) 0.968 7.941 ( 13.713 0.000 0.000) 13.713 8.001 ( -6.324 0.000 0.000) 6.324 8.017 ( -15.060 0.000 0.000) 15.060 8.150 ( -5.071 0.000 0.000) 5.071 8.167 ( -5.674 0.000 0.000) 5.674 8.411 ( 2.246 0.000 0.000) 2.246 8.645 ( -6.149 0.000 0.000) 6.149 8.827 ( -5.223 0.000 0.000) 5.223 8.927 ( 8.882 0.000 0.000) 8.882 9.241 ( -3.730 0.000 0.000) 3.730 9.254 ( -3.571 0.000 0.000) 3.571 9.302 ( 10.480 0.000 0.000) 10.480 9.521 ( 12.931 0.000 0.000) 12.931 9.857 ( 8.278 0.000 0.000) 8.278 10.036 ( 12.701 0.000 0.000) 12.701 10.063 ( -1.357 0.000 0.000) 1.357 10.459 ( 15.783 0.000 0.000) 15.783 10.503 ( 7.249 0.000 0.000) 7.249 10.783 ( -11.892 0.000 0.000) 11.892 10.949 ( -3.431 0.000 0.000) 3.431 11.127 ( -6.870 0.000 0.000) 6.870 11.188 ( -20.808 0.000 0.000) 20.808 11.230 ( -19.829 0.000 0.000) 19.829 11.706 ( 1.664 0.000 0.000) 1.664 12.006 ( 5.770 0.000 0.000) 5.770 12.712 ( -6.832 0.000 0.000) 6.832 12.759 ( 19.226 0.000 0.000) 19.226 13.274 ( -2.209 0.000 0.000) 2.209 13.543 ( -0.456 0.000 0.000) 0.456 14.078 ( 0.294 0.000 0.000) 0.294 14.386 ( -1.859 0.000 0.000) 1.859 14.395 ( 3.496 0.000 0.000) 3.496 14.674 ( -1.436 0.000 0.000) 1.436 15.365 ( 1.716 0.000 0.000) 1.716 15.384 ( 2.456 0.000 0.000) 2.456 15.504 ( 9.390 0.000 0.000) 9.390 15.718 ( 4.659 0.000 0.000) 4.659 16.115 ( -3.443 0.000 0.000) 3.443 16.154 ( -5.336 0.000 0.000) 5.336 16.421 ( -0.875 0.000 0.000) 0.875 16.709 ( -9.146 0.000 0.000) 9.146 16.756 ( -2.232 0.000 0.000) 2.232 16.973 ( -8.788 0.000 0.000) 8.788 17.335 ( 6.575 0.000 0.000) 6.575 24.665 ( -0.205 0.000 0.000) 0.205 24.724 ( 0.072 0.000 0.000) 0.072 25.221 ( 4.081 0.000 0.000) 4.081 25.256 ( 1.367 0.000 0.000) 1.367 25.419 ( -0.359 0.000 0.000) 0.359 25.497 ( -2.390 0.000 0.000) 2.390 25.730 ( -4.386 0.000 0.000) 4.386 25.946 ( 4.580 0.000 0.000) 4.580 26.026 ( 6.621 0.000 0.000) 6.621 26.351 ( -7.701 0.000 0.000) 7.701 26.393 ( -0.914 0.000 0.000) 0.914 26.654 ( 0.655 0.000 0.000) 0.655 26.874 ( 8.922 0.000 0.000) 8.922 27.234 ( 0.352 0.000 0.000) 0.352 27.351 ( -3.205 0.000 0.000) 3.205 27.414 ( -0.790 0.000 0.000) 0.790 28.873 ( -1.302 0.000 0.000) 1.302 30.462 ( 1.772 0.000 0.000) 1.772 30.645 ( -2.044 0.000 0.000) 2.044 30.765 ( -2.412 0.000 0.000) 2.412 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 39.572 0.000 0.000) 39.572 1.929 ( 42.043 0.000 0.000) 42.043 2.681 ( -29.896 0.000 0.000) 29.896 2.797 ( -32.850 0.000 0.000) 32.850 2.836 ( -4.281 0.000 0.000) 4.281 2.970 ( -7.811 0.000 0.000) 7.811 3.202 ( 59.668 0.000 0.000) 59.668 3.550 ( 0.738 0.000 0.000) 0.738 3.640 ( 0.324 0.000 0.000) 0.324 3.712 ( 11.209 0.000 0.000) 11.209 3.898 ( -5.341 0.000 0.000) 5.341 3.969 ( -5.425 0.000 0.000) 5.425 4.038 ( -3.248 0.000 0.000) 3.248 4.220 ( -6.142 0.000 0.000) 6.142 4.283 ( -18.829 0.000 0.000) 18.829 4.529 ( -2.365 0.000 0.000) 2.365 4.727 ( 6.265 0.000 0.000) 6.265 4.770 ( 9.431 0.000 0.000) 9.431 5.013 ( 6.223 0.000 0.000) 6.223 5.021 ( -4.930 0.000 0.000) 4.930 5.115 ( -6.832 0.000 0.000) 6.832 5.140 ( -10.462 0.000 0.000) 10.462 5.315 ( -0.559 0.000 0.000) 0.559 5.523 ( 2.263 0.000 0.000) 2.263 5.553 ( -4.272 0.000 0.000) 4.272 5.768 ( 0.035 0.000 0.000) 0.035 5.807 ( -3.118 0.000 0.000) 3.118 5.917 ( 4.790 0.000 0.000) 4.790 5.995 ( 2.256 0.000 0.000) 2.256 6.032 ( 1.817 0.000 0.000) 1.817 6.101 ( 3.384 0.000 0.000) 3.384 6.131 ( -2.099 0.000 0.000) 2.099 6.346 ( -8.043 0.000 0.000) 8.043 6.520 ( -7.393 0.000 0.000) 7.393 6.596 ( -0.744 0.000 0.000) 0.744 6.816 ( 5.501 0.000 0.000) 5.501 7.010 ( 0.325 0.000 0.000) 0.325 7.026 ( -6.236 0.000 0.000) 6.236 7.103 ( 8.393 0.000 0.000) 8.393 7.171 ( 0.027 0.000 0.000) 0.027 7.359 ( 0.773 0.000 0.000) 0.773 7.542 ( 2.317 0.000 0.000) 2.317 7.586 ( 2.228 0.000 0.000) 2.228 7.650 ( 7.053 0.000 0.000) 7.053 7.710 ( -9.269 0.000 0.000) 9.269 7.836 ( -8.430 0.000 0.000) 8.430 8.001 ( -2.238 0.000 0.000) 2.238 8.053 ( -3.546 0.000 0.000) 3.546 8.180 ( 1.488 0.000 0.000) 1.488 8.573 ( -1.061 0.000 0.000) 1.061 8.635 ( 12.967 0.000 0.000) 12.967 8.740 ( -2.529 0.000 0.000) 2.529 9.047 ( -0.953 0.000 0.000) 0.953 9.190 ( -1.126 0.000 0.000) 1.126 9.212 ( 2.682 0.000 0.000) 2.682 9.671 ( 18.681 0.000 0.000) 18.681 9.837 ( 12.956 0.000 0.000) 12.956 9.921 ( 0.139 0.000 0.000) 0.139 10.058 ( 2.806 0.000 0.000) 2.806 10.176 ( 1.473 0.000 0.000) 1.473 10.339 ( -20.616 0.000 0.000) 20.616 10.560 ( -19.962 0.000 0.000) 19.962 10.632 ( -1.737 0.000 0.000) 1.737 10.780 ( 6.301 0.000 0.000) 6.301 10.814 ( -12.060 0.000 0.000) 12.060 11.104 ( 11.739 0.000 0.000) 11.739 11.149 ( -0.774 0.000 0.000) 0.774 11.791 ( 4.853 0.000 0.000) 4.853 11.996 ( -4.487 0.000 0.000) 4.487 12.533 ( -7.084 0.000 0.000) 7.084 13.122 ( 11.109 0.000 0.000) 11.109 13.266 ( 0.960 0.000 0.000) 0.960 13.520 ( -1.606 0.000 0.000) 1.606 14.017 ( -3.473 0.000 0.000) 3.473 14.447 ( 5.560 0.000 0.000) 5.560 14.483 ( 3.394 0.000 0.000) 3.394 14.602 ( -4.642 0.000 0.000) 4.642 15.400 ( 1.097 0.000 0.000) 1.097 15.435 ( 1.554 0.000 0.000) 1.554 15.654 ( -7.057 0.000 0.000) 7.057 15.743 ( 11.170 0.000 0.000) 11.170 15.993 ( -8.922 0.000 0.000) 8.922 16.176 ( 6.739 0.000 0.000) 6.739 16.403 ( -0.595 0.000 0.000) 0.595 16.611 ( 0.582 0.000 0.000) 0.582 16.708 ( -1.555 0.000 0.000) 1.555 16.750 ( -10.329 0.000 0.000) 10.329 17.424 ( 1.844 0.000 0.000) 1.844 24.662 ( -0.108 0.000 0.000) 0.108 24.726 ( 0.045 0.000 0.000) 0.045 25.287 ( 1.090 0.000 0.000) 1.090 25.327 ( 5.079 0.000 0.000) 5.079 25.410 ( -0.348 0.000 0.000) 0.348 25.428 ( -3.914 0.000 0.000) 3.914 25.657 ( -1.892 0.000 0.000) 1.892 26.022 ( 2.034 0.000 0.000) 2.034 26.169 ( 4.585 0.000 0.000) 4.585 26.223 ( -3.217 0.000 0.000) 3.217 26.372 ( -0.706 0.000 0.000) 0.706 26.644 ( -0.890 0.000 0.000) 0.890 27.072 ( 8.279 0.000 0.000) 8.279 27.242 ( 0.269 0.000 0.000) 0.269 27.249 ( -5.869 0.000 0.000) 5.869 27.397 ( -0.540 0.000 0.000) 0.540 28.848 ( -0.741 0.000 0.000) 0.741 30.516 ( 3.003 0.000 0.000) 3.003 30.586 ( -3.170 0.000 0.000) 3.170 30.716 ( -1.451 0.000 0.000) 1.451 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 39.581 0.000) 39.581 0.925 ( 0.000 43.706 0.000) 43.706 1.280 ( 0.000 58.596 0.000) 58.596 3.077 ( 0.000 -7.201 0.000) 7.201 3.115 ( 0.000 3.061 0.000) 3.061 3.239 ( 0.000 8.377 0.000) 8.377 3.520 ( 0.000 5.104 0.000) 5.104 3.587 ( 0.000 -3.610 0.000) 3.610 3.665 ( 0.000 -0.866 0.000) 0.866 3.780 ( 0.000 -0.005 0.000) 0.005 3.822 ( 0.000 -6.231 0.000) 6.231 3.947 ( 0.000 -14.348 0.000) 14.348 4.326 ( 0.000 -0.154 0.000) 0.154 4.381 ( 0.000 -12.499 0.000) 12.499 4.399 ( 0.000 -1.172 0.000) 1.172 4.444 ( 0.000 8.479 0.000) 8.479 4.595 ( 0.000 3.372 0.000) 3.372 4.667 ( 0.000 3.631 0.000) 3.631 4.726 ( 0.000 5.029 0.000) 5.029 4.993 ( 0.000 -3.657 0.000) 3.657 5.156 ( 0.000 -2.952 0.000) 2.952 5.339 ( 0.000 -5.360 0.000) 5.360 5.357 ( 0.000 -9.237 0.000) 9.237 5.504 ( 0.000 6.710 0.000) 6.710 5.532 ( 0.000 -9.174 0.000) 9.174 5.632 ( 0.000 -12.325 0.000) 12.325 5.818 ( 0.000 1.680 0.000) 1.680 6.040 ( 0.000 -1.483 0.000) 1.483 6.074 ( 0.000 0.769 0.000) 0.769 6.138 ( 0.000 -0.375 0.000) 0.375 6.208 ( 0.000 2.398 0.000) 2.398 6.277 ( 0.000 0.576 0.000) 0.576 6.343 ( 0.000 3.922 0.000) 3.922 6.581 ( 0.000 -0.265 0.000) 0.265 6.610 ( 0.000 -2.554 0.000) 2.554 6.678 ( 0.000 -1.852 0.000) 1.852 7.021 ( 0.000 4.152 0.000) 4.152 7.027 ( 0.000 -4.071 0.000) 4.071 7.155 ( 0.000 -4.982 0.000) 4.982 7.176 ( 0.000 1.480 0.000) 1.480 7.314 ( 0.000 -5.499 0.000) 5.499 7.436 ( 0.000 -5.122 0.000) 5.122 7.542 ( 0.000 0.208 0.000) 0.208 7.674 ( 0.000 7.541 0.000) 7.541 7.681 ( 0.000 -1.738 0.000) 1.738 8.018 ( 0.000 -4.709 0.000) 4.709 8.172 ( 0.000 0.985 0.000) 0.985 8.202 ( 0.000 -3.710 0.000) 3.710 8.344 ( 0.000 2.336 0.000) 2.336 8.413 ( 0.000 -2.709 0.000) 2.709 8.630 ( 0.000 -12.985 0.000) 12.985 8.780 ( 0.000 -3.692 0.000) 3.692 8.848 ( 0.000 2.288 0.000) 2.288 9.192 ( 0.000 -1.765 0.000) 1.765 9.315 ( 0.000 1.737 0.000) 1.737 9.380 ( 0.000 0.697 0.000) 0.697 9.454 ( 0.000 1.418 0.000) 1.418 9.925 ( 0.000 5.065 0.000) 5.065 9.987 ( 0.000 11.698 0.000) 11.698 10.068 ( 0.000 0.157 0.000) 0.157 10.335 ( 0.000 5.444 0.000) 5.444 10.451 ( 0.000 0.713 0.000) 0.713 10.597 ( 0.000 1.304 0.000) 1.304 10.830 ( 0.000 -3.403 0.000) 3.403 11.107 ( 0.000 3.173 0.000) 3.173 11.523 ( 0.000 -2.066 0.000) 2.066 11.637 ( 0.000 -2.954 0.000) 2.954 11.680 ( 0.000 9.014 0.000) 9.014 11.992 ( 0.000 -1.090 0.000) 1.090 12.266 ( 0.000 -15.370 0.000) 15.370 12.438 ( 0.000 -1.386 0.000) 1.386 12.755 ( 0.000 -5.128 0.000) 5.128 13.275 ( 0.000 -3.517 0.000) 3.517 13.506 ( 0.000 -11.633 0.000) 11.633 14.062 ( 0.000 -25.150 0.000) 25.150 14.360 ( 0.000 -18.207 0.000) 18.207 14.506 ( 0.000 4.844 0.000) 4.844 15.019 ( 0.000 -0.814 0.000) 0.814 15.379 ( 0.000 1.053 0.000) 1.053 15.389 ( 0.000 4.435 0.000) 4.435 15.681 ( 0.000 13.968 0.000) 13.968 16.030 ( 0.000 -15.347 0.000) 15.347 16.039 ( 0.000 25.194 0.000) 25.194 16.487 ( 0.000 3.513 0.000) 3.513 16.929 ( 0.000 10.049 0.000) 10.049 17.144 ( 0.000 3.124 0.000) 3.124 17.181 ( 0.000 4.705 0.000) 4.705 17.894 ( 0.000 -4.869 0.000) 4.869 24.817 ( 0.000 8.595 0.000) 8.595 24.950 ( 0.000 6.419 0.000) 6.419 25.159 ( 0.000 -0.013 0.000) 0.013 25.210 ( 0.000 1.962 0.000) 1.962 25.417 ( 0.000 -0.580 0.000) 0.580 25.667 ( 0.000 -5.727 0.000) 5.727 25.755 ( 0.000 0.021 0.000) 0.021 25.936 ( 0.000 -0.769 0.000) 0.769 25.986 ( 0.000 6.705 0.000) 6.705 26.339 ( 0.000 0.056 0.000) 0.056 26.434 ( 0.000 2.665 0.000) 2.665 26.590 ( 0.000 -1.275 0.000) 1.275 26.746 ( 0.000 -1.329 0.000) 1.329 26.812 ( 0.000 -0.321 0.000) 0.321 27.296 ( 0.000 -2.780 0.000) 2.780 27.404 ( 0.000 -2.213 0.000) 2.213 28.861 ( 0.000 5.014 0.000) 5.014 29.651 ( 0.000 -2.610 0.000) 2.610 30.568 ( 0.000 -9.090 0.000) 9.090 31.080 ( 0.000 -4.426 0.000) 4.426 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 30.617 19.765 0.000) 36.443 1.245 ( 30.392 24.031 0.000) 38.745 2.207 ( 58.241 39.293 0.000) 70.256 2.938 ( -9.024 -1.851 0.000) 9.212 3.128 ( -3.802 -2.400 0.000) 4.496 3.265 ( -13.759 0.333 0.000) 13.763 3.391 ( -14.015 4.651 0.000) 14.767 3.463 ( 15.326 8.645 0.000) 17.596 3.568 ( -11.695 -4.386 0.000) 12.490 3.732 ( -3.351 0.316 0.000) 3.366 3.883 ( 2.185 -2.843 0.000) 3.586 4.012 ( -2.197 -8.331 0.000) 8.616 4.187 ( -6.011 1.167 0.000) 6.123 4.380 ( -0.356 -3.298 0.000) 3.317 4.423 ( 2.754 -9.383 0.000) 9.778 4.466 ( -7.240 0.442 0.000) 7.254 4.547 ( 1.023 -0.779 0.000) 1.286 4.641 ( 1.506 1.116 0.000) 1.874 4.744 ( 4.097 2.854 0.000) 4.993 5.008 ( 1.018 -3.595 0.000) 3.736 5.205 ( -0.509 -8.313 0.000) 8.328 5.281 ( 0.200 -6.351 0.000) 6.354 5.312 ( -4.896 0.936 0.000) 4.985 5.465 ( -2.624 -4.781 0.000) 5.454 5.588 ( 4.161 -7.720 0.000) 8.770 5.701 ( 5.701 -1.756 0.000) 5.966 5.829 ( -0.319 0.999 0.000) 1.049 5.936 ( -9.852 2.073 0.000) 10.068 6.049 ( -1.034 2.088 0.000) 2.330 6.084 ( -7.420 4.258 0.000) 8.555 6.133 ( -1.312 -1.721 0.000) 2.165 6.209 ( -7.399 0.729 0.000) 7.435 6.350 ( 0.117 -1.653 0.000) 1.657 6.519 ( 2.698 -3.108 0.000) 4.116 6.632 ( 1.953 -0.465 0.000) 2.008 6.750 ( 2.335 3.397 0.000) 4.122 6.923 ( 4.029 0.128 0.000) 4.031 7.053 ( -0.574 3.061 0.000) 3.114 7.199 ( -2.715 -4.332 0.000) 5.112 7.253 ( -2.387 2.814 0.000) 3.690 7.270 ( 1.885 -0.158 0.000) 1.892 7.480 ( -2.791 -4.055 0.000) 4.922 7.510 ( 0.176 0.589 0.000) 0.615 7.594 ( 6.452 1.045 0.000) 6.536 7.826 ( 1.478 -6.910 0.000) 7.067 7.932 ( -12.459 -5.690 0.000) 13.697 8.051 ( -2.247 2.839 0.000) 3.620 8.176 ( 2.559 0.008 0.000) 2.559 8.253 ( -3.206 4.270 0.000) 5.339 8.373 ( -1.431 -0.287 0.000) 1.459 8.670 ( -6.566 2.175 0.000) 6.917 8.810 ( -2.803 -0.652 0.000) 2.878 8.907 ( 8.034 -1.826 0.000) 8.239 9.046 ( 12.600 -11.044 0.000) 16.755 9.343 ( -6.502 5.712 0.000) 8.655 9.430 ( 3.880 7.210 0.000) 8.187 9.574 ( 8.746 2.104 0.000) 8.995 9.933 ( 4.164 6.749 0.000) 7.930 9.996 ( 1.086 -1.804 0.000) 2.106 10.119 ( 5.844 2.866 0.000) 6.509 10.406 ( 9.987 -2.990 0.000) 10.425 10.585 ( 11.919 4.386 0.000) 12.700 10.699 ( -10.207 -3.087 0.000) 10.664 10.980 ( -11.920 -1.409 0.000) 12.003 11.145 ( 5.881 -1.970 0.000) 6.202 11.225 ( -20.969 1.630 0.000) 21.032 11.278 ( -14.784 9.623 0.000) 17.640 11.695 ( 0.669 -0.242 0.000) 0.711 12.010 ( 1.243 -0.459 0.000) 1.325 12.502 ( 13.115 -20.846 0.000) 24.629 12.674 ( -3.295 -3.773 0.000) 5.009 13.230 ( 9.042 -16.652 0.000) 18.949 13.261 ( 18.753 -27.237 0.000) 33.068 13.473 ( -0.168 -20.914 0.000) 20.914 14.229 ( 8.333 -14.613 0.000) 16.822 14.354 ( 0.731 -10.689 0.000) 10.714 14.549 ( 2.623 -3.868 0.000) 4.673 15.189 ( 9.405 -8.581 0.000) 12.731 15.281 ( -0.904 -3.617 0.000) 3.728 15.444 ( 3.822 0.959 0.000) 3.941 15.696 ( 0.968 9.544 0.000) 9.593 15.964 ( -5.988 -11.183 0.000) 12.685 16.193 ( 8.561 17.084 0.000) 19.110 16.476 ( -0.744 4.591 0.000) 4.651 16.873 ( -4.445 9.274 0.000) 10.284 16.953 ( -12.403 5.712 0.000) 13.655 17.143 ( -4.396 9.325 0.000) 10.309 17.714 ( -6.934 14.719 0.000) 16.271 24.811 ( -4.513 10.471 0.000) 11.402 24.820 ( -0.014 8.773 0.000) 8.773 25.207 ( 3.171 -0.626 0.000) 3.232 25.266 ( 3.104 1.194 0.000) 3.326 25.407 ( -0.583 -0.660 0.000) 0.880 25.522 ( -4.493 0.234 0.000) 4.499 25.734 ( -3.458 0.400 0.000) 3.481 25.985 ( 3.915 1.329 0.000) 4.134 26.043 ( 4.248 2.800 0.000) 5.088 26.316 ( -4.141 -1.396 0.000) 4.370 26.461 ( -2.987 4.143 0.000) 5.107 26.650 ( 1.208 -0.518 0.000) 1.315 26.827 ( 10.561 -4.330 0.000) 11.414 27.070 ( 8.440 -9.823 0.000) 12.951 27.316 ( 0.375 -3.194 0.000) 3.216 27.397 ( -0.393 -1.914 0.000) 1.954 28.903 ( 1.227 4.031 0.000) 4.214 29.944 ( 17.132 -21.288 0.000) 27.325 30.541 ( -2.364 -9.227 0.000) 9.525 30.917 ( -10.069 0.495 0.000) 10.081 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 38.638 3.937 0.000) 38.839 1.998 ( 36.431 10.027 0.000) 37.786 2.680 ( -24.103 -4.003 0.000) 24.433 2.785 ( -24.615 3.495 0.000) 24.862 2.844 ( -18.351 1.715 0.000) 18.431 3.045 ( -5.542 4.816 0.000) 7.342 3.458 ( 23.760 9.111 0.000) 25.447 3.511 ( 25.513 8.485 0.000) 26.887 3.657 ( 0.342 1.792 0.000) 1.824 3.811 ( 10.162 7.036 0.000) 12.360 3.898 ( -1.336 -1.872 0.000) 2.300 3.922 ( 0.445 -0.823 0.000) 0.936 4.059 ( -4.756 2.957 0.000) 5.601 4.280 ( -6.455 4.384 0.000) 7.803 4.325 ( -9.768 3.117 0.000) 10.253 4.463 ( -0.629 -8.168 0.000) 8.192 4.662 ( 4.367 -6.048 0.000) 7.460 4.712 ( 2.051 -0.743 0.000) 2.182 4.764 ( -0.165 -15.025 0.000) 15.026 4.988 ( -2.292 -2.311 0.000) 3.255 5.132 ( -9.381 -0.573 0.000) 9.398 5.213 ( -3.073 -7.400 0.000) 8.013 5.309 ( 0.948 7.912 0.000) 7.969 5.386 ( -0.656 -7.908 0.000) 7.935 5.624 ( -1.276 0.276 0.000) 1.305 5.713 ( -3.540 -5.977 0.000) 6.947 5.721 ( -3.413 -2.894 0.000) 4.475 5.921 ( 5.273 -0.831 0.000) 5.338 5.982 ( -0.704 -0.921 0.000) 1.159 6.054 ( -1.909 -0.034 0.000) 1.910 6.093 ( 0.821 -1.169 0.000) 1.429 6.137 ( 2.821 1.526 0.000) 3.208 6.299 ( -5.152 -2.239 0.000) 5.618 6.554 ( 0.518 -3.157 0.000) 3.199 6.597 ( -6.158 2.984 0.000) 6.843 6.826 ( 1.239 1.681 0.000) 2.088 6.884 ( -0.871 -8.301 0.000) 8.347 7.072 ( -3.066 4.249 0.000) 5.240 7.174 ( 3.735 1.666 0.000) 4.090 7.222 ( 2.670 3.856 0.000) 4.690 7.315 ( -0.147 -1.818 0.000) 1.824 7.431 ( 0.589 -7.713 0.000) 7.736 7.560 ( -1.022 -2.009 0.000) 2.254 7.671 ( -3.654 -0.505 0.000) 3.689 7.761 ( 5.501 5.666 0.000) 7.897 7.858 ( 0.922 -6.762 0.000) 6.824 7.995 ( -2.024 7.646 0.000) 7.910 8.151 ( -5.262 9.308 0.000) 10.693 8.188 ( -1.365 -1.782 0.000) 2.245 8.552 ( 8.354 -3.971 0.000) 9.250 8.572 ( -0.020 -1.433 0.000) 1.433 8.753 ( -0.398 0.257 0.000) 0.474 9.063 ( 1.818 2.150 0.000) 2.816 9.240 ( 0.242 2.703 0.000) 2.713 9.287 ( 3.884 6.082 0.000) 7.216 9.623 ( 14.324 -1.793 0.000) 14.436 9.844 ( 12.440 -1.063 0.000) 12.485 9.956 ( -0.278 3.375 0.000) 3.387 9.995 ( 0.654 -5.534 0.000) 5.573 10.186 ( -0.257 -0.210 0.000) 0.331 10.322 ( -14.624 1.010 0.000) 14.659 10.516 ( -18.333 -3.785 0.000) 18.720 10.704 ( 6.244 -0.225 0.000) 6.249 10.804 ( -6.624 1.558 0.000) 6.805 10.818 ( -9.400 4.753 0.000) 10.534 11.110 ( 10.291 1.155 0.000) 10.355 11.279 ( -0.228 10.613 0.000) 10.616 11.763 ( 3.907 -2.492 0.000) 4.635 11.952 ( -4.784 -4.327 0.000) 6.451 12.450 ( -6.817 -10.291 0.000) 12.344 12.846 ( 8.442 -19.278 0.000) 21.046 13.244 ( 1.293 -2.399 0.000) 2.726 13.381 ( -1.570 -12.783 0.000) 12.879 13.643 ( 4.503 -36.376 0.000) 36.654 14.358 ( 6.182 -5.227 0.000) 8.096 14.406 ( 2.713 -5.713 0.000) 6.324 14.531 ( -4.985 -7.058 0.000) 8.641 15.251 ( 2.655 -14.166 0.000) 14.413 15.410 ( 3.114 -10.270 0.000) 10.732 15.543 ( 3.574 8.802 0.000) 9.500 15.710 ( 1.644 -0.527 0.000) 1.727 15.814 ( -6.209 -5.039 0.000) 7.997 16.320 ( 3.385 5.953 0.000) 6.848 16.452 ( -1.820 4.364 0.000) 4.728 16.763 ( -2.374 8.620 0.000) 8.941 16.792 ( -3.400 7.387 0.000) 8.132 17.034 ( -3.994 21.417 0.000) 21.786 17.642 ( -1.057 13.485 0.000) 13.526 24.760 ( -0.843 8.587 0.000) 8.628 24.823 ( 0.096 8.831 0.000) 8.831 25.266 ( 1.629 -0.848 0.000) 1.837 25.343 ( 3.568 0.482 0.000) 3.601 25.398 ( 0.037 -0.198 0.000) 0.201 25.444 ( -3.296 0.621 0.000) 3.354 25.668 ( -1.872 0.822 0.000) 2.044 26.012 ( -0.872 -0.091 0.000) 0.877 26.163 ( 5.152 -0.837 0.000) 5.220 26.273 ( 0.173 3.170 0.000) 3.174 26.391 ( -2.942 2.007 0.000) 3.562 26.641 ( -0.943 -0.368 0.000) 1.012 27.045 ( 7.981 -2.653 0.000) 8.410 27.154 ( 1.423 -5.682 0.000) 5.858 27.263 ( -4.517 -1.637 0.000) 4.805 27.393 ( -0.100 -0.532 0.000) 0.541 28.910 ( -0.054 6.174 0.000) 6.174 30.225 ( 8.310 -20.656 0.000) 22.265 30.469 ( -3.766 -9.086 0.000) 9.835 30.751 ( -4.295 -1.440 0.000) 4.530 ======================= Grid point 10 (7/54) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 35.465 0.000) 35.465 1.803 ( 0.000 40.173 0.000) 40.173 2.410 ( 0.000 48.098 0.000) 48.098 2.777 ( 0.000 -20.159 0.000) 20.159 3.138 ( 0.000 -2.841 0.000) 2.841 3.393 ( 0.000 -2.971 0.000) 2.971 3.444 ( 0.000 -8.794 0.000) 8.794 3.563 ( 0.000 4.065 0.000) 4.065 3.705 ( 0.000 -9.540 0.000) 9.540 3.726 ( 0.000 8.460 0.000) 8.460 3.733 ( 0.000 -5.185 0.000) 5.185 3.855 ( 0.000 6.359 0.000) 6.359 4.076 ( 0.000 -12.324 0.000) 12.324 4.216 ( 0.000 -5.967 0.000) 5.967 4.386 ( 0.000 0.873 0.000) 0.873 4.610 ( 0.000 1.206 0.000) 1.206 4.632 ( 0.000 6.320 0.000) 6.320 4.812 ( 0.000 8.307 0.000) 8.307 4.873 ( 0.000 3.502 0.000) 3.502 4.921 ( 0.000 -2.393 0.000) 2.393 5.068 ( 0.000 -5.866 0.000) 5.866 5.076 ( 0.000 -12.348 0.000) 12.348 5.248 ( 0.000 -1.639 0.000) 1.639 5.319 ( 0.000 -10.105 0.000) 10.105 5.415 ( 0.000 -8.227 0.000) 8.227 5.684 ( 0.000 9.342 0.000) 9.342 5.831 ( 0.000 -0.426 0.000) 0.426 5.983 ( 0.000 -3.640 0.000) 3.640 6.063 ( 0.000 -5.271 0.000) 5.271 6.104 ( 0.000 0.705 0.000) 0.705 6.274 ( 0.000 -0.091 0.000) 0.091 6.309 ( 0.000 4.683 0.000) 4.683 6.459 ( 0.000 -11.611 0.000) 11.611 6.463 ( 0.000 7.597 0.000) 7.597 6.602 ( 0.000 2.847 0.000) 2.847 6.616 ( 0.000 -3.119 0.000) 3.119 6.907 ( 0.000 -7.167 0.000) 7.167 6.921 ( 0.000 -9.046 0.000) 9.046 7.176 ( 0.000 -4.447 0.000) 4.447 7.205 ( 0.000 0.815 0.000) 0.815 7.221 ( 0.000 -3.470 0.000) 3.470 7.283 ( 0.000 0.922 0.000) 0.922 7.576 ( 0.000 -3.441 0.000) 3.441 7.712 ( 0.000 -5.208 0.000) 5.208 7.740 ( 0.000 10.049 0.000) 10.049 7.966 ( 0.000 0.807 0.000) 0.807 8.012 ( 0.000 -18.733 0.000) 18.733 8.112 ( 0.000 -4.545 0.000) 4.545 8.248 ( 0.000 -1.795 0.000) 1.795 8.413 ( 0.000 4.452 0.000) 4.452 8.627 ( 0.000 6.563 0.000) 6.563 8.684 ( 0.000 -5.350 0.000) 5.350 8.946 ( 0.000 5.858 0.000) 5.858 9.185 ( 0.000 1.101 0.000) 1.101 9.232 ( 0.000 -6.714 0.000) 6.714 9.467 ( 0.000 2.970 0.000) 2.970 9.532 ( 0.000 7.308 0.000) 7.308 9.926 ( 0.000 -3.553 0.000) 3.553 9.973 ( 0.000 -5.488 0.000) 5.488 10.264 ( 0.000 10.291 0.000) 10.291 10.465 ( 0.000 3.810 0.000) 3.810 10.481 ( 0.000 2.195 0.000) 2.195 10.614 ( 0.000 -0.171 0.000) 0.171 10.838 ( 0.000 2.862 0.000) 2.862 11.071 ( 0.000 -4.741 0.000) 4.741 11.478 ( 0.000 -2.200 0.000) 2.200 11.482 ( 0.000 -15.043 0.000) 15.043 11.810 ( 0.000 -9.090 0.000) 9.090 12.009 ( 0.000 21.358 0.000) 21.358 12.137 ( 0.000 1.261 0.000) 1.261 12.396 ( 0.000 -2.622 0.000) 2.622 12.610 ( 0.000 -8.124 0.000) 8.124 13.132 ( 0.000 -13.646 0.000) 13.646 13.259 ( 0.000 -7.247 0.000) 7.247 13.417 ( 0.000 -32.874 0.000) 32.874 14.006 ( 0.000 -15.559 0.000) 15.559 14.606 ( 0.000 4.213 0.000) 4.213 14.945 ( 0.000 -6.935 0.000) 6.935 15.421 ( 0.000 3.143 0.000) 3.143 15.542 ( 0.000 10.317 0.000) 10.317 15.747 ( 0.000 -10.060 0.000) 10.060 16.071 ( 0.000 20.793 0.000) 20.793 16.497 ( 0.000 17.728 0.000) 17.728 16.557 ( 0.000 2.705 0.000) 2.705 17.117 ( 0.000 7.409 0.000) 7.409 17.235 ( 0.000 5.547 0.000) 5.547 17.291 ( 0.000 5.167 0.000) 5.167 17.749 ( 0.000 -8.977 0.000) 8.977 25.048 ( 0.000 12.495 0.000) 12.495 25.116 ( 0.000 8.578 0.000) 8.578 25.176 ( 0.000 1.666 0.000) 1.666 25.253 ( 0.000 2.124 0.000) 2.124 25.399 ( 0.000 -1.042 0.000) 1.042 25.579 ( 0.000 -2.721 0.000) 2.721 25.756 ( 0.000 0.137 0.000) 0.137 25.915 ( 0.000 -1.208 0.000) 1.208 26.081 ( 0.000 2.584 0.000) 2.584 26.340 ( 0.000 0.029 0.000) 0.029 26.486 ( 0.000 1.385 0.000) 1.385 26.545 ( 0.000 -3.011 0.000) 3.011 26.716 ( 0.000 -1.241 0.000) 1.241 26.810 ( 0.000 0.103 0.000) 0.103 27.210 ( 0.000 -5.354 0.000) 5.354 27.323 ( 0.000 -5.494 0.000) 5.494 29.028 ( 0.000 10.687 0.000) 10.687 29.584 ( 0.000 -3.323 0.000) 3.323 30.331 ( 0.000 -12.464 0.000) 12.464 30.967 ( 0.000 -5.787 0.000) 5.787 ======================= Grid point 11 (8/54) ======================= q-point: ( 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.483 32.468 0.000) 32.927 1.823 ( 16.107 29.137 0.000) 33.293 2.803 ( -2.149 -13.018 0.000) 13.194 3.011 ( 34.091 29.690 0.000) 45.207 3.028 ( -3.105 -5.124 0.000) 5.991 3.269 ( -7.335 0.650 0.000) 7.363 3.426 ( -6.080 -4.537 0.000) 7.586 3.503 ( -11.911 1.118 0.000) 11.963 3.632 ( 5.337 4.500 0.000) 6.981 3.724 ( 3.727 1.299 0.000) 3.947 3.817 ( 1.070 -4.284 0.000) 4.416 3.976 ( 5.902 6.258 0.000) 8.602 4.054 ( 1.199 -8.935 0.000) 9.015 4.261 ( 1.523 -2.149 0.000) 2.634 4.336 ( -1.140 -1.689 0.000) 2.037 4.503 ( -5.502 -2.621 0.000) 6.094 4.588 ( -5.056 8.394 0.000) 9.799 4.709 ( -7.937 3.086 0.000) 8.516 4.815 ( -2.232 3.606 0.000) 4.241 4.917 ( 0.208 -4.989 0.000) 4.994 5.009 ( -2.039 -8.150 0.000) 8.401 5.136 ( 0.981 -7.334 0.000) 7.399 5.257 ( -4.919 -10.802 0.000) 11.869 5.354 ( 1.125 -0.463 0.000) 1.216 5.414 ( 8.266 -4.912 0.000) 9.615 5.711 ( 4.323 0.465 0.000) 4.348 5.844 ( -2.244 0.176 0.000) 2.251 5.975 ( -5.227 -2.659 0.000) 5.864 6.028 ( -6.823 -2.013 0.000) 7.113 6.078 ( 1.311 -1.119 0.000) 1.724 6.169 ( -7.496 -1.479 0.000) 7.640 6.209 ( -8.361 3.147 0.000) 8.934 6.351 ( -0.792 2.611 0.000) 2.729 6.400 ( -0.074 -7.343 0.000) 7.343 6.599 ( -3.657 -3.649 0.000) 5.166 6.833 ( 9.262 3.668 0.000) 9.962 6.887 ( 5.173 0.160 0.000) 5.175 7.055 ( -0.358 -6.344 0.000) 6.354 7.117 ( 1.933 -3.016 0.000) 3.582 7.213 ( 0.484 -1.717 0.000) 1.784 7.250 ( -2.243 -3.851 0.000) 4.457 7.439 ( 4.311 1.427 0.000) 4.541 7.525 ( 2.055 -2.415 0.000) 3.171 7.649 ( -6.007 4.734 0.000) 7.649 7.703 ( 0.430 -5.440 0.000) 5.457 7.895 ( -3.864 3.815 0.000) 5.430 8.016 ( -0.884 -5.910 0.000) 5.976 8.150 ( 9.050 -1.557 0.000) 9.183 8.235 ( 1.009 -3.649 0.000) 3.786 8.497 ( -5.328 8.398 0.000) 9.946 8.732 ( -2.638 3.638 0.000) 4.494 8.772 ( 5.750 -8.080 0.000) 9.917 8.825 ( 5.283 -1.641 0.000) 5.532 8.948 ( 4.258 3.552 0.000) 5.545 9.388 ( 5.907 -2.373 0.000) 6.366 9.583 ( 6.821 7.048 0.000) 9.808 9.620 ( -1.373 3.361 0.000) 3.630 9.913 ( -3.874 -6.996 0.000) 7.997 10.044 ( 5.196 1.342 0.000) 5.367 10.201 ( 2.309 5.520 0.000) 5.984 10.353 ( 1.421 -1.685 0.000) 2.204 10.602 ( -0.481 -0.159 0.000) 0.507 10.738 ( -2.357 2.652 0.000) 3.548 10.890 ( -13.177 -6.062 0.000) 14.504 11.067 ( 14.024 -4.367 0.000) 14.688 11.242 ( -8.817 0.458 0.000) 8.829 11.478 ( -8.371 3.468 0.000) 9.061 11.749 ( -4.131 4.143 0.000) 5.851 11.915 ( -4.374 -7.572 0.000) 8.744 12.122 ( -3.737 -10.054 0.000) 10.726 12.558 ( 13.069 -19.436 0.000) 23.421 12.574 ( 0.283 -7.436 0.000) 7.442 13.058 ( -1.648 -16.606 0.000) 16.688 13.202 ( -3.936 -6.937 0.000) 7.976 13.751 ( 20.055 -26.382 0.000) 33.139 14.118 ( 8.148 -6.827 0.000) 10.630 14.613 ( -0.037 4.599 0.000) 4.599 15.006 ( 4.329 -9.848 0.000) 10.758 15.351 ( -11.620 9.230 0.000) 14.840 15.500 ( 5.189 2.969 0.000) 5.978 15.720 ( -1.545 -7.458 0.000) 7.616 16.060 ( -1.808 18.342 0.000) 18.431 16.448 ( -2.830 6.980 0.000) 7.532 16.594 ( -0.166 5.766 0.000) 5.769 17.060 ( -5.375 7.566 0.000) 9.281 17.086 ( -7.861 7.046 0.000) 10.557 17.342 ( 3.659 9.658 0.000) 10.328 17.799 ( 2.074 -3.300 0.000) 3.898 25.030 ( -4.369 9.710 0.000) 10.648 25.052 ( 0.170 12.473 0.000) 12.474 25.220 ( 2.958 2.184 0.000) 3.677 25.296 ( 2.621 1.513 0.000) 3.026 25.392 ( -0.442 -0.836 0.000) 0.946 25.510 ( -3.256 -0.529 0.000) 3.299 25.742 ( -2.619 0.435 0.000) 2.655 25.977 ( 5.634 -1.179 0.000) 5.756 26.112 ( 0.613 2.368 0.000) 2.446 26.302 ( -4.373 -0.053 0.000) 4.373 26.527 ( -0.867 1.581 0.000) 1.803 26.613 ( 5.682 -3.553 0.000) 6.702 26.738 ( 6.291 -3.017 0.000) 6.977 26.922 ( 6.483 -5.105 0.000) 8.252 27.219 ( 0.169 -6.086 0.000) 6.088 27.328 ( 0.943 -4.513 0.000) 4.611 29.061 ( 2.394 10.624 0.000) 10.891 29.660 ( 6.409 -8.736 0.000) 10.834 30.310 ( -1.556 -11.529 0.000) 11.633 30.851 ( -9.096 -4.971 0.000) 10.366 ======================= Grid point 12 (9/54) ======================= q-point: ( 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 25.074 9.572 0.000) 26.839 2.295 ( 24.211 16.122 0.000) 29.088 2.616 ( -14.995 -0.149 0.000) 14.996 2.824 ( -25.832 0.847 0.000) 25.846 2.929 ( -9.260 3.628 0.000) 9.945 3.151 ( -1.554 5.549 0.000) 5.762 3.345 ( -0.391 -6.755 0.000) 6.766 3.655 ( -0.609 -0.188 0.000) 0.637 3.757 ( -2.968 -6.423 0.000) 7.076 3.821 ( 7.812 -0.995 0.000) 7.875 4.064 ( 6.981 5.598 0.000) 8.948 4.084 ( 8.595 -1.208 0.000) 8.679 4.115 ( 12.372 15.179 0.000) 19.582 4.213 ( 6.285 5.017 0.000) 8.042 4.353 ( -1.632 -3.538 0.000) 3.896 4.444 ( -1.711 6.603 0.000) 6.821 4.529 ( 3.145 -6.024 0.000) 6.795 4.607 ( -5.649 5.895 0.000) 8.165 4.752 ( -1.762 3.025 0.000) 3.501 4.932 ( 2.394 -8.417 0.000) 8.751 4.974 ( -0.205 -5.974 0.000) 5.977 5.092 ( -5.267 -5.786 0.000) 7.824 5.215 ( -1.346 -10.014 0.000) 10.104 5.450 ( 4.287 5.741 0.000) 7.166 5.534 ( 3.725 -6.376 0.000) 7.384 5.581 ( -12.061 -4.306 0.000) 12.806 5.760 ( -8.337 1.068 0.000) 8.406 5.819 ( -6.392 -5.307 0.000) 8.308 5.966 ( 1.734 -1.338 0.000) 2.191 6.018 ( 0.827 -2.757 0.000) 2.878 6.072 ( -1.730 -0.916 0.000) 1.957 6.146 ( 0.040 0.040 0.000) 0.057 6.357 ( 2.153 6.053 0.000) 6.424 6.485 ( 3.347 -4.710 0.000) 5.778 6.531 ( -3.006 -5.678 0.000) 6.425 6.752 ( -9.352 -3.305 0.000) 9.919 6.920 ( -2.866 4.406 0.000) 5.256 7.098 ( 3.485 -10.442 0.000) 11.008 7.146 ( 0.793 3.325 0.000) 3.418 7.231 ( 4.772 -2.615 0.000) 5.442 7.247 ( 0.830 -2.472 0.000) 2.607 7.395 ( -7.560 3.967 0.000) 8.537 7.471 ( -2.405 -4.851 0.000) 5.415 7.696 ( 5.643 -0.447 0.000) 5.661 7.780 ( 3.844 4.163 0.000) 5.666 7.920 ( 4.131 6.481 0.000) 7.685 8.019 ( -0.776 -6.211 0.000) 6.259 8.202 ( -2.087 3.771 0.000) 4.310 8.342 ( -3.680 6.790 0.000) 7.723 8.459 ( 10.951 -2.518 0.000) 11.237 8.601 ( -4.234 3.180 0.000) 5.295 8.755 ( -0.222 0.676 0.000) 0.712 9.112 ( 8.038 1.607 0.000) 8.197 9.256 ( 11.439 -4.169 0.000) 12.175 9.393 ( 2.708 7.624 0.000) 8.091 9.690 ( 5.121 5.413 0.000) 7.451 9.739 ( -0.369 -9.609 0.000) 9.617 9.857 ( 6.467 -5.508 0.000) 8.495 10.032 ( -5.141 2.632 0.000) 5.776 10.152 ( -2.914 -2.491 0.000) 3.833 10.380 ( -10.119 -2.244 0.000) 10.365 10.464 ( -10.474 5.275 0.000) 11.727 10.612 ( 6.131 -6.721 0.000) 9.097 10.747 ( -8.738 -4.686 0.000) 9.915 11.014 ( -8.412 8.764 0.000) 12.147 11.143 ( 5.344 1.577 0.000) 5.572 11.495 ( 1.329 6.757 0.000) 6.886 11.709 ( -0.336 -1.581 0.000) 1.616 11.804 ( -1.521 -10.584 0.000) 10.693 12.045 ( -4.455 -22.389 0.000) 22.828 12.592 ( 1.725 -7.013 0.000) 7.222 12.820 ( 7.140 -34.507 0.000) 35.238 13.054 ( -0.614 -16.080 0.000) 16.092 13.148 ( -0.095 -7.964 0.000) 7.964 14.050 ( 5.770 -20.926 0.000) 21.707 14.340 ( 11.567 3.684 0.000) 12.139 14.563 ( -5.099 6.164 0.000) 7.999 15.011 ( -3.716 -10.672 0.000) 11.300 15.221 ( 0.322 -1.827 0.000) 1.855 15.585 ( 0.661 -7.864 0.000) 7.892 15.776 ( 7.940 7.917 0.000) 11.212 15.963 ( -7.201 13.698 0.000) 15.475 16.406 ( -0.531 2.716 0.000) 2.768 16.539 ( -3.093 3.237 0.000) 4.477 16.930 ( -3.618 6.412 0.000) 7.362 16.984 ( -2.674 10.595 0.000) 10.927 17.429 ( 2.981 15.169 0.000) 15.459 17.807 ( -0.589 1.896 0.000) 1.986 24.967 ( -1.374 9.966 0.000) 10.060 25.057 ( 0.183 12.550 0.000) 12.551 25.280 ( 1.846 2.600 0.000) 3.189 25.338 ( 0.789 -0.671 0.000) 1.036 25.392 ( 0.462 -0.765 0.000) 0.893 25.468 ( -0.696 2.210 0.000) 2.317 25.682 ( -1.886 0.523 0.000) 1.957 26.026 ( -2.914 0.922 0.000) 3.056 26.141 ( 4.443 -1.077 0.000) 4.572 26.308 ( 4.301 0.390 0.000) 4.318 26.443 ( -6.255 1.961 0.000) 6.556 26.626 ( -0.636 -0.918 0.000) 1.117 26.958 ( 8.288 -6.034 0.000) 10.252 27.014 ( 2.343 -7.240 0.000) 7.609 27.176 ( -3.928 -6.456 0.000) 7.557 27.369 ( 1.719 -1.875 0.000) 2.544 29.104 ( 1.178 12.050 0.000) 12.107 29.804 ( 4.803 -18.436 0.000) 19.052 30.284 ( -0.468 -7.049 0.000) 7.064 30.659 ( -6.303 -6.260 0.000) 8.884 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.00 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 23.730 0.000) 23.730 2.311 ( 0.000 -21.227 0.000) 21.227 2.572 ( 0.000 29.237 0.000) 29.237 2.933 ( 0.000 -14.879 0.000) 14.879 3.064 ( 0.000 -19.506 0.000) 19.506 3.192 ( 0.000 23.472 0.000) 23.472 3.338 ( 0.000 -3.211 0.000) 3.211 3.449 ( 0.000 -6.513 0.000) 6.513 3.656 ( 0.000 -2.468 0.000) 2.468 3.772 ( 0.000 10.016 0.000) 10.016 3.899 ( 0.000 5.883 0.000) 5.883 3.976 ( 0.000 0.783 0.000) 0.783 3.992 ( 0.000 6.716 0.000) 6.716 4.146 ( 0.000 -0.490 0.000) 0.490 4.488 ( 0.000 9.089 0.000) 9.089 4.616 ( 0.000 -8.109 0.000) 8.109 4.700 ( 0.000 1.438 0.000) 1.438 4.723 ( 0.000 -1.134 0.000) 1.134 4.838 ( 0.000 -8.704 0.000) 8.704 4.879 ( 0.000 -9.358 0.000) 9.358 4.969 ( 0.000 -0.761 0.000) 0.761 5.035 ( 0.000 8.046 0.000) 8.046 5.192 ( 0.000 -8.201 0.000) 8.201 5.284 ( 0.000 4.552 0.000) 4.552 5.368 ( 0.000 7.100 0.000) 7.100 5.790 ( 0.000 -2.937 0.000) 2.937 5.831 ( 0.000 2.610 0.000) 2.610 5.909 ( 0.000 -4.126 0.000) 4.126 5.970 ( 0.000 -2.506 0.000) 2.506 6.084 ( 0.000 -0.823 0.000) 0.823 6.143 ( 0.000 -12.105 0.000) 12.105 6.254 ( 0.000 -3.042 0.000) 3.042 6.433 ( 0.000 3.723 0.000) 3.723 6.567 ( 0.000 -2.771 0.000) 2.771 6.645 ( 0.000 4.929 0.000) 4.929 6.690 ( 0.000 4.036 0.000) 4.036 6.701 ( 0.000 -9.583 0.000) 9.583 6.799 ( 0.000 3.136 0.000) 3.136 7.076 ( 0.000 -1.984 0.000) 1.984 7.170 ( 0.000 -1.371 0.000) 1.371 7.186 ( 0.000 -3.094 0.000) 3.094 7.344 ( 0.000 -0.561 0.000) 0.561 7.478 ( 0.000 -4.440 0.000) 4.440 7.562 ( 0.000 -6.717 0.000) 6.717 7.633 ( 0.000 -8.959 0.000) 8.959 7.935 ( 0.000 -4.571 0.000) 4.571 8.035 ( 0.000 11.806 0.000) 11.806 8.074 ( 0.000 1.062 0.000) 1.062 8.210 ( 0.000 -2.886 0.000) 2.886 8.497 ( 0.000 0.126 0.000) 0.126 8.580 ( 0.000 -1.751 0.000) 1.751 8.775 ( 0.000 6.378 0.000) 6.378 9.052 ( 0.000 2.781 0.000) 2.781 9.078 ( 0.000 -7.556 0.000) 7.556 9.238 ( 0.000 4.567 0.000) 4.567 9.513 ( 0.000 2.080 0.000) 2.080 9.702 ( 0.000 8.023 0.000) 8.023 9.794 ( 0.000 -9.822 0.000) 9.822 9.847 ( 0.000 -4.392 0.000) 4.392 10.399 ( 0.000 -0.728 0.000) 0.728 10.520 ( 0.000 5.051 0.000) 5.051 10.525 ( 0.000 1.095 0.000) 1.095 10.571 ( 0.000 -4.266 0.000) 4.266 10.784 ( 0.000 -7.472 0.000) 7.472 11.067 ( 0.000 4.197 0.000) 4.197 11.112 ( 0.000 -15.281 0.000) 15.281 11.449 ( 0.000 -0.113 0.000) 0.113 11.739 ( 0.000 -0.387 0.000) 0.387 12.172 ( 0.000 1.157 0.000) 1.157 12.328 ( 0.000 -3.817 0.000) 3.817 12.435 ( 0.000 0.770 0.000) 0.770 12.473 ( 0.000 10.736 0.000) 10.736 12.796 ( 0.000 -14.601 0.000) 14.601 12.800 ( 0.000 -24.855 0.000) 24.855 13.169 ( 0.000 -3.365 0.000) 3.365 13.709 ( 0.000 -12.700 0.000) 12.700 14.675 ( 0.000 2.534 0.000) 2.534 14.771 ( 0.000 -8.677 0.000) 8.677 15.490 ( 0.000 3.053 0.000) 3.053 15.624 ( 0.000 0.099 0.000) 0.099 15.839 ( 0.000 16.209 0.000) 16.209 16.471 ( 0.000 16.644 0.000) 16.644 16.575 ( 0.000 -1.469 0.000) 1.469 16.765 ( 0.000 8.386 0.000) 8.386 17.229 ( 0.000 3.158 0.000) 3.158 17.367 ( 0.000 6.646 0.000) 6.646 17.373 ( 0.000 1.705 0.000) 1.705 17.534 ( 0.000 -10.452 0.000) 10.452 25.225 ( 0.000 2.784 0.000) 2.784 25.258 ( 0.000 5.259 0.000) 5.259 25.295 ( 0.000 1.873 0.000) 1.873 25.305 ( 0.000 10.009 0.000) 10.009 25.378 ( 0.000 -0.467 0.000) 0.467 25.557 ( 0.000 0.620 0.000) 0.620 25.761 ( 0.000 0.402 0.000) 0.402 25.889 ( 0.000 -1.213 0.000) 1.213 26.114 ( 0.000 1.022 0.000) 1.022 26.340 ( 0.000 -0.016 0.000) 0.016 26.469 ( 0.000 -4.113 0.000) 4.113 26.472 ( 0.000 -2.588 0.000) 2.588 26.702 ( 0.000 0.046 0.000) 0.046 26.808 ( 0.000 -0.447 0.000) 0.447 27.080 ( 0.000 -6.819 0.000) 6.819 27.194 ( 0.000 -6.178 0.000) 6.178 29.242 ( 0.000 7.040 0.000) 7.040 29.554 ( 0.000 2.270 0.000) 2.270 30.095 ( 0.000 -9.349 0.000) 9.349 30.860 ( 0.000 -4.226 0.000) 4.226 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.20 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 1.094 14.392 0.000) 14.434 2.356 ( -4.751 17.772 0.000) 18.396 2.494 ( 13.053 -5.871 0.000) 14.313 2.887 ( -1.365 -8.647 0.000) 8.754 3.069 ( -2.388 -10.285 0.000) 10.559 3.261 ( -4.261 2.029 0.000) 4.719 3.407 ( -2.286 -6.272 0.000) 6.676 3.563 ( 9.499 2.874 0.000) 9.924 3.661 ( 3.791 0.927 0.000) 3.902 3.774 ( -4.723 1.904 0.000) 5.092 3.924 ( 9.555 11.743 0.000) 15.140 3.972 ( 3.022 3.148 0.000) 4.364 4.149 ( 10.574 6.047 0.000) 12.181 4.218 ( 6.451 -3.203 0.000) 7.202 4.412 ( -9.359 4.632 0.000) 10.443 4.466 ( -5.007 0.306 0.000) 5.017 4.679 ( -2.939 -2.474 0.000) 3.842 4.721 ( -0.299 2.904 0.000) 2.920 4.748 ( -4.452 -4.955 0.000) 6.662 4.909 ( 0.881 -0.364 0.000) 0.953 4.948 ( -1.939 -4.188 0.000) 4.615 5.034 ( 0.152 4.947 0.000) 4.949 5.108 ( -8.518 -6.815 0.000) 10.909 5.284 ( 0.401 2.765 0.000) 2.794 5.475 ( 9.054 5.919 0.000) 10.817 5.630 ( -7.431 -7.418 0.000) 10.500 5.826 ( -1.152 -2.207 0.000) 2.489 5.876 ( -1.782 -2.432 0.000) 3.014 5.983 ( -3.607 -5.683 0.000) 6.731 6.046 ( -3.924 -4.426 0.000) 5.915 6.118 ( -3.964 -1.369 0.000) 4.194 6.204 ( -4.912 -2.441 0.000) 5.485 6.340 ( -4.243 3.408 0.000) 5.442 6.444 ( -1.647 0.450 0.000) 1.707 6.521 ( -0.112 2.049 0.000) 2.052 6.734 ( 2.375 -11.788 0.000) 12.025 6.920 ( 6.332 -0.367 0.000) 6.343 7.007 ( 1.476 1.421 0.000) 2.048 7.092 ( 2.010 4.090 0.000) 4.558 7.194 ( 3.994 0.006 0.000) 3.994 7.234 ( 3.890 1.647 0.000) 4.224 7.404 ( -2.205 -5.392 0.000) 5.825 7.490 ( 7.917 -2.670 0.000) 8.355 7.568 ( -0.548 -3.549 0.000) 3.591 7.714 ( 5.659 -0.169 0.000) 5.662 7.906 ( -0.924 -2.475 0.000) 2.642 8.047 ( 3.505 7.348 0.000) 8.141 8.110 ( 2.310 -1.343 0.000) 2.672 8.157 ( 2.720 -2.798 0.000) 3.902 8.530 ( -5.329 -6.910 0.000) 8.726 8.720 ( 0.573 4.345 0.000) 4.383 8.756 ( 11.844 -1.692 0.000) 11.965 8.850 ( -1.968 4.547 0.000) 4.954 9.091 ( -5.353 8.460 0.000) 10.011 9.288 ( 9.932 -6.042 0.000) 11.625 9.596 ( -4.885 -10.153 0.000) 11.267 9.720 ( 5.006 3.959 0.000) 6.382 9.774 ( -1.879 -0.091 0.000) 1.881 9.988 ( 8.741 -5.155 0.000) 10.148 10.312 ( -5.812 3.787 0.000) 6.937 10.329 ( -4.595 -1.755 0.000) 4.919 10.585 ( -1.742 -1.425 0.000) 2.250 10.706 ( 0.004 -5.158 0.000) 5.158 10.849 ( -9.073 3.726 0.000) 9.808 10.975 ( 14.975 -4.919 0.000) 15.763 11.216 ( 2.334 -4.712 0.000) 5.259 11.428 ( -1.136 -2.167 0.000) 2.447 11.651 ( -9.277 -4.050 0.000) 10.123 11.956 ( -15.930 -7.323 0.000) 17.532 11.995 ( -23.973 1.658 0.000) 24.030 12.304 ( -0.757 -5.794 0.000) 5.844 12.469 ( 1.860 -3.983 0.000) 4.396 12.747 ( 1.925 -9.866 0.000) 10.051 12.986 ( -3.080 -15.029 0.000) 15.342 13.361 ( 21.173 -9.090 0.000) 23.042 14.051 ( 21.866 -0.297 0.000) 21.868 14.681 ( 0.325 1.854 0.000) 1.882 14.800 ( 2.590 -9.055 0.000) 9.418 15.528 ( -2.402 1.244 0.000) 2.705 15.610 ( -4.855 10.637 0.000) 11.693 15.692 ( -2.113 7.798 0.000) 8.080 16.399 ( -6.127 12.366 0.000) 13.801 16.532 ( -4.229 2.336 0.000) 4.831 16.669 ( -6.085 1.338 0.000) 6.231 17.157 ( -8.080 1.244 0.000) 8.175 17.230 ( -2.458 6.198 0.000) 6.667 17.524 ( 7.499 7.269 0.000) 10.444 17.664 ( 7.115 -7.975 0.000) 10.688 25.186 ( -2.810 5.181 0.000) 5.894 25.268 ( 1.201 5.753 0.000) 5.877 25.311 ( 0.905 3.305 0.000) 3.427 25.334 ( 2.056 5.566 0.000) 5.934 25.377 ( 0.054 0.258 0.000) 0.264 25.524 ( -1.169 1.981 0.000) 2.300 25.755 ( -2.123 0.922 0.000) 2.315 25.948 ( 5.530 -1.468 0.000) 5.722 26.133 ( 0.109 -0.061 0.000) 0.125 26.305 ( -4.310 0.161 0.000) 4.313 26.507 ( 6.533 -3.465 0.000) 7.395 26.537 ( 3.079 -2.698 0.000) 4.094 26.689 ( -1.047 -2.182 0.000) 2.420 26.836 ( 2.483 -3.308 0.000) 4.136 27.071 ( -1.347 -7.836 0.000) 7.951 27.231 ( 3.496 -4.281 0.000) 5.527 29.274 ( 2.892 6.363 0.000) 6.990 29.551 ( -0.755 0.124 0.000) 0.765 30.109 ( 1.874 -7.292 0.000) 7.529 30.754 ( -8.939 -3.897 0.000) 9.752 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.40 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.271 5.478 0.000) 5.484 2.529 ( 10.909 2.983 0.000) 11.310 2.724 ( 2.554 8.005 0.000) 8.402 2.890 ( -0.051 5.203 0.000) 5.204 2.959 ( -1.826 5.040 0.000) 5.361 3.212 ( -1.819 -1.437 0.000) 2.318 3.319 ( -3.126 5.638 0.000) 6.447 3.594 ( -4.145 -7.212 0.000) 8.318 3.604 ( -0.364 -4.332 0.000) 4.347 3.804 ( 2.922 -2.284 0.000) 3.708 3.897 ( -2.068 -8.254 0.000) 8.509 4.016 ( -8.406 0.179 0.000) 8.408 4.228 ( 0.832 -2.858 0.000) 2.976 4.347 ( -0.537 -1.589 0.000) 1.678 4.480 ( 4.629 4.084 0.000) 6.173 4.560 ( 9.134 3.463 0.000) 9.769 4.585 ( -1.287 4.788 0.000) 4.958 4.748 ( 5.511 -3.907 0.000) 6.755 4.768 ( 1.619 1.655 0.000) 2.316 4.851 ( 1.771 -2.219 0.000) 2.839 4.888 ( -3.453 11.476 0.000) 11.984 5.003 ( 1.171 -5.765 0.000) 5.883 5.065 ( 0.689 2.367 0.000) 2.466 5.356 ( 3.006 -8.171 0.000) 8.706 5.488 ( -2.972 -0.311 0.000) 2.989 5.607 ( 4.336 6.425 0.000) 7.751 5.733 ( -8.197 -1.109 0.000) 8.272 5.824 ( -9.086 1.375 0.000) 9.189 5.917 ( 1.355 -3.631 0.000) 3.875 5.933 ( -3.055 -5.647 0.000) 6.420 6.026 ( -0.710 -2.737 0.000) 2.827 6.145 ( 0.144 -1.372 0.000) 1.380 6.343 ( 0.552 -0.608 0.000) 0.821 6.426 ( 0.270 -1.818 0.000) 1.838 6.585 ( 3.201 6.409 0.000) 7.164 6.739 ( -10.526 -0.240 0.000) 10.528 6.774 ( -1.726 -13.482 0.000) 13.592 6.972 ( -1.531 1.953 0.000) 2.482 7.207 ( 4.036 -1.993 0.000) 4.501 7.231 ( -0.026 0.608 0.000) 0.609 7.280 ( 3.484 5.648 0.000) 6.636 7.384 ( 1.515 -1.216 0.000) 1.943 7.490 ( -6.339 4.360 0.000) 7.693 7.678 ( -1.656 0.155 0.000) 1.664 7.824 ( 4.992 -3.846 0.000) 6.301 7.915 ( 5.566 1.471 0.000) 5.757 8.049 ( 3.508 3.683 0.000) 5.087 8.223 ( -0.181 -1.823 0.000) 1.832 8.369 ( -0.923 -1.013 0.000) 1.371 8.483 ( 14.538 0.849 0.000) 14.563 8.698 ( -8.390 5.680 0.000) 10.132 8.787 ( 2.819 1.713 0.000) 3.299 9.078 ( 1.455 -4.697 0.000) 4.917 9.187 ( 20.618 -0.585 0.000) 20.627 9.387 ( -8.250 -17.389 0.000) 19.247 9.570 ( 13.014 -0.741 0.000) 13.035 9.704 ( -0.330 0.910 0.000) 0.968 9.889 ( 5.363 5.375 0.000) 7.593 10.001 ( -12.066 -6.648 0.000) 13.776 10.107 ( -7.394 -1.370 0.000) 7.520 10.308 ( -5.659 -0.930 0.000) 5.735 10.426 ( -1.309 -8.995 0.000) 9.089 10.637 ( -6.965 -1.844 0.000) 7.205 10.710 ( -3.910 10.887 0.000) 11.567 11.120 ( 0.505 0.057 0.000) 0.508 11.159 ( -8.529 0.473 0.000) 8.542 11.450 ( -1.341 -10.359 0.000) 10.445 11.545 ( 11.764 -7.110 0.000) 13.746 11.711 ( -4.619 -2.315 0.000) 5.167 11.730 ( -6.394 -9.134 0.000) 11.150 12.268 ( -2.934 -16.598 0.000) 16.855 12.508 ( 1.610 -4.335 0.000) 4.624 12.813 ( 2.241 -6.329 0.000) 6.714 12.892 ( -2.806 -15.419 0.000) 15.672 13.749 ( 10.543 -7.245 0.000) 12.792 14.481 ( 17.114 8.898 0.000) 19.289 14.676 ( -1.049 2.524 0.000) 2.733 14.817 ( -4.571 -5.936 0.000) 7.492 15.352 ( -7.257 12.679 0.000) 14.609 15.426 ( -4.281 -5.569 0.000) 7.024 15.922 ( 13.670 5.698 0.000) 14.810 16.209 ( -11.345 9.186 0.000) 14.597 16.438 ( -2.668 0.539 0.000) 2.722 16.562 ( -3.190 -1.361 0.000) 3.468 17.001 ( -4.472 -0.199 0.000) 4.476 17.203 ( -0.510 9.772 0.000) 9.785 17.662 ( 4.164 7.534 0.000) 8.608 17.760 ( 1.574 -4.857 0.000) 5.105 25.139 ( -1.160 6.377 0.000) 6.482 25.286 ( 0.402 8.083 0.000) 8.093 25.319 ( -0.004 -0.707 0.000) 0.707 25.371 ( 0.345 -0.391 0.000) 0.521 25.394 ( 1.616 7.384 0.000) 7.559 25.533 ( 1.279 3.734 0.000) 3.947 25.695 ( -2.166 0.946 0.000) 2.364 26.026 ( -2.079 -1.392 0.000) 2.502 26.123 ( 3.383 -0.574 0.000) 3.431 26.309 ( 4.076 0.203 0.000) 4.081 26.450 ( -7.064 -0.875 0.000) 7.118 26.611 ( 0.674 -0.526 0.000) 0.855 26.787 ( 6.977 -9.457 0.000) 11.752 26.881 ( 1.132 -5.640 0.000) 5.752 27.012 ( -3.483 -8.725 0.000) 9.394 27.319 ( 3.161 -2.588 0.000) 4.085 29.360 ( 4.394 8.059 0.000) 9.179 29.499 ( -3.682 -7.207 0.000) 8.093 30.199 ( 5.679 -1.579 0.000) 5.895 30.530 ( -9.301 -5.296 0.000) 10.703 ======================= Grid point 20 (13/54) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 -15.437 0.000) 15.437 2.482 ( 0.000 -1.100 0.000) 1.100 2.533 ( 0.000 -17.522 0.000) 17.522 2.609 ( 0.000 -9.931 0.000) 9.931 3.231 ( 0.000 20.555 0.000) 20.555 3.336 ( 0.000 5.775 0.000) 5.775 3.409 ( 0.000 4.182 0.000) 4.182 3.514 ( 0.000 2.341 0.000) 2.341 3.627 ( 0.000 -1.201 0.000) 1.201 3.907 ( 0.000 3.869 0.000) 3.869 3.970 ( 0.000 2.260 0.000) 2.260 4.065 ( 0.000 7.672 0.000) 7.672 4.107 ( 0.000 4.269 0.000) 4.269 4.219 ( 0.000 5.779 0.000) 5.779 4.434 ( 0.000 -6.055 0.000) 6.055 4.549 ( 0.000 -9.621 0.000) 9.621 4.637 ( 0.000 -5.818 0.000) 5.818 4.669 ( 0.000 -2.755 0.000) 2.755 4.797 ( 0.000 -7.055 0.000) 7.055 4.817 ( 0.000 10.994 0.000) 10.994 4.960 ( 0.000 -0.457 0.000) 0.457 4.986 ( 0.000 1.235 0.000) 1.235 5.230 ( 0.000 0.670 0.000) 0.670 5.420 ( 0.000 8.135 0.000) 8.135 5.447 ( 0.000 0.202 0.000) 0.202 5.683 ( 0.000 -7.857 0.000) 7.857 5.760 ( 0.000 -6.656 0.000) 6.656 5.880 ( 0.000 5.573 0.000) 5.573 5.944 ( 0.000 -0.904 0.000) 0.904 6.059 ( 0.000 2.110 0.000) 2.110 6.064 ( 0.000 -8.378 0.000) 8.378 6.178 ( 0.000 2.035 0.000) 2.035 6.379 ( 0.000 -11.517 0.000) 11.517 6.496 ( 0.000 2.279 0.000) 2.279 6.591 ( 0.000 -2.459 0.000) 2.459 6.646 ( 0.000 -0.831 0.000) 0.831 6.817 ( 0.000 2.780 0.000) 2.780 6.926 ( 0.000 0.532 0.000) 0.532 7.113 ( 0.000 6.572 0.000) 6.572 7.144 ( 0.000 3.971 0.000) 3.971 7.199 ( 0.000 4.867 0.000) 4.867 7.286 ( 0.000 -0.350 0.000) 0.350 7.433 ( 0.000 -1.451 0.000) 1.451 7.466 ( 0.000 -3.491 0.000) 3.491 7.603 ( 0.000 2.970 0.000) 2.970 7.833 ( 0.000 -4.462 0.000) 4.462 8.100 ( 0.000 -5.100 0.000) 5.100 8.105 ( 0.000 1.500 0.000) 1.500 8.230 ( 0.000 3.415 0.000) 3.415 8.381 ( 0.000 -6.968 0.000) 6.968 8.636 ( 0.000 3.191 0.000) 3.191 8.840 ( 0.000 -0.957 0.000) 0.957 8.944 ( 0.000 -4.801 0.000) 4.801 9.040 ( 0.000 -2.085 0.000) 2.085 9.368 ( 0.000 6.079 0.000) 6.079 9.563 ( 0.000 2.690 0.000) 2.690 9.608 ( 0.000 -5.346 0.000) 5.346 9.795 ( 0.000 -1.068 0.000) 1.068 9.835 ( 0.000 4.079 0.000) 4.079 10.284 ( 0.000 -7.590 0.000) 7.590 10.426 ( 0.000 -6.923 0.000) 6.923 10.522 ( 0.000 -1.969 0.000) 1.969 10.630 ( 0.000 2.662 0.000) 2.662 10.643 ( 0.000 -3.722 0.000) 3.722 10.939 ( 0.000 -2.386 0.000) 2.386 11.174 ( 0.000 5.375 0.000) 5.375 11.465 ( 0.000 0.939 0.000) 0.939 11.745 ( 0.000 0.612 0.000) 0.612 12.153 ( 0.000 -3.502 0.000) 3.502 12.259 ( 0.000 -2.207 0.000) 2.207 12.329 ( 0.000 -4.401 0.000) 4.401 12.438 ( 0.000 -9.081 0.000) 9.081 12.445 ( 0.000 -10.405 0.000) 10.405 12.851 ( 0.000 10.929 0.000) 10.929 13.098 ( 0.000 -3.502 0.000) 3.502 13.496 ( 0.000 -7.404 0.000) 7.404 14.617 ( 0.000 -5.544 0.000) 5.544 14.716 ( 0.000 1.382 0.000) 1.382 15.540 ( 0.000 1.642 0.000) 1.642 15.715 ( 0.000 7.355 0.000) 7.355 16.207 ( 0.000 17.959 0.000) 17.959 16.493 ( 0.000 -5.791 0.000) 5.791 16.740 ( 0.000 8.833 0.000) 8.833 16.874 ( 0.000 2.812 0.000) 2.812 17.148 ( 0.000 -13.049 0.000) 13.049 17.328 ( 0.000 -0.179 0.000) 0.179 17.464 ( 0.000 0.980 0.000) 0.980 17.487 ( 0.000 4.333 0.000) 4.333 25.281 ( 0.000 2.358 0.000) 2.358 25.317 ( 0.000 1.232 0.000) 1.232 25.326 ( 0.000 1.016 0.000) 1.016 25.348 ( 0.000 -0.847 0.000) 0.847 25.494 ( 0.000 6.196 0.000) 6.196 25.587 ( 0.000 1.453 0.000) 1.453 25.772 ( 0.000 0.595 0.000) 0.595 25.867 ( 0.000 -0.851 0.000) 0.851 26.135 ( 0.000 1.125 0.000) 1.125 26.340 ( 0.000 0.054 0.000) 0.054 26.389 ( 0.000 -3.176 0.000) 3.176 26.395 ( 0.000 -4.070 0.000) 4.070 26.720 ( 0.000 1.598 0.000) 1.598 26.796 ( 0.000 -0.477 0.000) 0.477 26.942 ( 0.000 -6.045 0.000) 6.045 27.090 ( 0.000 -3.515 0.000) 3.515 29.279 ( 0.000 -1.199 0.000) 1.199 29.687 ( 0.000 7.731 0.000) 7.731 29.952 ( 0.000 -4.689 0.000) 4.689 30.796 ( 0.000 -1.898 0.000) 1.898 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 14.249 -11.499 0.000) 18.311 2.426 ( -6.366 -8.900 0.000) 10.942 2.615 ( 11.013 1.183 0.000) 11.077 2.700 ( 7.001 -8.607 0.000) 11.095 3.143 ( -1.566 15.718 0.000) 15.796 3.333 ( -0.135 5.379 0.000) 5.380 3.451 ( -0.810 7.410 0.000) 7.454 3.555 ( 0.730 0.108 0.000) 0.738 3.622 ( -1.768 -5.848 0.000) 6.109 3.835 ( -9.192 4.393 0.000) 10.188 4.029 ( 2.254 0.874 0.000) 2.418 4.081 ( -3.507 2.909 0.000) 4.556 4.171 ( 13.628 0.159 0.000) 13.629 4.206 ( -0.406 1.238 0.000) 1.303 4.412 ( -3.516 -2.717 0.000) 4.443 4.435 ( -6.936 -5.206 0.000) 8.672 4.618 ( -2.422 -6.653 0.000) 7.080 4.698 ( -2.033 -0.531 0.000) 2.101 4.728 ( 1.795 -0.780 0.000) 1.957 4.896 ( -4.162 -3.382 0.000) 5.363 4.953 ( 8.442 7.402 0.000) 11.227 5.024 ( 4.838 4.002 0.000) 6.279 5.194 ( -3.144 4.177 0.000) 5.228 5.334 ( -5.982 -1.648 0.000) 6.205 5.519 ( -5.924 -3.127 0.000) 6.699 5.622 ( 8.758 7.218 0.000) 11.350 5.790 ( -1.419 -4.017 0.000) 4.261 5.828 ( -2.540 0.367 0.000) 2.566 5.892 ( -2.764 1.293 0.000) 3.051 5.966 ( -0.703 -1.758 0.000) 1.893 6.081 ( -1.608 -2.060 0.000) 2.613 6.161 ( -7.931 -2.837 0.000) 8.423 6.335 ( -2.253 -5.077 0.000) 5.555 6.490 ( -5.023 -0.642 0.000) 5.064 6.503 ( -0.837 0.691 0.000) 1.086 6.662 ( 4.033 3.527 0.000) 5.358 6.861 ( 2.054 -4.339 0.000) 4.801 7.012 ( -0.402 0.285 0.000) 0.493 7.156 ( 0.652 -0.816 0.000) 1.045 7.185 ( 4.929 -1.422 0.000) 5.130 7.322 ( 15.936 4.850 0.000) 16.658 7.330 ( -5.985 -2.114 0.000) 6.348 7.429 ( 2.625 4.414 0.000) 5.135 7.584 ( 6.736 2.352 0.000) 7.135 7.673 ( 9.413 -1.896 0.000) 9.602 7.896 ( 5.486 -1.538 0.000) 5.697 8.036 ( -1.112 -3.780 0.000) 3.941 8.162 ( 6.805 4.507 0.000) 8.162 8.185 ( -0.836 2.992 0.000) 3.106 8.412 ( -12.058 -2.790 0.000) 12.376 8.640 ( 14.662 -7.508 0.000) 16.472 8.826 ( -6.533 2.641 0.000) 7.047 8.945 ( 5.999 3.640 0.000) 7.017 9.153 ( 8.418 -6.772 0.000) 10.804 9.243 ( -9.955 1.770 0.000) 10.111 9.320 ( -14.800 -7.139 0.000) 16.432 9.760 ( 7.447 1.033 0.000) 7.518 9.840 ( -0.333 0.538 0.000) 0.633 9.891 ( 6.676 -1.186 0.000) 6.781 10.210 ( -6.127 -6.820 0.000) 9.168 10.386 ( -6.564 2.070 0.000) 6.883 10.585 ( 3.423 1.091 0.000) 3.593 10.624 ( 3.103 -2.264 0.000) 3.842 10.846 ( 12.032 -5.816 0.000) 13.364 10.951 ( -1.363 3.773 0.000) 4.012 11.120 ( -0.333 -2.310 0.000) 2.334 11.466 ( -2.881 3.714 0.000) 4.700 11.606 ( -12.695 -0.980 0.000) 12.732 11.796 ( -17.957 -6.603 0.000) 19.133 11.945 ( -26.389 -4.413 0.000) 26.755 12.193 ( -5.740 -4.905 0.000) 7.550 12.392 ( 2.123 -2.982 0.000) 3.660 12.623 ( -0.202 -7.562 0.000) 7.564 12.763 ( -0.516 -1.727 0.000) 1.803 13.266 ( 19.847 -2.151 0.000) 19.964 14.070 ( 32.897 1.334 0.000) 32.924 14.622 ( 0.341 -5.492 0.000) 5.502 14.730 ( 1.585 0.935 0.000) 1.841 15.613 ( -6.619 6.418 0.000) 9.220 15.690 ( 9.982 1.705 0.000) 10.126 16.031 ( -14.619 17.780 0.000) 23.019 16.460 ( -2.677 -3.623 0.000) 4.504 16.646 ( -8.275 6.233 0.000) 10.360 16.670 ( -12.198 -0.687 0.000) 12.217 17.076 ( -8.120 -8.748 0.000) 11.936 17.334 ( 1.417 3.619 0.000) 3.886 17.533 ( 7.221 -3.166 0.000) 7.884 17.642 ( 7.954 3.606 0.000) 8.733 25.267 ( -1.416 2.895 0.000) 3.223 25.317 ( -0.511 -0.055 0.000) 0.514 25.345 ( 2.243 1.519 0.000) 2.709 25.357 ( 0.714 0.060 0.000) 0.716 25.507 ( 1.345 6.026 0.000) 6.174 25.573 ( 0.072 2.057 0.000) 2.059 25.781 ( -1.089 1.386 0.000) 1.762 25.920 ( 4.599 -1.130 0.000) 4.736 26.118 ( -1.925 -1.126 0.000) 2.231 26.307 ( -1.392 0.198 0.000) 1.406 26.440 ( 7.028 -2.837 0.000) 7.579 26.474 ( 2.585 -2.777 0.000) 3.794 26.654 ( -4.695 -0.985 0.000) 4.797 26.789 ( -0.563 -0.881 0.000) 1.045 26.913 ( -2.353 -6.704 0.000) 7.105 27.163 ( 5.442 -2.173 0.000) 5.860 29.275 ( -0.323 -2.702 0.000) 2.722 29.674 ( -1.374 7.559 0.000) 7.683 30.004 ( 5.275 -3.111 0.000) 6.124 30.697 ( -8.567 -1.547 0.000) 8.706 ======================= Grid point 22 (15/54) ======================= q-point: ( 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -3.927 3.605 0.000) 5.331 2.458 ( 19.001 -5.545 0.000) 19.794 2.803 ( -2.669 0.813 0.000) 2.790 2.960 ( 15.786 -2.071 0.000) 15.921 3.161 ( 2.253 9.282 0.000) 9.552 3.253 ( -4.528 6.872 0.000) 8.229 3.408 ( -2.581 -0.323 0.000) 2.601 3.516 ( -5.402 0.460 0.000) 5.422 3.584 ( -6.634 2.362 0.000) 7.042 3.700 ( 6.970 -0.749 0.000) 7.010 3.814 ( -10.381 -2.269 0.000) 10.626 4.071 ( -8.116 0.999 0.000) 8.178 4.163 ( -3.088 0.744 0.000) 3.176 4.312 ( 3.759 -1.487 0.000) 4.042 4.390 ( 2.764 -12.034 0.000) 12.347 4.447 ( 1.765 -5.029 0.000) 5.329 4.601 ( 0.890 -6.370 0.000) 6.432 4.652 ( 0.630 -3.853 0.000) 3.904 4.743 ( -5.677 -2.352 0.000) 6.145 4.859 ( 2.338 2.923 0.000) 3.743 5.019 ( -3.841 -0.010 0.000) 3.841 5.049 ( -0.037 5.310 0.000) 5.310 5.254 ( 10.351 9.539 0.000) 14.076 5.326 ( 3.668 5.243 0.000) 6.399 5.523 ( 3.833 2.608 0.000) 4.636 5.690 ( -7.765 -3.120 0.000) 8.369 5.747 ( 1.363 6.367 0.000) 6.512 5.810 ( 0.675 -0.820 0.000) 1.062 5.827 ( -1.773 0.278 0.000) 1.795 5.904 ( -7.104 0.507 0.000) 7.122 5.972 ( 1.066 -2.721 0.000) 2.923 6.128 ( 1.208 -0.141 0.000) 1.216 6.342 ( 2.255 -6.035 0.000) 6.442 6.401 ( -2.284 0.427 0.000) 2.323 6.468 ( -2.851 -7.162 0.000) 7.709 6.656 ( -6.306 1.652 0.000) 6.519 6.881 ( -0.803 4.846 0.000) 4.912 7.014 ( 8.098 0.249 0.000) 8.102 7.159 ( -3.174 0.482 0.000) 3.210 7.208 ( -2.415 -1.470 0.000) 2.827 7.294 ( 2.443 -1.323 0.000) 2.779 7.473 ( 1.828 -1.615 0.000) 2.440 7.530 ( 1.313 6.885 0.000) 7.009 7.729 ( -1.290 1.138 0.000) 1.720 7.786 ( 7.386 2.759 0.000) 7.884 7.992 ( -4.650 6.077 0.000) 7.652 8.101 ( 4.555 1.747 0.000) 4.878 8.137 ( 5.573 -4.494 0.000) 7.159 8.333 ( 2.473 -4.601 0.000) 5.224 8.439 ( 14.154 -2.434 0.000) 14.362 8.792 ( -2.493 -1.064 0.000) 2.711 8.828 ( -4.435 4.649 0.000) 6.425 8.929 ( -13.225 -13.029 0.000) 18.565 9.110 ( 1.175 -1.439 0.000) 1.858 9.177 ( 21.373 -0.612 0.000) 21.382 9.409 ( 13.263 -10.063 0.000) 16.648 9.761 ( -10.113 -7.525 0.000) 12.606 9.866 ( -4.502 4.734 0.000) 6.533 9.999 ( 11.514 3.070 0.000) 11.916 10.100 ( -13.611 0.471 0.000) 13.619 10.236 ( -6.534 -6.784 0.000) 9.419 10.348 ( -7.566 1.920 0.000) 7.806 10.616 ( -9.864 0.864 0.000) 9.901 10.948 ( 3.320 8.849 0.000) 9.451 11.035 ( 4.400 -5.009 0.000) 6.667 11.169 ( -9.016 -0.050 0.000) 9.016 11.262 ( 0.848 -6.692 0.000) 6.746 11.466 ( 6.042 -1.380 0.000) 6.198 11.603 ( -3.420 -4.382 0.000) 5.558 11.628 ( -5.361 -3.081 0.000) 6.183 12.033 ( -8.308 -7.194 0.000) 10.990 12.435 ( 1.811 -2.616 0.000) 3.182 12.566 ( -3.127 -12.520 0.000) 12.905 12.783 ( 1.655 0.327 0.000) 1.687 13.681 ( 12.725 -1.045 0.000) 12.768 14.602 ( 3.166 -2.833 0.000) 4.248 14.684 ( 12.169 6.453 0.000) 13.774 14.814 ( 8.839 1.625 0.000) 8.988 15.360 ( -13.778 0.384 0.000) 13.783 15.694 ( -10.602 16.714 0.000) 19.793 16.011 ( 15.751 2.914 0.000) 16.018 16.340 ( -11.806 3.311 0.000) 12.262 16.439 ( -5.133 -0.126 0.000) 5.134 16.493 ( -3.899 -4.164 0.000) 5.704 16.908 ( -5.025 -8.045 0.000) 9.485 17.367 ( 1.014 5.622 0.000) 5.712 17.657 ( 3.158 -3.445 0.000) 4.673 17.771 ( 3.255 2.853 0.000) 4.329 25.240 ( -0.742 3.446 0.000) 3.525 25.306 ( -0.358 -0.508 0.000) 0.621 25.358 ( 0.042 -0.392 0.000) 0.394 25.399 ( 1.363 3.378 0.000) 3.643 25.552 ( 2.157 5.976 0.000) 6.353 25.605 ( 2.085 2.687 0.000) 3.401 25.727 ( -2.547 2.082 0.000) 3.290 25.966 ( -2.114 -3.834 0.000) 4.378 26.115 ( 3.470 -0.262 0.000) 3.480 26.329 ( 2.688 1.778 0.000) 3.223 26.432 ( -5.941 -0.718 0.000) 5.984 26.597 ( 4.575 -2.147 0.000) 5.054 26.609 ( 1.777 -5.560 0.000) 5.837 26.781 ( -0.140 -3.581 0.000) 3.584 26.842 ( -3.523 -6.803 0.000) 7.662 27.272 ( 3.337 -1.728 0.000) 3.758 29.267 ( -0.293 -5.664 0.000) 5.672 29.638 ( -1.307 8.269 0.000) 8.372 30.184 ( 10.581 -0.493 0.000) 10.592 30.459 ( -12.159 -1.563 0.000) 12.259 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.00 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 -0.000 0.000) 0.000 4.199 ( 0.000 -0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 -0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 -0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 -0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 -0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 -0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 -0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 -0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 13.009 ( 0.000 -0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 16.466 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 16.931 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.477 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 25.309 ( 0.000 0.000 0.000) 0.000 25.333 ( 0.000 -0.000 0.000) 0.000 25.333 ( 0.000 0.000 0.000) 0.000 25.336 ( 0.000 0.000 0.000) 0.000 25.563 ( 0.000 0.000 0.000) 0.000 25.600 ( 0.000 0.000 0.000) 0.000 25.780 ( 0.000 0.000 0.000) 0.000 25.857 ( 0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 26.343 ( 0.000 0.000 0.000) 0.000 26.346 ( 0.000 -0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.750 ( 0.000 0.000 0.000) 0.000 26.791 ( 0.000 0.000 0.000) 0.000 26.863 ( 0.000 0.000 0.000) 0.000 27.053 ( 0.000 0.000 0.000) 0.000 29.260 ( 0.000 0.000 0.000) 0.000 29.785 ( 0.000 0.000 0.000) 0.000 29.895 ( 0.000 0.000 0.000) 0.000 30.777 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 27 (17/54) ======================= q-point: ( 0.20 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 17.857 -0.000 0.000) 17.857 2.305 ( 0.830 0.000 0.000) 0.830 2.544 ( 12.439 0.000 0.000) 12.439 2.660 ( 8.585 0.000 0.000) 8.585 3.388 ( -2.002 -0.000 0.000) 2.002 3.408 ( -5.016 0.000 0.000) 5.016 3.449 ( -4.448 -0.000 0.000) 4.448 3.552 ( -0.160 -0.000 0.000) 0.160 3.611 ( 7.097 -0.000 0.000) 7.097 3.888 ( -11.074 0.000 0.000) 11.074 4.026 ( 3.076 0.000 0.000) 3.076 4.121 ( -10.346 0.000 0.000) 10.346 4.203 ( 2.837 -0.000 0.000) 2.837 4.235 ( 2.973 0.000 0.000) 2.973 4.289 ( -4.061 0.000 0.000) 4.061 4.425 ( -6.644 -0.000 0.000) 6.644 4.479 ( -1.459 0.000 0.000) 1.459 4.672 ( -3.518 0.000 0.000) 3.518 4.752 ( 10.781 0.000 0.000) 10.781 4.868 ( -8.443 0.000 0.000) 8.443 5.041 ( 3.839 0.000 0.000) 3.839 5.113 ( 11.585 0.000 0.000) 11.585 5.237 ( 5.155 0.000 0.000) 5.155 5.268 ( -12.676 -0.000 0.000) 12.676 5.489 ( -1.325 0.000 0.000) 1.325 5.682 ( 0.851 0.000 0.000) 0.851 5.736 ( 4.856 0.000 0.000) 4.856 5.850 ( -5.550 0.000 0.000) 5.550 5.928 ( -1.106 -0.000 0.000) 1.106 5.997 ( 6.981 -0.000 0.000) 6.981 6.084 ( -4.910 0.000 0.000) 4.910 6.121 ( -9.222 0.000 0.000) 9.222 6.203 ( 0.548 0.000 0.000) 0.548 6.483 ( -4.530 -0.000 0.000) 4.530 6.519 ( -3.818 0.000 0.000) 3.818 6.705 ( 1.920 -0.000 0.000) 1.920 6.796 ( 7.428 0.000 0.000) 7.428 7.020 ( -7.998 0.000 0.000) 7.998 7.110 ( 4.766 0.000 0.000) 4.766 7.272 ( 7.002 -0.000 0.000) 7.002 7.285 ( 2.522 0.000 0.000) 2.522 7.304 ( -6.386 0.000 0.000) 6.386 7.560 ( 10.661 -0.000 0.000) 10.661 7.635 ( -0.414 0.000 0.000) 0.414 7.659 ( 17.703 -0.000 0.000) 17.703 7.845 ( 5.545 -0.000 0.000) 5.545 7.967 ( -3.287 0.000 0.000) 3.287 8.198 ( 2.948 0.000 0.000) 2.948 8.299 ( 10.594 0.000 0.000) 10.594 8.397 ( -13.262 0.000 0.000) 13.262 8.480 ( 10.083 0.000 0.000) 10.083 8.848 ( -6.403 0.000 0.000) 6.403 8.965 ( 6.293 0.000 0.000) 6.293 9.074 ( 7.767 0.000 0.000) 7.767 9.181 ( -13.088 0.000 0.000) 13.088 9.351 ( -16.177 0.000 0.000) 16.177 9.758 ( 7.133 0.000 0.000) 7.133 9.815 ( 2.419 0.000 0.000) 2.419 9.922 ( 1.172 0.000 0.000) 1.172 10.123 ( -2.059 -0.000 0.000) 2.059 10.404 ( -5.491 0.000 0.000) 5.491 10.598 ( -3.028 0.000 0.000) 3.028 10.606 ( 16.367 0.000 0.000) 16.367 10.778 ( 5.834 0.000 0.000) 5.834 10.990 ( 7.543 0.000 0.000) 7.543 11.107 ( -10.597 0.000 0.000) 10.597 11.516 ( -2.897 0.000 0.000) 2.897 11.603 ( -8.864 0.000 0.000) 8.864 11.714 ( -20.011 0.000 0.000) 20.011 11.889 ( -27.466 0.000 0.000) 27.466 12.137 ( -5.795 0.000 0.000) 5.795 12.364 ( 3.229 0.000 0.000) 3.229 12.520 ( -2.002 0.000 0.000) 2.002 12.769 ( -2.683 0.000 0.000) 2.683 13.244 ( 20.787 0.000 0.000) 20.787 14.086 ( 36.779 0.000 0.000) 36.779 14.561 ( 0.237 0.000 0.000) 0.237 14.743 ( 1.167 0.000 0.000) 1.167 15.702 ( 12.259 -0.000 0.000) 12.259 15.712 ( -10.201 0.000 0.000) 10.201 16.270 ( -15.727 0.000 0.000) 15.727 16.399 ( -0.780 0.000 0.000) 0.780 16.651 ( -12.796 0.000 0.000) 12.796 16.718 ( -10.119 0.000 0.000) 10.119 16.930 ( -6.561 0.000 0.000) 6.561 17.373 ( 2.900 0.000 0.000) 2.900 17.507 ( 5.659 0.000 0.000) 5.659 17.679 ( 7.560 0.000 0.000) 7.560 25.304 ( -1.513 -0.000 0.000) 1.513 25.309 ( -0.417 0.000 0.000) 0.417 25.350 ( 0.390 0.000 0.000) 0.390 25.368 ( 3.266 0.000 0.000) 3.266 25.576 ( 1.315 0.000 0.000) 1.315 25.591 ( 0.287 0.000 0.000) 0.287 25.799 ( -0.055 0.000 0.000) 0.055 25.907 ( 3.636 0.000 0.000) 3.636 26.102 ( -3.323 0.000 0.000) 3.323 26.314 ( 1.304 0.000 0.000) 1.304 26.399 ( 3.861 0.000 0.000) 3.861 26.447 ( 4.727 0.000 0.000) 4.727 26.645 ( -6.228 0.000 0.000) 6.228 26.806 ( -3.485 -0.000 0.000) 3.485 26.813 ( -0.641 0.000 0.000) 0.641 27.140 ( 6.022 0.000 0.000) 6.022 29.242 ( -1.526 0.000 0.000) 1.526 29.763 ( -1.743 -0.000 0.000) 1.743 29.971 ( 6.802 0.000 0.000) 6.802 30.683 ( -8.255 -0.000 0.000) 8.255 ======================= Grid point 29 (18/54) ======================= q-point: ( 0.40 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 1.224 0.000 0.000) 1.224 2.397 ( 20.211 0.000 0.000) 20.211 2.803 ( -3.984 0.000 0.000) 3.984 2.915 ( 21.020 0.000 0.000) 21.020 3.284 ( 2.584 0.000 0.000) 2.584 3.310 ( -4.598 0.000 0.000) 4.598 3.416 ( -0.602 -0.000 0.000) 0.602 3.466 ( -15.511 -0.000 0.000) 15.511 3.613 ( -4.911 -0.000 0.000) 4.911 3.775 ( -16.524 0.000 0.000) 16.524 3.869 ( 15.448 -0.000 0.000) 15.448 4.029 ( 2.602 0.000 0.000) 2.602 4.153 ( -7.286 0.000 0.000) 7.286 4.226 ( -9.041 -0.000 0.000) 9.041 4.343 ( 3.966 0.000 0.000) 3.966 4.383 ( 2.562 0.000 0.000) 2.562 4.498 ( 2.254 0.000 0.000) 2.254 4.569 ( -3.378 0.000 0.000) 3.378 4.736 ( -2.572 0.000 0.000) 2.572 4.946 ( -9.111 0.000 0.000) 9.111 4.954 ( 6.162 -0.000 0.000) 6.162 5.113 ( 2.685 0.000 0.000) 2.685 5.311 ( -1.906 0.000 0.000) 1.906 5.447 ( 12.626 0.000 0.000) 12.626 5.551 ( 5.757 0.000 0.000) 5.757 5.640 ( -3.110 0.000 0.000) 3.110 5.795 ( -7.108 -0.000 0.000) 7.108 5.858 ( 7.173 0.000 0.000) 7.173 5.858 ( 3.162 -0.000 0.000) 3.162 5.933 ( -6.898 0.000 0.000) 6.898 5.946 ( -4.237 0.000 0.000) 4.237 6.096 ( -1.823 0.000 0.000) 1.823 6.247 ( 3.080 0.000 0.000) 3.080 6.374 ( -3.985 -0.000 0.000) 3.985 6.447 ( -1.793 0.000 0.000) 1.793 6.674 ( -5.780 0.000 0.000) 5.780 6.862 ( 0.035 0.000 0.000) 0.035 7.026 ( 8.845 0.000 0.000) 8.845 7.188 ( -3.254 -0.000 0.000) 3.254 7.215 ( 1.764 0.000 0.000) 1.764 7.298 ( -0.555 -0.000 0.000) 0.555 7.397 ( 2.033 0.000 0.000) 2.033 7.632 ( 1.671 0.000 0.000) 1.671 7.776 ( 7.352 -0.000 0.000) 7.352 7.810 ( -1.769 0.000 0.000) 1.769 8.026 ( -6.371 -0.000 0.000) 6.371 8.105 ( 7.606 -0.000 0.000) 7.606 8.183 ( 16.420 -0.000 0.000) 16.420 8.230 ( 1.359 0.000 0.000) 1.359 8.459 ( -1.584 0.000 0.000) 1.584 8.616 ( -8.258 0.000 0.000) 8.258 8.842 ( -5.451 0.000 0.000) 5.451 8.895 ( -0.149 0.000 0.000) 0.149 9.172 ( 16.662 -0.000 0.000) 16.662 9.189 ( 8.256 0.000 0.000) 8.256 9.226 ( 5.207 0.000 0.000) 5.207 9.652 ( -11.556 -0.000 0.000) 11.556 9.937 ( 0.726 0.000 0.000) 0.726 10.029 ( 13.591 0.000 0.000) 13.591 10.112 ( -28.355 0.000 0.000) 28.355 10.156 ( 2.020 0.000 0.000) 2.020 10.374 ( -7.161 0.000 0.000) 7.161 10.638 ( -12.490 0.000 0.000) 12.490 10.946 ( 9.468 0.000 0.000) 9.468 11.079 ( 5.667 -0.000 0.000) 5.667 11.161 ( -1.084 0.000 0.000) 1.084 11.182 ( -6.329 0.000 0.000) 6.329 11.464 ( -0.767 0.000 0.000) 0.767 11.545 ( -4.947 -0.000 0.000) 4.947 11.606 ( -0.505 0.000 0.000) 0.505 11.955 ( -9.084 0.000 0.000) 9.084 12.414 ( 1.169 0.000 0.000) 1.169 12.418 ( -3.671 -0.000 0.000) 3.671 12.791 ( 1.767 0.000 0.000) 1.767 13.672 ( 13.206 0.000 0.000) 13.206 14.561 ( -0.197 0.000 0.000) 0.197 14.779 ( 1.642 0.000 0.000) 1.642 14.815 ( 28.803 -0.000 0.000) 28.803 15.386 ( -19.211 0.000 0.000) 19.211 15.906 ( -10.175 0.000 0.000) 10.175 16.045 ( 14.858 0.000 0.000) 14.858 16.357 ( -6.633 0.000 0.000) 6.633 16.435 ( -5.675 0.000 0.000) 5.675 16.454 ( -9.279 0.000 0.000) 9.279 16.780 ( -4.656 -0.000 0.000) 4.656 17.427 ( 1.468 0.000 0.000) 1.468 17.622 ( 3.230 0.000 0.000) 3.230 17.799 ( 2.970 0.000 0.000) 2.970 25.278 ( -0.707 -0.000 0.000) 0.707 25.300 ( -0.292 0.000 0.000) 0.292 25.354 ( 0.064 0.000 0.000) 0.064 25.434 ( 1.821 0.000 0.000) 1.821 25.623 ( 1.967 -0.000 0.000) 1.967 25.628 ( 2.903 0.000 0.000) 2.903 25.760 ( -2.447 0.000 0.000) 2.447 25.911 ( -3.173 0.000 0.000) 3.173 26.112 ( 4.013 0.000 0.000) 4.013 26.365 ( 1.988 0.000 0.000) 1.988 26.414 ( -3.602 0.000 0.000) 3.602 26.527 ( 2.086 -0.000 0.000) 2.086 26.590 ( 2.603 0.000 0.000) 2.603 26.748 ( -1.492 0.000 0.000) 1.492 26.760 ( -3.396 0.000 0.000) 3.396 27.253 ( 3.270 0.000 0.000) 3.270 29.208 ( -1.110 0.000 0.000) 1.110 29.728 ( -1.044 0.000 0.000) 1.044 30.177 ( 11.590 0.000 0.000) 11.590 30.448 ( -12.451 -0.000 0.000) 12.451 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 0.000 39.326) 39.326 0.819 ( 0.000 0.000 39.769) 39.769 1.381 ( 0.000 0.000 65.513) 65.513 2.861 ( 0.000 0.000 -23.082) 23.082 2.951 ( 0.000 0.000 -23.267) 23.267 3.383 ( 0.000 0.000 21.019) 21.019 3.496 ( 0.000 0.000 3.859) 3.859 3.641 ( 0.000 0.000 2.566) 2.566 3.867 ( 0.000 0.000 -2.619) 2.619 3.873 ( 0.000 0.000 15.178) 15.178 3.999 ( 0.000 0.000 -11.705) 11.705 4.058 ( 0.000 0.000 3.083) 3.083 4.072 ( 0.000 0.000 -5.561) 5.561 4.439 ( 0.000 0.000 -2.734) 2.734 4.473 ( 0.000 0.000 4.379) 4.379 4.480 ( 0.000 0.000 -5.215) 5.215 4.485 ( 0.000 0.000 7.658) 7.658 4.677 ( 0.000 0.000 2.431) 2.431 4.707 ( 0.000 0.000 1.213) 1.213 5.004 ( 0.000 0.000 -6.242) 6.242 5.084 ( 0.000 0.000 -7.886) 7.886 5.349 ( 0.000 0.000 -5.980) 5.980 5.382 ( 0.000 0.000 -2.921) 2.921 5.470 ( 0.000 0.000 1.842) 1.842 5.525 ( 0.000 0.000 -1.713) 1.713 5.777 ( 0.000 0.000 -0.920) 0.920 5.919 ( 0.000 0.000 9.963) 9.963 5.942 ( 0.000 0.000 -5.146) 5.146 5.990 ( 0.000 0.000 -17.099) 17.099 6.119 ( 0.000 0.000 4.513) 4.513 6.145 ( 0.000 0.000 2.348) 2.348 6.231 ( 0.000 0.000 2.064) 2.064 6.409 ( 0.000 0.000 1.798) 1.798 6.442 ( 0.000 0.000 5.382) 5.382 6.668 ( 0.000 0.000 6.228) 6.228 6.743 ( 0.000 0.000 -3.357) 3.357 6.809 ( 0.000 0.000 9.332) 9.332 7.010 ( 0.000 0.000 -5.179) 5.179 7.211 ( 0.000 0.000 5.333) 5.333 7.387 ( 0.000 0.000 -2.648) 2.648 7.432 ( 0.000 0.000 -1.091) 1.091 7.452 ( 0.000 0.000 3.180) 3.180 7.531 ( 0.000 0.000 -0.775) 0.775 7.626 ( 0.000 0.000 -1.662) 1.662 7.708 ( 0.000 0.000 -0.337) 0.337 7.945 ( 0.000 0.000 -10.217) 10.217 8.191 ( 0.000 0.000 -4.609) 4.609 8.283 ( 0.000 0.000 2.470) 2.470 8.334 ( 0.000 0.000 -5.769) 5.769 8.398 ( 0.000 0.000 5.316) 5.316 8.817 ( 0.000 0.000 0.798) 0.798 8.868 ( 0.000 0.000 -1.585) 1.585 9.114 ( 0.000 0.000 8.284) 8.284 9.123 ( 0.000 0.000 -0.319) 0.319 9.233 ( 0.000 0.000 -3.749) 3.749 9.388 ( 0.000 0.000 0.148) 0.148 9.458 ( 0.000 0.000 0.792) 0.792 9.643 ( 0.000 0.000 -0.647) 0.647 9.786 ( 0.000 0.000 -0.189) 0.189 9.837 ( 0.000 0.000 -15.593) 15.593 10.451 ( 0.000 0.000 0.829) 0.829 10.568 ( 0.000 0.000 -1.157) 1.157 10.772 ( 0.000 0.000 1.340) 1.340 10.894 ( 0.000 0.000 -0.984) 0.984 11.168 ( 0.000 0.000 1.886) 1.886 11.356 ( 0.000 0.000 -2.011) 2.011 11.702 ( 0.000 0.000 3.344) 3.344 11.785 ( 0.000 0.000 14.734) 14.734 11.957 ( 0.000 0.000 -2.577) 2.577 12.389 ( 0.000 0.000 -3.864) 3.864 12.587 ( 0.000 0.000 11.675) 11.675 12.861 ( 0.000 0.000 7.010) 7.010 13.405 ( 0.000 0.000 -4.706) 4.706 13.603 ( 0.000 0.000 5.590) 5.590 14.158 ( 0.000 0.000 -30.621) 30.621 14.358 ( 0.000 0.000 -9.658) 9.658 14.433 ( 0.000 0.000 7.414) 7.414 15.041 ( 0.000 0.000 -6.162) 6.162 15.384 ( 0.000 0.000 -0.160) 0.160 15.411 ( 0.000 0.000 2.557) 2.557 15.610 ( 0.000 0.000 -2.123) 2.123 15.862 ( 0.000 0.000 23.885) 23.885 15.982 ( 0.000 0.000 -14.732) 14.732 16.727 ( 0.000 0.000 5.668) 5.668 16.970 ( 0.000 0.000 4.835) 4.835 17.018 ( 0.000 0.000 -8.963) 8.963 17.194 ( 0.000 0.000 2.084) 2.084 17.244 ( 0.000 0.000 3.447) 3.447 24.673 ( 0.000 0.000 0.467) 0.467 24.718 ( 0.000 0.000 -0.560) 0.560 25.173 ( 0.000 0.000 0.070) 0.070 25.176 ( 0.000 0.000 -0.032) 0.032 25.500 ( 0.000 0.000 2.032) 2.032 25.535 ( 0.000 0.000 0.847) 0.847 25.798 ( 0.000 0.000 3.840) 3.840 25.948 ( 0.000 0.000 0.130) 0.130 26.072 ( 0.000 0.000 2.744) 2.744 26.355 ( 0.000 0.000 1.719) 1.719 26.437 ( 0.000 0.000 -5.214) 5.214 26.582 ( 0.000 0.000 -2.415) 2.415 26.798 ( 0.000 0.000 4.086) 4.086 27.265 ( 0.000 0.000 -5.652) 5.652 27.394 ( 0.000 0.000 0.646) 0.646 27.422 ( 0.000 0.000 -0.125) 0.125 28.986 ( 0.000 0.000 9.191) 9.191 29.707 ( 0.000 0.000 -5.133) 5.133 30.635 ( 0.000 0.000 -2.355) 2.355 30.761 ( 0.000 0.000 -3.263) 3.263 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.20 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 29.070 0.000 24.389) 37.946 1.237 ( 33.084 0.000 22.905) 40.239 2.133 ( 55.392 0.000 37.697) 67.003 2.889 ( -2.006 0.000 -13.160) 13.312 2.932 ( 0.607 0.000 -22.489) 22.497 3.302 ( -10.789 0.000 16.802) 19.967 3.356 ( -14.440 0.000 2.498) 14.655 3.469 ( -5.501 0.000 5.273) 7.620 3.681 ( -9.281 0.000 4.236) 10.202 3.773 ( -1.601 0.000 3.494) 3.843 3.955 ( -11.000 0.000 -9.980) 14.852 3.995 ( -4.067 0.000 -0.060) 4.068 4.143 ( 0.616 0.000 1.317) 1.454 4.267 ( -6.927 0.000 -7.698) 10.356 4.527 ( -7.788 0.000 0.220) 7.791 4.528 ( 2.336 0.000 -5.828) 6.278 4.569 ( 1.786 0.000 1.854) 2.574 4.663 ( 7.508 0.000 3.771) 8.402 4.749 ( 14.192 0.000 4.657) 14.936 5.056 ( -0.049 0.000 -0.377) 0.381 5.220 ( 6.646 0.000 -8.756) 10.993 5.264 ( -6.121 0.000 -3.265) 6.938 5.370 ( -1.330 0.000 2.657) 2.971 5.550 ( 1.498 0.000 -2.653) 3.047 5.596 ( 5.489 0.000 -2.311) 5.955 5.750 ( -0.819 0.000 3.272) 3.373 5.852 ( -2.716 0.000 5.215) 5.880 5.924 ( -0.064 0.000 -4.569) 4.569 6.016 ( -0.191 0.000 -14.293) 14.294 6.037 ( -7.168 0.000 8.712) 11.281 6.081 ( -4.014 0.000 0.473) 4.042 6.202 ( -1.658 0.000 2.820) 3.271 6.302 ( -1.226 0.000 -0.589) 1.360 6.543 ( -3.822 0.000 -0.997) 3.950 6.655 ( -1.461 0.000 3.754) 4.029 6.758 ( 6.448 0.000 -1.225) 6.564 6.902 ( 8.888 0.000 4.740) 10.073 7.066 ( -1.833 0.000 1.653) 2.468 7.207 ( -1.317 0.000 3.217) 3.476 7.299 ( -9.797 0.000 0.942) 9.842 7.347 ( 3.693 0.000 4.550) 5.860 7.505 ( 1.867 0.000 -2.956) 3.496 7.557 ( 0.760 0.000 0.678) 1.019 7.595 ( 0.234 0.000 5.231) 5.236 7.851 ( 3.234 0.000 -5.615) 6.480 7.954 ( 4.048 0.000 -4.908) 6.362 7.988 ( -12.062 0.000 -1.311) 12.133 8.202 ( -6.820 0.000 3.353) 7.600 8.239 ( -4.663 0.000 2.459) 5.272 8.343 ( 0.206 0.000 -4.249) 4.254 8.723 ( -8.732 0.000 4.522) 9.833 8.871 ( -7.098 0.000 5.708) 9.108 8.893 ( 5.907 0.000 -2.478) 6.405 9.250 ( 0.726 0.000 -0.755) 1.047 9.251 ( -3.009 0.000 0.752) 3.102 9.330 ( 6.058 0.000 1.978) 6.373 9.480 ( 12.512 0.000 -3.707) 13.050 9.728 ( -2.251 0.000 -18.985) 19.118 9.983 ( 10.184 0.000 3.198) 10.675 10.109 ( 13.351 0.000 4.763) 14.175 10.463 ( 11.117 0.000 0.827) 11.147 10.487 ( 5.468 0.000 -0.741) 5.518 10.842 ( -8.875 0.000 2.624) 9.255 10.919 ( -3.653 0.000 -2.351) 4.344 11.121 ( 0.156 0.000 -0.471) 0.497 11.196 ( -13.561 0.000 -2.945) 13.877 11.354 ( -27.807 0.000 14.512) 31.366 11.774 ( 2.428 0.000 6.867) 7.284 11.983 ( 2.156 0.000 -2.545) 3.335 12.774 ( 0.199 0.000 6.257) 6.260 12.910 ( 14.185 0.000 13.539) 19.609 13.114 ( 11.559 0.000 -22.178) 25.010 13.549 ( 20.636 0.000 -36.457) 41.892 13.586 ( -1.406 0.000 4.667) 4.874 14.107 ( -4.208 0.000 -16.316) 16.850 14.349 ( -1.534 0.000 -17.199) 17.267 14.469 ( 3.119 0.000 7.027) 7.688 15.132 ( 3.172 0.000 -12.371) 12.771 15.310 ( -2.107 0.000 -4.868) 5.304 15.565 ( 11.120 0.000 3.575) 11.681 15.677 ( 1.449 0.000 -4.677) 4.897 15.926 ( -1.535 0.000 -13.438) 13.526 16.093 ( 12.536 0.000 13.359) 18.320 16.678 ( -4.261 0.000 8.467) 9.479 16.769 ( -9.126 0.000 0.340) 9.132 16.998 ( -5.454 0.000 3.168) 6.307 17.065 ( -11.053 0.000 14.757) 18.437 17.298 ( 5.600 0.000 -2.942) 6.326 24.671 ( -0.175 0.000 0.501) 0.531 24.718 ( 0.030 0.000 -0.578) 0.579 25.224 ( 4.206 0.000 0.280) 4.215 25.240 ( 3.560 0.000 -0.521) 3.598 25.452 ( -2.242 0.000 2.318) 3.225 25.505 ( -2.536 0.000 0.619) 2.611 25.863 ( -0.605 0.000 8.692) 8.713 26.005 ( 0.519 0.000 5.009) 5.036 26.045 ( 7.846 0.000 1.592) 8.006 26.333 ( -6.402 0.000 -2.108) 6.740 26.414 ( 1.626 0.000 1.170) 2.003 26.608 ( 0.343 0.000 -4.179) 4.194 26.896 ( 7.747 0.000 2.428) 8.119 27.215 ( -1.116 0.000 -2.597) 2.827 27.359 ( -3.204 0.000 0.690) 3.278 27.407 ( -1.342 0.000 -0.684) 1.507 28.971 ( -1.186 0.000 9.453) 9.527 30.052 ( 15.442 0.000 -25.577) 29.877 30.592 ( -3.269 0.000 -3.166) 4.551 30.724 ( -2.876 0.000 -3.811) 4.774 ======================= Grid point 57 (21/54) ======================= q-point: ( 0.40 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 36.025 0.000 9.436) 37.240 2.038 ( 37.385 0.000 10.106) 38.726 2.692 ( -27.334 0.000 -1.018) 27.353 2.792 ( -13.360 0.000 -7.711) 15.426 2.911 ( -22.054 0.000 2.888) 22.243 2.912 ( -3.095 0.000 5.422) 6.243 3.415 ( -1.049 0.000 -15.039) 15.075 3.427 ( 48.041 0.000 19.999) 52.037 3.573 ( -1.363 0.000 1.700) 2.179 3.762 ( -1.364 0.000 -0.651) 1.511 3.801 ( -1.200 0.000 -11.287) 11.351 3.898 ( -1.561 0.000 2.866) 3.263 4.136 ( -5.427 0.000 -6.100) 8.164 4.171 ( 2.496 0.000 8.291) 8.659 4.301 ( -16.458 0.000 2.828) 16.699 4.583 ( -0.992 0.000 3.110) 3.264 4.686 ( 9.612 0.000 -3.300) 10.163 4.822 ( 4.423 0.000 2.579) 5.120 4.995 ( -5.641 0.000 -1.650) 5.878 5.017 ( 7.956 0.000 1.751) 8.147 5.149 ( -3.936 0.000 2.348) 4.583 5.229 ( -6.655 0.000 5.736) 8.785 5.330 ( -0.117 0.000 0.888) 0.895 5.525 ( -2.750 0.000 0.468) 2.789 5.527 ( -4.480 0.000 -2.454) 5.108 5.783 ( 2.584 0.000 2.532) 3.618 5.856 ( -3.071 0.000 2.763) 4.131 5.955 ( 2.806 0.000 5.110) 5.830 5.955 ( 3.302 0.000 -4.124) 5.283 6.000 ( -0.106 0.000 -4.891) 4.892 6.063 ( 3.405 0.000 -7.139) 7.910 6.176 ( -0.841 0.000 3.829) 3.920 6.303 ( -1.321 0.000 -7.441) 7.557 6.338 ( -11.233 0.000 -3.361) 11.725 6.611 ( -1.828 0.000 1.335) 2.264 6.824 ( -4.177 0.000 1.330) 4.384 6.927 ( -1.608 0.000 -5.007) 5.259 7.089 ( 1.662 0.000 -4.586) 4.878 7.207 ( 6.497 0.000 5.725) 8.659 7.234 ( 1.594 0.000 11.047) 11.162 7.415 ( -0.886 0.000 5.333) 5.406 7.519 ( 0.495 0.000 -1.189) 1.288 7.610 ( 6.688 0.000 -4.028) 7.807 7.631 ( -1.656 0.000 2.791) 3.245 7.764 ( -6.532 0.000 -4.303) 7.822 7.794 ( -2.782 0.000 9.667) 10.059 7.964 ( -3.116 0.000 -4.434) 5.420 8.088 ( -3.030 0.000 2.759) 4.098 8.229 ( 0.772 0.000 3.004) 3.101 8.554 ( 13.623 0.000 -7.611) 15.605 8.608 ( -2.203 0.000 2.932) 3.667 8.777 ( -2.350 0.000 3.808) 4.475 8.947 ( -2.216 0.000 -8.483) 8.767 9.205 ( -1.061 0.000 1.275) 1.659 9.216 ( -0.065 0.000 0.242) 0.251 9.611 ( 5.037 0.000 -11.782) 12.814 9.685 ( 7.114 0.000 -10.449) 12.641 9.781 ( 12.042 0.000 -4.578) 12.883 10.167 ( 8.657 0.000 8.968) 12.465 10.224 ( -0.906 0.000 3.826) 3.932 10.441 ( -9.078 0.000 3.276) 9.651 10.636 ( 3.209 0.000 -0.097) 3.211 10.706 ( -26.717 0.000 16.639) 31.475 10.799 ( 5.869 0.000 1.586) 6.079 10.838 ( -12.960 0.000 2.504) 13.199 11.060 ( 10.559 0.000 -4.052) 11.310 11.137 ( -0.982 0.000 -0.826) 1.283 11.859 ( 4.141 0.000 6.671) 7.852 11.944 ( -4.507 0.000 -5.407) 7.039 12.672 ( -4.838 0.000 13.090) 13.955 13.153 ( -0.121 0.000 -14.065) 14.066 13.260 ( 12.710 0.000 11.940) 17.439 13.532 ( -3.827 0.000 2.110) 4.371 13.960 ( 12.780 0.000 -30.840) 33.383 14.021 ( -1.696 0.000 -10.477) 10.613 14.257 ( -6.702 0.000 -23.411) 24.352 14.549 ( 3.124 0.000 6.254) 6.991 15.178 ( 1.673 0.000 -12.188) 12.303 15.283 ( -0.967 0.000 -9.326) 9.376 15.532 ( -8.182 0.000 -11.421) 14.050 15.797 ( 7.656 0.000 1.752) 7.854 16.043 ( 6.618 0.000 -7.850) 10.268 16.263 ( 3.264 0.000 13.087) 13.487 16.571 ( -4.006 0.000 15.698) 16.202 16.650 ( -2.074 0.000 -1.283) 2.439 16.857 ( -5.422 0.000 10.152) 11.509 16.882 ( -4.716 0.000 12.719) 13.565 17.373 ( 1.457 0.000 -4.984) 5.193 24.667 ( -0.089 0.000 0.559) 0.566 24.719 ( 0.036 0.000 -0.623) 0.624 25.304 ( 2.052 0.000 1.361) 2.463 25.331 ( 5.063 0.000 0.335) 5.074 25.414 ( -1.213 0.000 0.615) 1.360 25.433 ( -3.988 0.000 0.399) 4.008 25.804 ( -2.168 0.000 12.267) 12.457 26.061 ( 2.042 0.000 3.816) 4.328 26.201 ( 1.561 0.000 1.672) 2.288 26.239 ( 1.287 0.000 2.223) 2.569 26.420 ( -0.312 0.000 3.476) 3.490 26.590 ( -1.368 0.000 -5.099) 5.279 27.079 ( 8.185 0.000 0.848) 8.229 27.224 ( 0.936 0.000 -1.732) 1.969 27.255 ( -6.131 0.000 0.580) 6.159 27.374 ( -1.288 0.000 -2.199) 2.549 28.948 ( -0.684 0.000 9.865) 9.888 30.260 ( 4.809 0.000 -23.481) 23.968 30.521 ( -2.567 0.000 -3.732) 4.529 30.666 ( -1.706 0.000 -4.606) 4.912 ======================= Grid point 60 (22/54) ======================= q-point: ( 0.00 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 25.198 24.572) 35.196 1.230 ( 0.000 32.366 25.956) 41.488 1.866 ( 0.000 38.028 46.302) 59.917 2.900 ( 0.000 -1.763 -21.199) 21.272 2.958 ( 0.000 8.138 -20.803) 22.338 3.301 ( 0.000 -7.255 15.721) 17.314 3.608 ( 0.000 7.467 8.134) 11.041 3.637 ( 0.000 -1.318 3.376) 3.625 3.741 ( 0.000 -5.889 -1.497) 6.076 3.783 ( 0.000 -6.463 2.993) 7.122 3.899 ( 0.000 -2.427 12.960) 13.186 3.978 ( 0.000 -5.254 -2.033) 5.634 4.282 ( 0.000 4.348 -4.360) 6.157 4.320 ( 0.000 -10.164 -4.122) 10.968 4.438 ( 0.000 -2.305 1.986) 3.043 4.496 ( 0.000 2.520 7.646) 8.050 4.513 ( 0.000 3.839 -7.142) 8.109 4.681 ( 0.000 0.560 1.566) 1.663 4.755 ( 0.000 5.314 1.932) 5.654 4.967 ( 0.000 -3.710 -3.474) 5.082 5.033 ( 0.000 -2.983 -11.039) 11.435 5.336 ( 0.000 -1.203 0.603) 1.346 5.385 ( 0.000 -8.007 1.232) 8.101 5.469 ( 0.000 7.494 -4.885) 8.946 5.483 ( 0.000 -7.906 -2.039) 8.165 5.644 ( 0.000 -9.515 1.674) 9.661 5.848 ( 0.000 -2.335 3.615) 4.303 5.970 ( 0.000 -0.857 -12.407) 12.436 6.015 ( 0.000 0.151 -5.396) 5.398 6.148 ( 0.000 1.954 -1.340) 2.369 6.150 ( 0.000 -0.888 1.536) 1.774 6.265 ( 0.000 4.056 3.657) 5.461 6.430 ( 0.000 2.100 1.794) 2.762 6.510 ( 0.000 0.806 -0.165) 0.823 6.661 ( 0.000 -0.449 5.873) 5.890 6.698 ( 0.000 -5.438 1.278) 5.586 6.963 ( 0.000 -3.729 -5.018) 6.252 6.965 ( 0.000 12.367 -0.812) 12.393 7.175 ( 0.000 -14.336 -1.771) 14.445 7.223 ( 0.000 0.831 4.938) 5.008 7.378 ( 0.000 -3.577 5.104) 6.233 7.458 ( 0.000 -0.092 -1.312) 1.315 7.542 ( 0.000 -3.708 1.772) 4.110 7.641 ( 0.000 5.237 -2.929) 6.001 7.686 ( 0.000 -2.648 -0.236) 2.659 7.927 ( 0.000 -0.807 -8.161) 8.201 8.131 ( 0.000 -2.989 -3.283) 4.440 8.230 ( 0.000 -4.621 2.916) 5.464 8.367 ( 0.000 2.248 -5.936) 6.348 8.402 ( 0.000 0.054 3.309) 3.309 8.704 ( 0.000 -16.895 6.110) 17.966 8.787 ( 0.000 -2.528 1.966) 3.202 8.895 ( 0.000 -2.936 3.025) 4.215 9.142 ( 0.000 -0.558 -1.526) 1.624 9.249 ( 0.000 -0.252 -5.631) 5.637 9.404 ( 0.000 2.616 1.542) 3.037 9.469 ( 0.000 1.305 1.023) 1.658 9.767 ( 0.000 2.885 -17.414) 17.651 9.913 ( 0.000 11.662 -1.975) 11.828 10.097 ( 0.000 15.896 -0.801) 15.916 10.456 ( 0.000 0.608 0.728) 0.949 10.503 ( 0.000 -11.469 12.594) 17.033 10.580 ( 0.000 0.845 -1.620) 1.828 10.938 ( 0.000 -5.189 6.031) 7.956 11.092 ( 0.000 5.235 -0.509) 5.260 11.446 ( 0.000 0.100 -6.369) 6.370 11.679 ( 0.000 -2.203 3.927) 4.503 11.880 ( 0.000 9.767 15.835) 18.605 11.961 ( 0.000 -0.762 -2.852) 2.952 12.376 ( 0.000 -16.885 10.920) 20.108 12.505 ( 0.000 3.076 3.300) 4.512 12.849 ( 0.000 -2.710 6.708) 7.235 13.287 ( 0.000 -7.128 -0.611) 7.154 13.541 ( 0.000 -9.071 4.216) 10.003 13.829 ( 0.000 -26.775 -24.376) 36.209 14.329 ( 0.000 1.614 -13.381) 13.479 14.332 ( 0.000 -10.448 4.172) 11.251 14.935 ( 0.000 -6.804 -7.781) 10.336 15.271 ( 0.000 -1.723 -5.797) 6.047 15.502 ( 0.000 10.544 8.598) 13.605 15.839 ( 0.000 -12.774 -15.372) 19.987 15.849 ( 0.000 10.181 9.511) 13.933 16.048 ( 0.000 20.217 5.699) 21.005 16.642 ( 0.000 -0.607 10.666) 10.683 17.000 ( 0.000 6.632 4.179) 7.838 17.050 ( 0.000 2.969 -9.130) 9.601 17.241 ( 0.000 5.053 5.063) 7.153 17.633 ( 0.000 10.945 -13.326) 17.245 24.810 ( 0.000 8.741 -0.831) 8.780 24.837 ( 0.000 10.955 -4.253) 11.752 25.165 ( 0.000 0.217 0.532) 0.574 25.205 ( 0.000 1.782 -0.452) 1.838 25.437 ( 0.000 -2.359 2.133) 3.180 25.571 ( 0.000 -0.603 -2.326) 2.403 25.796 ( 0.000 -0.181 3.651) 3.655 25.939 ( 0.000 -0.760 0.139) 0.773 26.144 ( 0.000 5.795 5.775) 8.181 26.354 ( 0.000 -0.028 1.647) 1.647 26.482 ( 0.000 3.232 -1.814) 3.707 26.574 ( 0.000 -0.751 -2.082) 2.213 26.777 ( 0.000 -1.830 3.772) 4.193 27.107 ( 0.000 -14.802 16.929) 22.487 27.237 ( 0.000 -2.709 -5.589) 6.211 27.400 ( 0.000 -2.626 -0.460) 2.666 28.974 ( 0.000 2.275 10.388) 10.634 29.686 ( 0.000 -1.867 0.036) 1.867 30.479 ( 0.000 -10.073 -5.721) 11.584 30.862 ( 0.000 0.781 -13.173) 13.196 ======================= Grid point 61 (23/54) ======================= q-point: ( 0.20 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 23.340 14.776 20.650) 34.489 1.478 ( 22.735 20.041 20.338) 36.499 2.514 ( 45.610 29.982 25.515) 60.251 2.854 ( -1.918 -0.463 -11.963) 12.125 3.022 ( -1.608 6.229 -18.766) 19.838 3.270 ( -2.931 -4.243 13.977) 14.898 3.418 ( -14.395 4.513 3.062) 15.394 3.522 ( -7.199 2.331 4.058) 8.587 3.607 ( -9.489 -4.557 4.044) 11.276 3.787 ( -0.542 -0.012 3.292) 3.336 3.848 ( 0.995 -4.330 -2.675) 5.186 4.026 ( -5.227 -5.060 -1.358) 7.401 4.050 ( -10.444 0.494 -8.370) 13.393 4.312 ( -3.267 -3.130 -1.040) 4.642 4.417 ( -2.368 -3.625 -2.349) 4.926 4.527 ( -4.294 -0.880 0.219) 4.389 4.621 ( 2.393 2.314 2.468) 4.144 4.639 ( 8.278 -1.781 5.308) 9.993 4.766 ( 6.311 3.751 1.682) 7.532 4.991 ( 1.203 -4.398 -1.880) 4.932 5.148 ( 5.429 -4.543 -5.757) 9.125 5.305 ( -2.278 -0.267 0.776) 2.421 5.320 ( -3.638 -4.167 3.009) 6.298 5.506 ( 2.151 -5.812 1.546) 6.387 5.548 ( 4.092 -4.766 -3.712) 7.297 5.702 ( 4.552 -2.219 0.520) 5.091 5.832 ( -1.079 -0.821 0.998) 1.684 5.940 ( -2.192 -1.116 -6.708) 7.145 5.967 ( -6.104 0.380 0.008) 6.116 6.077 ( -3.303 1.421 -7.437) 8.261 6.140 ( -3.121 1.483 2.025) 4.005 6.207 ( -3.736 2.483 4.622) 6.441 6.317 ( -1.572 -0.189 -1.646) 2.284 6.504 ( -6.064 -2.851 0.029) 6.701 6.622 ( -2.080 -1.736 1.869) 3.292 6.813 ( 8.657 2.302 1.179) 9.035 6.940 ( 3.136 -0.158 0.022) 3.140 7.079 ( -1.379 0.982 1.704) 2.402 7.213 ( 2.311 1.436 1.234) 2.988 7.264 ( -5.884 -3.340 2.562) 7.235 7.301 ( 2.386 -3.193 2.137) 4.523 7.482 ( -2.371 -1.023 0.783) 2.698 7.552 ( 1.002 -1.347 2.927) 3.374 7.574 ( 6.468 0.716 -1.179) 6.614 7.767 ( -0.032 -6.540 -3.254) 7.305 7.952 ( -10.467 -1.409 -4.549) 11.500 7.987 ( 1.421 -1.090 -1.028) 2.065 8.170 ( -0.167 -1.072 0.651) 1.265 8.290 ( -1.137 -2.741 -2.589) 3.938 8.316 ( -4.385 4.442 -1.180) 6.353 8.751 ( -8.599 2.101 5.452) 10.396 8.830 ( -4.416 -2.350 2.509) 5.596 8.871 ( 7.447 -2.238 -1.719) 7.963 9.083 ( 12.567 -8.771 3.256) 15.667 9.340 ( -2.168 3.174 -1.662) 4.187 9.407 ( 2.834 7.806 -1.003) 8.365 9.570 ( 5.757 3.643 -1.717) 7.026 9.753 ( -1.542 1.805 -18.301) 18.454 9.999 ( 3.735 1.858 2.654) 4.945 10.142 ( 7.884 2.655 4.026) 9.242 10.428 ( 10.277 -2.492 2.668) 10.906 10.546 ( 8.643 4.026 -2.185) 9.782 10.783 ( -8.552 -2.347 4.692) 10.033 10.961 ( -8.853 -0.332 -2.839) 9.303 11.084 ( 3.800 -1.402 -2.643) 4.836 11.243 ( -9.092 2.440 -0.266) 9.418 11.428 ( -22.756 6.596 12.700) 26.882 11.780 ( 0.193 1.670 8.533) 8.697 11.990 ( -0.937 -0.209 -2.125) 2.332 12.576 ( 10.475 -19.873 6.596) 23.413 12.800 ( 3.263 -5.926 11.320) 13.188 13.042 ( 22.088 -11.908 -14.973) 29.221 13.262 ( 3.390 -14.990 -5.574) 16.348 13.475 ( -3.869 -14.489 1.650) 15.087 13.904 ( 3.523 -16.433 -26.442) 31.331 14.242 ( -3.013 -4.136 -8.491) 9.913 14.440 ( 4.073 -3.500 -0.511) 5.394 15.027 ( 6.346 -6.941 -9.759) 13.553 15.211 ( -3.498 -4.014 -5.094) 7.369 15.559 ( 3.648 7.474 7.016) 10.881 15.767 ( -5.316 -8.248 -13.022) 16.306 15.999 ( 10.159 2.021 11.748) 15.662 16.149 ( 7.425 17.630 2.787) 19.332 16.608 ( -2.604 0.773 9.954) 10.318 16.881 ( -8.923 5.687 -4.181) 11.377 16.989 ( -3.589 5.964 6.237) 9.346 17.221 ( -3.561 6.959 5.497) 9.557 17.582 ( -2.728 13.671 -9.728) 16.999 24.790 ( -2.080 9.669 -1.099) 9.951 24.813 ( -0.033 8.645 -0.635) 8.669 25.213 ( 3.514 -0.207 0.678) 3.585 25.262 ( 3.923 1.523 -0.368) 4.224 25.420 ( -1.229 -1.710 1.686) 2.698 25.514 ( -3.211 -0.323 -0.336) 3.244 25.847 ( 0.039 -1.180 7.660) 7.751 26.001 ( 4.523 -0.637 1.236) 4.732 26.108 ( 1.140 4.945 5.515) 7.495 26.336 ( -3.893 0.166 0.788) 3.975 26.456 ( -0.488 3.358 -0.345) 3.411 26.604 ( 0.833 -0.450 -4.021) 4.131 26.868 ( 7.681 -2.561 3.317) 8.750 27.125 ( 1.322 -7.696 3.133) 8.413 27.292 ( 1.666 -4.531 -1.627) 5.095 27.385 ( -1.234 -2.448 -1.110) 2.958 28.997 ( 0.874 3.399 9.186) 9.834 29.876 ( 13.190 -10.814 -7.695) 18.712 30.441 ( -3.390 -10.279 -6.404) 12.576 30.780 ( -6.008 -0.214 -10.007) 11.674 ======================= Grid point 62 (24/54) ======================= q-point: ( 0.40 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 34.176 4.476 8.809) 35.576 2.108 ( 32.275 7.359 9.369) 34.404 2.662 ( -20.100 -1.502 -1.053) 20.184 2.795 ( -19.035 -0.092 -2.931) 19.260 2.950 ( -20.366 5.885 5.247) 21.838 3.028 ( -5.459 6.864 2.879) 9.230 3.395 ( -0.406 -2.226 -10.817) 11.051 3.541 ( 5.361 -1.372 -1.252) 5.673 3.642 ( 29.635 14.812 9.320) 34.417 3.757 ( 0.704 -0.130 -4.330) 4.389 3.813 ( -1.314 0.391 -7.037) 7.169 3.937 ( -1.705 3.178 -0.308) 3.620 4.077 ( 11.093 0.654 1.995) 11.290 4.186 ( -10.511 1.713 -3.460) 11.198 4.300 ( -4.204 -7.807 -2.626) 9.248 4.480 ( -2.824 -1.670 4.667) 5.705 4.726 ( 5.380 -0.611 2.788) 6.090 4.769 ( 1.822 -1.437 5.026) 5.536 4.858 ( 0.793 -7.582 3.957) 8.589 5.045 ( 2.665 -0.300 5.792) 6.383 5.164 ( -6.271 0.438 2.415) 6.735 5.229 ( 0.082 -5.423 2.051) 5.799 5.334 ( 0.117 4.770 1.955) 5.156 5.446 ( -5.885 -5.373 4.430) 9.117 5.567 ( -2.443 0.682 -4.370) 5.053 5.731 ( -1.558 -5.350 0.930) 5.649 5.766 ( -1.196 -5.741 4.650) 7.484 5.933 ( 3.773 -1.105 1.150) 4.096 5.971 ( 3.086 -0.216 -2.076) 3.726 6.019 ( -1.200 -0.018 -4.023) 4.198 6.083 ( -1.363 0.268 -3.535) 3.798 6.143 ( 0.055 -0.441 1.673) 1.731 6.303 ( -3.464 -0.386 -0.498) 3.521 6.383 ( -2.228 3.301 -10.494) 11.224 6.576 ( -1.747 -2.055 1.131) 2.925 6.768 ( -11.202 -4.579 0.360) 12.107 6.970 ( 3.542 3.376 -3.718) 6.145 7.030 ( -2.579 -3.644 -3.247) 5.521 7.210 ( 4.259 -0.761 3.024) 5.279 7.294 ( 2.621 -0.077 5.712) 6.285 7.357 ( -1.019 -1.048 5.018) 5.227 7.445 ( 0.904 -3.145 1.883) 3.775 7.569 ( -3.311 -4.101 0.723) 5.321 7.705 ( 5.048 3.948 -2.392) 6.841 7.780 ( 2.218 1.343 7.374) 7.816 7.812 ( 0.147 -2.063 -3.530) 4.091 7.983 ( -1.786 1.114 0.705) 2.220 8.124 ( -3.495 8.090 -2.926) 9.286 8.209 ( -3.166 -2.734 0.014) 4.183 8.506 ( 12.440 -3.396 -5.448) 13.999 8.608 ( -3.633 0.256 3.320) 4.928 8.759 ( -1.498 -1.461 2.107) 2.969 8.974 ( 0.089 2.400 -7.107) 7.502 9.255 ( -1.199 4.259 0.452) 4.447 9.295 ( 2.561 6.023 0.719) 6.584 9.609 ( 6.189 0.223 -7.673) 9.861 9.636 ( 5.341 -2.865 -11.906) 13.360 9.835 ( 10.499 3.011 -4.612) 11.856 10.095 ( 2.558 -5.208 5.704) 8.136 10.228 ( 1.254 -0.931 3.546) 3.875 10.423 ( -8.262 -0.635 5.216) 9.791 10.613 ( -14.405 -2.152 7.550) 16.406 10.709 ( -1.918 -2.099 1.912) 3.427 10.789 ( 1.536 -0.580 1.303) 2.096 10.930 ( -11.652 8.133 8.884) 16.758 11.073 ( 7.899 1.705 -3.362) 8.753 11.261 ( -0.970 10.252 -1.299) 10.380 11.823 ( 1.633 -3.140 4.482) 5.711 11.917 ( -3.804 -2.765 -2.292) 5.232 12.574 ( -4.054 -12.086 11.908) 17.444 12.998 ( 9.166 -17.787 13.079) 23.905 13.145 ( -0.086 -1.185 -12.284) 12.342 13.387 ( -2.939 -12.831 1.063) 13.206 13.593 ( 10.500 -34.727 -7.765) 37.101 13.937 ( 0.984 -9.236 -32.091) 33.408 14.196 ( -1.630 0.072 -19.639) 19.707 14.491 ( 0.810 -3.985 5.494) 6.835 15.122 ( 2.574 -7.039 -9.456) 12.066 15.176 ( -0.703 -5.636 -10.063) 11.556 15.535 ( -4.698 -1.164 -12.367) 13.281 15.749 ( 3.375 3.826 6.912) 8.591 16.188 ( 5.594 -2.968 20.375) 21.336 16.282 ( 3.571 10.420 -1.606) 11.132 16.547 ( -3.084 1.409 10.141) 10.693 16.739 ( -2.162 7.244 -2.805) 8.064 16.909 ( -3.088 6.740 10.062) 12.498 17.115 ( -4.069 15.993 5.908) 17.528 17.546 ( -0.741 10.924 -8.944) 14.138 24.762 ( -0.543 8.303 0.260) 8.325 24.814 ( 0.063 8.658 -0.769) 8.693 25.286 ( 2.450 -0.645 1.688) 3.044 25.350 ( 3.537 0.737 0.514) 3.649 25.394 ( -0.595 -0.821 0.102) 1.019 25.445 ( -3.286 0.397 -0.034) 3.310 25.805 ( -1.854 -0.088 11.507) 11.656 26.045 ( -0.457 -0.383 3.008) 3.066 26.209 ( 5.667 -0.393 4.142) 7.031 26.290 ( -0.507 4.104 1.208) 4.308 26.427 ( -1.567 0.801 2.747) 3.262 26.592 ( -1.312 0.021 -4.682) 4.863 27.053 ( 7.695 -2.618 0.902) 8.178 27.155 ( 1.193 -5.183 0.073) 5.319 27.250 ( -4.668 -2.053 -1.092) 5.215 27.363 ( -0.571 -1.078 -2.762) 3.019 29.003 ( -0.025 5.553 9.181) 10.730 30.137 ( 10.025 -11.099 -13.058) 19.854 30.333 ( -6.424 -12.299 -6.334) 15.252 30.668 ( -3.099 -2.712 -7.282) 8.366 ======================= Grid point 65 (25/54) ======================= q-point: ( 0.00 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 30.994 10.078) 32.592 1.967 ( 0.000 36.161 15.236) 39.239 2.661 ( 0.000 30.373 16.165) 34.407 2.915 ( 0.000 6.272 -11.115) 12.762 2.935 ( 0.000 -15.758 9.732) 18.521 3.270 ( 0.000 8.306 -6.771) 10.716 3.562 ( 0.000 -5.171 5.213) 7.343 3.635 ( 0.000 -7.805 -2.035) 8.065 3.644 ( 0.000 -7.063 2.306) 7.430 3.732 ( 0.000 0.093 2.525) 2.527 3.779 ( 0.000 -11.782 2.506) 12.046 3.941 ( 0.000 8.692 9.261) 12.701 4.108 ( 0.000 -6.922 2.127) 7.242 4.231 ( 0.000 -4.707 2.228) 5.208 4.392 ( 0.000 -1.326 -3.307) 3.562 4.587 ( 0.000 2.537 -3.949) 4.694 4.618 ( 0.000 6.047 2.528) 6.554 4.761 ( 0.000 6.105 -3.284) 6.933 4.898 ( 0.000 -1.448 -2.072) 2.528 4.904 ( 0.000 7.201 0.350) 7.210 4.991 ( 0.000 -1.801 -6.491) 6.736 5.108 ( 0.000 -14.319 4.927) 15.143 5.302 ( 0.000 -1.397 4.574) 4.782 5.328 ( 0.000 -6.064 0.731) 6.107 5.432 ( 0.000 -9.387 2.606) 9.742 5.657 ( 0.000 9.411 -4.951) 10.633 5.829 ( 0.000 -0.784 0.788) 1.111 5.962 ( 0.000 -4.543 -2.823) 5.349 5.966 ( 0.000 -0.273 -11.022) 11.026 6.093 ( 0.000 -4.963 -0.003) 4.963 6.182 ( 0.000 1.366 -3.869) 4.103 6.299 ( 0.000 -2.865 -1.974) 3.479 6.468 ( 0.000 -4.682 3.506) 5.850 6.500 ( 0.000 4.418 -0.209) 4.423 6.555 ( 0.000 -3.089 -2.638) 4.062 6.666 ( 0.000 1.664 4.545) 4.840 6.889 ( 0.000 -10.022 -3.446) 10.598 6.889 ( 0.000 -2.542 -1.448) 2.926 7.210 ( 0.000 5.447 0.441) 5.465 7.233 ( 0.000 -0.328 4.657) 4.669 7.312 ( 0.000 -2.896 6.776) 7.369 7.327 ( 0.000 -8.458 5.490) 10.084 7.548 ( 0.000 -2.569 -2.785) 3.789 7.657 ( 0.000 -3.477 -4.360) 5.576 7.676 ( 0.000 5.202 -5.182) 7.342 7.951 ( 0.000 2.508 -5.224) 5.795 8.037 ( 0.000 -7.531 0.565) 7.552 8.110 ( 0.000 -6.509 2.640) 7.024 8.264 ( 0.000 -7.738 2.293) 8.071 8.399 ( 0.000 -0.224 -1.757) 1.771 8.575 ( 0.000 4.221 -2.743) 5.034 8.727 ( 0.000 -2.959 4.606) 5.475 8.909 ( 0.000 2.449 -4.157) 4.824 9.150 ( 0.000 2.029 -1.221) 2.368 9.178 ( 0.000 -5.938 -5.050) 7.795 9.494 ( 0.000 3.210 1.893) 3.727 9.534 ( 0.000 6.546 0.355) 6.556 9.765 ( 0.000 -2.386 -16.407) 16.580 10.123 ( 0.000 2.889 8.311) 8.799 10.252 ( 0.000 4.246 2.480) 4.918 10.430 ( 0.000 1.417 0.538) 1.516 10.481 ( 0.000 1.812 0.191) 1.822 10.589 ( 0.000 -0.280 -2.208) 2.226 10.879 ( 0.000 -1.725 2.811) 3.298 11.151 ( 0.000 0.489 4.744) 4.769 11.421 ( 0.000 -1.226 -5.194) 5.337 11.563 ( 0.000 -12.473 7.369) 14.487 11.828 ( 0.000 -9.018 1.352) 9.119 12.147 ( 0.000 -2.264 1.910) 2.962 12.187 ( 0.000 18.294 15.173) 23.767 12.483 ( 0.000 -3.681 8.047) 8.849 12.721 ( 0.000 -8.433 8.675) 12.098 13.145 ( 0.000 -9.040 -0.045) 9.040 13.198 ( 0.000 -31.110 -20.085) 37.030 13.297 ( 0.000 -10.012 5.460) 11.404 14.068 ( 0.000 -13.534 6.793) 15.143 14.416 ( 0.000 4.879 -17.442) 18.112 14.786 ( 0.000 -7.918 -11.548) 14.002 15.356 ( 0.000 8.700 -13.736) 16.259 15.589 ( 0.000 -8.730 -13.709) 16.252 15.665 ( 0.000 4.500 17.764) 18.325 16.156 ( 0.000 18.660 7.358) 20.059 16.463 ( 0.000 16.876 -2.392) 17.045 16.671 ( 0.000 1.806 9.305) 9.479 17.140 ( 0.000 5.646 -9.210) 10.802 17.140 ( 0.000 5.739 0.093) 5.740 17.351 ( 0.000 4.739 5.631) 7.360 17.682 ( 0.000 -3.252 -4.670) 5.690 25.038 ( 0.000 12.209 -0.953) 12.246 25.068 ( 0.000 10.751 -3.074) 11.182 25.185 ( 0.000 1.758 0.842) 1.949 25.246 ( 0.000 2.145 -0.626) 2.234 25.402 ( 0.000 -1.308 0.993) 1.642 25.536 ( 0.000 -1.773 -2.287) 2.894 25.791 ( 0.000 -0.214 3.141) 3.148 25.918 ( 0.000 -1.198 0.160) 1.208 26.240 ( 0.000 2.526 9.652) 9.977 26.353 ( 0.000 -0.111 1.460) 1.465 26.538 ( 0.000 1.586 2.189) 2.703 26.547 ( 0.000 -1.978 -0.812) 2.138 26.731 ( 0.000 -2.296 2.479) 3.379 26.913 ( 0.000 -5.033 10.352) 11.511 27.154 ( 0.000 -5.157 -5.331) 7.417 27.307 ( 0.000 -6.174 -1.561) 6.368 29.095 ( 0.000 8.418 7.049) 10.980 29.643 ( 0.000 -1.780 4.061) 4.434 30.240 ( 0.000 -12.020 -6.967) 13.893 30.809 ( 0.000 -4.252 -13.665) 14.311 ======================= Grid point 66 (26/54) ======================= q-point: ( 0.20 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 7.923 26.670 10.115) 29.604 1.980 ( 9.302 26.070 14.372) 31.189 2.846 ( -1.183 1.842 -11.894) 12.093 2.994 ( -0.862 -12.182 9.236) 15.312 3.145 ( 11.165 7.814 4.173) 14.252 3.216 ( 13.822 15.396 3.340) 20.958 3.446 ( -13.838 -3.408 -3.421) 14.657 3.492 ( -9.557 -3.892 2.089) 10.529 3.608 ( 0.256 3.657 0.892) 3.773 3.751 ( 2.831 -1.904 1.385) 3.682 3.816 ( 2.005 -2.458 0.591) 3.227 3.978 ( 2.665 3.550 -1.033) 4.558 4.040 ( -1.824 0.848 2.702) 3.369 4.223 ( -7.488 -2.606 -3.491) 8.662 4.344 ( -2.090 -3.846 -2.616) 5.099 4.521 ( -0.295 2.527 5.125) 5.721 4.646 ( 4.502 2.002 2.165) 5.381 4.713 ( -9.159 4.356 1.341) 10.230 4.843 ( 0.573 2.465 0.328) 2.552 4.926 ( 2.933 -1.625 0.796) 3.446 5.051 ( 1.243 -5.057 1.363) 5.383 5.123 ( 0.976 -9.448 3.153) 10.008 5.295 ( -0.272 -5.369 2.105) 5.773 5.352 ( -0.548 -4.967 1.168) 5.132 5.434 ( 6.325 -3.466 2.336) 7.581 5.722 ( 4.039 1.534 -0.466) 4.345 5.819 ( -2.284 -0.476 -1.312) 2.676 5.900 ( -3.238 -4.246 -10.355) 11.650 5.961 ( -4.060 -1.546 -2.670) 5.099 6.033 ( -4.011 -3.383 -4.850) 7.145 6.151 ( -5.486 -1.151 -1.243) 5.742 6.260 ( -1.742 0.571 2.594) 3.177 6.306 ( -1.501 0.378 1.075) 1.885 6.460 ( -3.557 -0.139 3.936) 5.307 6.590 ( -3.319 -1.870 0.376) 3.828 6.825 ( 7.505 -0.318 -0.632) 7.538 6.937 ( 7.117 0.309 -0.716) 7.160 7.007 ( 3.281 -3.965 -4.807) 7.042 7.122 ( -6.500 -5.154 3.543) 9.020 7.230 ( -2.138 -3.164 2.416) 4.519 7.324 ( -1.240 0.586 4.826) 5.017 7.459 ( 5.235 -1.708 2.178) 5.922 7.518 ( 2.760 -3.409 0.252) 4.393 7.630 ( 1.526 2.606 -2.271) 3.779 7.688 ( 1.477 2.495 -2.623) 3.909 7.875 ( -10.110 -4.017 -0.455) 10.888 7.945 ( -1.622 -2.519 -5.372) 6.151 8.129 ( 9.210 -2.655 -2.654) 9.946 8.228 ( -0.497 -2.838 -0.116) 2.884 8.449 ( -3.500 6.107 -4.457) 8.331 8.714 ( -1.155 -5.979 -1.688) 6.319 8.801 ( 2.853 -0.987 0.884) 3.146 8.871 ( 7.327 2.852 4.749) 9.185 8.986 ( 4.385 0.887 4.832) 6.585 9.354 ( 8.675 -2.489 -3.607) 9.719 9.574 ( 2.370 5.597 -3.530) 7.029 9.617 ( -1.869 2.748 -1.071) 3.492 9.767 ( 1.199 -0.116 -9.502) 9.578 10.027 ( -2.041 -0.620 -0.394) 2.169 10.202 ( -1.666 3.100 -2.089) 4.092 10.382 ( 7.691 -1.559 5.416) 9.535 10.592 ( 2.678 0.360 -0.907) 2.851 10.759 ( -5.941 -2.361 0.980) 6.467 10.910 ( -2.952 -1.962 -0.728) 3.619 11.060 ( 1.837 -1.901 1.222) 2.912 11.280 ( -5.933 1.564 2.682) 6.696 11.525 ( -7.490 -0.184 5.678) 9.400 11.850 ( -1.140 -5.694 6.433) 8.666 11.936 ( -9.649 2.265 2.583) 10.242 12.195 ( -3.928 -9.848 8.019) 13.294 12.572 ( 8.928 -19.063 2.946) 21.255 12.715 ( 2.715 -7.712 9.607) 12.615 13.067 ( -1.560 -15.432 -0.135) 15.511 13.170 ( -4.428 -7.177 -5.123) 9.867 13.496 ( 12.315 -19.627 -17.478) 29.023 14.156 ( 5.231 -4.075 0.917) 6.693 14.447 ( 2.640 3.397 -11.490) 12.269 14.872 ( 6.099 -8.418 -9.113) 13.824 15.232 ( -8.707 6.693 -9.853) 14.754 15.511 ( -4.917 -7.950 -12.013) 15.221 15.768 ( 7.294 4.586 13.851) 16.312 16.182 ( 1.902 14.360 9.689) 17.428 16.451 ( -1.274 9.907 0.693) 10.013 16.665 ( -1.347 3.130 6.729) 7.542 17.007 ( -6.926 6.147 -5.521) 10.781 17.150 ( -1.947 8.143 4.680) 9.591 17.375 ( 2.156 7.373 2.401) 8.048 17.702 ( 0.572 -0.583 -7.721) 7.764 25.009 ( -2.946 10.270 -1.338) 10.768 25.041 ( -0.100 12.107 -0.996) 12.148 25.231 ( 3.254 2.225 1.049) 4.079 25.298 ( 3.484 1.861 -0.130) 3.952 25.392 ( -0.778 -1.083 0.811) 1.561 25.497 ( -2.217 -0.644 -0.830) 2.453 25.825 ( 0.201 -0.847 6.071) 6.133 25.980 ( 5.493 -1.309 0.302) 5.655 26.193 ( -2.140 2.571 6.619) 7.416 26.340 ( -3.090 0.337 2.800) 4.184 26.514 ( -0.464 1.419 -0.470) 1.565 26.583 ( 2.125 -1.758 -2.891) 3.995 26.801 ( 5.865 -3.424 4.409) 8.097 26.969 ( 3.382 -6.557 4.600) 8.695 27.183 ( 1.689 -6.110 -3.237) 7.118 27.301 ( -0.100 -5.352 -2.456) 5.889 29.131 ( 2.682 8.949 7.131) 11.753 29.705 ( 5.500 -5.724 3.144) 8.538 30.208 ( -2.698 -11.074 -8.128) 13.999 30.716 ( -7.431 -4.586 -11.999) 14.840 ======================= Grid point 67 (27/54) ======================= q-point: ( 0.40 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 23.361 8.830 8.599) 26.413 2.327 ( 18.923 12.996 3.053) 23.158 2.667 ( -16.497 1.168 3.958) 17.006 2.794 ( -17.334 1.356 -1.374) 17.441 3.031 ( -12.052 0.186 5.224) 13.137 3.208 ( -1.350 5.627 -2.097) 6.155 3.275 ( -0.969 -3.086 2.392) 4.023 3.532 ( 3.869 -0.221 -10.671) 11.353 3.709 ( -3.443 -1.679 -3.238) 5.016 3.776 ( 3.787 -1.235 -5.785) 7.024 3.893 ( -2.894 0.771 -11.949) 12.319 4.030 ( 3.875 -3.827 -5.048) 7.426 4.082 ( -1.582 1.704 -2.308) 3.276 4.204 ( -1.539 1.009 -4.729) 5.075 4.310 ( 17.235 17.727 8.168) 26.038 4.529 ( -0.141 3.103 7.897) 8.486 4.642 ( 2.047 -2.962 6.313) 7.268 4.773 ( 3.302 0.303 5.815) 6.694 4.811 ( -1.610 1.785 5.394) 5.905 5.010 ( 5.788 -4.031 7.736) 10.468 5.070 ( 1.625 -6.300 8.123) 10.407 5.126 ( 0.107 -3.554 4.746) 5.930 5.300 ( -3.169 -9.532 6.728) 12.090 5.432 ( 4.603 2.577 -2.087) 5.673 5.528 ( 2.220 -3.178 -0.536) 3.913 5.606 ( -9.775 -4.511 2.728) 11.106 5.722 ( -10.211 -0.233 -2.020) 10.412 5.793 ( -3.379 -8.996 -1.577) 9.738 5.967 ( 4.434 -0.613 -0.808) 4.548 6.002 ( 2.022 -1.221 -2.044) 3.124 6.060 ( -2.693 -2.790 -3.943) 5.530 6.184 ( -1.898 3.538 4.487) 6.021 6.337 ( 1.540 1.883 -3.227) 4.041 6.422 ( -1.048 1.631 -3.542) 4.037 6.539 ( -0.724 -0.766 2.539) 2.749 6.740 ( -10.691 1.803 -1.381) 10.929 6.882 ( -4.545 -8.476 -1.182) 9.690 7.083 ( 3.842 1.053 -3.447) 5.268 7.108 ( 0.435 -2.172 -3.635) 4.256 7.243 ( 2.575 -3.223 0.005) 4.125 7.330 ( 2.985 -4.129 6.412) 8.190 7.431 ( -4.576 -0.445 3.252) 5.632 7.477 ( -4.544 -2.380 0.603) 5.165 7.691 ( 2.549 -2.175 -0.882) 3.465 7.805 ( 2.820 2.717 0.540) 3.953 7.899 ( 9.683 7.080 -0.753) 12.019 7.957 ( 1.130 -5.722 -2.423) 6.316 8.168 ( -3.865 2.655 -3.250) 5.706 8.335 ( -2.736 6.605 -1.670) 7.341 8.441 ( 13.019 -1.516 -3.191) 13.490 8.638 ( -5.945 2.622 3.820) 7.538 8.737 ( -0.101 0.029 0.294) 0.313 9.021 ( 2.608 1.401 -6.270) 6.934 9.332 ( 10.439 -0.191 3.681) 11.070 9.402 ( 2.507 5.759 -0.193) 6.284 9.533 ( -3.759 -6.039 -15.171) 16.756 9.697 ( 6.054 6.707 -0.404) 9.045 9.844 ( 9.895 -3.342 -0.977) 10.490 9.996 ( -4.496 -3.270 -0.117) 5.560 10.175 ( -0.943 -3.739 -1.194) 4.036 10.426 ( -8.572 -0.486 4.002) 9.473 10.572 ( -8.017 -0.614 8.127) 11.432 10.636 ( -0.958 -3.666 3.487) 5.149 10.732 ( -2.238 -5.036 0.346) 5.522 11.080 ( 1.874 3.447 0.039) 3.924 11.138 ( -5.837 4.933 3.322) 8.333 11.465 ( -0.377 6.152 -2.021) 6.487 11.746 ( -4.894 -4.584 0.023) 6.705 11.830 ( 0.283 -5.064 5.723) 7.647 12.137 ( -2.385 -23.593 9.505) 25.547 12.697 ( 2.417 -20.661 4.742) 21.336 12.884 ( 8.917 -18.854 8.336) 22.460 13.053 ( -1.795 -11.675 -6.282) 13.379 13.095 ( -1.279 -10.660 0.288) 10.740 13.678 ( 3.700 -12.177 -28.066) 30.817 14.257 ( 3.685 4.632 -15.506) 16.597 14.489 ( 0.714 4.516 2.835) 5.380 14.935 ( -1.446 -9.622 -5.491) 11.172 15.121 ( -0.046 1.318 -8.249) 8.354 15.406 ( -3.625 -8.366 -15.648) 18.110 15.938 ( 6.438 9.408 10.882) 15.760 16.219 ( 0.808 5.625 20.612) 21.381 16.422 ( -0.667 3.839 1.007) 4.025 16.602 ( -3.372 2.541 6.207) 7.507 16.891 ( -2.920 6.186 -3.552) 7.708 17.096 ( -1.982 10.357 9.448) 14.158 17.437 ( 2.605 13.412 0.190) 13.664 17.685 ( -1.435 1.903 -11.221) 11.471 24.965 ( -0.973 9.981 0.083) 10.028 25.042 ( 0.100 12.064 -1.349) 12.140 25.300 ( 2.588 2.255 1.698) 3.830 25.349 ( -0.191 -0.284 1.276) 1.321 25.386 ( 0.960 -0.517 -0.505) 1.202 25.464 ( -0.733 2.032 -0.508) 2.219 25.795 ( -1.523 -0.762 9.562) 9.713 26.051 ( -1.186 0.415 2.162) 2.501 26.195 ( 4.000 -0.694 5.075) 6.499 26.344 ( 2.986 0.845 2.701) 4.114 26.455 ( -4.770 1.329 0.781) 5.013 26.587 ( -0.953 -0.416 -3.646) 3.791 26.966 ( 7.080 -5.866 0.987) 9.247 27.021 ( 1.686 -7.326 0.799) 7.560 27.157 ( -3.927 -6.626 -1.745) 7.898 27.324 ( 1.344 -2.695 -4.183) 5.154 29.181 ( 1.394 11.168 7.584) 13.572 29.844 ( 5.428 -15.297 3.659) 16.638 30.141 ( -2.660 -5.197 -12.441) 13.742 30.557 ( -5.122 -6.934 -9.414) 12.765 ======================= Grid point 70 (28/54) ======================= q-point: ( 0.00 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.000 20.827 3.671) 21.148 2.522 ( 0.000 -13.920 17.328) 22.227 2.692 ( 0.000 22.925 11.428) 25.616 2.849 ( 0.000 -0.243 -8.034) 8.038 3.149 ( 0.000 -17.981 8.090) 19.717 3.209 ( 0.000 -4.868 -2.611) 5.524 3.345 ( 0.000 -0.311 3.022) 3.038 3.508 ( 0.000 0.873 7.440) 7.491 3.636 ( 0.000 7.988 -9.923) 12.739 3.672 ( 0.000 -1.444 1.876) 2.368 3.785 ( 0.000 3.160 -8.508) 9.076 4.068 ( 0.000 2.480 7.138) 7.557 4.107 ( 0.000 2.618 1.048) 2.820 4.206 ( 0.000 5.920 8.589) 10.432 4.428 ( 0.000 5.121 -6.103) 7.967 4.591 ( 0.000 -4.010 -2.534) 4.743 4.696 ( 0.000 1.890 1.310) 2.299 4.790 ( 0.000 -1.725 3.163) 3.603 4.866 ( 0.000 -8.936 -1.215) 9.018 4.884 ( 0.000 -3.716 5.839) 6.921 4.942 ( 0.000 -0.417 -2.936) 2.966 5.035 ( 0.000 4.783 3.897) 6.169 5.244 ( 0.000 -5.214 4.032) 6.591 5.321 ( 0.000 3.715 3.277) 4.954 5.387 ( 0.000 7.055 1.375) 7.188 5.731 ( 0.000 -7.186 -4.508) 8.483 5.793 ( 0.000 0.862 -5.312) 5.381 5.890 ( 0.000 -3.267 -0.601) 3.322 5.940 ( 0.000 -0.727 -12.709) 12.730 6.001 ( 0.000 -2.780 -0.547) 2.833 6.109 ( 0.000 -9.280 -1.659) 9.427 6.196 ( 0.000 -0.357 -1.076) 1.133 6.442 ( 0.000 1.498 3.751) 4.039 6.567 ( 0.000 0.800 -6.185) 6.237 6.609 ( 0.000 5.417 0.640) 5.455 6.683 ( 0.000 -9.770 -1.032) 9.825 6.756 ( 0.000 5.998 4.683) 7.610 6.914 ( 0.000 6.577 5.955) 8.872 7.090 ( 0.000 -8.411 1.751) 8.591 7.197 ( 0.000 -2.531 4.038) 4.766 7.254 ( 0.000 -3.252 6.256) 7.051 7.321 ( 0.000 0.783 -2.442) 2.564 7.439 ( 0.000 -6.291 -2.145) 6.647 7.559 ( 0.000 -4.401 -0.374) 4.417 7.686 ( 0.000 -3.184 1.322) 3.448 7.973 ( 0.000 -4.223 -1.016) 4.344 7.989 ( 0.000 -1.216 -3.608) 3.808 8.029 ( 0.000 6.617 -0.593) 6.643 8.200 ( 0.000 -0.293 1.157) 1.194 8.389 ( 0.000 -1.245 -6.722) 6.836 8.653 ( 0.000 1.776 -8.953) 9.128 8.670 ( 0.000 -2.265 5.501) 5.949 8.965 ( 0.000 2.722 -9.203) 9.597 9.033 ( 0.000 -7.307 -4.170) 8.413 9.243 ( 0.000 6.321 1.795) 6.571 9.544 ( 0.000 2.246 2.761) 3.559 9.664 ( 0.000 -6.912 -9.546) 11.785 9.694 ( 0.000 7.634 -0.835) 7.680 10.053 ( 0.000 -5.374 14.340) 15.314 10.368 ( 0.000 -0.616 -1.984) 2.078 10.457 ( 0.000 5.544 -4.399) 7.077 10.510 ( 0.000 -0.514 -0.925) 1.058 10.564 ( 0.000 -1.550 -1.093) 1.896 10.782 ( 0.000 -7.403 -0.258) 7.408 11.171 ( 0.000 1.801 6.819) 7.053 11.210 ( 0.000 -15.893 9.679) 18.608 11.409 ( 0.000 -0.079 -2.413) 2.414 11.752 ( 0.000 -0.430 1.044) 1.129 12.142 ( 0.000 -0.292 -2.708) 2.723 12.343 ( 0.000 -5.380 2.608) 5.979 12.524 ( 0.000 -4.276 3.524) 5.541 12.592 ( 0.000 6.498 11.541) 13.244 12.618 ( 0.000 -23.036 -16.277) 28.206 12.914 ( 0.000 -7.201 11.062) 13.199 13.195 ( 0.000 -2.051 4.205) 4.679 13.800 ( 0.000 -11.727 8.697) 14.600 14.500 ( 0.000 3.246 -16.518) 16.834 14.613 ( 0.000 -8.226 -12.461) 14.932 15.483 ( 0.000 2.319 -11.845) 12.070 15.640 ( 0.000 14.119 -15.823) 21.207 15.730 ( 0.000 2.243 19.281) 19.411 16.529 ( 0.000 15.761 4.316) 16.341 16.682 ( 0.000 -1.149 8.543) 8.620 16.719 ( 0.000 7.989 -3.437) 8.697 17.203 ( 0.000 -0.831 -4.541) 4.616 17.279 ( 0.000 7.222 -8.358) 11.047 17.418 ( 0.000 1.376 5.740) 5.902 17.582 ( 0.000 -4.387 3.527) 5.629 25.234 ( 0.000 2.768 0.898) 2.910 25.241 ( 0.000 6.227 -1.368) 6.375 25.291 ( 0.000 2.082 -0.420) 2.124 25.294 ( 0.000 10.575 -1.007) 10.623 25.378 ( 0.000 -0.890 0.759) 1.170 25.521 ( 0.000 0.670 -2.423) 2.514 25.788 ( 0.000 -0.029 2.428) 2.428 25.892 ( 0.000 -1.216 0.174) 1.228 26.255 ( 0.000 -0.509 10.568) 10.580 26.350 ( 0.000 -0.125 1.260) 1.266 26.489 ( 0.000 -3.468 1.176) 3.662 26.535 ( 0.000 -1.761 4.452) 4.788 26.697 ( 0.000 -0.758 0.254) 0.800 26.849 ( 0.000 -1.945 4.433) 4.841 27.030 ( 0.000 -6.478 -4.785) 8.054 27.163 ( 0.000 -6.883 -2.854) 7.451 29.253 ( 0.000 4.715 2.610) 5.389 29.649 ( 0.000 3.466 7.012) 7.822 30.019 ( 0.000 -8.489 -5.747) 10.252 30.728 ( 0.000 -3.063 -12.255) 12.632 ======================= Grid point 71 (29/54) ======================= q-point: ( 0.20 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.763 17.947 2.387) 18.121 2.468 ( -3.735 16.408 8.862) 19.019 2.626 ( 4.167 -14.178 10.410) 18.077 2.916 ( 0.424 0.011 2.667) 2.701 3.104 ( -3.181 -5.925 4.232) 7.946 3.232 ( 2.405 -9.665 -5.451) 11.354 3.367 ( -7.800 0.848 0.471) 7.860 3.530 ( 4.530 2.256 -2.051) 5.461 3.661 ( -1.312 -0.054 -1.827) 2.250 3.739 ( 0.966 -0.012 -3.776) 3.898 3.854 ( 8.917 6.321 -4.242) 11.724 4.062 ( 3.465 5.073 1.130) 6.246 4.172 ( 2.590 5.038 8.601) 10.299 4.248 ( -2.983 4.526 -7.435) 9.201 4.288 ( 0.421 -0.638 1.445) 1.635 4.583 ( 0.587 -1.042 5.728) 5.852 4.695 ( -4.744 2.602 1.249) 5.553 4.723 ( -2.859 0.364 0.118) 2.884 4.856 ( -0.641 -2.224 5.949) 6.383 4.882 ( -0.002 -5.569 0.589) 5.600 4.961 ( 3.962 -1.154 1.337) 4.338 5.045 ( -0.555 4.290 2.127) 4.821 5.168 ( -4.164 -6.560 6.853) 10.361 5.329 ( -1.256 4.814 1.486) 5.192 5.463 ( 7.668 3.489 1.440) 8.547 5.614 ( -6.179 -8.789 -2.698) 11.077 5.789 ( -1.313 -3.519 -4.229) 5.656 5.859 ( -4.467 0.648 -5.100) 6.811 5.901 ( -0.647 -3.026 -2.927) 4.260 6.002 ( -2.040 -0.969 -4.774) 5.282 6.061 ( -3.504 -6.186 -1.637) 7.296 6.219 ( 0.640 -2.733 1.535) 3.199 6.350 ( -2.500 2.018 1.353) 3.487 6.502 ( -3.316 2.062 4.547) 5.994 6.574 ( -0.056 2.316 3.961) 4.589 6.722 ( 0.348 -8.300 -1.694) 8.478 6.964 ( 5.549 2.976 0.311) 6.304 7.000 ( -0.830 -2.104 0.658) 2.355 7.098 ( 5.859 5.537 -0.506) 8.078 7.193 ( -1.262 -0.178 -0.145) 1.283 7.269 ( 0.744 -2.880 4.025) 5.005 7.377 ( 1.203 -5.831 -0.456) 5.971 7.485 ( 5.120 -1.633 -0.702) 5.420 7.605 ( 7.002 -2.560 1.310) 7.570 7.714 ( 2.170 -0.555 0.823) 2.386 7.869 ( -6.306 1.250 -3.916) 7.528 7.970 ( -0.720 4.708 -6.555) 8.103 8.063 ( 6.164 -3.174 -3.824) 7.918 8.192 ( 1.736 0.169 3.153) 3.603 8.440 ( 1.079 -6.568 -4.091) 7.813 8.677 ( -3.440 2.569 -6.056) 7.424 8.778 ( 5.843 -2.286 -3.142) 7.017 8.895 ( 12.790 0.588 7.656) 14.917 9.107 ( -6.596 8.193 1.826) 10.675 9.260 ( 10.742 -5.470 -2.696) 12.352 9.511 ( -7.791 -9.038 -7.739) 14.223 9.734 ( 5.378 5.471 1.855) 7.893 9.787 ( 2.868 1.723 0.535) 3.389 9.976 ( -1.567 -3.623 -0.803) 4.028 10.236 ( -8.087 -0.063 -6.964) 10.672 10.380 ( 0.238 0.926 5.358) 5.443 10.580 ( -0.132 -1.874 -0.848) 2.061 10.668 ( -0.735 -3.936 -1.625) 4.321 10.892 ( 3.795 -0.754 -0.275) 3.879 11.006 ( -2.648 -3.028 5.156) 6.540 11.288 ( 0.820 -3.475 5.995) 6.978 11.413 ( 2.162 -5.151 0.377) 5.599 11.669 ( -8.766 -4.211 1.579) 9.853 11.941 ( -15.953 -6.915 -1.263) 17.433 12.105 ( -18.505 -5.385 7.495) 20.679 12.304 ( -5.444 -6.067 1.471) 8.284 12.612 ( 5.005 -2.348 9.786) 11.239 12.740 ( 2.198 -12.796 -4.265) 13.666 13.001 ( -1.268 -9.037 5.089) 10.448 13.248 ( 12.726 -4.362 -6.715) 15.035 14.112 ( 18.613 -0.147 4.507) 19.152 14.504 ( 1.520 1.339 -15.237) 15.371 14.694 ( 5.586 -7.849 -8.458) 12.820 15.398 ( -6.817 2.493 -12.247) 14.237 15.497 ( -11.064 13.084 -12.231) 21.052 15.841 ( 9.037 2.779 16.459) 18.981 16.465 ( -4.750 10.418 3.729) 12.041 16.590 ( -5.834 4.708 5.822) 9.492 16.700 ( -2.953 0.135 3.487) 4.571 17.096 ( -7.013 1.275 -5.103) 8.766 17.303 ( 0.483 6.293 3.272) 7.109 17.494 ( 5.776 2.464 -2.967) 6.945 17.643 ( 3.845 -2.250 -0.290) 4.464 25.180 ( -2.631 5.882 -0.271) 6.449 25.251 ( 0.429 6.065 -1.140) 6.186 25.316 ( 1.323 4.417 -0.152) 4.613 25.343 ( 2.799 3.721 0.386) 4.672 25.378 ( 0.405 0.547 1.123) 1.313 25.508 ( -0.184 1.943 -1.143) 2.262 25.814 ( 0.102 -0.206 4.493) 4.499 25.949 ( 5.204 -1.533 0.060) 5.425 26.215 ( -2.217 -0.201 6.882) 7.233 26.348 ( -3.077 0.305 3.416) 4.608 26.500 ( 2.984 -2.629 0.905) 4.079 26.540 ( 1.324 -1.806 -1.518) 2.706 26.733 ( 1.263 -3.238 3.689) 5.068 26.853 ( 0.952 -4.615 2.083) 5.152 27.039 ( -0.220 -7.487 -2.912) 8.036 27.186 ( 2.577 -5.020 -4.093) 6.971 29.298 ( 3.965 4.413 3.480) 6.878 29.649 ( -0.764 1.765 8.188) 8.411 30.019 ( 1.021 -6.597 -7.625) 10.134 30.630 ( -8.271 -3.090 -11.519) 14.513 ======================= Grid point 72 (30/54) ======================= q-point: ( 0.40 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 0.933 4.797 6.978) 8.519 2.579 ( 8.918 5.605 3.742) 11.178 2.700 ( 1.817 3.371 -1.471) 4.103 2.856 ( -4.907 4.394 -3.538) 7.477 3.007 ( -3.078 2.038 7.406) 8.276 3.140 ( -9.050 -0.880 -7.488) 11.779 3.421 ( 9.201 1.813 1.316) 9.469 3.524 ( -2.320 2.829 -0.332) 3.673 3.620 ( -0.425 -4.509 0.189) 4.533 3.762 ( 1.669 -1.256 -4.572) 5.026 3.842 ( -6.277 -3.680 -6.020) 9.444 3.987 ( -6.822 3.077 0.770) 7.523 4.162 ( 1.927 0.867 -6.483) 6.819 4.219 ( -2.177 1.262 -4.928) 5.533 4.484 ( -5.317 -0.680 -2.332) 5.846 4.622 ( 9.037 1.033 4.973) 10.367 4.655 ( 5.616 -0.689 3.577) 6.694 4.778 ( 2.360 -2.726 1.397) 3.867 4.831 ( -0.983 4.066 5.410) 6.839 4.923 ( 3.492 -4.279 9.038) 10.592 4.999 ( 2.940 -1.565 7.648) 8.342 5.089 ( 2.892 -0.135 6.310) 6.942 5.156 ( 2.117 -0.492 8.689) 8.957 5.348 ( 1.587 -3.758 -1.217) 4.257 5.506 ( 0.281 -2.505 2.473) 3.531 5.580 ( 0.990 3.970 -1.445) 4.340 5.664 ( -5.673 -0.708 -5.690) 8.066 5.774 ( -9.240 1.647 -2.258) 9.653 5.899 ( 1.340 -6.244 -1.396) 6.537 5.949 ( -1.723 -2.348 0.880) 3.042 6.022 ( 1.301 -1.001 -0.546) 1.730 6.212 ( -0.727 -2.230 5.032) 5.552 6.364 ( 2.300 0.910 -1.983) 3.170 6.440 ( -2.768 1.698 3.766) 4.973 6.620 ( 2.025 2.977 2.716) 4.510 6.665 ( -2.658 -7.304 -4.514) 8.988 6.783 ( -9.567 1.288 2.649) 10.010 7.005 ( -1.173 -1.273 0.120) 1.735 7.195 ( 1.508 1.434 -3.037) 3.681 7.224 ( 0.491 3.712 -3.743) 5.295 7.275 ( 4.085 -1.516 2.845) 5.204 7.382 ( 0.709 -0.467 0.617) 1.050 7.487 ( -7.052 0.709 -0.831) 7.136 7.659 ( -2.685 -1.244 -4.412) 5.313 7.781 ( 3.575 -1.965 -1.230) 4.261 7.918 ( 3.602 1.792 -0.458) 4.049 8.026 ( 10.822 3.005 -0.639) 11.250 8.198 ( -1.187 0.006 -2.545) 2.808 8.367 ( 1.083 -0.717 -0.759) 1.505 8.442 ( 16.454 -2.152 -3.040) 16.870 8.699 ( -7.092 3.221 0.609) 7.813 8.782 ( 2.176 3.382 0.703) 4.083 9.024 ( -3.394 -1.098 -4.287) 5.577 9.251 ( 0.356 -12.103 -5.275) 13.207 9.312 ( 12.104 -4.076 2.240) 12.967 9.567 ( 9.208 -0.091 -0.023) 9.208 9.719 ( 0.371 -0.311 0.436) 0.652 9.841 ( -1.817 1.716 -1.985) 3.191 9.949 ( -1.470 -0.477 -1.132) 1.916 10.114 ( -1.564 -1.169 -7.152) 7.414 10.342 ( -12.948 -6.218 6.425) 15.735 10.486 ( 1.047 -7.402 5.179) 9.094 10.630 ( -5.480 -3.083 0.150) 6.290 10.713 ( -4.750 9.170 2.024) 10.524 11.095 ( 2.487 -1.349 -4.199) 5.063 11.198 ( -8.660 -0.235 1.554) 8.802 11.447 ( -4.719 -7.218 -0.108) 8.624 11.583 ( 9.303 -7.756 3.808) 12.696 11.701 ( -3.015 -7.027 1.287) 7.754 11.836 ( -6.819 -7.305 10.011) 14.145 12.239 ( -2.910 -16.082 -1.657) 16.427 12.724 ( 5.018 -7.591 7.481) 11.780 12.787 ( 1.350 -9.690 1.012) 9.836 12.907 ( -4.323 -6.024 7.241) 10.364 13.535 ( 8.566 -2.071 -17.366) 19.474 14.375 ( 4.621 6.135 -16.396) 18.106 14.611 ( 8.417 4.072 1.053) 9.410 14.768 ( -1.724 -4.222 -3.368) 5.669 15.229 ( -4.992 -0.208 -13.605) 14.493 15.291 ( -6.388 7.546 -8.583) 13.093 16.080 ( 11.250 4.689 11.485) 16.747 16.360 ( -6.232 6.424 13.619) 16.297 16.468 ( -3.233 1.009 2.842) 4.421 16.616 ( -3.419 -1.590 5.024) 6.282 16.960 ( -4.077 -0.197 -3.803) 5.579 17.308 ( 0.120 9.332 8.747) 12.791 17.614 ( 4.268 -0.366 -9.186) 10.135 17.689 ( -0.003 3.667 -2.356) 4.359 25.140 ( -0.934 6.550 0.390) 6.627 25.262 ( 0.432 7.967 -1.975) 8.219 25.324 ( -0.215 -0.164 0.462) 0.535 25.370 ( 0.239 -0.740 -0.243) 0.814 25.418 ( 1.805 6.961 2.111) 7.494 25.530 ( 1.515 3.995 -0.389) 4.290 25.782 ( -1.695 -0.285 7.544) 7.737 26.039 ( 0.308 -1.842 1.043) 2.139 26.184 ( 1.793 -0.483 5.600) 5.900 26.349 ( 3.098 0.180 3.116) 4.398 26.460 ( -5.439 -0.585 0.453) 5.490 26.578 ( 0.302 -0.509 -3.030) 3.087 26.802 ( 4.958 -9.172 2.036) 10.623 26.879 ( 0.825 -6.113 -0.103) 6.169 26.993 ( -3.331 -8.545 -1.795) 9.345 27.258 ( 2.595 -3.320 -5.822) 7.187 29.413 ( 5.808 6.807 5.522) 10.515 29.584 ( -4.847 -5.690 8.090) 11.014 30.099 ( 5.489 0.048 -9.318) 10.815 30.421 ( -8.815 -5.263 -10.323) 14.559 ======================= Grid point 75 (31/54) ======================= q-point: ( 0.00 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 0.000 -12.436 24.474) 27.452 2.485 ( 0.000 0.886 1.478) 1.723 2.633 ( 0.000 -17.251 9.400) 19.646 2.663 ( 0.000 -11.778 3.123) 12.185 3.197 ( 0.000 8.281 -7.597) 11.238 3.274 ( 0.000 15.911 2.727) 16.143 3.399 ( 0.000 0.467 -3.588) 3.618 3.540 ( 0.000 1.117 2.980) 3.182 3.665 ( 0.000 -0.878 2.051) 2.231 3.785 ( 0.000 6.974 -8.715) 11.162 3.848 ( 0.000 3.859 -8.150) 9.018 4.132 ( 0.000 1.021 0.676) 1.225 4.196 ( 0.000 9.696 8.792) 13.089 4.359 ( 0.000 5.745 7.783) 9.674 4.472 ( 0.000 -6.431 2.956) 7.078 4.518 ( 0.000 -1.513 -3.622) 3.925 4.661 ( 0.000 -3.698 3.276) 4.940 4.711 ( 0.000 -0.930 -0.221) 0.956 4.812 ( 0.000 3.474 6.148) 7.062 4.845 ( 0.000 -3.415 3.301) 4.750 4.953 ( 0.000 -4.159 1.373) 4.380 4.967 ( 0.000 1.122 -1.223) 1.660 5.235 ( 0.000 -2.346 0.379) 2.376 5.437 ( 0.000 6.338 1.300) 6.470 5.448 ( 0.000 -0.382 -0.281) 0.474 5.654 ( 0.000 -4.310 -2.915) 5.203 5.693 ( 0.000 -6.569 -6.851) 9.491 5.799 ( 0.000 1.130 -4.096) 4.249 5.906 ( 0.000 -5.642 -11.709) 12.997 5.947 ( 0.000 -1.936 -1.589) 2.504 6.099 ( 0.000 4.785 3.834) 6.131 6.205 ( 0.000 2.401 2.544) 3.498 6.434 ( 0.000 -7.787 3.651) 8.601 6.517 ( 0.000 0.969 3.328) 3.467 6.548 ( 0.000 -1.715 -4.699) 5.002 6.715 ( 0.000 -0.445 5.766) 5.783 6.850 ( 0.000 1.950 5.242) 5.593 7.025 ( 0.000 5.344 -6.654) 8.534 7.042 ( 0.000 -2.025 4.651) 5.072 7.188 ( 0.000 5.531 4.063) 6.863 7.239 ( 0.000 4.599 4.884) 6.709 7.289 ( 0.000 -2.609 -3.196) 4.125 7.372 ( 0.000 0.400 -0.945) 1.027 7.507 ( 0.000 -0.750 4.008) 4.078 7.703 ( 0.000 4.231 5.510) 6.947 7.853 ( 0.000 -6.189 2.034) 6.515 7.993 ( 0.000 0.623 -9.972) 9.991 8.054 ( 0.000 -3.876 -3.613) 5.299 8.233 ( 0.000 -0.052 -0.650) 0.652 8.327 ( 0.000 -4.431 -5.124) 6.774 8.644 ( 0.000 -0.126 1.046) 1.054 8.684 ( 0.000 3.532 -10.689) 11.257 8.900 ( 0.000 -4.942 -4.028) 6.375 8.983 ( 0.000 -2.746 -8.040) 8.496 9.349 ( 0.000 2.107 0.140) 2.111 9.549 ( 0.000 -1.535 -3.224) 3.571 9.594 ( 0.000 2.393 2.840) 3.714 9.822 ( 0.000 4.084 -1.617) 4.393 9.948 ( 0.000 -4.249 10.813) 11.618 10.298 ( 0.000 -3.771 1.901) 4.223 10.435 ( 0.000 -4.772 0.961) 4.868 10.534 ( 0.000 -1.982 0.451) 2.033 10.551 ( 0.000 -0.424 -5.753) 5.769 10.660 ( 0.000 -1.063 -1.508) 1.845 11.007 ( 0.000 -3.920 7.527) 8.486 11.226 ( 0.000 3.622 4.572) 5.833 11.399 ( 0.000 -1.445 -2.676) 3.041 11.766 ( 0.000 1.499 1.308) 1.989 12.068 ( 0.000 -7.386 -8.338) 11.139 12.240 ( 0.000 -3.580 -1.630) 3.934 12.311 ( 0.000 -5.806 -10.330) 11.850 12.351 ( 0.000 -8.165 -1.210) 8.254 12.593 ( 0.000 -3.508 14.151) 14.580 12.966 ( 0.000 5.223 6.686) 8.484 13.179 ( 0.000 0.516 11.438) 11.449 13.601 ( 0.000 -6.875 9.917) 12.067 14.468 ( 0.000 -5.229 -12.389) 13.448 14.553 ( 0.000 1.760 -15.423) 15.523 15.603 ( 0.000 8.122 -9.010) 12.131 15.765 ( 0.000 1.111 18.871) 18.904 15.944 ( 0.000 12.698 -18.680) 22.588 16.638 ( 0.000 -1.721 8.727) 8.895 16.771 ( 0.000 6.458 -3.081) 7.156 16.835 ( 0.000 4.579 1.985) 4.990 17.072 ( 0.000 -10.646 -5.795) 12.121 17.410 ( 0.000 4.747 -7.231) 8.650 17.425 ( 0.000 0.133 7.730) 7.731 17.546 ( 0.000 0.050 5.785) 5.785 25.290 ( 0.000 2.303 0.811) 2.442 25.313 ( 0.000 1.413 -0.354) 1.457 25.327 ( 0.000 1.266 0.028) 1.266 25.361 ( 0.000 -0.578 1.414) 1.528 25.471 ( 0.000 5.897 -1.842) 6.178 25.556 ( 0.000 1.886 -2.323) 2.992 25.791 ( 0.000 0.235 1.682) 1.698 25.870 ( 0.000 -0.866 0.163) 0.881 26.240 ( 0.000 -0.591 8.769) 8.789 26.350 ( 0.000 0.227 1.287) 1.306 26.416 ( 0.000 -3.234 2.109) 3.861 26.479 ( 0.000 -2.985 6.366) 7.031 26.702 ( 0.000 1.190 -1.323) 1.779 26.819 ( 0.000 -0.974 2.266) 2.466 26.899 ( 0.000 -5.663 -4.006) 6.937 27.048 ( 0.000 -3.821 -3.758) 5.359 29.278 ( 0.000 -0.873 1.391) 1.642 29.762 ( 0.000 5.212 2.464) 5.765 29.900 ( 0.000 -2.813 -0.745) 2.910 30.686 ( 0.000 -1.084 -10.397) 10.454 ======================= Grid point 76 (32/54) ======================= q-point: ( 0.20 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 7.251 -8.908 15.789) 19.524 2.494 ( -6.910 -6.255 5.611) 10.879 2.590 ( 8.057 -0.856 0.767) 8.139 2.765 ( 5.697 -9.818 4.272) 12.128 3.183 ( -1.213 10.507 2.020) 10.768 3.246 ( 2.387 7.866 -4.167) 9.216 3.422 ( -1.383 2.134 -3.372) 4.224 3.561 ( 1.520 2.879 1.248) 3.486 3.622 ( -2.788 -3.180 -0.146) 4.232 3.814 ( -6.073 6.998 -5.045) 10.549 3.938 ( 3.321 1.359 -1.886) 4.053 4.110 ( 7.355 -0.534 -4.615) 8.700 4.209 ( -6.949 1.545 2.198) 7.450 4.301 ( -2.305 2.108 7.985) 8.574 4.370 ( -3.424 3.933 -2.434) 5.755 4.465 ( -1.692 -8.514 2.109) 8.933 4.629 ( -3.608 -6.443 1.861) 7.615 4.731 ( -4.009 -0.699 2.504) 4.778 4.765 ( 2.945 -0.903 4.827) 5.726 4.951 ( 1.045 2.545 2.181) 3.511 4.989 ( 3.945 -0.775 3.300) 5.201 5.033 ( 9.723 4.115 2.581) 10.869 5.183 ( -4.409 3.450 0.903) 5.671 5.361 ( -4.921 -4.682 0.958) 6.860 5.458 ( -3.165 -0.187 -4.053) 5.146 5.629 ( 4.804 4.847 -0.344) 6.833 5.710 ( -0.459 -3.159 -5.863) 6.676 5.806 ( 0.158 -0.775 -0.631) 1.012 5.900 ( -2.654 -0.449 -0.665) 2.772 5.948 ( 0.742 -3.914 -5.970) 7.177 6.024 ( -2.141 4.478 0.483) 4.987 6.154 ( -6.076 -3.211 1.094) 6.959 6.340 ( -2.858 -3.779 0.225) 4.743 6.515 ( -1.468 -2.136 2.169) 3.379 6.567 ( -3.373 -0.495 3.685) 5.020 6.703 ( 3.546 4.597 5.254) 7.831 6.926 ( 1.785 -5.267 0.792) 5.617 7.002 ( -4.375 0.972 1.560) 4.745 7.162 ( 3.551 -3.873 -1.048) 5.358 7.217 ( 1.454 3.738 2.799) 4.891 7.260 ( 2.750 -3.926 -3.265) 5.800 7.324 ( 11.380 6.739 -0.714) 13.245 7.445 ( 2.037 3.136 1.759) 4.132 7.621 ( 7.734 2.174 2.980) 8.569 7.728 ( 1.980 1.401 3.216) 4.028 7.873 ( 1.993 -1.439 -2.775) 3.708 7.976 ( 2.778 -3.268 -5.763) 7.184 8.071 ( 0.961 2.831 -5.842) 6.562 8.225 ( 3.614 1.646 1.558) 4.265 8.338 ( -7.048 -0.995 -3.309) 7.850 8.637 ( 12.414 -7.524 -4.364) 15.158 8.740 ( -4.763 -0.704 -6.481) 8.074 8.925 ( 8.901 2.503 -0.327) 9.252 9.136 ( 8.845 -6.481 -1.102) 11.020 9.227 ( -7.019 -2.166 -0.890) 7.399 9.326 ( -14.220 -1.586 -0.097) 14.309 9.791 ( 7.375 -0.264 0.708) 7.414 9.838 ( 2.552 2.972 0.067) 3.918 9.904 ( -2.027 -2.127 2.827) 4.077 10.222 ( -4.929 -1.762 -0.411) 5.250 10.368 ( -8.218 -1.206 -0.704) 8.336 10.566 ( 2.040 1.652 -1.276) 2.919 10.625 ( 3.220 -1.121 0.038) 3.410 10.821 ( 12.179 -6.084 -2.718) 13.883 10.978 ( -2.441 1.010 3.665) 4.518 11.180 ( -2.616 -3.488 4.542) 6.296 11.417 ( -0.886 2.205 -2.031) 3.126 11.629 ( -11.759 -0.543 2.109) 11.959 11.761 ( -16.292 -8.063 -2.817) 18.395 11.993 ( -20.253 -4.341 3.076) 20.941 12.163 ( -6.854 -6.571 -1.971) 9.698 12.505 ( 0.969 -6.616 -5.267) 8.512 12.613 ( 4.463 -1.845 10.339) 11.411 12.926 ( -3.269 0.697 16.581) 16.914 13.195 ( 13.592 -1.667 -5.042) 14.592 14.125 ( 29.712 0.837 4.604) 30.078 14.485 ( 1.220 -3.048 -13.461) 13.856 14.592 ( 3.351 -1.362 -11.120) 11.694 15.500 ( -8.915 7.151 -9.208) 14.677 15.800 ( -6.154 10.606 -9.489) 15.505 15.904 ( 5.663 5.311 10.101) 12.740 16.557 ( -6.151 -0.228 5.702) 8.390 16.645 ( -7.598 -0.314 -0.208) 7.608 16.738 ( -8.023 4.358 6.710) 11.331 17.026 ( -6.521 -7.540 -4.465) 10.923 17.404 ( 2.754 3.186 -0.816) 4.289 17.475 ( 3.484 -1.315 0.380) 3.743 17.668 ( 6.954 2.429 2.104) 7.661 25.269 ( -1.536 2.975 0.319) 3.363 25.312 ( 0.197 0.860 -0.078) 0.885 25.349 ( 0.868 0.315 -0.046) 0.925 25.369 ( 0.790 0.930 0.903) 1.518 25.495 ( 2.356 5.539 -0.731) 6.063 25.561 ( 1.142 2.338 -0.894) 2.752 25.817 ( 0.534 0.405 2.848) 2.926 25.920 ( 4.146 -1.186 -0.112) 4.314 26.199 ( -2.749 -1.034 7.170) 7.748 26.350 ( -1.387 -0.123 3.153) 3.447 26.445 ( 4.553 -1.952 1.607) 5.208 26.502 ( 1.275 -1.948 0.761) 2.450 26.669 ( -3.457 -2.477 1.866) 4.644 26.786 ( -1.285 -1.519 -0.189) 1.999 26.891 ( -1.599 -6.149 -1.915) 6.636 27.108 ( 4.625 -2.450 -5.098) 7.306 29.298 ( 1.744 -2.099 3.245) 4.240 29.764 ( -1.466 6.586 7.266) 9.915 29.926 ( 4.174 -2.879 -6.522) 8.261 30.592 ( -8.186 -0.798 -9.950) 12.910 ======================= Grid point 77 (33/54) ======================= q-point: ( 0.40 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.371 1.825 4.684) 6.661 2.499 ( 11.389 -5.915 2.174) 13.016 2.794 ( 3.574 2.678 -0.139) 4.468 2.915 ( 9.420 -1.139 -2.392) 9.785 3.162 ( -6.512 4.639 -3.977) 8.930 3.194 ( 0.486 8.871 -0.113) 8.885 3.415 ( -8.874 3.692 -3.012) 10.072 3.507 ( 3.426 -4.232 1.172) 5.570 3.662 ( -4.492 -4.255 0.754) 6.233 3.728 ( 11.529 9.156 7.423) 16.488 3.792 ( -10.121 -1.988 -2.344) 10.577 4.088 ( -11.244 4.268 3.445) 12.510 4.153 ( 0.668 -1.147 -2.252) 2.614 4.235 ( 0.168 1.010 -2.622) 2.815 4.413 ( 1.318 -7.014 -2.109) 7.442 4.549 ( 4.767 -7.250 0.672) 8.703 4.564 ( -0.721 -3.731 1.537) 4.099 4.658 ( 1.609 -4.746 4.648) 6.835 4.799 ( -5.015 -3.597 3.000) 6.862 4.902 ( -1.020 -2.686 1.281) 3.146 5.041 ( -0.542 4.380 4.869) 6.571 5.091 ( -2.778 1.869 3.949) 5.178 5.241 ( 9.407 6.276 1.562) 11.416 5.381 ( 2.980 1.314 -2.917) 4.372 5.480 ( 5.160 -0.259 -1.564) 5.398 5.627 ( -4.105 2.179 -0.897) 4.733 5.756 ( 3.594 4.477 0.267) 5.747 5.788 ( -2.940 -0.142 -0.963) 3.097 5.815 ( -1.621 2.319 0.558) 2.884 5.909 ( -4.247 -1.000 0.692) 4.418 5.991 ( -0.385 -1.544 1.198) 1.992 6.134 ( 2.009 -5.240 0.608) 5.645 6.332 ( 2.628 -3.967 -1.500) 4.989 6.450 ( -4.560 -3.032 1.553) 5.692 6.502 ( -1.633 -0.729 4.144) 4.514 6.681 ( -6.632 0.931 3.022) 7.347 6.901 ( 2.920 6.165 1.775) 7.049 7.038 ( 4.779 2.206 1.241) 5.408 7.179 ( -3.039 -3.418 1.459) 4.801 7.205 ( 0.096 -0.839 -1.086) 1.375 7.298 ( 0.777 1.315 0.963) 1.805 7.421 ( -0.142 -1.116 -3.966) 4.122 7.534 ( -0.998 7.160 -1.054) 7.306 7.666 ( -1.033 2.729 -4.520) 5.381 7.829 ( 4.176 3.229 2.059) 5.666 7.944 ( 0.899 2.431 -4.490) 5.184 8.041 ( 4.281 -0.560 -4.435) 6.189 8.169 ( 2.637 -2.299 1.027) 3.646 8.287 ( 10.495 -8.329 -3.866) 13.945 8.388 ( 8.450 0.224 -2.079) 8.705 8.762 ( -4.666 -3.485 -2.450) 6.318 8.820 ( -3.515 3.496 -1.297) 5.125 8.926 ( -10.317 -7.848 -0.500) 12.973 9.030 ( 5.944 -3.661 -4.842) 8.495 9.272 ( 14.808 -2.391 6.137) 16.207 9.436 ( 11.466 -5.791 3.562) 13.330 9.755 ( -10.829 -5.542 -0.150) 12.165 9.836 ( 0.129 5.383 -1.842) 5.691 10.000 ( 9.776 2.631 -0.958) 10.169 10.121 ( -5.739 0.805 -8.226) 10.062 10.236 ( -11.713 -2.698 5.842) 13.364 10.343 ( -8.049 -5.465 3.759) 10.430 10.614 ( -8.661 1.180 0.806) 8.778 10.904 ( 1.399 7.159 -2.796) 7.812 11.034 ( 2.681 -3.113 -2.301) 4.709 11.157 ( -4.875 -2.564 -2.711) 6.139 11.279 ( -1.951 -6.453 2.554) 7.209 11.486 ( 2.978 -3.604 0.733) 4.732 11.611 ( -0.426 -1.255 2.062) 2.452 11.700 ( -5.540 -4.818 8.623) 11.325 12.014 ( -7.392 -6.833 -1.284) 10.148 12.465 ( -1.751 -11.286 -8.212) 14.066 12.720 ( 3.719 -1.336 20.356) 20.736 12.865 ( -1.851 0.291 9.872) 10.048 13.528 ( 10.964 0.340 -13.042) 17.042 14.467 ( 0.904 1.475 -16.837) 16.926 14.599 ( 3.491 -0.691 -5.412) 6.477 14.792 ( 19.875 1.730 -1.186) 19.985 15.224 ( -16.003 3.685 -9.273) 18.859 15.597 ( -7.035 15.636 -8.547) 19.158 16.148 ( 13.224 2.063 10.768) 17.178 16.449 ( -4.286 1.510 6.380) 7.833 16.483 ( -8.678 0.652 7.489) 11.481 16.548 ( -5.154 -3.596 4.787) 7.900 16.873 ( -4.945 -7.479 -3.360) 9.575 17.463 ( 1.602 5.247 7.350) 9.172 17.548 ( 2.256 -2.796 -9.659) 10.306 17.778 ( 2.656 2.926 0.213) 3.957 25.243 ( -0.650 3.468 0.590) 3.577 25.312 ( -0.104 -0.242 0.611) 0.665 25.357 ( 0.077 -0.334 -0.146) 0.372 25.385 ( 0.434 3.475 -1.511) 3.814 25.561 ( 2.602 5.601 0.910) 6.243 25.609 ( 2.378 2.903 0.177) 3.757 25.789 ( -1.922 1.002 5.508) 5.919 25.978 ( -0.348 -3.575 0.897) 3.702 26.173 ( 1.608 -0.479 5.478) 5.729 26.363 ( 2.439 1.181 2.478) 3.672 26.453 ( -4.380 0.335 1.228) 4.561 26.561 ( 1.721 -1.389 -3.206) 3.895 26.626 ( 2.142 -6.832 2.723) 7.661 26.772 ( -0.338 -3.763 -0.821) 3.866 26.829 ( -3.294 -6.516 -1.269) 7.410 27.200 ( 2.715 -2.069 -6.916) 7.713 29.342 ( 1.683 -5.101 7.553) 9.268 29.701 ( -2.660 7.679 6.109) 10.167 30.099 ( 10.750 -0.484 -8.140) 13.493 30.361 ( -12.077 -0.716 -9.185) 15.190 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.00 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 0.000 27.480) 27.480 2.422 ( 0.000 0.000 4.317) 4.317 2.432 ( 0.000 0.000 9.459) 9.459 2.577 ( 0.000 0.000 0.816) 0.816 3.331 ( 0.000 0.000 -6.608) 6.608 3.377 ( 0.000 -0.000 -6.468) 6.468 3.423 ( 0.000 0.000 -4.640) 4.640 3.570 ( 0.000 -0.000 2.809) 2.809 3.624 ( 0.000 0.000 3.053) 3.053 3.837 ( 0.000 0.000 -10.550) 10.550 4.026 ( 0.000 0.000 -1.941) 1.941 4.090 ( 0.000 0.000 2.646) 2.646 4.348 ( 0.000 -0.000 8.475) 8.475 4.406 ( 0.000 0.000 2.581) 2.581 4.428 ( 0.000 0.000 2.677) 2.677 4.444 ( 0.000 0.000 5.729) 5.729 4.647 ( 0.000 -0.000 11.433) 11.433 4.669 ( 0.000 0.000 1.592) 1.592 4.701 ( 0.000 0.000 5.301) 5.301 4.935 ( 0.000 0.000 -5.826) 5.826 4.955 ( 0.000 -0.000 0.956) 0.956 4.990 ( 0.000 0.000 -2.389) 2.389 5.161 ( 0.000 -0.000 -3.341) 3.341 5.428 ( 0.000 0.000 1.228) 1.228 5.495 ( 0.000 0.000 -4.978) 4.978 5.596 ( 0.000 0.000 -0.329) 0.329 5.667 ( 0.000 0.000 -1.925) 1.925 5.771 ( 0.000 -0.000 -8.703) 8.703 5.852 ( 0.000 0.000 -5.176) 5.176 5.923 ( 0.000 0.000 -6.093) 6.093 6.182 ( 0.000 0.000 6.138) 6.138 6.250 ( 0.000 0.000 1.870) 1.870 6.307 ( 0.000 -0.000 7.146) 7.146 6.524 ( 0.000 0.000 -3.928) 3.928 6.557 ( 0.000 -0.000 3.005) 3.005 6.663 ( 0.000 0.000 4.556) 4.556 6.850 ( 0.000 0.000 5.521) 5.521 6.996 ( 0.000 0.000 4.393) 4.393 7.167 ( 0.000 -0.000 -5.865) 5.865 7.230 ( 0.000 0.000 -7.861) 7.861 7.258 ( 0.000 0.000 4.072) 4.072 7.337 ( 0.000 0.000 -0.166) 0.166 7.405 ( 0.000 0.000 2.502) 2.502 7.521 ( 0.000 0.000 12.615) 12.615 7.756 ( 0.000 0.000 -2.256) 2.256 7.791 ( 0.000 0.000 8.502) 8.502 7.970 ( 0.000 -0.000 -4.927) 4.927 8.005 ( 0.000 0.000 -10.531) 10.531 8.190 ( 0.000 0.000 -4.648) 4.648 8.263 ( 0.000 0.000 -3.216) 3.216 8.649 ( 0.000 0.000 -1.518) 1.518 8.794 ( 0.000 0.000 -1.546) 1.546 8.845 ( 0.000 0.000 -4.317) 4.317 8.878 ( 0.000 0.000 -11.368) 11.368 9.359 ( 0.000 0.000 -2.888) 2.888 9.562 ( 0.000 0.000 -2.696) 2.696 9.625 ( 0.000 0.000 2.428) 2.428 9.859 ( 0.000 0.000 -1.543) 1.543 9.898 ( 0.000 0.000 8.934) 8.934 10.253 ( 0.000 0.000 6.358) 6.358 10.380 ( 0.000 0.000 2.579) 2.579 10.505 ( 0.000 0.000 0.879) 0.879 10.516 ( 0.000 0.000 -6.307) 6.307 10.677 ( 0.000 0.000 -2.130) 2.130 10.979 ( 0.000 0.000 6.061) 6.061 11.295 ( 0.000 0.000 4.447) 4.447 11.356 ( 0.000 0.000 -5.472) 5.472 11.795 ( 0.000 0.000 4.161) 4.161 11.958 ( 0.000 0.000 -13.358) 13.358 12.204 ( 0.000 0.000 -3.100) 3.100 12.255 ( 0.000 0.000 -2.121) 2.121 12.270 ( 0.000 0.000 -7.838) 7.838 12.555 ( 0.000 0.000 17.083) 17.083 13.014 ( 0.000 0.000 0.175) 0.175 13.194 ( 0.000 0.000 16.750) 16.750 13.528 ( 0.000 0.000 10.367) 10.367 14.411 ( 0.000 0.000 -12.299) 12.299 14.571 ( 0.000 0.000 -15.008) 15.008 15.717 ( 0.000 0.000 -8.516) 8.516 15.776 ( 0.000 0.000 18.625) 18.625 16.081 ( 0.000 0.000 -19.220) 19.220 16.651 ( 0.000 0.000 7.219) 7.219 16.822 ( 0.000 0.000 -7.908) 7.908 16.898 ( 0.000 0.000 6.203) 6.203 16.899 ( 0.000 0.000 -2.625) 2.625 17.428 ( 0.000 0.000 7.726) 7.726 17.461 ( 0.000 0.000 -6.806) 6.806 17.549 ( 0.000 0.000 5.407) 5.407 25.317 ( 0.000 0.000 0.722) 0.722 25.325 ( 0.000 0.000 -0.271) 0.271 25.340 ( 0.000 0.000 0.314) 0.314 25.354 ( 0.000 0.000 1.682) 1.682 25.535 ( 0.000 0.000 -2.286) 2.286 25.576 ( 0.000 0.000 -1.875) 1.875 25.794 ( 0.000 0.000 1.312) 1.312 25.860 ( 0.000 0.000 0.157) 0.157 26.235 ( 0.000 0.000 7.492) 7.492 26.365 ( 0.000 -0.000 1.588) 1.588 26.367 ( 0.000 0.000 2.012) 2.012 26.442 ( 0.000 0.000 7.373) 7.373 26.727 ( 0.000 0.000 -1.958) 1.958 26.809 ( 0.000 0.000 1.689) 1.689 26.825 ( 0.000 0.000 -3.480) 3.480 27.009 ( 0.000 0.000 -3.976) 3.976 29.264 ( 0.000 0.000 1.558) 1.558 29.810 ( 0.000 0.000 -8.061) 8.061 29.887 ( 0.000 0.000 9.192) 9.192 30.676 ( 0.000 0.000 -9.556) 9.556 ======================= Grid point 82 (35/54) ======================= q-point: ( 0.20 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 10.440 -0.000 19.530) 22.146 2.365 ( -0.892 0.000 5.522) 5.594 2.589 ( 10.338 0.000 4.011) 11.089 2.654 ( 7.190 0.000 -0.316) 7.197 3.319 ( -0.942 0.000 -4.780) 4.872 3.350 ( -2.450 -0.000 -4.738) 5.334 3.415 ( -2.148 -0.000 -3.008) 3.697 3.573 ( -2.409 0.000 0.923) 2.580 3.643 ( 7.393 -0.000 2.882) 7.935 3.894 ( -7.506 0.000 -0.786) 7.547 3.988 ( 2.173 0.000 -2.630) 3.412 4.052 ( -3.972 0.000 -2.882) 4.908 4.285 ( -6.061 -0.000 -0.093) 6.062 4.286 ( -0.748 0.000 2.120) 2.248 4.360 ( -4.213 0.000 7.566) 8.660 4.423 ( -5.242 -0.000 -0.451) 5.262 4.523 ( -5.133 0.000 6.669) 8.416 4.727 ( -6.731 0.000 2.378) 7.138 4.774 ( 6.990 0.000 2.148) 7.313 4.891 ( 2.632 0.000 6.788) 7.280 5.008 ( 5.851 0.000 -3.024) 6.586 5.185 ( 10.886 0.000 4.292) 11.702 5.189 ( 4.438 -0.000 -4.882) 6.598 5.309 ( -9.973 0.000 5.355) 11.320 5.415 ( -4.244 0.000 -5.389) 6.860 5.625 ( 1.319 0.000 -4.833) 5.010 5.725 ( 4.591 0.000 -1.879) 4.960 5.831 ( 0.676 0.000 -3.493) 3.557 5.854 ( 0.612 -0.000 -4.442) 4.484 5.947 ( 4.887 -0.000 -2.352) 5.423 6.075 ( -12.074 0.000 -1.012) 12.117 6.178 ( -3.617 0.000 5.486) 6.571 6.222 ( -2.619 0.000 1.314) 2.931 6.500 ( -1.594 -0.000 0.481) 1.665 6.559 ( -3.064 0.000 4.194) 5.194 6.763 ( 2.745 0.000 4.530) 5.297 6.841 ( 5.941 0.000 4.080) 7.207 7.003 ( -7.735 0.000 -0.947) 7.793 7.119 ( 3.237 0.000 -0.453) 3.268 7.208 ( -0.202 0.000 -5.589) 5.592 7.298 ( 2.467 -0.000 1.200) 2.743 7.359 ( 3.275 0.000 5.060) 6.027 7.571 ( 9.680 -0.000 0.628) 9.700 7.656 ( 10.911 0.000 0.483) 10.921 7.732 ( -3.398 0.000 6.724) 7.534 7.849 ( 7.635 -0.000 0.498) 7.651 7.911 ( -1.361 0.000 -6.223) 6.370 8.103 ( 2.331 0.000 -6.349) 6.763 8.297 ( 13.215 0.000 -1.515) 13.302 8.311 ( -8.510 -0.000 -6.062) 10.448 8.516 ( 5.182 0.000 1.636) 5.434 8.722 ( -5.217 0.000 -9.976) 11.258 8.981 ( 9.121 -0.000 1.058) 9.182 9.020 ( 5.880 0.000 -4.357) 7.319 9.164 ( -11.455 0.000 -0.368) 11.461 9.357 ( -11.020 0.000 -0.531) 11.033 9.777 ( 6.232 0.000 0.073) 6.232 9.869 ( -0.090 0.000 6.155) 6.156 9.895 ( 0.081 0.000 -2.420) 2.421 10.188 ( -1.749 0.000 6.355) 6.591 10.362 ( -9.069 0.000 -4.629) 10.182 10.592 ( -2.661 0.000 -0.652) 2.739 10.621 ( 14.304 0.000 1.330) 14.366 10.735 ( 6.682 0.000 -3.983) 7.779 10.999 ( 4.974 0.000 1.450) 5.181 11.145 ( -11.273 0.000 3.162) 11.708 11.449 ( 1.409 0.000 -3.160) 3.460 11.640 ( -11.493 -0.000 4.695) 12.415 11.651 ( -17.469 0.000 -5.718) 18.381 11.946 ( -21.600 0.000 4.744) 22.115 12.086 ( -5.016 0.000 -4.773) 6.924 12.434 ( -0.720 0.000 -8.206) 8.238 12.591 ( 5.048 0.000 15.731) 16.521 12.943 ( -6.452 0.000 18.247) 19.354 13.176 ( 15.827 0.000 -5.623) 16.796 14.135 ( 33.626 0.000 4.219) 33.890 14.443 ( 1.914 0.000 -11.403) 11.563 14.587 ( 1.278 0.000 -13.446) 13.507 15.601 ( -10.192 0.000 -8.389) 13.200 15.865 ( 6.316 0.000 8.916) 10.927 16.025 ( -4.168 0.000 -10.217) 11.034 16.550 ( -6.493 0.000 7.650) 10.034 16.636 ( -10.001 0.000 -2.177) 10.235 16.793 ( -9.373 0.000 6.764) 11.559 16.902 ( -5.401 0.000 -2.909) 6.135 17.433 ( 2.759 0.000 -7.594) 8.080 17.470 ( 2.994 0.000 8.075) 8.612 17.695 ( 7.285 0.000 1.523) 7.443 25.303 ( -1.297 -0.000 0.140) 1.305 25.316 ( -0.307 0.000 0.615) 0.687 25.351 ( 0.356 0.000 0.097) 0.369 25.382 ( 2.278 0.000 0.884) 2.444 25.556 ( 2.197 0.000 -1.418) 2.615 25.585 ( 1.305 0.000 -0.491) 1.395 25.823 ( 1.118 0.000 1.970) 2.265 25.906 ( 3.304 0.000 -0.172) 3.308 26.185 ( -3.289 0.000 7.477) 8.169 26.348 ( 0.114 0.000 2.480) 2.483 26.426 ( 4.499 0.000 2.106) 4.968 26.476 ( 1.871 0.000 2.384) 3.031 26.643 ( -6.019 0.000 0.090) 6.020 26.786 ( -2.550 -0.000 -1.985) 3.232 26.809 ( -1.236 0.000 -0.091) 1.239 27.083 ( 5.160 0.000 -5.352) 7.434 29.272 ( 0.659 0.000 3.674) 3.733 29.850 ( -2.955 -0.000 8.092) 8.615 29.886 ( 6.817 0.000 -8.058) 10.555 30.586 ( -7.896 -0.000 -9.139) 12.077 ======================= Grid point 84 (36/54) ======================= q-point: ( 0.40 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.088 0.000 2.075) 2.077 2.437 ( 10.073 0.000 1.977) 10.265 2.807 ( 2.034 0.000 1.791) 2.710 2.901 ( 17.876 0.000 -0.930) 17.900 3.249 ( -8.599 -0.000 -4.574) 9.740 3.256 ( 0.103 0.000 -3.837) 3.838 3.419 ( 2.346 -0.000 1.719) 2.908 3.514 ( -6.452 0.000 2.868) 7.061 3.629 ( -7.886 0.000 1.497) 8.027 3.753 ( -15.373 0.000 -2.196) 15.529 3.916 ( 15.017 -0.000 4.744) 15.748 4.025 ( 4.355 0.000 0.277) 4.364 4.203 ( -7.904 0.000 2.177) 8.199 4.240 ( -9.505 0.000 0.908) 9.548 4.339 ( 4.809 0.000 -0.635) 4.851 4.428 ( 2.831 0.000 -0.828) 2.949 4.490 ( 1.630 -0.000 7.538) 7.712 4.628 ( -0.288 0.000 -0.825) 0.874 4.777 ( -10.354 0.000 9.375) 13.968 4.860 ( 1.637 -0.000 -7.433) 7.611 5.091 ( 1.822 0.000 -2.313) 2.944 5.122 ( -3.478 0.000 13.519) 13.960 5.284 ( -0.487 0.000 -6.036) 6.055 5.426 ( 5.053 0.000 -6.956) 8.597 5.459 ( 10.534 -0.000 2.097) 10.740 5.658 ( -0.686 0.000 0.639) 0.938 5.765 ( -7.953 0.000 -3.063) 8.522 5.838 ( 6.626 0.000 -1.980) 6.915 5.865 ( 0.399 -0.000 -0.641) 0.755 5.885 ( 4.174 0.000 2.215) 4.725 6.013 ( -3.647 0.000 -4.635) 5.898 6.044 ( -8.025 -0.000 5.489) 9.723 6.273 ( 6.716 0.000 0.191) 6.718 6.429 ( -5.401 0.000 2.945) 6.152 6.500 ( -1.330 0.000 5.290) 5.454 6.690 ( -6.389 0.000 0.991) 6.465 6.945 ( 3.655 0.000 6.970) 7.870 7.038 ( 7.990 0.000 1.122) 8.069 7.171 ( -1.312 -0.000 -1.368) 1.896 7.189 ( 1.714 0.000 -2.279) 2.852 7.332 ( -4.361 -0.000 3.186) 5.400 7.377 ( 1.725 0.000 -1.813) 2.502 7.635 ( -1.879 0.000 -0.613) 1.977 7.765 ( 0.067 -0.000 -5.686) 5.686 7.794 ( 7.043 0.000 1.852) 7.283 8.011 ( -10.659 -0.000 -3.230) 11.138 8.065 ( 6.267 -0.000 -10.529) 12.253 8.108 ( 12.761 0.000 2.957) 13.099 8.176 ( 7.883 -0.000 -4.424) 9.039 8.410 ( -0.914 0.000 -4.226) 4.323 8.631 ( -6.506 0.000 1.448) 6.665 8.820 ( -9.308 0.000 -0.776) 9.340 8.935 ( 0.933 0.000 1.950) 2.162 8.999 ( 15.303 0.000 -9.754) 18.147 9.208 ( 7.100 0.000 3.638) 7.978 9.396 ( 10.686 0.000 9.292) 14.161 9.681 ( -10.924 -0.000 2.519) 11.211 9.900 ( 1.997 0.000 -4.117) 4.576 10.024 ( 12.154 0.000 -1.830) 12.291 10.124 ( -14.282 0.000 -3.840) 14.789 10.233 ( 3.029 0.000 7.732) 8.305 10.273 ( -19.672 0.000 -2.636) 19.848 10.639 ( -12.249 0.000 0.387) 12.255 10.935 ( 9.412 0.000 -2.476) 9.733 11.062 ( 2.542 -0.000 -1.595) 3.002 11.101 ( -2.585 0.000 -3.954) 4.724 11.213 ( -4.959 0.000 2.285) 5.460 11.439 ( 0.099 0.000 -2.296) 2.298 11.604 ( 0.853 0.000 3.904) 3.996 11.660 ( -5.454 0.000 8.731) 10.295 11.939 ( -7.196 0.000 -1.647) 7.382 12.338 ( -3.965 0.000 -7.708) 8.668 12.705 ( 3.765 0.000 22.605) 22.916 12.872 ( -1.453 0.000 9.595) 9.704 13.532 ( 11.626 0.000 -12.104) 16.783 14.466 ( 0.197 0.000 -11.882) 11.884 14.609 ( 0.386 0.000 -12.099) 12.105 14.798 ( 26.131 0.000 -3.835) 26.411 15.294 ( -17.563 0.000 -4.565) 18.146 15.794 ( -6.706 0.000 -9.818) 11.890 16.170 ( 13.378 0.000 10.267) 16.864 16.453 ( -3.342 0.000 7.541) 8.248 16.469 ( -4.374 -0.000 1.879) 4.760 16.531 ( -12.260 0.000 8.541) 14.942 16.756 ( -4.988 -0.000 -2.359) 5.518 17.516 ( 2.796 0.000 -10.223) 10.599 17.522 ( 1.382 0.000 8.121) 8.238 17.807 ( 2.641 0.000 0.377) 2.668 25.281 ( -0.582 0.000 0.582) 0.824 25.309 ( -0.223 0.000 0.823) 0.853 25.354 ( 0.031 0.000 -0.094) 0.099 25.422 ( 0.937 0.000 -1.405) 1.689 25.630 ( 3.584 -0.000 0.330) 3.599 25.631 ( 2.167 0.000 0.661) 2.266 25.808 ( -1.705 0.000 4.323) 4.647 25.928 ( -1.761 0.000 1.352) 2.220 26.168 ( 2.068 0.000 5.291) 5.681 26.382 ( 1.871 0.000 1.058) 2.149 26.479 ( -3.171 0.000 4.912) 5.847 26.504 ( 0.663 -0.000 -1.892) 2.005 26.567 ( 2.875 0.000 -0.983) 3.039 26.738 ( -1.430 0.000 -1.061) 1.781 26.749 ( -3.452 0.000 -0.847) 3.554 27.178 ( 2.648 0.000 -7.244) 7.713 29.288 ( 0.633 0.000 8.008) 8.033 29.786 ( -2.072 0.000 5.577) 5.950 30.090 ( 11.236 0.000 -8.477) 14.075 30.360 ( -11.877 -0.000 -8.065) 14.356 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 0.000 38.210) 38.210 1.600 ( 0.000 0.000 36.833) 36.833 2.298 ( 0.000 0.000 -31.604) 31.604 2.318 ( 0.000 0.000 -28.695) 28.695 2.639 ( 0.000 0.000 48.553) 48.553 3.531 ( 0.000 0.000 -32.425) 32.425 3.604 ( 0.000 0.000 6.318) 6.318 3.690 ( 0.000 0.000 2.226) 2.226 3.730 ( 0.000 0.000 2.346) 2.346 3.804 ( 0.000 0.000 -3.618) 3.618 4.028 ( 0.000 0.000 3.441) 3.441 4.064 ( 0.000 0.000 1.709) 1.709 4.284 ( 0.000 0.000 19.465) 19.465 4.381 ( 0.000 0.000 -2.692) 2.692 4.382 ( 0.000 0.000 -2.171) 2.171 4.628 ( 0.000 0.000 3.507) 3.507 4.665 ( 0.000 0.000 8.898) 8.898 4.719 ( 0.000 0.000 1.386) 1.386 4.728 ( 0.000 0.000 0.509) 0.509 4.734 ( 0.000 0.000 -10.363) 10.363 4.946 ( 0.000 0.000 -4.697) 4.697 5.138 ( 0.000 0.000 -15.334) 15.334 5.411 ( 0.000 0.000 6.114) 6.114 5.485 ( 0.000 0.000 0.030) 0.030 5.493 ( 0.000 0.000 -1.049) 1.049 5.631 ( 0.000 0.000 -15.813) 15.813 5.783 ( 0.000 0.000 2.089) 2.089 5.849 ( 0.000 0.000 -4.063) 4.063 6.163 ( 0.000 0.000 10.239) 10.239 6.195 ( 0.000 0.000 2.264) 2.264 6.246 ( 0.000 0.000 7.069) 7.069 6.263 ( 0.000 0.000 2.713) 2.713 6.373 ( 0.000 0.000 -4.769) 4.769 6.432 ( 0.000 0.000 -7.946) 7.946 6.785 ( 0.000 0.000 8.652) 8.652 6.790 ( 0.000 0.000 5.524) 5.524 6.898 ( 0.000 0.000 -5.394) 5.394 6.938 ( 0.000 0.000 -1.580) 1.580 7.346 ( 0.000 0.000 1.065) 1.065 7.358 ( 0.000 0.000 8.161) 8.161 7.396 ( 0.000 0.000 -2.339) 2.339 7.488 ( 0.000 0.000 -3.966) 3.966 7.543 ( 0.000 0.000 6.076) 6.076 7.642 ( 0.000 0.000 3.549) 3.549 7.703 ( 0.000 0.000 -0.998) 0.998 7.718 ( 0.000 0.000 -10.971) 10.971 8.113 ( 0.000 0.000 -1.234) 1.234 8.190 ( 0.000 0.000 -7.543) 7.543 8.353 ( 0.000 0.000 4.144) 4.144 8.429 ( 0.000 0.000 -2.302) 2.302 8.892 ( 0.000 0.000 4.341) 4.341 8.914 ( 0.000 0.000 8.482) 8.482 9.037 ( 0.000 0.000 -8.097) 8.097 9.101 ( 0.000 0.000 -8.725) 8.725 9.275 ( 0.000 0.000 7.158) 7.158 9.414 ( 0.000 0.000 2.114) 2.114 9.432 ( 0.000 0.000 -10.463) 10.463 9.454 ( 0.000 0.000 -1.345) 1.345 9.774 ( 0.000 0.000 1.550) 1.550 9.786 ( 0.000 0.000 0.074) 0.074 10.484 ( 0.000 0.000 2.319) 2.319 10.533 ( 0.000 0.000 -2.234) 2.234 10.806 ( 0.000 0.000 1.870) 1.870 10.850 ( 0.000 0.000 -2.544) 2.544 11.229 ( 0.000 0.000 3.591) 3.591 11.301 ( 0.000 0.000 -3.306) 3.306 11.789 ( 0.000 0.000 4.830) 4.830 11.885 ( 0.000 0.000 -4.368) 4.368 12.074 ( 0.000 0.000 12.268) 12.268 12.273 ( 0.000 0.000 -7.617) 7.617 12.944 ( 0.000 0.000 23.284) 23.284 13.054 ( 0.000 0.000 11.070) 11.070 13.265 ( 0.000 0.000 -9.000) 9.000 13.508 ( 0.000 0.000 -31.339) 31.339 13.785 ( 0.000 0.000 12.419) 12.419 14.085 ( 0.000 0.000 -15.835) 15.835 14.631 ( 0.000 0.000 11.367) 11.367 14.863 ( 0.000 0.000 -10.777) 10.777 15.454 ( 0.000 0.000 7.469) 7.469 15.474 ( 0.000 0.000 3.692) 3.692 15.551 ( 0.000 0.000 -3.577) 3.577 15.677 ( 0.000 0.000 -13.945) 13.945 16.350 ( 0.000 0.000 22.702) 22.702 16.754 ( 0.000 0.000 -16.798) 16.798 16.856 ( 0.000 0.000 6.448) 6.448 16.968 ( 0.000 0.000 -3.945) 3.945 17.276 ( 0.000 0.000 3.957) 3.957 17.303 ( 0.000 0.000 1.369) 1.369 24.686 ( 0.000 0.000 0.788) 0.788 24.703 ( 0.000 0.000 -0.842) 0.842 25.175 ( 0.000 0.000 0.049) 0.049 25.175 ( 0.000 0.000 -0.021) 0.021 25.540 ( 0.000 0.000 1.438) 1.438 25.550 ( 0.000 0.000 0.323) 0.323 25.883 ( 0.000 0.000 3.879) 3.879 25.938 ( 0.000 0.000 -1.414) 1.414 26.161 ( 0.000 0.000 5.973) 5.973 26.302 ( 0.000 0.000 -7.447) 7.447 26.412 ( 0.000 0.000 3.920) 3.920 26.504 ( 0.000 0.000 -4.758) 4.758 26.928 ( 0.000 0.000 8.368) 8.368 27.111 ( 0.000 0.000 -8.955) 8.955 27.408 ( 0.000 0.000 0.638) 0.638 27.418 ( 0.000 0.000 -0.355) 0.355 29.237 ( 0.000 0.000 14.575) 14.575 29.526 ( 0.000 0.000 -12.546) 12.546 30.617 ( 0.000 0.000 1.221) 1.221 30.679 ( 0.000 0.000 -4.208) 4.208 ======================= Grid point 111 (38/54) ======================= q-point: ( 0.20 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 14.385 0.000 29.801) 33.091 1.789 ( 18.189 0.000 29.169) 34.376 2.401 ( 7.724 0.000 -25.068) 26.231 2.410 ( 6.502 0.000 -27.920) 28.667 3.030 ( 32.619 0.000 39.166) 50.971 3.425 ( -17.115 0.000 3.854) 17.544 3.515 ( -20.220 0.000 0.212) 20.221 3.575 ( -10.683 0.000 4.146) 11.460 3.712 ( 14.122 0.000 -15.760) 21.161 3.720 ( -5.961 0.000 -5.773) 8.298 3.877 ( -10.969 0.000 6.833) 12.923 3.952 ( -9.353 0.000 -2.117) 9.589 4.129 ( 2.786 0.000 -1.101) 2.995 4.150 ( -5.625 0.000 -3.568) 6.662 4.431 ( -8.348 0.000 -0.314) 8.354 4.485 ( -10.172 0.000 -3.748) 10.840 4.724 ( 2.153 0.000 14.068) 14.232 4.791 ( 7.346 0.000 7.145) 10.247 4.882 ( 14.765 0.000 8.030) 16.808 4.996 ( 5.861 0.000 -4.987) 7.696 5.062 ( 9.260 0.000 -7.170) 11.712 5.134 ( 0.038 0.000 -11.393) 11.393 5.405 ( -1.431 0.000 0.244) 1.452 5.464 ( -2.325 0.000 -5.586) 6.051 5.534 ( 5.545 0.000 1.441) 5.729 5.666 ( 3.267 0.000 -12.783) 13.194 5.812 ( 3.547 0.000 2.231) 4.191 5.862 ( 1.729 0.000 -2.887) 3.365 6.008 ( -9.074 0.000 7.066) 11.501 6.091 ( -8.230 0.000 -1.124) 8.306 6.220 ( -0.484 0.000 4.409) 4.436 6.279 ( -0.784 0.000 -2.339) 2.467 6.320 ( -4.518 0.000 12.114) 12.929 6.534 ( -11.301 0.000 -3.712) 11.895 6.666 ( 7.633 0.000 -3.594) 8.437 6.686 ( -2.745 0.000 -1.355) 3.061 7.033 ( 3.829 0.000 6.719) 7.734 7.098 ( 0.912 0.000 0.205) 0.935 7.249 ( -2.775 0.000 1.927) 3.379 7.296 ( 0.764 0.000 -1.400) 1.594 7.430 ( 1.003 0.000 0.988) 1.408 7.444 ( -5.508 0.000 -2.275) 5.959 7.606 ( 0.926 0.000 6.670) 6.734 7.708 ( 6.261 0.000 5.069) 8.056 7.756 ( 2.546 0.000 -4.850) 5.478 7.812 ( 5.899 0.000 -7.535) 9.570 8.006 ( -4.965 0.000 4.135) 6.461 8.148 ( 0.518 0.000 -7.953) 7.970 8.269 ( -6.369 0.000 3.285) 7.166 8.322 ( -6.441 0.000 -1.282) 6.567 8.791 ( -5.523 0.000 3.306) 6.437 8.851 ( -1.512 0.000 -2.007) 2.513 9.035 ( -8.689 0.000 8.935) 12.463 9.208 ( 5.755 0.000 -4.864) 7.535 9.256 ( -0.636 0.000 -0.360) 0.731 9.306 ( -4.403 0.000 -8.208) 9.315 9.402 ( 1.632 0.000 -3.342) 3.719 9.410 ( 9.416 0.000 -2.183) 9.666 10.088 ( 15.881 0.000 4.953) 16.635 10.150 ( 17.798 0.000 -0.870) 17.819 10.484 ( 4.123 0.000 0.425) 4.145 10.488 ( 5.065 0.000 0.680) 5.111 10.876 ( -7.799 0.000 0.933) 7.855 10.884 ( -6.566 0.000 -0.625) 6.595 11.107 ( -0.504 0.000 -0.362) 0.621 11.132 ( -4.745 0.000 -2.782) 5.501 11.672 ( -19.252 0.000 14.310) 23.988 11.888 ( -5.666 0.000 -7.248) 9.200 12.004 ( 2.729 0.000 16.745) 16.966 12.472 ( 12.775 0.000 -29.378) 32.035 12.952 ( 3.270 0.000 10.697) 11.186 13.181 ( 1.913 0.000 -11.546) 11.703 13.251 ( 11.455 0.000 18.949) 22.142 13.674 ( 7.047 0.000 -22.867) 23.928 13.754 ( -2.292 0.000 12.147) 12.362 14.046 ( -3.179 0.000 -14.985) 15.319 14.659 ( 2.363 0.000 11.088) 11.337 14.895 ( 2.199 0.000 -11.734) 11.938 15.300 ( -8.189 0.000 5.011) 9.600 15.491 ( -8.919 0.000 -12.085) 15.020 15.638 ( 10.108 0.000 3.902) 10.835 15.730 ( 8.139 0.000 -5.709) 9.942 16.412 ( 3.643 0.000 15.209) 15.640 16.666 ( -5.258 0.000 -9.369) 10.743 16.856 ( 0.381 0.000 8.848) 8.856 17.007 ( 1.410 0.000 -4.589) 4.800 17.244 ( -5.458 0.000 4.161) 6.863 17.268 ( -1.027 0.000 0.360) 1.088 24.685 ( -0.104 0.000 0.833) 0.840 24.703 ( -0.030 0.000 -0.876) 0.876 25.231 ( 4.406 0.000 0.290) 4.416 25.235 ( 4.328 0.000 -0.147) 4.330 25.495 ( -2.932 0.000 1.677) 3.378 25.513 ( -2.873 0.000 -0.071) 2.874 26.014 ( 8.251 0.000 5.550) 9.944 26.069 ( 10.254 0.000 -0.021) 10.254 26.126 ( -2.162 0.000 6.641) 6.984 26.255 ( -3.494 0.000 -5.491) 6.508 26.436 ( 1.583 0.000 1.720) 2.337 26.507 ( -0.382 0.000 -5.034) 5.048 26.983 ( 4.729 0.000 6.074) 7.698 27.119 ( 1.216 0.000 -6.474) 6.587 27.375 ( -3.057 0.000 0.809) 3.163 27.391 ( -2.422 0.000 -0.817) 2.556 29.240 ( 0.264 0.000 16.435) 16.437 29.609 ( 6.098 0.000 -19.471) 20.404 30.563 ( -4.101 0.000 1.070) 4.238 30.630 ( -3.800 0.000 -4.763) 6.093 ======================= Grid point 112 (39/54) ======================= q-point: ( 0.40 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 19.580 0.000 12.103) 23.019 2.271 ( 18.395 0.000 8.336) 20.196 2.572 ( 13.628 0.000 -7.730) 15.668 2.633 ( 6.612 0.000 -5.650) 8.697 2.947 ( -17.990 0.000 0.303) 17.992 3.023 ( -15.312 0.000 -1.254) 15.363 3.189 ( -24.056 0.000 1.390) 24.097 3.406 ( -13.171 0.000 -13.066) 18.552 3.678 ( -3.246 0.000 2.154) 3.896 3.723 ( -5.013 0.000 -2.316) 5.522 3.963 ( 2.451 0.000 2.638) 3.601 3.968 ( 24.629 0.000 10.591) 26.810 4.096 ( 7.145 0.000 12.244) 14.176 4.297 ( 4.111 0.000 2.749) 4.945 4.386 ( 0.515 0.000 3.348) 3.387 4.534 ( 20.988 0.000 -12.204) 24.279 4.707 ( -6.834 0.000 12.833) 14.539 4.874 ( 0.610 0.000 2.619) 2.689 4.959 ( -5.643 0.000 -2.065) 6.009 5.029 ( -4.410 0.000 -6.211) 7.617 5.184 ( 4.194 0.000 1.924) 4.614 5.246 ( 6.998 0.000 -3.021) 7.622 5.379 ( -1.008 0.000 2.269) 2.483 5.438 ( 1.704 0.000 -5.902) 6.143 5.550 ( -7.649 0.000 3.127) 8.264 5.688 ( -6.381 0.000 -12.529) 14.060 5.852 ( -0.820 0.000 3.209) 3.312 5.894 ( 0.710 0.000 1.834) 1.966 5.903 ( 1.799 0.000 -2.621) 3.179 5.957 ( -0.472 0.000 -4.108) 4.135 6.133 ( -4.344 0.000 10.043) 10.942 6.255 ( -3.714 0.000 -1.457) 3.989 6.256 ( 0.739 0.000 3.523) 3.599 6.310 ( -5.002 0.000 -1.708) 5.285 6.652 ( -1.198 0.000 3.065) 3.291 6.758 ( 1.793 0.000 -7.055) 7.280 6.890 ( -9.450 0.000 1.773) 9.615 6.965 ( -6.318 0.000 -5.799) 8.576 7.336 ( 9.684 0.000 5.425) 11.100 7.381 ( 2.526 0.000 2.454) 3.522 7.506 ( 5.851 0.000 0.279) 5.858 7.522 ( 9.591 0.000 -2.913) 10.024 7.576 ( -5.153 0.000 9.322) 10.652 7.686 ( -5.933 0.000 3.006) 6.651 7.709 ( -5.541 0.000 -2.129) 5.936 7.813 ( -3.875 0.000 -9.720) 10.464 8.069 ( 6.174 0.000 15.371) 16.565 8.156 ( -2.765 0.000 4.176) 5.008 8.239 ( -0.706 0.000 -2.713) 2.803 8.352 ( 12.120 0.000 -11.828) 16.935 8.672 ( -4.732 0.000 3.386) 5.819 8.772 ( -6.363 0.000 -7.251) 9.647 8.910 ( -2.379 0.000 9.901) 10.183 9.196 ( -1.119 0.000 -14.471) 14.514 9.228 ( -0.819 0.000 0.625) 1.030 9.235 ( -2.154 0.000 -4.155) 4.680 9.657 ( 13.611 0.000 0.773) 13.633 9.694 ( 11.900 0.000 -3.215) 12.327 10.282 ( -1.435 0.000 2.070) 2.519 10.286 ( -4.095 0.000 1.560) 4.382 10.533 ( 2.884 0.000 5.794) 6.472 10.617 ( 5.060 0.000 -2.092) 5.475 10.838 ( 8.367 0.000 2.497) 8.732 10.887 ( 1.501 0.000 0.029) 1.502 10.980 ( -2.413 0.000 -1.299) 2.741 11.002 ( -14.444 0.000 1.610) 14.533 11.281 ( -9.099 0.000 23.441) 25.145 11.743 ( -5.949 0.000 -16.118) 17.180 12.071 ( 2.110 0.000 15.360) 15.504 12.580 ( 0.251 0.000 -34.845) 34.846 13.028 ( 2.039 0.000 20.916) 21.015 13.433 ( 15.812 0.000 -17.031) 23.240 13.461 ( 6.969 0.000 6.419) 9.475 13.692 ( -5.996 0.000 -20.346) 21.211 13.702 ( -2.370 0.000 14.800) 14.989 13.973 ( -2.512 0.000 -9.654) 9.975 14.721 ( 2.573 0.000 10.221) 10.539 14.944 ( 2.041 0.000 -11.406) 11.587 15.151 ( -4.568 0.000 -1.091) 4.697 15.271 ( -7.826 0.000 -11.650) 14.035 15.845 ( 6.504 0.000 3.084) 7.198 15.922 ( 6.383 0.000 -4.548) 7.837 16.452 ( 0.131 0.000 7.261) 7.262 16.578 ( -2.431 0.000 -5.130) 5.677 16.902 ( 4.054 0.000 13.887) 14.467 17.018 ( 0.134 0.000 3.362) 3.364 17.087 ( -7.560 0.000 6.699) 10.101 17.230 ( -1.789 0.000 -8.532) 8.717 24.683 ( -0.044 0.000 0.914) 0.915 24.702 ( 0.004 0.000 -0.945) 0.945 25.328 ( 3.730 0.000 0.826) 3.820 25.336 ( 4.769 0.000 0.030) 4.769 25.430 ( -2.897 0.000 0.732) 2.988 25.438 ( -3.873 0.000 -0.020) 3.874 26.052 ( -1.486 0.000 9.825) 9.937 26.180 ( -1.797 0.000 -3.493) 3.928 26.183 ( 3.744 0.000 8.460) 9.252 26.307 ( 9.060 0.000 0.990) 9.114 26.455 ( 0.146 0.000 -0.600) 0.617 26.463 ( -3.974 0.000 -5.220) 6.560 27.115 ( 6.635 0.000 2.662) 7.149 27.175 ( 3.348 0.000 -2.916) 4.439 27.275 ( -5.724 0.000 1.550) 5.930 27.320 ( -3.518 0.000 -2.732) 4.454 29.247 ( 0.245 0.000 19.501) 19.503 29.723 ( 3.188 0.000 -26.607) 26.797 30.484 ( -2.327 0.000 0.898) 2.494 30.555 ( -2.167 0.000 -5.444) 5.859 ======================= Grid point 115 (40/54) ======================= q-point: ( 0.00 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 9.189 31.797) 33.098 1.833 ( 0.000 20.582 31.305) 37.465 2.312 ( 0.000 0.801 -29.216) 29.227 2.448 ( 0.000 13.550 -28.491) 31.549 2.878 ( 0.000 19.868 43.747) 48.047 3.550 ( 0.000 -5.103 8.606) 10.005 3.589 ( 0.000 1.930 -19.945) 20.038 3.682 ( 0.000 -3.563 -3.838) 5.237 3.718 ( 0.000 -0.803 3.377) 3.471 3.818 ( 0.000 2.357 -8.286) 8.614 3.956 ( 0.000 0.276 13.255) 13.258 4.129 ( 0.000 -0.387 -2.533) 2.563 4.281 ( 0.000 -7.251 0.935) 7.311 4.288 ( 0.000 0.585 14.553) 14.565 4.358 ( 0.000 -2.321 -6.497) 6.900 4.529 ( 0.000 -9.352 3.734) 10.070 4.629 ( 0.000 -0.612 -0.146) 0.629 4.728 ( 0.000 1.258 2.646) 2.929 4.768 ( 0.000 3.675 -0.879) 3.779 4.769 ( 0.000 0.352 -10.296) 10.302 4.925 ( 0.000 1.785 5.833) 6.100 5.227 ( 0.000 6.690 -15.505) 16.886 5.400 ( 0.000 -6.389 1.045) 6.474 5.437 ( 0.000 -5.968 -2.405) 6.435 5.441 ( 0.000 2.479 6.500) 6.957 5.658 ( 0.000 2.222 -14.704) 14.871 5.726 ( 0.000 -5.800 5.741) 8.160 5.855 ( 0.000 -1.730 -6.479) 6.706 5.983 ( 0.000 -6.656 6.724) 9.462 6.123 ( 0.000 -4.728 -5.424) 7.195 6.235 ( 0.000 -0.637 7.383) 7.410 6.375 ( 0.000 3.278 8.108) 8.745 6.382 ( 0.000 0.855 -5.896) 5.957 6.522 ( 0.000 1.478 -3.959) 4.225 6.749 ( 0.000 -4.594 6.497) 7.957 6.773 ( 0.000 -1.325 4.893) 5.070 6.865 ( 0.000 -2.377 -4.488) 5.078 6.914 ( 0.000 -3.415 -7.053) 7.836 7.220 ( 0.000 -4.433 7.774) 8.949 7.362 ( 0.000 0.310 7.773) 7.780 7.376 ( 0.000 0.130 -6.204) 6.205 7.467 ( 0.000 -0.629 0.534) 0.825 7.592 ( 0.000 1.893 1.137) 2.208 7.616 ( 0.000 -3.267 4.480) 5.545 7.674 ( 0.000 -3.751 -1.072) 3.901 7.732 ( 0.000 1.474 -9.888) 9.998 8.089 ( 0.000 -1.719 0.921) 1.950 8.205 ( 0.000 1.444 -8.936) 9.052 8.312 ( 0.000 -3.766 4.776) 6.082 8.402 ( 0.000 -2.581 -3.233) 4.137 8.808 ( 0.000 -8.832 4.769) 10.038 8.904 ( 0.000 -0.988 8.985) 9.039 8.911 ( 0.000 -8.591 -3.722) 9.363 9.097 ( 0.000 -0.936 -9.069) 9.118 9.187 ( 0.000 -2.698 7.305) 7.788 9.408 ( 0.000 -0.077 -14.448) 14.448 9.440 ( 0.000 2.681 1.941) 3.310 9.472 ( 0.000 1.940 -0.912) 2.144 9.940 ( 0.000 12.610 2.994) 12.961 10.023 ( 0.000 13.319 -4.806) 14.160 10.486 ( 0.000 0.251 2.210) 2.225 10.537 ( 0.000 0.234 -2.488) 2.499 10.753 ( 0.000 -2.232 11.598) 11.811 10.941 ( 0.000 1.986 -5.863) 6.190 11.151 ( 0.000 -1.195 6.027) 6.144 11.294 ( 0.000 -1.691 -7.791) 7.972 11.778 ( 0.000 -1.071 5.345) 5.451 11.883 ( 0.000 -0.617 -4.724) 4.765 12.214 ( 0.000 12.632 15.521) 20.012 12.463 ( 0.000 13.125 -7.966) 15.353 12.713 ( 0.000 -19.525 22.167) 29.540 13.017 ( 0.000 -3.624 9.582) 10.244 13.199 ( 0.000 -6.037 -7.564) 9.678 13.249 ( 0.000 -22.330 -29.461) 36.967 13.715 ( 0.000 -6.724 12.927) 14.571 14.026 ( 0.000 -4.304 -16.210) 16.771 14.503 ( 0.000 -10.053 10.949) 14.864 14.735 ( 0.000 -9.271 -11.292) 14.610 15.276 ( 0.000 -10.942 6.724) 12.843 15.512 ( 0.000 -12.802 -15.250) 19.912 15.674 ( 0.000 16.772 8.247) 18.690 15.827 ( 0.000 19.258 -6.316) 20.267 16.392 ( 0.000 4.442 20.999) 21.464 16.784 ( 0.000 2.852 -16.750) 16.991 16.845 ( 0.000 0.616 9.024) 9.045 16.994 ( 0.000 2.976 -4.870) 5.707 17.365 ( 0.000 6.822 6.278) 9.271 17.472 ( 0.000 9.683 -4.774) 10.796 24.792 ( 0.000 9.117 -0.161) 9.119 24.801 ( 0.000 8.856 -0.807) 8.893 25.178 ( 0.000 0.748 0.732) 1.047 25.193 ( 0.000 1.327 -0.678) 1.490 25.491 ( 0.000 -2.811 2.755) 3.936 25.537 ( 0.000 -1.925 -1.739) 2.594 25.877 ( 0.000 -0.547 3.719) 3.759 25.930 ( 0.000 -0.724 -1.375) 1.554 26.260 ( 0.000 7.758 6.189) 9.924 26.390 ( 0.000 6.730 -6.152) 9.118 26.410 ( 0.000 -0.159 3.855) 3.858 26.501 ( 0.000 -0.315 -4.646) 4.657 26.904 ( 0.000 -2.281 8.240) 8.550 27.085 ( 0.000 -2.526 -8.856) 9.209 27.313 ( 0.000 -7.843 5.263) 9.445 27.379 ( 0.000 -4.021 -1.826) 4.416 29.247 ( 0.000 1.663 15.585) 15.674 29.553 ( 0.000 2.131 -12.729) 12.906 30.466 ( 0.000 -11.395 4.961) 12.428 30.630 ( 0.000 -5.550 -10.117) 11.539 ======================= Grid point 116 (41/54) ======================= q-point: ( 0.20 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 14.135 6.457 26.558) 30.770 1.965 ( 11.367 14.025 24.839) 30.707 2.397 ( 7.720 2.365 -23.360) 24.716 2.543 ( 5.905 11.006 -25.085) 28.023 3.214 ( 23.383 13.284 29.582) 39.979 3.444 ( -15.535 -0.356 4.339) 16.133 3.492 ( -16.089 -0.336 -0.144) 16.093 3.590 ( -3.530 -1.764 3.587) 5.333 3.718 ( -2.978 2.054 -4.032) 5.417 3.746 ( 3.158 -1.853 -4.050) 5.460 3.866 ( -5.692 -1.907 4.166) 7.307 3.941 ( -8.156 -0.436 -5.311) 9.743 3.997 ( -8.311 1.634 5.708) 10.214 4.215 ( -7.885 -3.707 -11.070) 14.088 4.379 ( -5.247 -2.238 3.940) 6.933 4.497 ( -2.172 0.494 -5.057) 5.526 4.713 ( 2.260 -0.853 6.632) 7.058 4.791 ( 5.342 -4.494 1.747) 7.196 4.830 ( 9.794 1.158 9.375) 13.607 4.964 ( 7.398 -1.980 0.731) 7.693 5.018 ( 10.346 0.765 -3.470) 10.939 5.248 ( 0.991 5.276 -10.978) 12.221 5.380 ( -2.436 -3.055 2.623) 4.706 5.465 ( 2.470 -1.978 -4.064) 5.151 5.504 ( 3.992 -0.998 2.694) 4.919 5.660 ( 2.868 -0.964 -11.430) 11.824 5.766 ( 2.115 -4.149 1.778) 4.985 5.833 ( -0.587 -3.068 -3.314) 4.554 5.953 ( -1.910 -3.101 3.737) 5.218 6.038 ( -5.206 -3.331 -2.685) 6.739 6.226 ( -3.195 -1.417 5.018) 6.116 6.289 ( -3.115 1.902 -0.774) 3.731 6.349 ( -4.782 1.478 8.626) 9.973 6.500 ( -10.064 -2.281 -2.839) 10.703 6.668 ( -0.153 0.247 1.939) 1.961 6.747 ( 2.896 3.591 -5.440) 7.133 6.961 ( 2.025 -6.320 2.944) 7.260 7.042 ( 0.647 -6.865 -4.303) 8.128 7.286 ( 2.654 3.634 4.482) 6.352 7.316 ( 2.345 0.529 1.265) 2.717 7.369 ( -3.473 -2.031 3.923) 5.620 7.477 ( -0.753 2.255 -4.866) 5.416 7.575 ( 0.786 -2.369 7.382) 7.793 7.643 ( 3.345 -4.069 3.819) 6.506 7.717 ( 2.664 -5.087 -2.301) 6.187 7.784 ( 2.074 -1.587 -9.784) 10.126 8.010 ( -1.992 -0.248 3.753) 4.256 8.145 ( 0.706 -1.416 -7.445) 7.611 8.228 ( -6.671 -1.814 3.059) 7.559 8.299 ( -5.706 -1.433 -2.869) 6.545 8.803 ( -2.456 -1.105 1.539) 3.102 8.835 ( 1.066 -0.934 -0.951) 1.707 8.988 ( -5.865 -2.395 9.984) 11.824 9.159 ( 8.957 -4.308 2.295) 10.201 9.254 ( 3.882 1.033 -7.263) 8.300 9.297 ( -0.471 1.424 -10.186) 10.295 9.478 ( -0.550 6.917 1.564) 7.113 9.552 ( 2.875 7.868 -4.232) 9.386 10.072 ( 9.177 -1.080 4.202) 10.150 10.155 ( 10.223 -0.933 -3.048) 10.708 10.502 ( 7.089 2.179 3.898) 8.379 10.545 ( 6.253 3.442 0.511) 7.156 10.847 ( -9.663 -1.723 1.922) 10.002 10.887 ( -7.324 -2.084 -2.920) 8.155 11.087 ( 0.960 1.090 2.711) 3.075 11.178 ( -1.938 3.074 -5.199) 6.344 11.706 ( -14.512 2.062 12.354) 19.169 11.894 ( -5.537 0.283 -5.974) 8.150 12.076 ( -3.111 6.435 19.251) 20.535 12.546 ( 7.846 4.684 -23.038) 24.784 12.807 ( 5.247 -14.454 9.422) 18.034 13.050 ( 0.483 -12.772 -10.316) 16.425 13.110 ( 6.874 -9.901 12.913) 17.664 13.412 ( 5.325 -20.841 -14.488) 25.935 13.674 ( -3.063 -7.412 9.071) 12.108 13.957 ( -5.675 -5.224 -15.803) 17.585 14.582 ( 5.212 -5.804 10.579) 13.144 14.812 ( 5.244 -5.767 -11.398) 13.808 15.192 ( -6.202 -8.186 4.889) 11.374 15.404 ( -8.078 -9.016 -14.519) 18.904 15.778 ( 7.569 12.935 8.320) 17.142 15.943 ( 8.894 15.786 -7.451) 19.592 16.452 ( 4.180 4.416 16.245) 17.345 16.715 ( -3.805 4.395 -8.667) 10.436 16.846 ( -0.487 0.366 9.688) 9.708 17.029 ( 2.490 3.211 -5.031) 6.467 17.325 ( -4.063 6.335 5.086) 9.083 17.424 ( -4.150 9.628 -5.224) 11.714 24.783 ( -0.620 8.648 0.341) 8.677 24.797 ( -0.195 8.481 -0.859) 8.527 25.231 ( 4.032 0.484 1.017) 4.187 25.250 ( 4.306 1.187 -0.795) 4.537 25.466 ( -2.021 -2.000 2.324) 3.672 25.502 ( -2.596 -1.262 -1.099) 3.088 25.980 ( 6.360 -2.351 4.629) 8.210 26.021 ( 6.742 -2.220 0.188) 7.101 26.231 ( -0.937 6.361 5.936) 8.751 26.320 ( -3.411 4.249 -2.461) 5.979 26.453 ( 1.463 1.872 0.577) 2.445 26.509 ( 0.037 0.162 -4.637) 4.640 26.962 ( 4.805 -2.091 6.024) 7.984 27.092 ( 1.144 -2.606 -5.755) 6.420 27.307 ( -1.137 -5.913 2.505) 6.522 27.354 ( -2.256 -3.787 -1.954) 4.821 29.261 ( 1.042 2.471 16.189) 16.410 29.612 ( 4.800 0.605 -16.953) 17.630 30.419 ( -3.714 -11.257 4.571) 12.704 30.576 ( -4.225 -5.793 -9.639) 12.013 ======================= Grid point 117 (42/54) ======================= q-point: ( 0.40 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 17.671 4.044 10.901) 21.153 2.291 ( 14.813 1.994 5.180) 15.819 2.649 ( 15.352 7.274 -1.653) 17.069 2.676 ( 2.007 3.385 -3.114) 5.018 2.991 ( -11.209 3.068 -4.502) 12.463 3.042 ( -14.358 1.855 -3.670) 14.936 3.218 ( -24.289 2.498 4.001) 24.742 3.440 ( -18.097 1.678 -11.374) 21.440 3.660 ( -1.522 -1.605 0.997) 2.427 3.700 ( -3.823 -1.920 -2.423) 4.916 3.913 ( 1.332 -8.705 2.521) 9.160 3.952 ( 9.784 -1.465 2.192) 10.133 4.066 ( 8.663 2.592 4.192) 9.967 4.192 ( 4.104 -8.783 -4.667) 10.760 4.376 ( 9.878 4.130 15.947) 19.208 4.608 ( 7.769 5.079 1.412) 9.389 4.735 ( 1.622 -0.241 0.407) 1.690 4.816 ( -1.445 -3.498 -2.925) 4.783 4.956 ( -0.365 3.654 10.227) 10.867 5.152 ( 7.050 3.961 0.838) 8.130 5.198 ( 2.736 -0.513 1.237) 3.046 5.249 ( 2.682 3.877 -3.347) 5.782 5.352 ( 0.505 -2.803 1.045) 3.034 5.448 ( 0.043 -0.376 -7.497) 7.506 5.526 ( -7.913 -1.694 4.356) 9.190 5.663 ( -6.012 -2.102 -8.711) 10.791 5.846 ( 3.432 -1.620 2.000) 4.290 5.869 ( 5.136 -1.137 -1.376) 5.437 5.943 ( 1.488 -0.479 -0.762) 1.739 5.970 ( -0.944 -0.067 -2.328) 2.514 6.083 ( -5.886 -3.708 8.641) 11.094 6.204 ( -2.998 -0.921 1.473) 3.465 6.261 ( -3.102 -0.722 -1.231) 3.415 6.310 ( -5.463 1.122 -2.501) 6.112 6.641 ( -0.906 -0.127 5.654) 5.728 6.784 ( -4.592 -0.897 -2.698) 5.401 6.824 ( -5.278 -1.051 -3.558) 6.451 6.919 ( -5.969 -3.848 -7.001) 9.973 7.278 ( 3.040 -5.305 3.577) 7.083 7.336 ( 1.852 -5.869 -1.329) 6.296 7.496 ( -0.925 -2.547 5.070) 5.749 7.510 ( 1.606 -0.011 3.269) 3.643 7.593 ( -3.497 -3.492 1.305) 5.111 7.635 ( 9.203 5.609 -2.453) 11.053 7.785 ( 2.277 1.612 2.792) 3.948 7.899 ( 4.619 1.656 -3.923) 6.282 8.057 ( -1.041 -2.886 6.850) 7.505 8.086 ( -0.473 1.425 3.919) 4.197 8.164 ( -5.049 -3.928 -2.737) 6.958 8.332 ( 10.648 -1.879 -11.078) 15.481 8.696 ( -6.158 2.224 5.331) 8.443 8.817 ( -3.499 3.176 -5.607) 7.333 8.889 ( -2.242 -1.779 8.844) 9.296 9.177 ( -0.340 -1.352 -16.962) 17.020 9.279 ( -1.817 4.575 0.333) 4.934 9.308 ( -1.104 5.837 -2.361) 6.393 9.663 ( 14.128 1.498 3.350) 14.597 9.744 ( 11.835 3.314 -4.369) 13.043 10.190 ( -3.106 -6.557 3.806) 8.193 10.251 ( -2.771 -4.722 -1.719) 5.739 10.546 ( -0.734 0.240 6.474) 6.520 10.640 ( 1.076 0.605 -2.335) 2.641 10.816 ( 6.257 -1.235 4.426) 7.763 10.871 ( 4.841 -0.580 2.657) 5.552 10.997 ( -3.150 0.923 0.679) 3.352 11.079 ( -9.955 4.953 -1.825) 11.268 11.370 ( -8.704 7.852 17.323) 20.916 11.722 ( -6.871 -1.773 -12.651) 14.505 12.074 ( 0.611 0.437 16.409) 16.426 12.602 ( -0.568 1.846 -34.189) 34.244 12.905 ( 2.521 -15.356 19.274) 24.772 13.232 ( 9.913 -18.311 -1.648) 20.887 13.341 ( 12.610 -14.134 -3.625) 19.285 13.441 ( -1.614 -15.241 -0.300) 15.329 13.594 ( -5.220 -13.499 -2.365) 14.665 13.811 ( -6.148 -3.870 -15.424) 17.050 14.671 ( 2.440 -3.206 11.000) 11.714 14.907 ( 3.119 -2.592 -11.638) 12.325 15.068 ( -4.151 -6.684 0.896) 7.919 15.227 ( -6.036 -5.251 -13.698) 15.863 15.939 ( 5.319 10.044 9.777) 14.992 16.126 ( 5.944 12.259 -8.428) 16.020 16.503 ( 0.097 4.591 8.782) 9.910 16.646 ( -2.403 5.636 -5.654) 8.337 16.881 ( 4.114 -0.519 18.385) 18.847 17.087 ( 1.920 6.451 3.665) 7.664 17.197 ( -5.551 8.922 1.871) 10.673 17.316 ( -4.547 6.292 -11.717) 14.056 24.774 ( -0.208 8.090 0.866) 8.139 24.794 ( -0.034 8.300 -1.093) 8.371 25.322 ( 3.790 0.005 1.699) 4.154 25.349 ( 4.341 0.817 -0.777) 4.485 25.411 ( -2.782 -1.224 1.373) 3.335 25.436 ( -3.389 -0.346 -0.871) 3.516 26.039 ( -0.168 -1.544 9.104) 9.236 26.110 ( 0.453 -1.870 1.863) 2.679 26.284 ( 3.529 3.683 2.807) 5.822 26.328 ( 4.919 2.332 1.978) 5.792 26.452 ( -1.161 -0.096 -1.003) 1.537 26.476 ( -3.201 1.011 -4.868) 5.914 27.089 ( 5.943 -2.605 2.624) 6.999 27.142 ( 2.905 -3.287 -1.897) 4.779 27.242 ( -4.749 -3.331 1.089) 5.902 27.294 ( -2.465 -2.502 -3.535) 4.983 29.281 ( 0.575 3.639 18.045) 18.417 29.714 ( 3.244 -0.183 -23.570) 23.793 30.340 ( -2.548 -11.785 4.972) 13.042 30.492 ( -2.454 -6.477 -9.089) 11.427 ======================= Grid point 120 (43/54) ======================= q-point: ( 0.00 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.000 19.635 18.041) 26.665 2.361 ( 0.000 27.931 21.942) 35.519 2.403 ( 0.000 8.101 -22.093) 23.532 2.794 ( 0.000 16.894 -18.993) 25.419 3.260 ( 0.000 11.213 21.925) 24.626 3.385 ( 0.000 -8.600 12.022) 14.781 3.526 ( 0.000 -7.592 -5.860) 9.591 3.579 ( 0.000 -5.288 -6.638) 8.487 3.704 ( 0.000 -0.841 5.287) 5.353 3.800 ( 0.000 -6.193 -2.071) 6.530 3.887 ( 0.000 -13.656 9.745) 16.776 4.052 ( 0.000 -3.652 -3.577) 5.112 4.180 ( 0.000 0.309 6.560) 6.568 4.322 ( 0.000 0.157 4.184) 4.187 4.354 ( 0.000 -1.428 4.400) 4.626 4.395 ( 0.000 6.823 -12.891) 14.586 4.650 ( 0.000 2.599 -0.151) 2.604 4.766 ( 0.000 1.544 3.340) 3.680 4.780 ( 0.000 1.796 -10.069) 10.227 4.855 ( 0.000 2.638 -4.397) 5.128 5.035 ( 0.000 6.921 14.491) 16.059 5.247 ( 0.000 -5.419 6.699) 8.616 5.329 ( 0.000 -2.591 -1.390) 2.940 5.358 ( 0.000 4.178 -8.529) 9.497 5.505 ( 0.000 4.268 0.490) 4.296 5.542 ( 0.000 -10.303 8.610) 13.428 5.698 ( 0.000 0.727 -13.558) 13.577 5.774 ( 0.000 -5.976 -12.427) 13.790 5.900 ( 0.000 -2.449 5.226) 5.772 6.042 ( 0.000 -4.374 -7.074) 8.316 6.234 ( 0.000 0.709 7.369) 7.403 6.320 ( 0.000 -6.555 7.274) 9.792 6.404 ( 0.000 0.914 -7.978) 8.030 6.478 ( 0.000 -3.334 -5.273) 6.238 6.628 ( 0.000 -4.237 8.170) 9.204 6.764 ( 0.000 1.546 4.694) 4.942 6.781 ( 0.000 -6.756 -6.624) 9.461 6.845 ( 0.000 1.345 -3.110) 3.388 7.262 ( 0.000 2.549 5.787) 6.323 7.368 ( 0.000 -0.124 7.172) 7.173 7.395 ( 0.000 -4.041 -3.712) 5.487 7.450 ( 0.000 -1.629 3.081) 3.485 7.499 ( 0.000 -4.615 1.903) 4.992 7.577 ( 0.000 -2.855 -4.255) 5.123 7.589 ( 0.000 -1.500 1.335) 2.008 7.763 ( 0.000 0.656 -11.222) 11.241 8.068 ( 0.000 -0.096 4.651) 4.652 8.212 ( 0.000 -5.440 6.076) 8.156 8.223 ( 0.000 -0.301 -7.778) 7.784 8.329 ( 0.000 -4.073 -5.014) 6.460 8.618 ( 0.000 -6.056 6.712) 9.040 8.775 ( 0.000 -4.644 -8.043) 9.288 8.867 ( 0.000 -2.714 8.511) 8.933 9.041 ( 0.000 -4.516 -8.086) 9.262 9.206 ( 0.000 3.920 7.295) 8.282 9.434 ( 0.000 1.953 -14.582) 14.712 9.525 ( 0.000 4.591 1.228) 4.753 9.541 ( 0.000 5.009 -0.125) 5.010 10.160 ( 0.000 7.422 1.172) 7.514 10.221 ( 0.000 5.884 -4.493) 7.404 10.497 ( 0.000 0.715 1.428) 1.598 10.538 ( 0.000 -0.196 -2.503) 2.511 10.670 ( 0.000 -6.254 15.695) 16.895 10.886 ( 0.000 -5.613 -4.192) 7.006 11.214 ( 0.000 3.731 2.217) 4.340 11.291 ( 0.000 2.728 -6.136) 6.715 11.727 ( 0.000 -5.486 7.282) 9.117 11.827 ( 0.000 -5.124 -2.362) 5.642 12.294 ( 0.000 -16.290 14.486) 21.799 12.508 ( 0.000 11.577 13.166) 17.532 12.618 ( 0.000 -0.460 2.319) 2.364 12.714 ( 0.000 -26.163 -24.775) 36.032 12.895 ( 0.000 -7.687 8.446) 11.420 13.071 ( 0.000 -4.211 -7.418) 8.530 13.544 ( 0.000 -7.191 18.442) 19.794 13.983 ( 0.000 1.038 -23.167) 23.190 14.270 ( 0.000 -11.666 12.227) 16.899 14.533 ( 0.000 -9.933 -13.122) 16.457 15.170 ( 0.000 1.466 -1.843) 2.355 15.295 ( 0.000 -5.543 -12.627) 13.790 15.996 ( 0.000 11.297 13.695) 17.753 16.206 ( 0.000 16.049 -5.950) 17.116 16.553 ( 0.000 10.778 13.817) 17.524 16.876 ( 0.000 1.328 10.118) 10.205 16.879 ( 0.000 6.570 -15.764) 17.079 17.060 ( 0.000 2.394 -7.446) 7.822 17.490 ( 0.000 4.625 6.883) 8.292 17.600 ( 0.000 2.856 -4.005) 4.919 25.019 ( 0.000 11.634 -0.315) 11.638 25.029 ( 0.000 11.927 -1.114) 11.979 25.207 ( 0.000 1.956 1.147) 2.268 25.229 ( 0.000 2.112 -1.015) 2.344 25.442 ( 0.000 -1.816 2.577) 3.153 25.493 ( 0.000 -1.898 -2.265) 2.955 25.862 ( 0.000 -0.838 3.294) 3.399 25.910 ( 0.000 -1.141 -1.270) 1.707 26.405 ( 0.000 -0.256 3.714) 3.723 26.405 ( 0.000 4.933 6.844) 8.437 26.491 ( 0.000 -0.695 -4.228) 4.285 26.517 ( 0.000 4.548 -3.787) 5.918 26.839 ( 0.000 -3.814 7.627) 8.527 27.009 ( 0.000 -4.623 -8.425) 9.610 27.131 ( 0.000 -8.728 8.748) 12.358 27.254 ( 0.000 -7.605 -3.939) 8.565 29.317 ( 0.000 4.478 14.140) 14.832 29.599 ( 0.000 2.059 -10.615) 10.813 30.221 ( 0.000 -10.680 8.209) 13.470 30.493 ( 0.000 -6.194 -16.031) 17.186 ======================= Grid point 121 (44/54) ======================= q-point: ( 0.20 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 7.893 15.740 16.466) 24.108 2.301 ( 0.611 15.725 7.841) 17.582 2.547 ( 8.750 12.693 -6.328) 16.664 2.836 ( -0.199 15.000 -18.725) 23.993 3.279 ( -4.695 -8.079 7.516) 11.992 3.363 ( -12.849 -6.951 -1.990) 14.744 3.454 ( 3.423 -2.786 9.139) 10.149 3.571 ( -3.132 -1.846 -0.867) 3.737 3.654 ( -5.362 -3.768 6.859) 9.487 3.774 ( -0.862 -3.781 -0.436) 3.902 3.811 ( -0.639 -2.718 0.502) 2.837 3.921 ( -8.288 1.770 -5.279) 9.985 4.128 ( -5.399 1.321 0.865) 5.626 4.197 ( -3.145 9.631 -0.735) 10.159 4.322 ( 0.292 0.025 9.064) 9.069 4.552 ( 5.501 4.713 -7.148) 10.176 4.697 ( 3.200 -0.337 3.254) 4.576 4.736 ( 0.282 -0.847 -0.269) 0.933 4.854 ( 4.671 0.687 2.783) 5.481 4.927 ( 9.177 -1.582 -2.338) 9.602 5.097 ( 3.633 4.017 9.172) 10.652 5.246 ( 2.485 -5.545 3.402) 6.964 5.306 ( -0.643 -2.716 0.361) 2.815 5.410 ( 2.653 -0.398 -1.182) 2.931 5.493 ( -0.830 -2.068 3.693) 4.313 5.620 ( 4.837 -1.045 -7.377) 8.883 5.693 ( 0.738 -2.761 -5.366) 6.080 5.755 ( -1.544 -4.995 -7.994) 9.552 5.893 ( -0.576 -2.137 1.874) 2.900 5.966 ( -3.442 -3.070 -3.427) 5.746 6.192 ( -5.435 -2.191 6.126) 8.478 6.305 ( -1.052 -0.336 -1.343) 1.739 6.374 ( -2.047 1.075 5.277) 5.762 6.483 ( -4.484 0.928 -3.022) 5.486 6.649 ( 0.594 -2.201 5.887) 6.313 6.793 ( 4.260 -0.910 -6.118) 7.511 6.838 ( 2.677 -2.911 -0.416) 3.977 6.914 ( 3.055 -1.255 -5.287) 6.234 7.228 ( -8.894 -5.764 5.188) 11.800 7.277 ( -5.604 -4.307 0.742) 7.107 7.432 ( 4.452 0.602 4.859) 6.618 7.481 ( 3.538 -2.513 -0.639) 4.386 7.547 ( 0.937 -2.000 1.625) 2.742 7.587 ( 3.002 -2.763 -0.478) 4.108 7.649 ( 3.916 3.414 0.098) 5.196 7.742 ( -2.545 -0.477 -8.245) 8.642 7.971 ( -3.608 -3.844 4.179) 6.727 8.059 ( 3.770 -4.870 -3.804) 7.239 8.234 ( -4.276 0.847 1.355) 4.565 8.323 ( -2.760 4.025 -7.044) 8.569 8.710 ( 2.739 -6.994 2.163) 7.816 8.774 ( 7.905 -4.809 -2.924) 9.704 9.015 ( -0.983 4.458 8.795) 9.909 9.118 ( 7.242 0.166 5.595) 9.154 9.248 ( 8.526 -1.860 -5.900) 10.534 9.337 ( -2.710 1.621 -11.957) 12.367 9.641 ( 2.285 7.876 2.511) 8.576 9.694 ( 5.275 5.892 -2.052) 8.171 10.036 ( -2.478 -2.849 1.794) 4.181 10.110 ( -2.928 -2.317 -5.120) 6.337 10.531 ( 4.891 -0.106 6.016) 7.754 10.588 ( 4.664 0.062 -0.143) 4.666 10.770 ( -7.005 -4.900 1.774) 8.731 10.849 ( 0.582 -1.072 -4.419) 4.584 11.133 ( -3.816 2.130 5.528) 7.047 11.255 ( -2.427 3.561 -5.104) 6.680 11.715 ( -5.624 -1.599 10.023) 11.603 11.859 ( -3.001 -5.384 -4.144) 7.427 12.137 ( -7.655 -8.582 17.472) 20.917 12.421 ( -5.464 -6.275 8.747) 12.072 12.563 ( -1.110 -18.194 -5.918) 19.164 12.748 ( -0.419 -6.298 -18.006) 19.080 12.930 ( 3.635 -8.346 4.597) 10.198 13.043 ( 3.388 -10.359 -4.777) 11.900 13.507 ( -3.135 -6.735 15.232) 16.948 13.904 ( -4.355 0.347 -20.833) 21.286 14.469 ( 11.623 -4.809 9.703) 15.886 14.681 ( 9.866 -7.303 -10.048) 15.863 15.088 ( -6.592 0.334 -1.238) 6.716 15.221 ( -5.955 -5.879 -12.897) 15.374 16.047 ( 4.313 10.165 12.003) 16.310 16.237 ( 2.901 11.767 -5.771) 13.423 16.599 ( 3.006 8.907 13.231) 16.230 16.823 ( -2.129 4.526 -1.733) 5.293 16.883 ( -1.450 3.296 3.688) 5.155 17.110 ( 4.443 3.619 -9.871) 11.414 17.457 ( -3.042 5.678 5.891) 8.730 17.569 ( -3.116 4.376 -5.113) 7.416 24.998 ( -1.358 10.793 0.327) 10.883 25.016 ( -0.593 11.440 -1.258) 11.524 25.258 ( 3.702 2.178 1.428) 4.527 25.285 ( 3.982 2.117 -1.105) 4.643 25.430 ( -1.099 -1.275 2.422) 2.949 25.473 ( -1.439 -1.029 -1.682) 2.441 25.935 ( 4.763 -1.922 4.061) 6.548 25.980 ( 5.828 -1.816 -0.657) 6.140 26.330 ( -3.396 2.586 5.801) 7.203 26.383 ( -2.833 2.064 0.916) 3.623 26.501 ( -0.733 1.104 -1.321) 1.871 26.516 ( 0.928 1.082 -2.702) 3.055 26.896 ( 4.381 -4.110 5.544) 8.174 27.010 ( 0.530 -5.163 -3.808) 6.437 27.157 ( 1.261 -7.816 3.087) 8.498 27.237 ( -1.411 -7.065 -3.754) 8.124 29.351 ( 2.716 5.610 13.999) 15.324 29.641 ( 3.773 2.025 -11.740) 12.497 30.170 ( -4.347 -11.241 7.773) 14.342 30.428 ( -5.295 -7.020 -15.035) 17.418 ======================= Grid point 122 (45/54) ======================= q-point: ( 0.40 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 16.064 7.453 9.167) 19.940 2.395 ( 6.388 9.279 2.413) 11.520 2.716 ( -10.326 -0.498 1.511) 10.448 2.812 ( 12.181 4.605 -0.310) 13.026 2.992 ( -11.836 -1.656 -4.737) 12.856 3.125 ( -5.589 5.377 -2.464) 8.137 3.267 ( -13.138 0.772 -1.827) 13.286 3.447 ( -15.256 1.091 -6.456) 16.602 3.616 ( 2.352 -2.215 -0.054) 3.232 3.688 ( -2.628 1.509 -4.786) 5.665 3.764 ( -0.671 -3.744 5.278) 6.506 3.929 ( 6.466 -1.566 -6.925) 9.603 4.048 ( -2.806 0.062 0.821) 2.924 4.110 ( -5.320 -0.585 -4.264) 6.843 4.557 ( 12.605 9.465 12.067) 19.852 4.677 ( 3.410 -2.421 2.897) 5.088 4.718 ( 3.208 3.015 2.464) 5.045 4.792 ( 2.313 -1.392 -2.226) 3.499 4.993 ( 3.320 0.717 12.891) 13.331 5.140 ( 9.499 -3.320 0.856) 10.098 5.181 ( 5.762 -2.337 5.665) 8.412 5.285 ( 1.474 -2.613 5.141) 5.952 5.339 ( 1.343 -0.700 -5.380) 5.589 5.422 ( -1.419 1.398 0.296) 2.014 5.495 ( -1.850 -2.968 0.745) 3.576 5.608 ( -4.115 -3.908 -2.980) 6.410 5.726 ( 1.369 -8.340 -1.401) 8.567 5.780 ( 2.061 -4.779 -6.777) 8.546 5.899 ( -1.149 0.001 6.995) 7.089 5.976 ( 5.253 0.656 -1.295) 5.450 6.038 ( -4.493 -0.926 5.102) 6.861 6.229 ( -3.165 0.869 -7.631) 8.307 6.295 ( -5.286 4.137 3.663) 7.647 6.362 ( -5.560 3.270 -2.280) 6.841 6.655 ( 0.728 1.057 8.307) 8.405 6.745 ( -8.909 1.630 3.906) 9.863 6.829 ( -2.815 -2.898 -6.631) 7.765 6.916 ( 0.285 5.521 -10.804) 12.136 7.093 ( -1.668 -10.717 3.904) 11.528 7.207 ( 0.976 -6.685 -4.659) 8.206 7.419 ( -0.765 -4.143 2.438) 4.867 7.461 ( -4.662 -3.041 -1.900) 5.881 7.525 ( -0.983 -5.305 5.699) 7.847 7.641 ( -0.335 -5.378 -4.676) 7.135 7.828 ( 10.429 2.052 2.562) 10.934 7.862 ( 10.098 0.549 -0.684) 10.136 8.025 ( 0.169 -0.628 4.881) 4.924 8.117 ( -6.074 1.653 -1.544) 6.481 8.261 ( 3.931 6.741 -3.222) 8.442 8.326 ( 13.199 3.385 -6.501) 15.097 8.749 ( -7.663 2.625 6.402) 10.324 8.825 ( 0.658 -2.831 7.251) 7.811 8.896 ( -4.873 2.853 -4.305) 7.101 9.124 ( -2.445 -3.916 -17.600) 18.196 9.399 ( 2.127 5.125 2.315) 6.012 9.437 ( 2.436 6.457 -1.041) 6.979 9.724 ( 11.590 3.729 3.179) 12.584 9.801 ( 11.330 1.682 -3.470) 11.968 10.032 ( -5.358 -7.675 3.136) 9.872 10.110 ( -3.643 -8.092 -4.190) 9.814 10.524 ( -2.961 -2.287 5.225) 6.427 10.613 ( -1.229 -2.893 -2.765) 4.186 10.779 ( 6.503 -2.514 8.136) 10.715 10.857 ( -1.712 -1.370 7.718) 8.024 11.000 ( -1.471 -0.812 -2.279) 2.831 11.144 ( -8.383 0.534 -7.274) 11.112 11.518 ( -7.357 3.866 7.930) 11.488 11.674 ( -7.914 -3.057 -6.073) 10.434 12.082 ( 0.619 -1.521 19.223) 19.293 12.402 ( 0.718 -24.646 14.061) 28.384 12.593 ( 2.653 -13.818 -22.318) 26.383 12.688 ( -2.801 -18.728 -14.379) 23.777 13.085 ( 7.740 -9.688 6.076) 13.809 13.199 ( 8.176 -7.174 -2.739) 11.217 13.393 ( -7.512 -5.025 12.712) 15.597 13.823 ( -2.546 3.003 -23.515) 23.842 14.654 ( 5.043 2.135 10.689) 12.011 14.852 ( 4.589 -5.230 -4.833) 8.472 14.943 ( -4.700 -1.047 -4.496) 6.588 15.081 ( -5.528 -7.200 -13.852) 16.561 16.154 ( 4.036 8.799 10.045) 13.951 16.324 ( 3.964 6.663 -5.981) 9.792 16.614 ( -1.537 5.268 10.368) 11.731 16.763 ( -3.135 4.520 -3.176) 6.352 16.891 ( 2.276 0.780 17.066) 17.234 17.242 ( 6.823 6.341 -5.119) 10.628 17.373 ( -3.852 6.512 -2.331) 7.917 17.465 ( -5.446 8.883 -5.948) 11.998 24.978 ( -0.443 10.340 1.180) 10.417 25.009 ( -0.115 11.151 -1.753) 11.289 25.336 ( 3.090 0.999 1.677) 3.655 25.364 ( 2.679 0.405 -0.920) 2.861 25.396 ( -1.928 0.451 2.296) 3.032 25.441 ( -1.338 1.526 -1.805) 2.715 25.995 ( 0.701 -2.304 8.376) 8.716 26.083 ( 1.678 -1.299 -0.244) 2.136 26.317 ( 3.288 0.410 5.763) 6.648 26.382 ( 2.402 1.488 0.372) 2.849 26.455 ( -3.270 0.310 -0.560) 3.332 26.499 ( -2.560 0.983 -4.196) 5.012 27.003 ( 4.389 -5.576 2.452) 7.508 27.040 ( 2.331 -6.329 -0.065) 6.745 27.131 ( -3.782 -7.180 0.908) 8.166 27.215 ( -0.355 -4.960 -5.878) 7.699 29.409 ( 1.862 8.448 14.598) 16.969 29.743 ( 4.302 3.187 -16.547) 17.391 30.063 ( -4.194 -13.305 9.318) 16.776 30.314 ( -3.674 -9.533 -13.488) 16.921 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 15.882 8.748) 18.132 2.615 ( 0.000 10.181 -13.018) 16.526 2.856 ( 0.000 5.944 13.701) 14.935 2.949 ( 0.000 5.369 8.152) 9.761 3.238 ( 0.000 -11.149 4.781) 12.131 3.331 ( 0.000 -8.697 5.610) 10.349 3.336 ( 0.000 -5.849 -3.540) 6.837 3.443 ( 0.000 3.949 -7.510) 8.485 3.650 ( 0.000 -3.090 4.788) 5.698 3.660 ( 0.000 -1.741 2.544) 3.083 3.705 ( 0.000 -2.701 -0.282) 2.716 3.925 ( 0.000 -3.199 -16.169) 16.483 4.274 ( 0.000 5.003 12.829) 13.770 4.372 ( 0.000 4.225 4.934) 6.496 4.405 ( 0.000 2.918 2.618) 3.920 4.498 ( 0.000 0.600 -7.607) 7.631 4.712 ( 0.000 2.601 2.277) 3.457 4.791 ( 0.000 2.029 -0.638) 2.127 4.814 ( 0.000 -3.970 -2.802) 4.859 4.832 ( 0.000 2.464 -7.393) 7.793 5.141 ( 0.000 1.682 17.560) 17.640 5.246 ( 0.000 -0.014 12.180) 12.180 5.331 ( 0.000 -4.260 3.937) 5.801 5.397 ( 0.000 4.256 0.520) 4.288 5.400 ( 0.000 1.883 1.011) 2.137 5.582 ( 0.000 -10.347 -11.467) 15.445 5.593 ( 0.000 0.711 -9.924) 9.949 5.680 ( 0.000 -0.430 -11.398) 11.406 5.875 ( 0.000 -1.957 1.887) 2.718 5.960 ( 0.000 -3.101 -4.714) 5.642 6.192 ( 0.000 -2.942 11.569) 11.938 6.258 ( 0.000 1.263 6.328) 6.452 6.414 ( 0.000 0.279 -8.283) 8.288 6.465 ( 0.000 0.710 -12.514) 12.534 6.588 ( 0.000 0.823 8.369) 8.409 6.696 ( 0.000 -0.251 -1.185) 1.211 6.859 ( 0.000 6.884 4.874) 8.435 6.937 ( 0.000 7.238 -2.391) 7.623 7.146 ( 0.000 -11.709 3.729) 12.288 7.241 ( 0.000 -6.417 -5.102) 8.198 7.332 ( 0.000 -3.583 6.997) 7.861 7.389 ( 0.000 -3.896 3.777) 5.426 7.452 ( 0.000 -0.963 4.465) 4.568 7.568 ( 0.000 0.145 3.545) 3.548 7.600 ( 0.000 2.573 -8.297) 8.687 7.753 ( 0.000 -0.943 -12.196) 12.232 8.073 ( 0.000 -0.015 5.912) 5.912 8.096 ( 0.000 -5.645 6.973) 8.971 8.214 ( 0.000 -0.547 -4.360) 4.394 8.247 ( 0.000 -3.667 -7.414) 8.271 8.553 ( 0.000 -1.200 2.988) 3.220 8.732 ( 0.000 0.615 -11.860) 11.876 8.790 ( 0.000 -4.580 6.346) 7.826 8.922 ( 0.000 -6.433 -6.380) 9.060 9.320 ( 0.000 6.072 5.715) 8.338 9.470 ( 0.000 1.090 -8.855) 8.922 9.608 ( 0.000 3.566 3.237) 4.816 9.665 ( 0.000 5.897 -2.131) 6.270 10.234 ( 0.000 -0.294 3.155) 3.169 10.299 ( 0.000 1.625 -4.204) 4.507 10.504 ( 0.000 -0.677 0.518) 0.852 10.529 ( 0.000 -5.472 10.871) 12.171 10.530 ( 0.000 -0.301 -1.859) 1.883 10.722 ( 0.000 -9.319 -6.506) 11.366 11.282 ( 0.000 3.008 4.699) 5.579 11.365 ( 0.000 2.866 -2.920) 4.091 11.483 ( 0.000 -14.303 15.795) 21.309 11.732 ( 0.000 -4.273 -5.667) 7.098 12.101 ( 0.000 -5.275 0.660) 5.316 12.258 ( 0.000 -15.463 -15.371) 21.803 12.436 ( 0.000 -11.212 5.609) 12.536 12.527 ( 0.000 -10.904 -2.658) 11.223 12.854 ( 0.000 2.507 12.070) 12.328 13.017 ( 0.000 -1.584 -2.982) 3.377 13.503 ( 0.000 3.125 25.058) 25.252 14.037 ( 0.000 -10.232 13.873) 17.238 14.050 ( 0.000 4.400 -26.410) 26.774 14.332 ( 0.000 -8.965 -14.650) 17.176 15.278 ( 0.000 6.936 -5.020) 8.562 15.342 ( 0.000 10.263 -10.827) 14.918 16.139 ( 0.000 3.723 19.155) 19.514 16.460 ( 0.000 7.912 -11.647) 14.080 16.795 ( 0.000 11.445 10.912) 15.814 16.871 ( 0.000 -2.087 9.599) 9.823 17.052 ( 0.000 9.200 -13.063) 15.977 17.059 ( 0.000 -2.972 -8.700) 9.193 17.555 ( 0.000 1.752 6.023) 6.273 17.623 ( 0.000 0.146 -0.392) 0.418 25.230 ( 0.000 7.721 0.620) 7.746 25.256 ( 0.000 2.685 1.161) 2.925 25.261 ( 0.000 9.342 -2.004) 9.555 25.278 ( 0.000 2.453 -0.885) 2.607 25.418 ( 0.000 -0.263 2.678) 2.691 25.472 ( 0.000 0.276 -2.522) 2.537 25.845 ( 0.000 -0.786 2.704) 2.816 25.885 ( 0.000 -1.163 -1.124) 1.617 26.398 ( 0.000 -0.327 3.379) 3.394 26.455 ( 0.000 0.074 8.296) 8.297 26.471 ( 0.000 -1.250 -3.072) 3.317 26.567 ( 0.000 0.384 -2.181) 2.214 26.757 ( 0.000 -3.623 5.853) 6.883 26.901 ( 0.000 -5.480 -7.411) 9.217 26.975 ( 0.000 -5.981 6.607) 8.912 27.087 ( 0.000 -7.692 -4.555) 8.939 29.387 ( 0.000 1.355 10.450) 10.537 29.627 ( 0.000 0.204 -10.617) 10.619 30.074 ( 0.000 -2.592 13.211) 13.463 30.410 ( 0.000 -1.601 -17.670) 17.743 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.216 13.077 7.404) 15.077 2.552 ( -0.843 6.993 -5.760) 9.099 2.789 ( -7.440 3.084 10.455) 13.197 2.989 ( -6.245 -0.428 -3.437) 7.141 3.152 ( 3.383 -1.301 6.881) 7.778 3.288 ( -4.340 -5.889 4.471) 8.574 3.363 ( -5.746 -1.969 0.924) 6.144 3.445 ( 3.715 0.388 -7.318) 8.216 3.624 ( -2.369 1.531 3.037) 4.144 3.717 ( 4.341 -2.633 0.467) 5.099 3.742 ( 0.406 0.269 -3.630) 3.662 3.903 ( -2.082 -1.454 -14.345) 14.569 4.211 ( -4.383 3.505 5.164) 7.627 4.284 ( -4.230 1.873 -1.004) 4.734 4.473 ( 8.776 6.397 12.776) 16.768 4.622 ( 0.081 -3.673 -0.985) 3.803 4.682 ( 0.110 0.322 -2.601) 2.623 4.717 ( -1.031 1.150 -2.732) 3.138 4.868 ( 3.732 0.094 1.075) 3.885 4.894 ( 4.669 -0.804 -1.589) 4.997 5.082 ( -1.709 -2.233 11.689) 12.022 5.220 ( -1.586 0.701 8.481) 8.656 5.286 ( -2.819 1.285 -2.893) 4.239 5.373 ( 1.122 -3.753 9.976) 10.717 5.435 ( -1.113 -4.274 -10.701) 11.577 5.556 ( 5.115 -3.090 2.164) 6.356 5.666 ( -1.442 -0.928 -5.200) 5.476 5.734 ( 4.246 5.432 -7.168) 9.945 5.879 ( 0.605 -0.739 -0.040) 0.956 5.913 ( -1.729 -1.941 -2.872) 3.873 6.120 ( -3.535 -4.351 8.230) 9.957 6.262 ( 0.695 -3.531 -1.472) 3.888 6.390 ( -4.158 -0.175 4.719) 6.292 6.533 ( 0.068 2.211 -5.209) 5.659 6.645 ( 3.361 3.207 2.996) 5.528 6.696 ( 0.606 -3.482 0.833) 3.631 6.902 ( 1.793 5.046 -1.913) 5.686 6.978 ( 3.072 4.687 -6.281) 8.418 7.101 ( -4.736 -4.660 4.276) 7.902 7.186 ( -5.045 -2.843 -2.507) 6.310 7.366 ( 1.663 -4.790 5.174) 7.244 7.412 ( 1.845 -4.925 1.642) 5.510 7.486 ( 2.386 -0.701 1.835) 3.090 7.572 ( 4.084 0.836 -4.328) 6.009 7.728 ( 6.770 1.688 -0.853) 7.029 7.759 ( -4.033 -0.287 -4.621) 6.140 7.904 ( -2.977 -0.384 2.110) 3.669 7.983 ( 3.078 -2.004 -4.092) 5.498 8.262 ( -1.827 1.328 4.471) 5.009 8.388 ( 1.147 0.162 -5.237) 5.364 8.561 ( 3.850 -5.405 0.238) 6.640 8.668 ( 8.380 -4.940 -6.910) 11.932 9.061 ( 18.312 -2.240 7.591) 19.949 9.163 ( 6.102 1.680 0.513) 6.350 9.208 ( -0.951 0.657 0.730) 1.367 9.335 ( -9.125 -1.882 -8.545) 12.642 9.770 ( 6.257 3.935 1.387) 7.520 9.791 ( 8.659 2.320 -0.427) 8.974 9.985 ( -12.382 -0.230 2.505) 12.635 10.084 ( -11.902 0.240 -6.892) 13.756 10.492 ( 0.293 -3.216 4.131) 5.243 10.546 ( 0.460 -3.418 -2.029) 4.002 10.699 ( 1.891 -1.798 4.788) 5.453 10.818 ( 6.877 -2.172 -5.659) 9.168 11.147 ( -9.631 -1.066 7.433) 12.212 11.287 ( -5.972 -1.340 -5.440) 8.189 11.579 ( 6.121 -10.865 12.351) 17.552 11.704 ( -4.708 -5.013 0.380) 6.888 11.934 ( -13.961 -8.268 2.666) 16.443 12.105 ( -6.433 -13.254 -8.904) 17.214 12.401 ( -10.816 -9.334 6.274) 15.604 12.533 ( 0.998 -12.859 -8.870) 15.653 12.824 ( 3.824 0.749 9.804) 10.550 13.006 ( 3.362 1.660 -7.128) 8.054 13.437 ( -3.444 -0.332 23.751) 24.002 13.953 ( -3.102 3.609 -23.352) 23.832 14.369 ( 18.285 -5.030 5.641) 19.785 14.518 ( 11.770 -7.608 -8.191) 16.233 15.187 ( -7.589 6.683 -5.089) 11.321 15.247 ( -7.447 9.913 -9.874) 15.850 16.186 ( 3.926 4.049 15.308) 16.313 16.423 ( -2.093 6.089 -7.649) 9.998 16.781 ( -1.813 7.199 10.124) 12.554 16.843 ( -1.777 -1.272 11.070) 11.283 16.968 ( -4.529 2.023 -6.503) 8.179 17.158 ( 5.423 1.366 -14.533) 15.572 17.552 ( -0.547 3.535 6.049) 7.027 17.636 ( 0.806 2.764 -1.732) 3.360 25.188 ( -1.793 6.878 1.198) 7.208 25.222 ( -0.905 7.247 -1.785) 7.518 25.318 ( 2.235 2.854 0.493) 3.659 25.333 ( 2.477 2.191 -0.822) 3.408 25.427 ( 1.253 1.799 2.878) 3.618 25.478 ( 0.856 1.885 -1.987) 2.869 25.899 ( 3.679 -1.503 3.394) 5.226 25.943 ( 4.903 -1.762 -0.985) 5.302 26.353 ( -2.979 0.317 5.530) 6.290 26.413 ( -3.244 0.737 1.531) 3.662 26.493 ( 0.360 -1.186 -0.843) 1.499 26.526 ( -1.113 -0.803 -0.306) 1.407 26.803 ( 2.808 -4.515 3.856) 6.568 26.887 ( -0.703 -6.336 -2.108) 6.714 27.000 ( 0.713 -7.020 1.847) 7.293 27.086 ( 0.274 -6.687 -5.196) 8.473 29.443 ( 5.011 1.965 10.650) 11.933 29.681 ( 4.838 1.227 -9.919) 11.104 30.009 ( -5.677 -3.121 11.980) 13.619 30.329 ( -7.004 -2.059 -16.898) 18.407 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 4.531 2.648 9.778) 11.097 2.630 ( 6.704 8.371 -3.332) 11.230 2.681 ( -1.823 -2.783 2.360) 4.079 2.781 ( -7.993 1.750 -5.283) 9.739 3.029 ( -11.032 2.827 3.620) 11.950 3.208 ( -3.839 -3.059 -2.534) 5.523 3.246 ( -4.479 4.254 0.993) 6.256 3.492 ( 0.320 1.330 -13.301) 13.371 3.615 ( 2.249 2.715 4.503) 5.719 3.699 ( -1.442 0.438 -3.237) 3.570 3.809 ( 3.712 5.047 6.112) 8.752 3.961 ( 6.284 5.117 -6.123) 10.157 4.079 ( -6.233 2.887 1.034) 6.947 4.147 ( -7.692 4.273 -4.019) 9.674 4.536 ( -4.277 -8.847 6.137) 11.586 4.640 ( 2.411 -5.878 -3.417) 7.213 4.711 ( 5.177 -1.829 4.546) 7.128 4.781 ( 0.316 -0.627 -1.579) 1.728 4.994 ( 7.919 -4.156 7.386) 11.599 5.053 ( 6.646 -4.729 2.703) 8.593 5.109 ( 2.788 -1.773 3.787) 5.026 5.224 ( -2.249 -6.261 2.916) 7.263 5.271 ( 5.538 -0.411 0.269) 5.560 5.361 ( -2.546 -4.620 4.737) 7.090 5.457 ( 2.583 -1.652 -5.217) 6.051 5.534 ( -7.834 0.971 -5.015) 9.352 5.714 ( 7.005 5.992 7.284) 11.749 5.769 ( 1.511 2.104 1.134) 2.827 5.922 ( -2.274 0.729 4.719) 5.289 5.969 ( 4.821 -1.718 0.206) 5.122 6.022 ( -2.767 -0.607 4.120) 5.000 6.237 ( -2.130 0.352 -10.380) 10.602 6.310 ( -2.341 -3.616 4.635) 6.328 6.428 ( -6.177 0.810 -6.227) 8.809 6.669 ( -1.511 -4.431 8.071) 9.331 6.761 ( 5.864 6.455 7.678) 11.619 6.878 ( -2.843 -1.123 0.402) 3.083 6.935 ( -7.085 3.288 1.914) 8.042 7.053 ( 1.091 5.184 -12.155) 13.260 7.105 ( -1.371 0.083 -7.415) 7.542 7.344 ( 0.564 -2.652 3.330) 4.294 7.414 ( -4.294 -0.447 -0.802) 4.391 7.431 ( -1.863 -3.061 -0.561) 3.627 7.519 ( -6.232 -4.139 -6.039) 9.615 7.837 ( 8.082 0.714 4.852) 9.454 7.913 ( 7.458 0.943 -0.674) 7.548 8.016 ( 4.498 -0.867 0.807) 4.651 8.117 ( -0.533 -1.304 -6.088) 6.249 8.351 ( 12.207 2.147 1.718) 12.513 8.407 ( 11.604 0.887 -1.944) 11.799 8.748 ( 2.492 -2.138 4.619) 5.667 8.809 ( -2.791 0.470 0.981) 2.995 8.943 ( -7.583 0.823 -2.722) 8.098 9.019 ( -10.396 -5.325 -10.766) 15.885 9.454 ( 13.038 0.828 6.806) 14.731 9.546 ( 8.286 1.380 -2.363) 8.726 9.729 ( -2.508 -1.954 2.082) 3.800 9.820 ( 1.717 -1.092 -4.422) 4.868 9.934 ( 1.440 -1.296 0.881) 2.128 9.979 ( -0.910 -2.152 -3.141) 3.915 10.451 ( -6.881 -4.579 4.113) 9.233 10.522 ( -1.909 -5.622 -2.382) 6.397 10.731 ( 2.655 -1.888 9.195) 9.755 10.831 ( -4.421 0.118 6.842) 8.147 10.970 ( -2.357 -1.581 -5.077) 5.816 11.105 ( -8.688 -3.332 -9.863) 13.560 11.497 ( -8.109 -5.322 4.406) 10.653 11.582 ( -5.648 -5.867 -3.287) 8.782 11.882 ( 9.740 -11.480 14.164) 20.671 12.067 ( 0.411 -12.714 5.729) 13.951 12.198 ( -7.242 -11.460 1.772) 13.671 12.473 ( -3.428 -12.137 -17.465) 21.543 12.967 ( 5.770 -0.958 8.502) 10.320 13.169 ( 8.130 2.614 -8.714) 12.200 13.352 ( -4.699 -0.121 22.340) 22.829 13.902 ( -1.488 4.026 -27.205) 27.541 14.659 ( 6.097 -5.617 2.931) 8.793 14.750 ( 10.615 -2.173 -1.753) 10.976 14.981 ( -10.473 4.591 -3.718) 12.025 15.101 ( -4.303 11.178 -9.847) 15.506 16.287 ( 4.070 4.226 8.604) 10.414 16.419 ( 1.505 2.818 -3.968) 5.094 16.697 ( -4.292 1.963 8.890) 10.065 16.807 ( -2.601 -0.253 7.679) 8.112 16.886 ( -1.207 -1.719 6.543) 6.872 17.278 ( 4.418 -1.754 -18.702) 19.297 17.522 ( -1.867 7.437 7.686) 10.856 17.644 ( -0.001 7.299 -3.731) 8.197 25.164 ( -0.503 7.094 1.976) 7.381 25.214 ( -0.055 7.822 -2.663) 8.263 25.340 ( 0.136 -0.324 1.001) 1.061 25.359 ( 0.318 -0.541 -0.786) 1.006 25.467 ( 1.485 5.729 2.492) 6.422 25.510 ( 1.442 4.693 -1.631) 5.173 25.949 ( 0.658 -2.082 7.520) 7.830 26.044 ( 2.628 -2.558 -1.564) 3.987 26.316 ( 0.415 -0.343 6.195) 6.219 26.390 ( 1.774 -0.160 -0.302) 1.807 26.457 ( -3.058 -0.198 0.218) 3.072 26.507 ( -1.616 -0.311 -3.524) 3.889 26.869 ( 3.252 -6.780 2.642) 7.970 26.890 ( 1.155 -7.559 1.310) 7.758 26.964 ( -3.538 -8.180 1.452) 9.030 27.102 ( 0.620 -5.401 -8.832) 10.371 29.587 ( 7.131 5.876 11.318) 14.611 29.795 ( 0.601 -0.863 5.616) 5.713 29.879 ( -1.205 -0.702 -4.621) 4.827 30.145 ( -8.152 -5.396 -15.799) 18.579 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 0.704 4.946) 4.996 2.658 ( 0.000 -6.165 -3.986) 7.342 2.691 ( 0.000 -8.446 19.804) 21.530 2.850 ( 0.000 -14.900 6.986) 16.456 3.151 ( 0.000 4.444 3.642) 5.745 3.281 ( 0.000 -0.611 -7.319) 7.345 3.284 ( 0.000 2.531 2.043) 3.253 3.534 ( 0.000 -0.480 -16.728) 16.735 3.612 ( 0.000 -0.120 3.529) 3.531 3.669 ( 0.000 -0.781 -1.706) 1.876 3.830 ( 0.000 16.641 8.346) 18.617 4.052 ( 0.000 10.589 -9.809) 14.434 4.356 ( 0.000 5.063 7.390) 8.958 4.444 ( 0.000 2.532 0.881) 2.681 4.457 ( 0.000 2.256 -0.317) 2.278 4.477 ( 0.000 -0.931 -3.444) 3.567 4.727 ( 0.000 -1.460 4.131) 4.382 4.753 ( 0.000 -1.503 5.151) 5.366 4.844 ( 0.000 1.287 -3.004) 3.268 4.848 ( 0.000 -1.626 -5.891) 6.111 5.084 ( 0.000 -9.793 8.496) 12.965 5.126 ( 0.000 -0.977 16.048) 16.078 5.220 ( 0.000 -10.010 -3.659) 10.658 5.418 ( 0.000 -3.216 -9.388) 9.924 5.460 ( 0.000 2.879 3.456) 4.498 5.555 ( 0.000 1.276 1.058) 1.658 5.571 ( 0.000 5.601 -5.490) 7.842 5.691 ( 0.000 -0.898 -9.268) 9.311 5.772 ( 0.000 -5.729 2.645) 6.310 5.875 ( 0.000 -5.041 -5.601) 7.536 6.253 ( 0.000 6.013 11.371) 12.863 6.287 ( 0.000 1.640 5.555) 5.792 6.421 ( 0.000 0.243 -7.119) 7.123 6.444 ( 0.000 -1.707 -4.543) 4.853 6.635 ( 0.000 1.534 7.401) 7.558 6.777 ( 0.000 3.268 -4.281) 5.386 6.958 ( 0.000 -2.381 4.670) 5.242 6.981 ( 0.000 2.775 6.113) 6.713 7.062 ( 0.000 1.587 -1.774) 2.380 7.129 ( 0.000 -4.031 -9.708) 10.512 7.281 ( 0.000 1.346 5.255) 5.425 7.337 ( 0.000 0.557 1.684) 1.774 7.467 ( 0.000 3.100 8.836) 9.364 7.602 ( 0.000 3.147 4.596) 5.571 7.680 ( 0.000 5.674 -8.991) 10.632 7.741 ( 0.000 -0.487 -10.452) 10.464 7.976 ( 0.000 -5.740 8.436) 10.203 8.034 ( 0.000 -4.194 3.285) 5.327 8.151 ( 0.000 -5.704 -6.865) 8.926 8.175 ( 0.000 -3.198 -9.583) 10.103 8.593 ( 0.000 5.231 3.440) 6.261 8.694 ( 0.000 -3.920 3.987) 5.591 8.761 ( 0.000 0.835 -11.373) 11.403 8.797 ( 0.000 -5.047 -5.662) 7.585 9.397 ( 0.000 0.040 3.873) 3.873 9.480 ( 0.000 0.374 -3.865) 3.883 9.670 ( 0.000 2.312 4.510) 5.068 9.762 ( 0.000 3.171 -4.110) 5.191 10.156 ( 0.000 -4.941 9.365) 10.589 10.317 ( 0.000 0.943 -4.389) 4.490 10.464 ( 0.000 -3.311 1.722) 3.732 10.469 ( 0.000 -2.051 2.312) 3.090 10.517 ( 0.000 -1.169 -2.032) 2.344 10.573 ( 0.000 -2.714 -6.131) 6.705 11.263 ( 0.000 -6.137 17.122) 18.188 11.329 ( 0.000 1.500 5.007) 5.227 11.391 ( 0.000 -0.281 -0.471) 0.548 11.638 ( 0.000 -3.984 -16.874) 17.338 11.972 ( 0.000 -5.241 3.573) 6.343 12.111 ( 0.000 -1.923 -8.686) 8.897 12.232 ( 0.000 -7.150 1.563) 7.319 12.295 ( 0.000 -9.125 -3.739) 9.861 12.866 ( 0.000 -0.635 10.695) 10.714 12.999 ( 0.000 -0.490 -2.544) 2.591 13.598 ( 0.000 4.200 26.081) 26.417 13.864 ( 0.000 -6.040 14.995) 16.166 14.132 ( 0.000 2.960 -24.889) 25.064 14.178 ( 0.000 -5.426 -15.429) 16.355 15.468 ( 0.000 9.909 -1.553) 10.030 15.593 ( 0.000 11.345 -13.494) 17.629 16.187 ( 0.000 1.235 20.800) 20.836 16.558 ( 0.000 2.361 -15.086) 15.269 16.801 ( 0.000 -3.706 7.424) 8.297 16.944 ( 0.000 -7.211 -6.718) 9.855 16.993 ( 0.000 6.923 10.346) 12.449 17.217 ( 0.000 5.855 -11.031) 12.489 17.574 ( 0.000 0.375 5.725) 5.737 17.625 ( 0.000 0.113 0.993) 0.999 25.309 ( 0.000 2.120 0.930) 2.316 25.323 ( 0.000 1.802 1.597) 2.408 25.324 ( 0.000 1.755 -0.446) 1.811 25.366 ( 0.000 1.021 -1.785) 2.056 25.460 ( 0.000 3.837 1.586) 4.152 25.507 ( 0.000 2.357 -2.462) 3.408 25.832 ( 0.000 -0.430 2.062) 2.106 25.864 ( 0.000 -0.807 -0.947) 1.244 26.394 ( 0.000 0.103 2.819) 2.821 26.432 ( 0.000 -1.552 8.923) 9.057 26.439 ( 0.000 -1.720 -0.692) 1.854 26.548 ( 0.000 -1.560 -1.280) 2.018 26.703 ( 0.000 -1.363 2.413) 2.772 26.795 ( 0.000 -4.349 -5.679) 7.153 26.884 ( 0.000 -2.776 3.755) 4.670 26.962 ( 0.000 -4.005 -4.146) 5.764 29.381 ( 0.000 -1.096 8.961) 9.028 29.609 ( 0.000 -1.279 -12.025) 12.092 30.092 ( 0.000 2.616 14.543) 14.777 30.410 ( 0.000 0.842 -15.739) 15.761 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -2.031 -1.354 5.566) 6.078 2.568 ( -2.807 -0.999 0.510) 3.023 2.714 ( -2.570 -6.474 9.288) 11.610 2.835 ( -0.346 -11.291 0.251) 11.299 3.193 ( 1.017 4.217 1.233) 4.510 3.225 ( -1.207 2.118 -0.337) 2.461 3.393 ( 6.121 0.759 3.169) 6.935 3.533 ( -1.080 2.151 -5.900) 6.372 3.666 ( 3.983 1.328 4.040) 5.827 3.723 ( 2.688 5.385 -1.634) 6.237 3.869 ( 1.498 8.931 -3.169) 9.595 3.957 ( -6.929 6.564 -9.165) 13.232 4.249 ( -5.686 1.307 3.467) 6.787 4.313 ( -4.606 1.062 -1.745) 5.039 4.457 ( 0.136 -6.441 3.151) 7.172 4.480 ( -1.377 -6.007 0.191) 6.165 4.701 ( -4.705 1.068 2.915) 5.637 4.754 ( -0.542 1.415 -1.020) 1.826 4.851 ( -0.725 -2.440 3.693) 4.486 4.933 ( 4.698 3.229 -2.778) 6.341 5.046 ( 1.800 -0.011 6.047) 6.309 5.179 ( 0.285 -5.309 3.633) 6.439 5.244 ( 1.041 -5.700 1.992) 6.128 5.298 ( -5.486 0.242 -3.691) 6.616 5.451 ( 0.987 1.993 3.439) 4.095 5.551 ( 5.034 5.003 -5.518) 8.990 5.683 ( 4.565 -0.621 3.045) 5.522 5.792 ( 3.979 -1.927 -6.597) 7.941 5.827 ( 4.648 -3.618 1.505) 6.079 5.880 ( 0.415 -0.857 -2.522) 2.695 6.091 ( -8.513 2.506 6.393) 10.937 6.195 ( -2.762 -1.631 -0.601) 3.263 6.368 ( -5.173 -1.901 4.918) 7.387 6.503 ( -1.439 -3.040 -4.577) 5.679 6.664 ( -0.251 1.127 6.212) 6.318 6.791 ( 1.442 5.503 -3.570) 6.716 6.894 ( -2.103 -2.901 4.523) 5.770 7.026 ( 0.175 -1.054 -4.461) 4.587 7.125 ( 1.757 1.758 0.546) 2.544 7.180 ( 1.904 -2.603 -2.881) 4.325 7.295 ( 1.980 2.157 2.929) 4.141 7.330 ( 5.384 0.214 0.978) 5.477 7.506 ( 3.466 3.489 4.394) 6.595 7.637 ( 3.060 4.234 -5.655) 7.698 7.748 ( 0.403 2.050 -0.081) 2.091 7.765 ( 0.176 0.791 -2.827) 2.941 7.917 ( 2.202 0.645 0.574) 2.365 7.974 ( -1.699 0.522 -3.844) 4.235 8.228 ( 3.243 -4.337 2.208) 5.848 8.333 ( 3.812 -4.981 -3.960) 7.418 8.501 ( 4.108 -0.247 -0.340) 4.129 8.612 ( 2.440 -0.828 -7.118) 7.570 8.977 ( 14.175 -4.003 4.959) 15.541 9.084 ( 14.883 -6.561 -4.560) 16.892 9.246 ( -8.964 -1.840 2.693) 9.539 9.302 ( -10.474 0.417 -2.260) 10.723 9.789 ( 3.462 -0.739 0.502) 3.575 9.819 ( 1.785 1.279 -1.891) 2.898 10.011 ( -7.847 1.304 6.412) 10.217 10.144 ( -9.850 4.830 -6.291) 12.647 10.410 ( -1.279 -4.063 4.495) 6.192 10.509 ( -0.096 0.355 -4.467) 4.482 10.666 ( 6.503 -1.637 3.779) 7.697 10.748 ( 9.832 -4.482 -4.042) 11.537 11.098 ( -6.806 -2.641 7.174) 10.235 11.215 ( -8.774 -3.554 -2.677) 9.838 11.459 ( -0.904 -1.503 5.919) 6.173 11.592 ( -6.648 -5.547 -5.860) 10.455 11.805 ( -10.757 -2.771 7.453) 13.377 11.966 ( -7.357 -2.514 -6.268) 9.987 12.177 ( -8.217 -9.768 3.760) 13.306 12.308 ( -0.528 -7.785 -9.491) 12.287 12.856 ( 3.394 1.034 10.983) 11.541 13.037 ( 6.255 1.072 -6.748) 9.264 13.452 ( -5.517 0.921 28.361) 28.907 14.023 ( -2.331 2.573 -24.712) 24.955 14.272 ( 21.472 -3.830 3.570) 22.101 14.392 ( 11.258 -4.054 -7.935) 14.357 15.373 ( -7.682 9.883 -0.549) 12.529 15.507 ( -6.391 12.100 -12.642) 18.630 16.244 ( 4.249 1.847 16.521) 17.158 16.506 ( -3.800 2.368 -8.863) 9.930 16.750 ( -3.569 -4.775 7.926) 9.918 16.899 ( -4.861 -3.680 -3.709) 7.136 16.935 ( -4.833 1.827 8.445) 9.901 17.197 ( 0.282 2.010 -13.477) 13.629 17.610 ( 2.375 1.998 6.564) 7.261 17.688 ( 4.180 1.975 -1.006) 4.731 25.288 ( -1.071 3.069 1.569) 3.609 25.313 ( 0.095 2.029 -0.317) 2.056 25.348 ( 0.454 0.535 0.100) 0.708 25.363 ( -0.508 1.051 -1.243) 1.705 25.504 ( 3.713 3.870 1.571) 5.588 25.538 ( 2.759 2.879 -1.489) 4.256 25.874 ( 2.944 -0.851 2.475) 3.939 25.910 ( 3.742 -1.282 -1.025) 4.086 26.357 ( -3.015 0.227 6.613) 7.272 26.412 ( -2.176 -0.754 2.816) 3.638 26.463 ( 1.631 -1.432 -0.996) 2.388 26.501 ( -1.855 -0.986 -0.509) 2.162 26.715 ( 0.232 -3.767 2.350) 4.446 26.772 ( -1.387 -4.036 -2.230) 4.815 26.879 ( -1.299 -4.184 2.461) 5.024 26.981 ( 1.636 -3.240 -6.553) 7.491 29.436 ( 4.830 -1.502 10.266) 11.444 29.679 ( 6.213 -0.935 -12.226) 13.746 30.028 ( -5.571 3.044 13.534) 14.949 30.328 ( -7.155 1.109 -14.993) 16.650 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -4.462 -2.622 4.414) 6.802 2.508 ( 0.034 -6.696 -1.151) 6.794 2.811 ( 9.161 5.629 2.141) 10.963 2.876 ( 6.296 1.955 -2.754) 7.144 3.094 ( -9.575 4.538 0.232) 10.599 3.166 ( -5.018 0.285 -4.816) 6.961 3.408 ( -6.981 10.104 4.516) 13.085 3.508 ( 2.927 -0.542 -2.789) 4.079 3.652 ( -4.506 0.142 0.535) 4.540 3.703 ( -5.153 -0.293 -3.967) 6.510 3.913 ( 14.129 5.735 7.732) 17.097 4.060 ( 7.810 2.845 -6.305) 10.433 4.192 ( -6.623 5.954 4.702) 10.071 4.252 ( -1.475 3.726 2.024) 4.489 4.354 ( -6.194 -6.598 -0.576) 9.068 4.448 ( -0.162 -9.167 -6.174) 11.054 4.650 ( 1.064 -3.674 4.740) 6.091 4.729 ( -2.960 -1.792 -1.849) 3.923 4.855 ( 1.038 -8.092 6.786) 10.612 4.971 ( -0.490 -1.970 1.530) 2.542 5.054 ( 0.238 -3.035 -2.480) 3.926 5.109 ( -3.510 -5.861 -7.547) 10.180 5.272 ( 1.506 2.728 6.364) 7.086 5.357 ( 6.522 2.074 0.742) 6.884 5.510 ( 0.673 5.661 3.796) 6.849 5.609 ( -1.150 4.491 -3.431) 5.767 5.784 ( 4.976 -2.966 2.827) 6.446 5.810 ( -0.049 0.482 1.700) 1.767 5.904 ( 3.698 -1.661 2.558) 4.794 5.930 ( 1.435 -1.084 1.629) 2.427 6.023 ( 0.884 1.238 7.048) 7.211 6.180 ( -1.390 -4.918 3.472) 6.179 6.256 ( -1.242 -0.876 -5.284) 5.499 6.374 ( -7.521 -1.782 -8.596) 11.560 6.636 ( -1.737 0.604 8.907) 9.095 6.764 ( -2.798 -4.074 0.617) 4.980 6.944 ( 7.146 7.107 4.042) 10.859 7.061 ( 0.044 3.520 1.254) 3.737 7.119 ( 1.601 3.067 -5.656) 6.630 7.181 ( -1.688 0.609 -3.666) 4.082 7.323 ( 1.077 1.781 2.431) 3.200 7.404 ( -4.907 1.043 1.915) 5.370 7.457 ( -2.599 3.535 -5.140) 6.758 7.530 ( -8.013 4.511 -6.804) 11.439 7.864 ( 6.414 2.271 1.780) 7.034 7.885 ( 7.832 -2.850 -0.383) 8.344 7.983 ( 1.604 -1.983 -0.280) 2.566 8.070 ( 3.847 -2.896 -7.892) 9.245 8.311 ( 8.182 -6.143 3.951) 10.968 8.364 ( 7.906 -2.949 -1.124) 8.513 8.724 ( 3.806 -3.348 -0.425) 5.086 8.765 ( -2.612 -0.388 -3.740) 4.578 8.914 ( -5.227 -2.339 0.504) 5.749 8.953 ( -6.043 -1.956 -2.800) 6.941 9.423 ( 11.932 -3.838 8.772) 15.298 9.525 ( 15.440 0.197 2.209) 15.599 9.733 ( -6.506 0.365 -2.301) 6.911 9.766 ( -4.800 -2.274 -5.734) 7.816 9.944 ( 0.201 1.898 -0.567) 1.991 9.988 ( 2.530 0.733 -3.013) 4.002 10.362 ( -11.474 -2.990 5.051) 12.888 10.417 ( -5.272 -3.854 0.430) 6.545 10.699 ( -3.020 -0.973 7.797) 8.418 10.851 ( 3.608 -0.129 -4.649) 5.887 10.965 ( -5.513 2.198 -0.555) 5.961 11.052 ( -6.186 -1.264 -6.562) 9.106 11.358 ( -2.591 -6.227 4.571) 8.148 11.446 ( -1.964 -6.089 -3.752) 7.417 11.760 ( 3.883 -1.699 9.905) 10.774 11.878 ( 0.420 -4.653 3.219) 5.673 12.005 ( -8.407 -7.899 4.334) 12.323 12.231 ( -3.568 -9.510 -13.429) 16.838 12.988 ( 5.621 1.517 10.859) 12.321 13.231 ( 7.873 2.519 -11.048) 13.798 13.357 ( -3.555 0.287 27.946) 28.173 13.973 ( -1.723 2.540 -29.212) 29.373 14.544 ( 3.372 -4.103 1.229) 5.451 14.669 ( 11.195 -3.997 -9.623) 15.294 15.193 ( -6.836 11.957 6.677) 15.306 15.390 ( -3.133 14.003 -11.003) 18.082 16.344 ( 4.285 1.581 7.750) 8.996 16.455 ( -0.326 0.898 -2.911) 3.064 16.656 ( -4.744 -5.025 6.151) 9.251 16.774 ( -5.032 -4.961 -3.646) 7.952 16.831 ( -2.467 -0.653 18.604) 18.778 17.237 ( 1.920 -1.322 -18.485) 18.631 17.647 ( 0.820 4.224 7.716) 8.835 17.756 ( 1.645 3.450 -2.918) 4.808 25.274 ( -0.295 3.566 2.404) 4.311 25.323 ( 0.756 1.656 -0.694) 1.948 25.343 ( -0.912 1.793 -1.250) 2.368 25.351 ( -0.246 -0.152 -0.689) 0.747 25.585 ( 2.625 4.671 1.251) 5.502 25.605 ( 2.454 3.637 -0.599) 4.428 25.914 ( 0.448 -1.095 5.670) 5.792 25.984 ( 1.884 -2.848 -1.031) 3.567 26.307 ( -0.833 -0.462 6.454) 6.524 26.386 ( 0.735 -0.188 -0.939) 1.207 26.454 ( -1.844 0.114 -0.375) 1.886 26.489 ( -0.784 -1.168 -3.267) 3.557 26.735 ( 2.626 -5.610 4.468) 7.637 26.758 ( 0.036 -4.559 -0.201) 4.563 26.819 ( -3.889 -5.171 3.705) 7.456 27.011 ( 0.741 -3.056 -10.962) 11.404 29.568 ( 5.927 -3.631 14.059) 15.683 29.856 ( 5.574 1.713 -5.326) 7.898 29.888 ( -1.998 2.420 2.091) 3.771 30.125 ( -10.490 2.187 -12.895) 16.766 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.000 0.000 4.614) 4.614 2.581 ( 0.000 0.000 -1.039) 1.039 2.612 ( 0.000 0.000 19.996) 19.996 2.656 ( 0.000 0.000 10.198) 10.198 3.234 ( 0.000 0.000 -2.078) 2.078 3.260 ( 0.000 -0.000 -4.268) 4.268 3.301 ( 0.000 0.000 -2.244) 2.244 3.522 ( 0.000 0.000 -18.613) 18.613 3.630 ( 0.000 -0.000 2.520) 2.520 3.656 ( 0.000 0.000 0.076) 0.076 4.096 ( 0.000 0.000 5.898) 5.898 4.146 ( 0.000 0.000 1.463) 1.463 4.454 ( 0.000 0.000 3.041) 3.041 4.466 ( 0.000 0.000 2.635) 2.635 4.477 ( 0.000 0.000 1.060) 1.060 4.485 ( 0.000 0.000 0.317) 0.317 4.726 ( 0.000 0.000 -1.565) 1.565 4.738 ( 0.000 0.000 5.327) 5.327 4.782 ( 0.000 -0.000 -7.589) 7.589 4.830 ( 0.000 0.000 -0.034) 0.034 4.978 ( 0.000 0.000 3.262) 3.262 5.070 ( 0.000 -0.000 -5.015) 5.015 5.124 ( 0.000 0.000 12.931) 12.931 5.352 ( 0.000 0.000 -8.902) 8.902 5.510 ( 0.000 0.000 8.011) 8.011 5.613 ( 0.000 0.000 1.055) 1.055 5.625 ( 0.000 0.000 -1.581) 1.581 5.638 ( 0.000 -0.000 -3.545) 3.545 5.757 ( 0.000 -0.000 -4.126) 4.126 5.774 ( 0.000 0.000 -7.525) 7.525 6.312 ( 0.000 0.000 4.379) 4.379 6.340 ( 0.000 0.000 8.346) 8.346 6.413 ( 0.000 0.000 1.942) 1.942 6.421 ( 0.000 0.000 -5.834) 5.834 6.652 ( 0.000 -0.000 6.257) 6.257 6.748 ( 0.000 0.000 0.902) 0.902 6.986 ( 0.000 0.000 6.490) 6.490 7.043 ( 0.000 -0.000 -7.257) 7.257 7.047 ( 0.000 0.000 -5.036) 5.036 7.052 ( 0.000 0.000 0.346) 0.346 7.346 ( 0.000 -0.000 1.394) 1.394 7.348 ( 0.000 0.000 3.154) 3.154 7.533 ( 0.000 0.000 10.183) 10.183 7.691 ( 0.000 0.000 -3.306) 3.306 7.701 ( 0.000 -0.000 -3.089) 3.089 7.791 ( 0.000 0.000 -12.932) 12.932 7.898 ( 0.000 -0.000 9.554) 9.554 7.939 ( 0.000 -0.000 6.111) 6.111 8.061 ( 0.000 0.000 -6.576) 6.576 8.134 ( 0.000 0.000 -9.828) 9.828 8.651 ( 0.000 0.000 2.349) 2.349 8.708 ( 0.000 0.000 -3.215) 3.215 8.730 ( 0.000 0.000 -3.733) 3.733 8.738 ( 0.000 0.000 -5.512) 5.512 9.377 ( 0.000 0.000 4.149) 4.149 9.480 ( 0.000 0.000 -5.092) 5.092 9.697 ( 0.000 0.000 4.504) 4.504 9.794 ( 0.000 0.000 -4.566) 4.566 10.102 ( 0.000 0.000 11.097) 11.097 10.335 ( 0.000 0.000 -11.085) 11.085 10.407 ( 0.000 -0.000 8.048) 8.048 10.444 ( 0.000 0.000 3.347) 3.347 10.499 ( 0.000 0.000 -1.728) 1.728 10.566 ( 0.000 0.000 -7.457) 7.457 11.207 ( 0.000 0.000 16.226) 16.226 11.350 ( 0.000 -0.000 2.963) 2.963 11.375 ( 0.000 0.000 1.861) 1.861 11.595 ( 0.000 0.000 -20.448) 20.448 11.919 ( 0.000 0.000 7.803) 7.803 12.095 ( 0.000 0.000 -9.029) 9.029 12.157 ( 0.000 0.000 -0.440) 0.440 12.195 ( 0.000 0.000 -3.336) 3.336 12.857 ( 0.000 0.000 11.044) 11.044 12.993 ( 0.000 0.000 -3.032) 3.032 13.644 ( 0.000 0.000 25.698) 25.698 13.799 ( 0.000 0.000 15.383) 15.383 14.120 ( 0.000 0.000 -15.654) 15.654 14.163 ( 0.000 0.000 -24.076) 24.076 15.594 ( 0.000 0.000 -1.001) 1.001 15.726 ( 0.000 0.000 -13.635) 13.635 16.199 ( 0.000 0.000 21.093) 21.093 16.580 ( 0.000 0.000 -15.754) 15.754 16.763 ( 0.000 0.000 4.307) 4.307 16.838 ( 0.000 0.000 -3.294) 3.294 17.067 ( 0.000 0.000 9.962) 9.962 17.280 ( 0.000 0.000 -10.391) 10.391 17.577 ( 0.000 0.000 5.687) 5.687 17.626 ( 0.000 0.000 1.079) 1.079 25.333 ( 0.000 0.000 0.747) 0.747 25.338 ( 0.000 0.000 1.587) 1.587 25.343 ( 0.000 0.000 -0.143) 0.143 25.371 ( 0.000 0.000 -0.764) 0.764 25.506 ( 0.000 0.000 0.241) 0.241 25.535 ( 0.000 0.000 -2.030) 2.030 25.827 ( 0.000 0.000 1.712) 1.712 25.855 ( 0.000 0.000 -0.826) 0.826 26.404 ( 0.000 -0.000 1.784) 1.784 26.410 ( 0.000 0.000 1.435) 1.435 26.413 ( 0.000 0.000 8.783) 8.783 26.528 ( 0.000 0.000 -0.892) 0.892 26.696 ( 0.000 0.000 -0.196) 0.196 26.741 ( 0.000 0.000 -4.102) 4.102 26.856 ( 0.000 0.000 2.797) 2.797 26.921 ( 0.000 0.000 -3.882) 3.882 29.367 ( 0.000 0.000 8.837) 8.837 29.594 ( 0.000 0.000 -12.214) 12.214 30.126 ( 0.000 0.000 13.824) 13.824 30.422 ( 0.000 0.000 -14.503) 14.503 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -3.398 -0.000 5.650) 6.593 2.520 ( -4.168 0.000 6.726) 7.913 2.673 ( 5.841 0.000 3.227) 6.673 2.679 ( 4.572 -0.000 3.661) 5.857 3.244 ( -1.102 0.000 -1.985) 2.270 3.258 ( -0.720 -0.000 -3.311) 3.388 3.391 ( 5.879 0.000 3.121) 6.656 3.530 ( 0.091 0.000 -6.468) 6.469 3.713 ( 8.809 0.000 3.674) 9.544 3.801 ( 8.762 0.000 -5.737) 10.473 3.994 ( -9.069 0.000 2.107) 9.311 4.027 ( -9.031 -0.000 -0.730) 9.061 4.299 ( -10.986 0.000 1.641) 11.108 4.320 ( -4.667 -0.000 1.303) 4.845 4.373 ( -7.719 0.000 -1.452) 7.855 4.399 ( -2.722 0.000 -2.012) 3.385 4.695 ( 2.036 0.000 3.895) 4.395 4.778 ( 1.452 -0.000 -3.905) 4.166 4.812 ( -8.018 0.000 9.853) 12.703 4.968 ( 4.966 0.000 -1.104) 5.087 5.071 ( 2.649 0.000 -3.170) 4.132 5.109 ( 6.808 0.000 10.001) 12.098 5.163 ( 2.400 0.000 -4.862) 5.422 5.293 ( -1.770 0.000 -7.144) 7.360 5.537 ( 1.984 -0.000 13.781) 13.923 5.572 ( 1.494 0.000 1.065) 1.835 5.648 ( 3.268 -0.000 -4.508) 5.568 5.751 ( 4.001 0.000 -5.203) 6.563 5.806 ( 4.234 0.000 -0.217) 4.239 5.861 ( 5.709 0.000 -5.717) 8.079 6.117 ( -11.287 0.000 5.351) 12.491 6.219 ( -6.628 0.000 -2.788) 7.190 6.325 ( -3.966 0.000 8.768) 9.623 6.472 ( -1.444 0.000 -4.050) 4.299 6.681 ( -0.775 0.000 7.177) 7.218 6.802 ( -1.087 0.000 -2.813) 3.016 6.931 ( 3.030 -0.000 3.736) 4.810 6.976 ( 0.506 0.000 -1.308) 1.402 7.101 ( 0.978 0.000 -0.671) 1.186 7.117 ( 0.874 0.000 -2.681) 2.820 7.338 ( 1.026 -0.000 2.692) 2.881 7.393 ( 4.847 0.000 -1.744) 5.151 7.593 ( 5.174 0.000 2.139) 5.598 7.667 ( -5.916 0.000 -3.069) 6.664 7.785 ( 7.309 -0.000 -0.876) 7.361 7.805 ( 2.840 0.000 -0.050) 2.840 7.896 ( 1.983 0.000 4.341) 4.773 7.995 ( -1.278 0.000 -5.196) 5.351 8.199 ( -1.368 0.000 -3.787) 4.027 8.212 ( 12.610 -0.000 -5.031) 13.577 8.542 ( 2.913 0.000 1.355) 3.212 8.579 ( 0.067 -0.000 -3.022) 3.022 8.951 ( 7.917 0.000 -1.183) 8.004 8.973 ( 10.888 0.000 -1.926) 11.057 9.209 ( -6.932 0.000 4.514) 8.272 9.307 ( -6.299 0.000 -4.225) 7.585 9.783 ( 1.208 0.000 1.278) 1.759 9.834 ( -1.367 0.000 -3.271) 3.545 10.026 ( -4.333 0.000 8.844) 9.849 10.214 ( -8.799 0.000 -9.168) 12.708 10.357 ( 0.026 0.000 9.227) 9.227 10.526 ( -1.387 0.000 -6.670) 6.812 10.652 ( 10.456 0.000 1.457) 10.557 10.676 ( 8.274 0.000 -1.172) 8.357 11.071 ( -2.880 0.000 5.799) 6.475 11.175 ( -11.302 0.000 -2.079) 11.492 11.453 ( -3.298 0.000 2.553) 4.170 11.525 ( -10.258 -0.000 -5.174) 11.489 11.784 ( -7.356 0.000 8.721) 11.409 11.957 ( -4.441 0.000 -7.709) 8.897 12.054 ( -10.264 0.000 6.208) 11.996 12.226 ( -1.658 0.000 -10.659) 10.788 12.865 ( 4.065 0.000 11.227) 11.940 13.048 ( 7.358 0.000 -7.131) 10.247 13.462 ( -6.131 0.000 29.691) 30.318 14.050 ( -2.551 0.000 -26.404) 26.527 14.228 ( 23.247 0.000 4.734) 23.724 14.351 ( 10.188 0.000 -8.320) 13.154 15.499 ( -7.490 0.000 0.706) 7.523 15.651 ( -5.177 0.000 -13.189) 14.169 16.265 ( 4.504 0.000 16.569) 17.170 16.531 ( -3.874 0.000 -8.912) 9.717 16.690 ( -5.103 0.000 6.376) 8.167 16.812 ( -3.665 0.000 -5.578) 6.674 16.974 ( -7.123 0.000 10.955) 13.067 17.220 ( -2.139 0.000 -12.386) 12.570 17.632 ( 3.620 0.000 6.587) 7.517 17.710 ( 5.160 0.000 -1.066) 5.269 25.320 ( -0.703 -0.000 1.354) 1.526 25.329 ( -0.194 0.000 0.481) 0.519 25.354 ( 0.047 0.000 0.331) 0.334 25.378 ( 0.168 0.000 -1.471) 1.481 25.546 ( 3.733 0.000 0.760) 3.810 25.570 ( 3.006 0.000 -1.094) 3.199 25.865 ( 2.731 0.000 1.941) 3.350 25.895 ( 3.111 0.000 -0.969) 3.258 26.362 ( -3.671 0.000 8.529) 9.285 26.398 ( -0.971 0.000 2.391) 2.580 26.446 ( 2.452 0.000 -0.605) 2.526 26.493 ( -1.789 0.000 -2.173) 2.815 26.669 ( -1.897 0.000 2.539) 3.169 26.730 ( -1.038 0.000 -3.218) 3.381 26.835 ( -2.049 0.000 3.376) 3.949 26.948 ( 1.881 0.000 -7.039) 7.286 29.417 ( 4.328 0.000 10.576) 11.427 29.666 ( 6.368 0.000 -12.752) 14.254 30.068 ( -5.030 0.000 12.763) 13.718 30.344 ( -6.799 0.000 -13.709) 15.302 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -2.945 0.000 1.838) 3.472 2.437 ( -2.445 0.000 -1.296) 2.767 2.875 ( 10.252 -0.000 2.996) 10.681 2.893 ( 13.817 0.000 0.182) 13.818 3.167 ( -4.693 -0.001 -3.064) 5.605 3.168 ( -8.623 0.001 -2.705) 9.037 3.479 ( 2.759 0.000 3.454) 4.421 3.533 ( -0.264 0.000 -1.223) 1.251 3.661 ( -9.986 0.000 1.579) 10.110 3.701 ( -12.222 0.000 -2.464) 12.468 4.023 ( 10.988 -0.000 4.384) 11.830 4.053 ( 7.566 0.000 1.452) 7.704 4.237 ( -0.472 0.000 1.725) 1.788 4.252 ( -7.342 0.000 0.396) 7.353 4.316 ( 6.145 0.000 -0.864) 6.205 4.361 ( 1.857 0.000 -4.555) 4.919 4.613 ( -6.088 0.000 4.103) 7.341 4.721 ( -5.087 -0.000 -5.871) 7.768 4.746 ( -1.140 0.000 11.846) 11.901 4.961 ( -7.959 0.000 6.006) 9.971 4.999 ( 0.850 0.000 -11.371) 11.403 5.052 ( -2.846 0.000 -6.475) 7.073 5.329 ( 5.384 0.000 5.173) 7.467 5.389 ( 5.243 0.000 -1.095) 5.356 5.590 ( 1.472 -0.000 9.171) 9.288 5.655 ( 2.220 0.000 -0.143) 2.225 5.718 ( -0.309 0.000 -0.643) 0.714 5.782 ( 2.843 0.000 -3.861) 4.795 5.874 ( 1.858 0.000 1.425) 2.342 5.928 ( -0.728 -0.000 -3.885) 3.953 6.012 ( 4.139 0.000 10.820) 11.585 6.185 ( -7.888 0.000 8.661) 11.715 6.222 ( 5.540 0.000 -6.421) 8.480 6.376 ( -6.620 0.000 -8.516) 10.787 6.647 ( -1.424 -0.000 7.762) 7.892 6.718 ( -3.918 0.000 1.083) 4.065 7.060 ( 7.249 -0.000 0.572) 7.271 7.065 ( 7.972 0.000 2.255) 8.285 7.143 ( 1.330 0.000 -1.099) 1.725 7.148 ( 0.560 0.000 -0.574) 0.803 7.363 ( 1.126 0.000 2.186) 2.459 7.425 ( -8.806 0.000 5.587) 10.429 7.540 ( 0.823 0.000 -12.709) 12.736 7.574 ( -6.983 0.000 -5.677) 9.000 7.845 ( 4.806 0.000 3.228) 5.789 7.919 ( 2.699 0.000 -3.775) 4.641 7.956 ( -3.721 0.000 -0.476) 3.751 8.032 ( 2.023 -0.000 -7.953) 8.206 8.210 ( 9.085 0.000 5.934) 10.851 8.320 ( 6.140 0.000 -4.644) 7.698 8.676 ( -2.507 0.000 3.104) 3.990 8.767 ( -5.723 0.000 -5.631) 8.029 8.892 ( 6.850 0.000 0.611) 6.877 8.927 ( 0.802 0.000 -1.898) 2.060 9.371 ( 8.686 0.000 11.195) 14.170 9.535 ( 18.251 0.000 1.047) 18.281 9.725 ( -7.266 -0.000 0.702) 7.300 9.750 ( -4.073 0.000 -7.105) 8.190 9.972 ( 5.775 0.000 -1.890) 6.076 9.995 ( -7.416 0.000 -4.195) 8.521 10.338 ( -16.282 0.000 4.485) 16.889 10.371 ( -3.285 0.000 2.827) 4.334 10.691 ( -5.194 0.000 5.774) 7.767 10.836 ( 5.931 0.000 -6.817) 9.036 11.024 ( -2.917 -0.000 -1.534) 3.296 11.028 ( -5.330 0.000 -2.342) 5.822 11.286 ( -0.977 0.000 4.555) 4.658 11.376 ( 0.596 0.000 -3.918) 3.963 11.747 ( 0.599 0.000 8.300) 8.321 11.873 ( -5.458 -0.000 11.738) 12.945 11.881 ( -2.858 0.000 -4.476) 5.311 12.125 ( -4.477 0.000 -12.433) 13.214 13.005 ( 5.900 0.000 11.417) 12.851 13.259 ( 7.920 0.000 -13.558) 15.702 13.360 ( -3.374 0.000 31.749) 31.928 14.000 ( -1.829 0.000 -29.751) 29.808 14.501 ( 2.973 0.000 0.651) 3.044 14.624 ( 10.662 0.000 -10.315) 14.835 15.343 ( -4.956 0.000 8.457) 9.802 15.563 ( -2.205 0.000 -12.028) 12.228 16.360 ( 4.095 0.000 7.477) 8.525 16.465 ( -1.278 0.000 -2.696) 2.983 16.584 ( -4.634 0.000 5.648) 7.306 16.687 ( -5.387 0.000 -4.373) 6.938 16.836 ( -3.743 0.000 19.265) 19.625 17.226 ( 1.194 0.000 -17.750) 17.790 17.691 ( 1.468 0.000 7.280) 7.427 17.791 ( 1.945 0.000 -2.510) 3.175 25.311 ( -0.133 0.000 2.370) 2.373 25.328 ( 0.041 0.000 0.913) 0.914 25.348 ( -0.299 0.000 -0.440) 0.532 25.375 ( -0.213 0.000 -2.932) 2.940 25.639 ( 3.425 0.000 0.399) 3.448 25.642 ( 2.566 0.000 0.229) 2.577 25.905 ( 0.493 0.000 4.173) 4.202 25.948 ( 0.938 0.000 -0.042) 0.939 26.301 ( -1.091 0.000 6.718) 6.806 26.384 ( 0.483 0.000 -1.195) 1.289 26.463 ( -1.399 0.000 -1.948) 2.398 26.469 ( -0.816 -0.000 -2.687) 2.808 26.670 ( 2.937 0.000 5.109) 5.893 26.709 ( -0.548 0.000 -1.473) 1.572 26.764 ( -4.223 0.000 5.817) 7.188 26.979 ( 0.711 0.000 -11.615) 11.637 29.527 ( 4.370 0.000 14.850) 15.480 29.844 ( 8.555 0.000 -15.055) 17.315 29.943 ( -4.776 0.000 9.553) 10.681 30.157 ( -8.812 0.000 -10.996) 14.091 =================== 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 3/27000 10.0 1236.428 1661.315 2728.923 0.000 0.000 0.000 3/27000 20.0 317.950 273.762 293.048 0.000 0.000 0.000 3/27000 30.0 106.894 77.733 85.357 0.000 0.000 0.000 3/27000 40.0 50.596 34.433 38.960 0.000 0.000 0.000 3/27000 50.0 29.407 19.452 22.422 0.000 0.000 0.000 3/27000 60.0 19.572 12.777 14.898 0.000 0.000 0.000 3/27000 70.0 14.275 9.259 10.879 0.000 0.000 0.000 3/27000 80.0 11.098 7.174 8.477 0.000 0.000 0.000 3/27000 90.0 9.035 5.829 6.920 0.000 0.000 0.000 3/27000 100.0 7.610 4.904 5.846 0.000 0.000 0.000 3/27000 110.0 6.578 4.237 5.070 0.000 0.000 0.000 3/27000 120.0 5.800 3.737 4.487 0.000 0.000 0.000 3/27000 130.0 5.195 3.349 4.036 0.000 0.000 0.000 3/27000 140.0 4.712 3.040 3.677 0.000 0.000 0.000 3/27000 150.0 4.317 2.789 3.384 0.000 0.000 0.000 3/27000 160.0 3.988 2.581 3.142 0.000 0.000 0.000 3/27000 170.0 3.710 2.405 2.937 0.000 0.000 0.000 3/27000 180.0 3.471 2.255 2.761 0.000 0.000 0.000 3/27000 190.0 3.263 2.125 2.609 0.000 0.000 0.000 3/27000 200.0 3.081 2.011 2.475 0.000 0.000 0.000 3/27000 210.0 2.919 1.910 2.357 0.000 0.000 0.000 3/27000 220.0 2.775 1.820 2.250 0.000 0.000 0.000 3/27000 230.0 2.645 1.739 2.155 0.000 0.000 0.000 3/27000 240.0 2.528 1.666 2.068 0.000 0.000 0.000 3/27000 250.0 2.421 1.600 1.989 0.000 0.000 0.000 3/27000 260.0 2.323 1.539 1.916 0.000 0.000 0.000 3/27000 270.0 2.234 1.483 1.849 0.000 0.000 0.000 3/27000 280.0 2.151 1.432 1.787 0.000 0.000 0.000 3/27000 290.0 2.075 1.384 1.730 0.000 0.000 0.000 3/27000 300.0 2.004 1.340 1.676 0.000 0.000 0.000 3/27000 310.0 1.938 1.299 1.626 0.000 0.000 0.000 3/27000 320.0 1.876 1.260 1.579 0.000 0.000 0.000 3/27000 330.0 1.818 1.224 1.535 0.000 0.000 0.000 3/27000 340.0 1.764 1.190 1.493 0.000 0.000 0.000 3/27000 350.0 1.713 1.158 1.454 0.000 0.000 0.000 3/27000 360.0 1.665 1.128 1.417 0.000 0.000 0.000 3/27000 370.0 1.620 1.099 1.382 0.000 0.000 0.000 3/27000 380.0 1.577 1.072 1.348 0.000 0.000 0.000 3/27000 390.0 1.536 1.046 1.317 0.000 0.000 0.000 3/27000 400.0 1.498 1.022 1.286 0.000 0.000 0.000 3/27000 410.0 1.461 0.998 1.258 0.000 0.000 0.000 3/27000 420.0 1.427 0.976 1.230 0.000 0.000 0.000 3/27000 430.0 1.394 0.955 1.204 0.000 0.000 0.000 3/27000 440.0 1.362 0.935 1.179 0.000 0.000 0.000 3/27000 450.0 1.332 0.915 1.154 0.000 0.000 0.000 3/27000 460.0 1.303 0.897 1.131 0.000 0.000 0.000 3/27000 470.0 1.275 0.879 1.109 0.000 0.000 0.000 3/27000 480.0 1.249 0.861 1.088 0.000 0.000 0.000 3/27000 490.0 1.223 0.845 1.067 0.000 0.000 0.000 3/27000 500.0 1.199 0.829 1.047 0.000 0.000 0.000 3/27000 510.0 1.176 0.814 1.028 0.000 0.000 0.000 3/27000 520.0 1.153 0.799 1.010 0.000 0.000 0.000 3/27000 530.0 1.132 0.785 0.992 0.000 0.000 0.000 3/27000 540.0 1.111 0.771 0.975 0.000 0.000 0.000 3/27000 550.0 1.091 0.758 0.959 0.000 0.000 0.000 3/27000 560.0 1.071 0.745 0.943 0.000 0.000 0.000 3/27000 570.0 1.053 0.733 0.927 0.000 0.000 0.000 3/27000 580.0 1.035 0.721 0.912 0.000 0.000 0.000 3/27000 590.0 1.017 0.710 0.898 0.000 0.000 0.000 3/27000 600.0 1.000 0.698 0.884 0.000 0.000 0.000 3/27000 610.0 0.984 0.688 0.870 0.000 0.000 0.000 3/27000 620.0 0.968 0.677 0.857 0.000 0.000 0.000 3/27000 630.0 0.953 0.667 0.844 0.000 0.000 0.000 3/27000 640.0 0.938 0.657 0.832 0.000 0.000 0.000 3/27000 650.0 0.924 0.647 0.820 0.000 0.000 0.000 3/27000 660.0 0.910 0.638 0.808 0.000 0.000 0.000 3/27000 670.0 0.897 0.629 0.796 0.000 0.000 0.000 3/27000 680.0 0.884 0.620 0.785 0.000 0.000 0.000 3/27000 690.0 0.871 0.612 0.775 0.000 0.000 0.000 3/27000 700.0 0.859 0.603 0.764 0.000 0.000 0.000 3/27000 710.0 0.847 0.595 0.754 0.000 0.000 0.000 3/27000 720.0 0.835 0.587 0.744 0.000 0.000 0.000 3/27000 730.0 0.823 0.580 0.734 0.000 0.000 0.000 3/27000 740.0 0.812 0.572 0.725 0.000 0.000 0.000 3/27000 750.0 0.802 0.565 0.716 0.000 0.000 0.000 3/27000 760.0 0.791 0.558 0.707 0.000 0.000 0.000 3/27000 770.0 0.781 0.551 0.698 0.000 0.000 0.000 3/27000 780.0 0.771 0.544 0.689 0.000 0.000 0.000 3/27000 790.0 0.761 0.537 0.681 0.000 0.000 0.000 3/27000 800.0 0.752 0.531 0.673 0.000 0.000 0.000 3/27000 810.0 0.743 0.525 0.665 0.000 0.000 0.000 3/27000 820.0 0.734 0.519 0.657 0.000 0.000 0.000 3/27000 830.0 0.725 0.513 0.650 0.000 0.000 0.000 3/27000 840.0 0.716 0.507 0.642 0.000 0.000 0.000 3/27000 850.0 0.708 0.501 0.635 0.000 0.000 0.000 3/27000 860.0 0.700 0.495 0.628 0.000 0.000 0.000 3/27000 870.0 0.692 0.490 0.621 0.000 0.000 0.000 3/27000 880.0 0.684 0.484 0.614 0.000 0.000 0.000 3/27000 890.0 0.676 0.479 0.607 0.000 0.000 0.000 3/27000 900.0 0.669 0.474 0.601 0.000 0.000 0.000 3/27000 910.0 0.662 0.469 0.595 0.000 0.000 0.000 3/27000 920.0 0.654 0.464 0.588 0.000 0.000 0.000 3/27000 930.0 0.647 0.459 0.582 0.000 0.000 0.000 3/27000 940.0 0.641 0.455 0.576 0.000 0.000 0.000 3/27000 950.0 0.634 0.450 0.570 0.000 0.000 0.000 3/27000 960.0 0.627 0.445 0.565 0.000 0.000 0.000 3/27000 970.0 0.621 0.441 0.559 0.000 0.000 0.000 3/27000 980.0 0.615 0.437 0.553 0.000 0.000 0.000 3/27000 990.0 0.608 0.432 0.548 0.000 0.000 0.000 3/27000 1000.0 0.602 0.428 0.543 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m5105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|