----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:16:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992223630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): *1 K 0.00728780639213 0.75000000000000 0.70585587595265 39.098 2 K 0.50728780639213 0.75000000000000 0.79414412404735 39.098 *3 K 0.96156324691335 0.75000000000000 0.03978907931960 39.098 4 K 0.46156324691335 0.75000000000000 0.46021092068040 39.098 *5 K 0.47260492945143 0.25000000000000 0.87048364039059 39.098 6 K 0.49271219360787 0.25000000000000 0.20585587595265 39.098 7 K 0.97260492945143 0.25000000000000 0.62951635960941 39.098 8 K 0.02739507054857 0.75000000000000 0.37048364039059 39.098 9 K 0.52739507054857 0.75000000000000 0.12951635960941 39.098 10 K 0.53843675308665 0.25000000000000 0.53978907931960 39.098 11 K 0.03843675308665 0.25000000000000 0.96021092068040 39.098 12 K 0.99271219360787 0.25000000000000 0.29414412404735 39.098 *13 Li 0.25122720732299 0.25000000000000 0.09013274432642 6.941 *14 Li 0.25680800532604 0.50599942102856 0.83475858292132 6.941 15 Li 0.75122720732299 0.25000000000000 0.40986725567358 6.941 16 Li 0.74319199467396 0.49400057897144 0.16524141707868 6.941 17 Li 0.75680800532604 0.99400057897144 0.66524141707868 6.941 18 Li 0.75680800532604 0.50599942102856 0.66524141707868 6.941 19 Li 0.24319199467396 0.49400057897144 0.33475858292132 6.941 20 Li 0.24319199467396 0.00599942102856 0.33475858292132 6.941 21 Li 0.74877279267701 0.75000000000000 0.90986725567358 6.941 22 Li 0.25680800532604 0.99400057897144 0.83475858292132 6.941 23 Li 0.24877279267701 0.75000000000000 0.59013274432642 6.941 24 Li 0.74319199467396 0.00599942102856 0.16524141707868 6.941 *25 Te 0.75608228280620 0.25000000000000 0.91397687858841 127.600 26 Te 0.24391771719380 0.75000000000000 0.08602312141159 127.600 27 Te 0.25608228280620 0.25000000000000 0.58602312141159 127.600 28 Te 0.74391771719380 0.75000000000000 0.41397687858841 127.600 *29 O 0.14675260317961 0.51089579459784 0.16070127562210 15.999 30 O 0.14675260317961 0.98910420540216 0.16070127562210 15.999 *31 O 0.15825672298683 0.48759075966257 0.51364876158361 15.999 *32 O 0.67669727762387 0.25000000000000 0.73830314941729 15.999 *33 O 0.83558749933791 0.25000000000000 0.09215635422246 15.999 34 O 0.17669727762387 0.25000000000000 0.76169685058271 15.999 35 O 0.34174327701317 0.98759075966257 0.01364876158361 15.999 36 O 0.66441250066209 0.75000000000000 0.59215635422246 15.999 37 O 0.84174327701317 0.51240924033743 0.48635123841639 15.999 38 O 0.84174327701317 0.98759075966257 0.48635123841639 15.999 39 O 0.82330272237613 0.75000000000000 0.23830314941729 15.999 40 O 0.65825672298683 0.48759075966257 0.98635123841639 15.999 41 O 0.64675260317961 0.98910420540216 0.33929872437790 15.999 42 O 0.34174327701317 0.51240924033743 0.01364876158361 15.999 43 O 0.35324739682039 0.01089579459784 0.66070127562210 15.999 44 O 0.33558749933791 0.25000000000000 0.40784364577754 15.999 45 O 0.35324739682039 0.48910420540216 0.66070127562210 15.999 46 O 0.32330272237613 0.75000000000000 0.26169685058272 15.999 47 O 0.85324739682039 0.48910420540216 0.83929872437790 15.999 48 O 0.16441250066209 0.75000000000000 0.90784364577754 15.999 49 O 0.85324739682039 0.01089579459784 0.83929872437790 15.999 50 O 0.15825672298683 0.01240924033743 0.51364876158361 15.999 51 O 0.65825672298683 0.01240924033743 0.98635123841639 15.999 52 O 0.64675260317961 0.51089579459784 0.33929872437790 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992223630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): *1 K 0.00728780639213 0.75000000000000 0.70585587595265 39.098 > 1 2 K 0.50728780639213 0.75000000000000 0.79414412404735 39.098 > 2 *3 K 0.96156324691335 0.75000000000000 0.03978907931960 39.098 > 3 4 K 0.46156324691335 0.75000000000000 0.46021092068040 39.098 > 4 *5 K 0.47260492945143 0.25000000000000 0.87048364039059 39.098 > 5 6 K 0.49271219360787 0.25000000000000 0.20585587595265 39.098 > 6 7 K 0.97260492945143 0.25000000000000 0.62951635960941 39.098 > 7 8 K 0.02739507054857 0.75000000000000 0.37048364039059 39.098 > 8 9 K 0.52739507054857 0.75000000000000 0.12951635960941 39.098 > 9 10 K 0.53843675308665 0.25000000000000 0.53978907931960 39.098 > 10 11 K 0.03843675308665 0.25000000000000 0.96021092068040 39.098 > 11 12 K 0.99271219360787 0.25000000000000 0.29414412404735 39.098 > 12 *13 Li 0.25122720732299 0.25000000000000 0.09013274432642 6.941 > 13 *14 Li 0.25680800532604 0.50599942102856 0.83475858292132 6.941 > 14 15 Li 0.75122720732299 0.25000000000000 0.40986725567358 6.941 > 15 16 Li 0.74319199467396 0.49400057897144 0.16524141707868 6.941 > 16 17 Li 0.75680800532604 0.99400057897144 0.66524141707868 6.941 > 17 18 Li 0.75680800532604 0.50599942102856 0.66524141707868 6.941 > 18 19 Li 0.24319199467396 0.49400057897144 0.33475858292132 6.941 > 19 20 Li 0.24319199467396 0.00599942102856 0.33475858292132 6.941 > 20 21 Li 0.74877279267701 0.75000000000000 0.90986725567358 6.941 > 21 22 Li 0.25680800532604 0.99400057897144 0.83475858292132 6.941 > 22 23 Li 0.24877279267701 0.75000000000000 0.59013274432642 6.941 > 23 24 Li 0.74319199467396 0.00599942102856 0.16524141707868 6.941 > 24 *25 Te 0.75608228280620 0.25000000000000 0.91397687858841 127.600 > 25 26 Te 0.24391771719380 0.75000000000000 0.08602312141159 127.600 > 26 27 Te 0.25608228280620 0.25000000000000 0.58602312141159 127.600 > 27 28 Te 0.74391771719380 0.75000000000000 0.41397687858841 127.600 > 28 *29 O 0.14675260317961 0.51089579459784 0.16070127562210 15.999 > 29 30 O 0.14675260317961 0.98910420540216 0.16070127562210 15.999 > 30 *31 O 0.15825672298683 0.48759075966257 0.51364876158361 15.999 > 31 *32 O 0.67669727762387 0.25000000000000 0.73830314941729 15.999 > 32 *33 O 0.83558749933791 0.25000000000000 0.09215635422246 15.999 > 33 34 O 0.17669727762387 0.25000000000000 0.76169685058271 15.999 > 34 35 O 0.34174327701317 0.98759075966257 0.01364876158361 15.999 > 35 36 O 0.66441250066209 0.75000000000000 0.59215635422246 15.999 > 36 37 O 0.84174327701317 0.51240924033743 0.48635123841639 15.999 > 37 38 O 0.84174327701317 0.98759075966257 0.48635123841639 15.999 > 38 39 O 0.82330272237613 0.75000000000000 0.23830314941729 15.999 > 39 40 O 0.65825672298683 0.48759075966257 0.98635123841639 15.999 > 40 41 O 0.64675260317961 0.98910420540216 0.33929872437790 15.999 > 41 42 O 0.34174327701317 0.51240924033743 0.01364876158361 15.999 > 42 43 O 0.35324739682039 0.01089579459784 0.66070127562210 15.999 > 43 44 O 0.33558749933791 0.25000000000000 0.40784364577754 15.999 > 44 45 O 0.35324739682039 0.48910420540216 0.66070127562210 15.999 > 45 46 O 0.32330272237613 0.75000000000000 0.26169685058272 15.999 > 46 47 O 0.85324739682039 0.48910420540216 0.83929872437790 15.999 > 47 48 O 0.16441250066209 0.75000000000000 0.90784364577754 15.999 > 48 49 O 0.85324739682039 0.01089579459784 0.83929872437790 15.999 > 49 50 O 0.15825672298683 0.01240924033743 0.51364876158361 15.999 > 50 51 O 0.65825672298683 0.01240924033743 0.98635123841639 15.999 > 51 52 O 0.64675260317961 0.51089579459784 0.33929872437790 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.984447260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): *1 K 0.00728780639213 0.37500000000000 0.70585587595265 39.098 > 1 2 K 0.00728780639213 0.87500000000000 0.70585587595265 39.098 > 1 3 K 0.50728780639213 0.37500000000000 0.79414412404735 39.098 > 2 4 K 0.50728780639213 0.87500000000000 0.79414412404735 39.098 > 2 *5 K 0.96156324691335 0.37500000000000 0.03978907931960 39.098 > 3 6 K 0.96156324691335 0.87500000000000 0.03978907931960 39.098 > 3 7 K 0.46156324691335 0.37500000000000 0.46021092068040 39.098 > 4 8 K 0.46156324691335 0.87500000000000 0.46021092068040 39.098 > 4 *9 K 0.47260492945143 0.12500000000000 0.87048364039059 39.098 > 5 10 K 0.47260492945143 0.62500000000000 0.87048364039059 39.098 > 5 11 K 0.49271219360787 0.12500000000000 0.20585587595265 39.098 > 6 12 K 0.49271219360787 0.62500000000000 0.20585587595265 39.098 > 6 13 K 0.97260492945143 0.12500000000000 0.62951635960941 39.098 > 7 14 K 0.97260492945143 0.62500000000000 0.62951635960941 39.098 > 7 15 K 0.02739507054857 0.37500000000000 0.37048364039059 39.098 > 8 16 K 0.02739507054857 0.87500000000000 0.37048364039059 39.098 > 8 17 K 0.52739507054857 0.37500000000000 0.12951635960941 39.098 > 9 18 K 0.52739507054857 0.87500000000000 0.12951635960941 39.098 > 9 19 K 0.53843675308665 0.12500000000000 0.53978907931960 39.098 > 10 20 K 0.53843675308665 0.62500000000000 0.53978907931960 39.098 > 10 21 K 0.03843675308665 0.12500000000000 0.96021092068040 39.098 > 11 22 K 0.03843675308665 0.62500000000000 0.96021092068040 39.098 > 11 23 K 0.99271219360787 0.12500000000000 0.29414412404735 39.098 > 12 24 K 0.99271219360787 0.62500000000000 0.29414412404735 39.098 > 12 *25 Li 0.25122720732299 0.12500000000000 0.09013274432642 6.941 > 13 26 Li 0.25122720732299 0.62500000000000 0.09013274432642 6.941 > 13 *27 Li 0.25680800532604 0.25299971051428 0.83475858292132 6.941 > 14 28 Li 0.25680800532604 0.75299971051428 0.83475858292132 6.941 > 14 29 Li 0.75122720732299 0.12500000000000 0.40986725567358 6.941 > 15 30 Li 0.75122720732299 0.62500000000000 0.40986725567358 6.941 > 15 31 Li 0.74319199467396 0.24700028948572 0.16524141707868 6.941 > 16 32 Li 0.74319199467396 0.74700028948572 0.16524141707868 6.941 > 16 33 Li 0.75680800532604 0.49700028948572 0.66524141707868 6.941 > 17 34 Li 0.75680800532604 0.99700028948572 0.66524141707868 6.941 > 17 35 Li 0.75680800532604 0.25299971051428 0.66524141707868 6.941 > 18 36 Li 0.75680800532604 0.75299971051428 0.66524141707868 6.941 > 18 37 Li 0.24319199467396 0.24700028948572 0.33475858292132 6.941 > 19 38 Li 0.24319199467396 0.74700028948572 0.33475858292132 6.941 > 19 39 Li 0.24319199467396 0.00299971051428 0.33475858292132 6.941 > 20 40 Li 0.24319199467396 0.50299971051428 0.33475858292132 6.941 > 20 41 Li 0.74877279267701 0.37500000000000 0.90986725567358 6.941 > 21 42 Li 0.74877279267701 0.87500000000000 0.90986725567358 6.941 > 21 43 Li 0.25680800532604 0.49700028948572 0.83475858292132 6.941 > 22 44 Li 0.25680800532604 0.99700028948572 0.83475858292132 6.941 > 22 45 Li 0.24877279267701 0.37500000000000 0.59013274432642 6.941 > 23 46 Li 0.24877279267701 0.87500000000000 0.59013274432642 6.941 > 23 47 Li 0.74319199467396 0.00299971051428 0.16524141707868 6.941 > 24 48 Li 0.74319199467396 0.50299971051428 0.16524141707868 6.941 > 24 *49 Te 0.75608228280620 0.12500000000000 0.91397687858841 127.600 > 25 50 Te 0.75608228280620 0.62500000000000 0.91397687858841 127.600 > 25 51 Te 0.24391771719380 0.37500000000000 0.08602312141159 127.600 > 26 52 Te 0.24391771719380 0.87500000000000 0.08602312141159 127.600 > 26 53 Te 0.25608228280620 0.12500000000000 0.58602312141159 127.600 > 27 54 Te 0.25608228280620 0.62500000000000 0.58602312141159 127.600 > 27 55 Te 0.74391771719380 0.37500000000000 0.41397687858841 127.600 > 28 56 Te 0.74391771719380 0.87500000000000 0.41397687858841 127.600 > 28 *57 O 0.14675260317961 0.25544789729892 0.16070127562210 15.999 > 29 58 O 0.14675260317961 0.75544789729892 0.16070127562210 15.999 > 29 59 O 0.14675260317961 0.49455210270108 0.16070127562210 15.999 > 30 60 O 0.14675260317961 0.99455210270108 0.16070127562210 15.999 > 30 *61 O 0.15825672298683 0.24379537983129 0.51364876158361 15.999 > 31 62 O 0.15825672298683 0.74379537983129 0.51364876158361 15.999 > 31 *63 O 0.67669727762387 0.12500000000000 0.73830314941729 15.999 > 32 64 O 0.67669727762387 0.62500000000000 0.73830314941729 15.999 > 32 *65 O 0.83558749933791 0.12500000000000 0.09215635422246 15.999 > 33 66 O 0.83558749933791 0.62500000000000 0.09215635422246 15.999 > 33 67 O 0.17669727762387 0.12500000000000 0.76169685058271 15.999 > 34 68 O 0.17669727762387 0.62500000000000 0.76169685058271 15.999 > 34 69 O 0.34174327701317 0.49379537983129 0.01364876158361 15.999 > 35 70 O 0.34174327701317 0.99379537983129 0.01364876158361 15.999 > 35 71 O 0.66441250066209 0.37500000000000 0.59215635422246 15.999 > 36 72 O 0.66441250066209 0.87500000000000 0.59215635422246 15.999 > 36 73 O 0.84174327701317 0.25620462016871 0.48635123841639 15.999 > 37 74 O 0.84174327701317 0.75620462016871 0.48635123841639 15.999 > 37 75 O 0.84174327701317 0.49379537983129 0.48635123841639 15.999 > 38 76 O 0.84174327701317 0.99379537983129 0.48635123841639 15.999 > 38 77 O 0.82330272237613 0.37500000000000 0.23830314941729 15.999 > 39 78 O 0.82330272237613 0.87500000000000 0.23830314941729 15.999 > 39 79 O 0.65825672298683 0.24379537983129 0.98635123841639 15.999 > 40 80 O 0.65825672298683 0.74379537983129 0.98635123841639 15.999 > 40 81 O 0.64675260317961 0.49455210270108 0.33929872437790 15.999 > 41 82 O 0.64675260317961 0.99455210270108 0.33929872437790 15.999 > 41 83 O 0.34174327701317 0.25620462016871 0.01364876158361 15.999 > 42 84 O 0.34174327701317 0.75620462016871 0.01364876158361 15.999 > 42 85 O 0.35324739682039 0.00544789729892 0.66070127562210 15.999 > 43 86 O 0.35324739682039 0.50544789729892 0.66070127562210 15.999 > 43 87 O 0.33558749933791 0.12500000000000 0.40784364577754 15.999 > 44 88 O 0.33558749933791 0.62500000000000 0.40784364577754 15.999 > 44 89 O 0.35324739682039 0.24455210270108 0.66070127562210 15.999 > 45 90 O 0.35324739682039 0.74455210270108 0.66070127562210 15.999 > 45 91 O 0.32330272237613 0.37500000000000 0.26169685058272 15.999 > 46 92 O 0.32330272237613 0.87500000000000 0.26169685058272 15.999 > 46 93 O 0.85324739682039 0.24455210270108 0.83929872437790 15.999 > 47 94 O 0.85324739682039 0.74455210270108 0.83929872437790 15.999 > 47 95 O 0.16441250066209 0.37500000000000 0.90784364577754 15.999 > 48 96 O 0.16441250066209 0.87500000000000 0.90784364577754 15.999 > 48 97 O 0.85324739682039 0.00544789729892 0.83929872437790 15.999 > 49 98 O 0.85324739682039 0.50544789729892 0.83929872437790 15.999 > 49 99 O 0.15825672298683 0.00620462016871 0.51364876158361 15.999 > 50 100 O 0.15825672298683 0.50620462016871 0.51364876158361 15.999 > 50 101 O 0.65825672298683 0.00620462016871 0.98635123841639 15.999 > 51 102 O 0.65825672298683 0.50620462016871 0.98635123841639 15.999 > 51 103 O 0.64675260317961 0.25544789729892 0.33929872437790 15.999 > 52 104 O 0.64675260317961 0.75544789729892 0.33929872437790 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0650124 0.0000000 0.0000000 0.0000000 3.0906158 0.0000000 0.0000000 0.0000000 3.1154315 -------------------------- Born effective charges -------------------------- 1 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 2 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 3 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 4 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 5 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 6 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 7 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 8 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 9 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 10 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 11 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 12 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 13 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 14 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 15 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 16 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 17 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 18 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 19 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 20 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 21 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 22 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 23 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 24 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 25 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 26 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 27 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 28 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 29 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 30 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 31 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 32 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 33 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 34 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 35 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 36 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 37 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 38 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 39 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 40 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 41 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 42 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 43 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 44 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 45 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 46 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 47 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 48 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 49 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 50 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 51 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 52 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3208 Number of blocks in projector: 3208 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: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 774 / 774 (1) 254 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 72 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 72 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 426 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 426 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 426 Use standard eigh solver. Tree of FC basis block matrices: - (3208, 3146), data: False |-- (426, 416), data: True |-- (426, 416), data: True |-- (426, 416), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 12), data: (578, 18) @ (18, 12) |-- (78, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 12), data: (578, 18) @ (18, 12) |-- (78, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (774, 754), data: False |-- (774, 20), data: (774, 40) @ (40, 20) |-- (274, 254), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.878 Solver_block: 200 / 800 - Time: 0.724 Solver_block: 300 / 800 - Time: 0.722 Solver_block: 400 / 800 - Time: 0.726 Solver_block: 500 / 800 - Time: 0.723 Solver_block: 600 / 800 - Time: 0.722 Solver_block: 700 / 800 - Time: 0.721 Solver_block: 800 / 800 - Time: 0.737 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.083 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3208 Number of blocks in projector: 3208 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: 774 Use submatrix version of eigh solver. (1) Block: 500 / 774 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 774 / 774 (1) 254 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 72 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 72 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 426 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 426 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 426 Use standard eigh solver. Tree of FC basis block matrices: - (3208, 3146), data: False |-- (426, 416), data: True |-- (426, 416), data: True |-- (426, 416), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 12), data: (578, 18) @ (18, 12) |-- (78, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 12), data: (578, 18) @ (18, 12) |-- (78, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (774, 754), data: False |-- (774, 20), data: (774, 40) @ (40, 20) |-- (274, 254), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:17:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:17:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992223630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): 1 K 0.00728780639213 0.75000000000000 0.70585587595265 39.098 2 K 0.50728780639213 0.75000000000000 0.79414412404735 39.098 3 K 0.96156324691335 0.75000000000000 0.03978907931960 39.098 4 K 0.46156324691335 0.75000000000000 0.46021092068040 39.098 5 K 0.47260492945143 0.25000000000000 0.87048364039059 39.098 6 K 0.49271219360787 0.25000000000000 0.20585587595265 39.098 7 K 0.97260492945143 0.25000000000000 0.62951635960941 39.098 8 K 0.02739507054857 0.75000000000000 0.37048364039059 39.098 9 K 0.52739507054857 0.75000000000000 0.12951635960941 39.098 10 K 0.53843675308665 0.25000000000000 0.53978907931960 39.098 11 K 0.03843675308665 0.25000000000000 0.96021092068040 39.098 12 K 0.99271219360787 0.25000000000000 0.29414412404735 39.098 13 Li 0.25122720732299 0.25000000000000 0.09013274432642 6.941 14 Li 0.25680800532604 0.50599942102856 0.83475858292132 6.941 15 Li 0.75122720732299 0.25000000000000 0.40986725567358 6.941 16 Li 0.74319199467396 0.49400057897144 0.16524141707868 6.941 17 Li 0.75680800532604 0.99400057897144 0.66524141707868 6.941 18 Li 0.75680800532604 0.50599942102856 0.66524141707868 6.941 19 Li 0.24319199467396 0.49400057897144 0.33475858292132 6.941 20 Li 0.24319199467396 0.00599942102856 0.33475858292132 6.941 21 Li 0.74877279267701 0.75000000000000 0.90986725567358 6.941 22 Li 0.25680800532604 0.99400057897144 0.83475858292132 6.941 23 Li 0.24877279267701 0.75000000000000 0.59013274432642 6.941 24 Li 0.74319199467396 0.00599942102856 0.16524141707868 6.941 25 Te 0.75608228280620 0.25000000000000 0.91397687858841 127.600 26 Te 0.24391771719380 0.75000000000000 0.08602312141159 127.600 27 Te 0.25608228280620 0.25000000000000 0.58602312141159 127.600 28 Te 0.74391771719380 0.75000000000000 0.41397687858841 127.600 29 O 0.14675260317961 0.51089579459784 0.16070127562210 15.999 30 O 0.14675260317961 0.98910420540216 0.16070127562210 15.999 31 O 0.15825672298683 0.48759075966257 0.51364876158361 15.999 32 O 0.67669727762387 0.25000000000000 0.73830314941729 15.999 33 O 0.83558749933791 0.25000000000000 0.09215635422246 15.999 34 O 0.17669727762387 0.25000000000000 0.76169685058271 15.999 35 O 0.34174327701317 0.98759075966257 0.01364876158361 15.999 36 O 0.66441250066209 0.75000000000000 0.59215635422246 15.999 37 O 0.84174327701317 0.51240924033743 0.48635123841639 15.999 38 O 0.84174327701317 0.98759075966257 0.48635123841639 15.999 39 O 0.82330272237613 0.75000000000000 0.23830314941729 15.999 40 O 0.65825672298683 0.48759075966257 0.98635123841639 15.999 41 O 0.64675260317961 0.98910420540216 0.33929872437790 15.999 42 O 0.34174327701317 0.51240924033743 0.01364876158361 15.999 43 O 0.35324739682039 0.01089579459784 0.66070127562210 15.999 44 O 0.33558749933791 0.25000000000000 0.40784364577754 15.999 45 O 0.35324739682039 0.48910420540216 0.66070127562210 15.999 46 O 0.32330272237613 0.75000000000000 0.26169685058272 15.999 47 O 0.85324739682039 0.48910420540216 0.83929872437790 15.999 48 O 0.16441250066209 0.75000000000000 0.90784364577754 15.999 49 O 0.85324739682039 0.01089579459784 0.83929872437790 15.999 50 O 0.15825672298683 0.01240924033743 0.51364876158361 15.999 51 O 0.65825672298683 0.01240924033743 0.98635123841639 15.999 52 O 0.64675260317961 0.51089579459784 0.33929872437790 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.984447260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): 1 K 0.00728780639213 0.37500000000000 0.70585587595265 39.098 > 1 2 K 0.00728780639213 0.87500000000000 0.70585587595265 39.098 > 1 3 K 0.50728780639213 0.37500000000000 0.79414412404735 39.098 > 3 4 K 0.50728780639213 0.87500000000000 0.79414412404735 39.098 > 3 5 K 0.96156324691335 0.37500000000000 0.03978907931960 39.098 > 5 6 K 0.96156324691335 0.87500000000000 0.03978907931960 39.098 > 5 7 K 0.46156324691335 0.37500000000000 0.46021092068040 39.098 > 7 8 K 0.46156324691335 0.87500000000000 0.46021092068040 39.098 > 7 9 K 0.47260492945143 0.12500000000000 0.87048364039059 39.098 > 9 10 K 0.47260492945143 0.62500000000000 0.87048364039059 39.098 > 9 11 K 0.49271219360787 0.12500000000000 0.20585587595265 39.098 > 11 12 K 0.49271219360787 0.62500000000000 0.20585587595265 39.098 > 11 13 K 0.97260492945143 0.12500000000000 0.62951635960941 39.098 > 13 14 K 0.97260492945143 0.62500000000000 0.62951635960941 39.098 > 13 15 K 0.02739507054857 0.37500000000000 0.37048364039059 39.098 > 15 16 K 0.02739507054857 0.87500000000000 0.37048364039059 39.098 > 15 17 K 0.52739507054857 0.37500000000000 0.12951635960941 39.098 > 17 18 K 0.52739507054857 0.87500000000000 0.12951635960941 39.098 > 17 19 K 0.53843675308665 0.12500000000000 0.53978907931960 39.098 > 19 20 K 0.53843675308665 0.62500000000000 0.53978907931960 39.098 > 19 21 K 0.03843675308665 0.12500000000000 0.96021092068040 39.098 > 21 22 K 0.03843675308665 0.62500000000000 0.96021092068040 39.098 > 21 23 K 0.99271219360787 0.12500000000000 0.29414412404735 39.098 > 23 24 K 0.99271219360787 0.62500000000000 0.29414412404735 39.098 > 23 25 Li 0.25122720732299 0.12500000000000 0.09013274432642 6.941 > 25 26 Li 0.25122720732299 0.62500000000000 0.09013274432642 6.941 > 25 27 Li 0.25680800532604 0.25299971051428 0.83475858292132 6.941 > 27 28 Li 0.25680800532604 0.75299971051428 0.83475858292132 6.941 > 27 29 Li 0.75122720732299 0.12500000000000 0.40986725567358 6.941 > 29 30 Li 0.75122720732299 0.62500000000000 0.40986725567358 6.941 > 29 31 Li 0.74319199467396 0.24700028948572 0.16524141707868 6.941 > 31 32 Li 0.74319199467396 0.74700028948572 0.16524141707868 6.941 > 31 33 Li 0.75680800532604 0.49700028948572 0.66524141707868 6.941 > 33 34 Li 0.75680800532604 0.99700028948572 0.66524141707868 6.941 > 33 35 Li 0.75680800532604 0.25299971051428 0.66524141707868 6.941 > 35 36 Li 0.75680800532604 0.75299971051428 0.66524141707868 6.941 > 35 37 Li 0.24319199467396 0.24700028948572 0.33475858292132 6.941 > 37 38 Li 0.24319199467396 0.74700028948572 0.33475858292132 6.941 > 37 39 Li 0.24319199467396 0.00299971051428 0.33475858292132 6.941 > 39 40 Li 0.24319199467396 0.50299971051428 0.33475858292132 6.941 > 39 41 Li 0.74877279267701 0.37500000000000 0.90986725567358 6.941 > 41 42 Li 0.74877279267701 0.87500000000000 0.90986725567358 6.941 > 41 43 Li 0.25680800532604 0.49700028948572 0.83475858292132 6.941 > 43 44 Li 0.25680800532604 0.99700028948572 0.83475858292132 6.941 > 43 45 Li 0.24877279267701 0.37500000000000 0.59013274432642 6.941 > 45 46 Li 0.24877279267701 0.87500000000000 0.59013274432642 6.941 > 45 47 Li 0.74319199467396 0.00299971051428 0.16524141707868 6.941 > 47 48 Li 0.74319199467396 0.50299971051428 0.16524141707868 6.941 > 47 49 Te 0.75608228280620 0.12500000000000 0.91397687858841 127.600 > 49 50 Te 0.75608228280620 0.62500000000000 0.91397687858841 127.600 > 49 51 Te 0.24391771719380 0.37500000000000 0.08602312141159 127.600 > 51 52 Te 0.24391771719380 0.87500000000000 0.08602312141159 127.600 > 51 53 Te 0.25608228280620 0.12500000000000 0.58602312141159 127.600 > 53 54 Te 0.25608228280620 0.62500000000000 0.58602312141159 127.600 > 53 55 Te 0.74391771719380 0.37500000000000 0.41397687858841 127.600 > 55 56 Te 0.74391771719380 0.87500000000000 0.41397687858841 127.600 > 55 57 O 0.14675260317961 0.25544789729892 0.16070127562210 15.999 > 57 58 O 0.14675260317961 0.75544789729892 0.16070127562210 15.999 > 57 59 O 0.14675260317961 0.49455210270108 0.16070127562210 15.999 > 59 60 O 0.14675260317961 0.99455210270108 0.16070127562210 15.999 > 59 61 O 0.15825672298683 0.24379537983129 0.51364876158361 15.999 > 61 62 O 0.15825672298683 0.74379537983129 0.51364876158361 15.999 > 61 63 O 0.67669727762387 0.12500000000000 0.73830314941729 15.999 > 63 64 O 0.67669727762387 0.62500000000000 0.73830314941729 15.999 > 63 65 O 0.83558749933791 0.12500000000000 0.09215635422246 15.999 > 65 66 O 0.83558749933791 0.62500000000000 0.09215635422246 15.999 > 65 67 O 0.17669727762387 0.12500000000000 0.76169685058271 15.999 > 67 68 O 0.17669727762387 0.62500000000000 0.76169685058271 15.999 > 67 69 O 0.34174327701317 0.49379537983129 0.01364876158361 15.999 > 69 70 O 0.34174327701317 0.99379537983129 0.01364876158361 15.999 > 69 71 O 0.66441250066209 0.37500000000000 0.59215635422246 15.999 > 71 72 O 0.66441250066209 0.87500000000000 0.59215635422246 15.999 > 71 73 O 0.84174327701317 0.25620462016871 0.48635123841639 15.999 > 73 74 O 0.84174327701317 0.75620462016871 0.48635123841639 15.999 > 73 75 O 0.84174327701317 0.49379537983129 0.48635123841639 15.999 > 75 76 O 0.84174327701317 0.99379537983129 0.48635123841639 15.999 > 75 77 O 0.82330272237613 0.37500000000000 0.23830314941729 15.999 > 77 78 O 0.82330272237613 0.87500000000000 0.23830314941729 15.999 > 77 79 O 0.65825672298683 0.24379537983129 0.98635123841639 15.999 > 79 80 O 0.65825672298683 0.74379537983129 0.98635123841639 15.999 > 79 81 O 0.64675260317961 0.49455210270108 0.33929872437790 15.999 > 81 82 O 0.64675260317961 0.99455210270108 0.33929872437790 15.999 > 81 83 O 0.34174327701317 0.25620462016871 0.01364876158361 15.999 > 83 84 O 0.34174327701317 0.75620462016871 0.01364876158361 15.999 > 83 85 O 0.35324739682039 0.00544789729892 0.66070127562210 15.999 > 85 86 O 0.35324739682039 0.50544789729892 0.66070127562210 15.999 > 85 87 O 0.33558749933791 0.12500000000000 0.40784364577754 15.999 > 87 88 O 0.33558749933791 0.62500000000000 0.40784364577754 15.999 > 87 89 O 0.35324739682039 0.24455210270108 0.66070127562210 15.999 > 89 90 O 0.35324739682039 0.74455210270108 0.66070127562210 15.999 > 89 91 O 0.32330272237613 0.37500000000000 0.26169685058272 15.999 > 91 92 O 0.32330272237613 0.87500000000000 0.26169685058272 15.999 > 91 93 O 0.85324739682039 0.24455210270108 0.83929872437790 15.999 > 93 94 O 0.85324739682039 0.74455210270108 0.83929872437790 15.999 > 93 95 O 0.16441250066209 0.37500000000000 0.90784364577754 15.999 > 95 96 O 0.16441250066209 0.87500000000000 0.90784364577754 15.999 > 95 97 O 0.85324739682039 0.00544789729892 0.83929872437790 15.999 > 97 98 O 0.85324739682039 0.50544789729892 0.83929872437790 15.999 > 97 99 O 0.15825672298683 0.00620462016871 0.51364876158361 15.999 > 99 100 O 0.15825672298683 0.50620462016871 0.51364876158361 15.999 > 99 101 O 0.65825672298683 0.00620462016871 0.98635123841639 15.999 > 101 102 O 0.65825672298683 0.50620462016871 0.98635123841639 15.999 > 101 103 O 0.64675260317961 0.25544789729892 0.33929872437790 15.999 > 103 104 O 0.64675260317961 0.75544789729892 0.33929872437790 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0650124 0.0000000 0.0000000 0.0000000 3.0906158 0.0000000 0.0000000 0.0000000 3.1154315 -------------------------- Born effective charges -------------------------- 1 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 2 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 3 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 4 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 5 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 6 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 7 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 8 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 9 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 10 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 11 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 12 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 13 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 14 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 15 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 16 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 17 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 18 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 19 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 20 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 21 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 22 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 23 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 24 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 25 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 26 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 27 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 28 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 29 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 30 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 31 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 32 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 33 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 34 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 35 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 36 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 37 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 38 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 39 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 40 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 41 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 42 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 43 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 44 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 45 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 46 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 47 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 48 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 49 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 50 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 51 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 52 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 ---------------------------------------------------------------------------- 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[ 9, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 63, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 16:18:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992223630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): 1 K 0.00728780639213 0.75000000000000 0.70585587595265 39.098 2 K 0.50728780639213 0.75000000000000 0.79414412404735 39.098 3 K 0.96156324691335 0.75000000000000 0.03978907931960 39.098 4 K 0.46156324691335 0.75000000000000 0.46021092068040 39.098 5 K 0.47260492945143 0.25000000000000 0.87048364039059 39.098 6 K 0.49271219360787 0.25000000000000 0.20585587595265 39.098 7 K 0.97260492945143 0.25000000000000 0.62951635960941 39.098 8 K 0.02739507054857 0.75000000000000 0.37048364039059 39.098 9 K 0.52739507054857 0.75000000000000 0.12951635960941 39.098 10 K 0.53843675308665 0.25000000000000 0.53978907931960 39.098 11 K 0.03843675308665 0.25000000000000 0.96021092068040 39.098 12 K 0.99271219360787 0.25000000000000 0.29414412404735 39.098 13 Li 0.25122720732299 0.25000000000000 0.09013274432642 6.941 14 Li 0.25680800532604 0.50599942102856 0.83475858292132 6.941 15 Li 0.75122720732299 0.25000000000000 0.40986725567358 6.941 16 Li 0.74319199467396 0.49400057897144 0.16524141707868 6.941 17 Li 0.75680800532604 0.99400057897144 0.66524141707868 6.941 18 Li 0.75680800532604 0.50599942102856 0.66524141707868 6.941 19 Li 0.24319199467396 0.49400057897144 0.33475858292132 6.941 20 Li 0.24319199467396 0.00599942102856 0.33475858292132 6.941 21 Li 0.74877279267701 0.75000000000000 0.90986725567358 6.941 22 Li 0.25680800532604 0.99400057897144 0.83475858292132 6.941 23 Li 0.24877279267701 0.75000000000000 0.59013274432642 6.941 24 Li 0.74319199467396 0.00599942102856 0.16524141707868 6.941 25 Te 0.75608228280620 0.25000000000000 0.91397687858841 127.600 26 Te 0.24391771719380 0.75000000000000 0.08602312141159 127.600 27 Te 0.25608228280620 0.25000000000000 0.58602312141159 127.600 28 Te 0.74391771719380 0.75000000000000 0.41397687858841 127.600 29 O 0.14675260317961 0.51089579459784 0.16070127562210 15.999 30 O 0.14675260317961 0.98910420540216 0.16070127562210 15.999 31 O 0.15825672298683 0.48759075966257 0.51364876158361 15.999 32 O 0.67669727762387 0.25000000000000 0.73830314941729 15.999 33 O 0.83558749933791 0.25000000000000 0.09215635422246 15.999 34 O 0.17669727762387 0.25000000000000 0.76169685058271 15.999 35 O 0.34174327701317 0.98759075966257 0.01364876158361 15.999 36 O 0.66441250066209 0.75000000000000 0.59215635422246 15.999 37 O 0.84174327701317 0.51240924033743 0.48635123841639 15.999 38 O 0.84174327701317 0.98759075966257 0.48635123841639 15.999 39 O 0.82330272237613 0.75000000000000 0.23830314941729 15.999 40 O 0.65825672298683 0.48759075966257 0.98635123841639 15.999 41 O 0.64675260317961 0.98910420540216 0.33929872437790 15.999 42 O 0.34174327701317 0.51240924033743 0.01364876158361 15.999 43 O 0.35324739682039 0.01089579459784 0.66070127562210 15.999 44 O 0.33558749933791 0.25000000000000 0.40784364577754 15.999 45 O 0.35324739682039 0.48910420540216 0.66070127562210 15.999 46 O 0.32330272237613 0.75000000000000 0.26169685058272 15.999 47 O 0.85324739682039 0.48910420540216 0.83929872437790 15.999 48 O 0.16441250066209 0.75000000000000 0.90784364577754 15.999 49 O 0.85324739682039 0.01089579459784 0.83929872437790 15.999 50 O 0.15825672298683 0.01240924033743 0.51364876158361 15.999 51 O 0.65825672298683 0.01240924033743 0.98635123841639 15.999 52 O 0.64675260317961 0.51089579459784 0.33929872437790 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.737180309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.984447260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.724808709999998 Atomic positions (fractional): 1 K 0.00728780639213 0.37500000000000 0.70585587595265 39.098 > 1 2 K 0.00728780639213 0.87500000000000 0.70585587595265 39.098 > 1 3 K 0.50728780639213 0.37500000000000 0.79414412404735 39.098 > 3 4 K 0.50728780639213 0.87500000000000 0.79414412404735 39.098 > 3 5 K 0.96156324691335 0.37500000000000 0.03978907931960 39.098 > 5 6 K 0.96156324691335 0.87500000000000 0.03978907931960 39.098 > 5 7 K 0.46156324691335 0.37500000000000 0.46021092068040 39.098 > 7 8 K 0.46156324691335 0.87500000000000 0.46021092068040 39.098 > 7 9 K 0.47260492945143 0.12500000000000 0.87048364039059 39.098 > 9 10 K 0.47260492945143 0.62500000000000 0.87048364039059 39.098 > 9 11 K 0.49271219360787 0.12500000000000 0.20585587595265 39.098 > 11 12 K 0.49271219360787 0.62500000000000 0.20585587595265 39.098 > 11 13 K 0.97260492945143 0.12500000000000 0.62951635960941 39.098 > 13 14 K 0.97260492945143 0.62500000000000 0.62951635960941 39.098 > 13 15 K 0.02739507054857 0.37500000000000 0.37048364039059 39.098 > 15 16 K 0.02739507054857 0.87500000000000 0.37048364039059 39.098 > 15 17 K 0.52739507054857 0.37500000000000 0.12951635960941 39.098 > 17 18 K 0.52739507054857 0.87500000000000 0.12951635960941 39.098 > 17 19 K 0.53843675308665 0.12500000000000 0.53978907931960 39.098 > 19 20 K 0.53843675308665 0.62500000000000 0.53978907931960 39.098 > 19 21 K 0.03843675308665 0.12500000000000 0.96021092068040 39.098 > 21 22 K 0.03843675308665 0.62500000000000 0.96021092068040 39.098 > 21 23 K 0.99271219360787 0.12500000000000 0.29414412404735 39.098 > 23 24 K 0.99271219360787 0.62500000000000 0.29414412404735 39.098 > 23 25 Li 0.25122720732299 0.12500000000000 0.09013274432642 6.941 > 25 26 Li 0.25122720732299 0.62500000000000 0.09013274432642 6.941 > 25 27 Li 0.25680800532604 0.25299971051428 0.83475858292132 6.941 > 27 28 Li 0.25680800532604 0.75299971051428 0.83475858292132 6.941 > 27 29 Li 0.75122720732299 0.12500000000000 0.40986725567358 6.941 > 29 30 Li 0.75122720732299 0.62500000000000 0.40986725567358 6.941 > 29 31 Li 0.74319199467396 0.24700028948572 0.16524141707868 6.941 > 31 32 Li 0.74319199467396 0.74700028948572 0.16524141707868 6.941 > 31 33 Li 0.75680800532604 0.49700028948572 0.66524141707868 6.941 > 33 34 Li 0.75680800532604 0.99700028948572 0.66524141707868 6.941 > 33 35 Li 0.75680800532604 0.25299971051428 0.66524141707868 6.941 > 35 36 Li 0.75680800532604 0.75299971051428 0.66524141707868 6.941 > 35 37 Li 0.24319199467396 0.24700028948572 0.33475858292132 6.941 > 37 38 Li 0.24319199467396 0.74700028948572 0.33475858292132 6.941 > 37 39 Li 0.24319199467396 0.00299971051428 0.33475858292132 6.941 > 39 40 Li 0.24319199467396 0.50299971051428 0.33475858292132 6.941 > 39 41 Li 0.74877279267701 0.37500000000000 0.90986725567358 6.941 > 41 42 Li 0.74877279267701 0.87500000000000 0.90986725567358 6.941 > 41 43 Li 0.25680800532604 0.49700028948572 0.83475858292132 6.941 > 43 44 Li 0.25680800532604 0.99700028948572 0.83475858292132 6.941 > 43 45 Li 0.24877279267701 0.37500000000000 0.59013274432642 6.941 > 45 46 Li 0.24877279267701 0.87500000000000 0.59013274432642 6.941 > 45 47 Li 0.74319199467396 0.00299971051428 0.16524141707868 6.941 > 47 48 Li 0.74319199467396 0.50299971051428 0.16524141707868 6.941 > 47 49 Te 0.75608228280620 0.12500000000000 0.91397687858841 127.600 > 49 50 Te 0.75608228280620 0.62500000000000 0.91397687858841 127.600 > 49 51 Te 0.24391771719380 0.37500000000000 0.08602312141159 127.600 > 51 52 Te 0.24391771719380 0.87500000000000 0.08602312141159 127.600 > 51 53 Te 0.25608228280620 0.12500000000000 0.58602312141159 127.600 > 53 54 Te 0.25608228280620 0.62500000000000 0.58602312141159 127.600 > 53 55 Te 0.74391771719380 0.37500000000000 0.41397687858841 127.600 > 55 56 Te 0.74391771719380 0.87500000000000 0.41397687858841 127.600 > 55 57 O 0.14675260317961 0.25544789729892 0.16070127562210 15.999 > 57 58 O 0.14675260317961 0.75544789729892 0.16070127562210 15.999 > 57 59 O 0.14675260317961 0.49455210270108 0.16070127562210 15.999 > 59 60 O 0.14675260317961 0.99455210270108 0.16070127562210 15.999 > 59 61 O 0.15825672298683 0.24379537983129 0.51364876158361 15.999 > 61 62 O 0.15825672298683 0.74379537983129 0.51364876158361 15.999 > 61 63 O 0.67669727762387 0.12500000000000 0.73830314941729 15.999 > 63 64 O 0.67669727762387 0.62500000000000 0.73830314941729 15.999 > 63 65 O 0.83558749933791 0.12500000000000 0.09215635422246 15.999 > 65 66 O 0.83558749933791 0.62500000000000 0.09215635422246 15.999 > 65 67 O 0.17669727762387 0.12500000000000 0.76169685058271 15.999 > 67 68 O 0.17669727762387 0.62500000000000 0.76169685058271 15.999 > 67 69 O 0.34174327701317 0.49379537983129 0.01364876158361 15.999 > 69 70 O 0.34174327701317 0.99379537983129 0.01364876158361 15.999 > 69 71 O 0.66441250066209 0.37500000000000 0.59215635422246 15.999 > 71 72 O 0.66441250066209 0.87500000000000 0.59215635422246 15.999 > 71 73 O 0.84174327701317 0.25620462016871 0.48635123841639 15.999 > 73 74 O 0.84174327701317 0.75620462016871 0.48635123841639 15.999 > 73 75 O 0.84174327701317 0.49379537983129 0.48635123841639 15.999 > 75 76 O 0.84174327701317 0.99379537983129 0.48635123841639 15.999 > 75 77 O 0.82330272237613 0.37500000000000 0.23830314941729 15.999 > 77 78 O 0.82330272237613 0.87500000000000 0.23830314941729 15.999 > 77 79 O 0.65825672298683 0.24379537983129 0.98635123841639 15.999 > 79 80 O 0.65825672298683 0.74379537983129 0.98635123841639 15.999 > 79 81 O 0.64675260317961 0.49455210270108 0.33929872437790 15.999 > 81 82 O 0.64675260317961 0.99455210270108 0.33929872437790 15.999 > 81 83 O 0.34174327701317 0.25620462016871 0.01364876158361 15.999 > 83 84 O 0.34174327701317 0.75620462016871 0.01364876158361 15.999 > 83 85 O 0.35324739682039 0.00544789729892 0.66070127562210 15.999 > 85 86 O 0.35324739682039 0.50544789729892 0.66070127562210 15.999 > 85 87 O 0.33558749933791 0.12500000000000 0.40784364577754 15.999 > 87 88 O 0.33558749933791 0.62500000000000 0.40784364577754 15.999 > 87 89 O 0.35324739682039 0.24455210270108 0.66070127562210 15.999 > 89 90 O 0.35324739682039 0.74455210270108 0.66070127562210 15.999 > 89 91 O 0.32330272237613 0.37500000000000 0.26169685058272 15.999 > 91 92 O 0.32330272237613 0.87500000000000 0.26169685058272 15.999 > 91 93 O 0.85324739682039 0.24455210270108 0.83929872437790 15.999 > 93 94 O 0.85324739682039 0.74455210270108 0.83929872437790 15.999 > 93 95 O 0.16441250066209 0.37500000000000 0.90784364577754 15.999 > 95 96 O 0.16441250066209 0.87500000000000 0.90784364577754 15.999 > 95 97 O 0.85324739682039 0.00544789729892 0.83929872437790 15.999 > 97 98 O 0.85324739682039 0.50544789729892 0.83929872437790 15.999 > 97 99 O 0.15825672298683 0.00620462016871 0.51364876158361 15.999 > 99 100 O 0.15825672298683 0.50620462016871 0.51364876158361 15.999 > 99 101 O 0.65825672298683 0.00620462016871 0.98635123841639 15.999 > 101 102 O 0.65825672298683 0.50620462016871 0.98635123841639 15.999 > 101 103 O 0.64675260317961 0.25544789729892 0.33929872437790 15.999 > 103 104 O 0.64675260317961 0.75544789729892 0.33929872437790 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0650124 0.0000000 0.0000000 0.0000000 3.0906158 0.0000000 0.0000000 0.0000000 3.1154315 -------------------------- Born effective charges -------------------------- 1 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 2 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 3 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 4 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 5 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 6 K 1.4276626 -0.0000000 0.0343353 0.0000000 1.2082385 0.0000000 -0.0197830 0.0000000 1.2621548 7 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 8 K 1.4465815 -0.0000000 -0.0061669 0.0000000 1.0265514 0.0000000 -0.0070248 0.0000000 1.1225388 9 K 1.4465815 -0.0000000 0.0061669 0.0000000 1.0265514 0.0000000 0.0070248 0.0000000 1.1225388 10 K 1.3914602 -0.0000000 -0.0159454 0.0000000 1.0830217 0.0000000 0.0356008 0.0000000 1.0900166 11 K 1.3914602 -0.0000000 0.0159454 0.0000000 1.0830217 0.0000000 -0.0356008 0.0000000 1.0900166 12 K 1.4276626 -0.0000000 -0.0343353 0.0000000 1.2082385 0.0000000 0.0197830 0.0000000 1.2621548 13 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 14 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 15 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 16 Li 0.6760995 -0.0177289 -0.0193747 -0.0189230 0.9016259 0.2681423 -0.0315287 0.2795086 1.1506868 17 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 18 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 19 Li 0.6760995 -0.0177289 0.0193747 -0.0189230 0.9016259 -0.2681423 0.0315287 -0.2795086 1.1506868 20 Li 0.6760995 0.0177289 0.0193747 0.0189230 0.9016259 0.2681423 0.0315287 0.2795086 1.1506868 21 Li 0.7789252 -0.0000000 -0.0226108 0.0000000 1.4044836 0.0000000 0.0456564 0.0000000 0.9120850 22 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 23 Li 0.7789252 -0.0000000 0.0226108 0.0000000 1.4044836 0.0000000 -0.0456564 0.0000000 0.9120850 24 Li 0.6760995 0.0177289 -0.0193747 0.0189230 0.9016259 -0.2681423 -0.0315287 -0.2795086 1.1506868 25 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 26 Te 4.1296103 -0.0000000 0.0034638 0.0000000 4.5118988 0.0000000 0.0198154 0.0000000 4.5136998 27 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 28 Te 4.1296103 -0.0000000 -0.0034638 0.0000000 4.5118988 0.0000000 -0.0198154 0.0000000 4.5136998 29 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 30 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 31 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 32 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 33 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 34 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 35 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 36 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 37 O -1.7915737 0.3882576 -0.1776109 0.3941804 -2.0307929 0.3138971 -0.1700888 0.2681889 -1.6596763 38 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 39 O -1.6847957 -0.0000000 0.3835348 0.0000000 -1.4317501 0.0000000 0.3765343 0.0000000 -2.2923793 40 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 41 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 42 O -1.7915737 0.3882576 0.1776109 0.3941804 -2.0307929 -0.3138971 0.1700888 -0.2681889 -1.6596763 43 O -1.7827376 0.3835794 -0.1878122 0.3433576 -2.0420943 0.2800060 -0.1488713 0.2164251 -1.6627257 44 O -1.6930205 -0.0000000 0.3852889 0.0000000 -1.4599212 0.0000000 0.3015919 0.0000000 -2.2646852 45 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 46 O -1.6847957 -0.0000000 -0.3835348 0.0000000 -1.4317501 0.0000000 -0.3765343 0.0000000 -2.2923793 47 O -1.7827376 -0.3835794 0.1878122 -0.3433576 -2.0420943 0.2800060 0.1488713 0.2164251 -1.6627257 48 O -1.6930205 -0.0000000 -0.3852889 0.0000000 -1.4599212 0.0000000 -0.3015919 0.0000000 -2.2646852 49 O -1.7827376 0.3835794 0.1878122 0.3433576 -2.0420943 -0.2800060 0.1488713 -0.2164251 -1.6627257 50 O -1.7915737 -0.3882576 -0.1776109 -0.3941804 -2.0307929 -0.3138971 -0.1700888 -0.2681889 -1.6596763 51 O -1.7915737 -0.3882576 0.1776109 -0.3941804 -2.0307929 0.3138971 0.1700888 0.2681889 -1.6596763 52 O -1.7827376 -0.3835794 -0.1878122 -0.3433576 -2.0420943 -0.2800060 -0.1488713 -0.2164251 -1.6627257 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 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: 0.47, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 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| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 0.911 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.499 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.694 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.403 ( 0.000 0.000 0.000) 0.000 12.558 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 13.646 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.063 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.594 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 15.006 ( 0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 15.892 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 0.000) 0.000 16.000 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 16.864 ( 0.000 0.000 0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.197 ( 0.000 0.000 0.000) 0.000 17.349 ( 0.000 0.000 0.000) 0.000 17.391 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.511 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.901 ( 0.000 0.000 0.000) 0.000 17.944 ( 0.000 0.000 0.000) 0.000 18.326 ( 0.000 0.000 0.000) 0.000 18.486 ( 0.000 0.000 0.000) 0.000 18.960 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.467 ( 0.000 0.000 0.000) 0.000 19.532 ( 0.000 0.000 0.000) 0.000 20.116 ( 0.000 0.000 0.000) 0.000 20.159 ( 0.000 0.000 0.000) 0.000 20.803 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.176 ( 8.676 0.000 0.000) 8.676 0.571 ( 26.293 0.000 0.000) 26.293 0.591 ( -9.878 0.000 0.000) 9.878 1.003 ( 5.027 0.000 0.000) 5.027 1.112 ( -0.715 0.000 0.000) 0.715 1.297 ( 50.397 0.000 0.000) 50.397 1.534 ( -4.051 0.000 0.000) 4.051 2.366 ( -1.055 0.000 0.000) 1.055 2.502 ( 1.017 0.000 0.000) 1.017 2.509 ( -4.724 0.000 0.000) 4.724 2.568 ( -1.605 0.000 0.000) 1.605 2.741 ( -1.796 0.000 0.000) 1.796 2.816 ( 1.564 0.000 0.000) 1.564 2.888 ( -1.208 0.000 0.000) 1.208 2.928 ( 3.998 0.000 0.000) 3.998 3.072 ( 0.257 0.000 0.000) 0.257 3.127 ( -3.348 0.000 0.000) 3.348 3.226 ( 0.494 0.000 0.000) 0.494 3.243 ( -0.139 0.000 0.000) 0.139 3.413 ( 0.041 0.000 0.000) 0.041 3.413 ( 0.426 0.000 0.000) 0.426 3.618 ( -1.230 0.000 0.000) 1.230 3.636 ( -4.208 0.000 0.000) 4.208 3.840 ( -30.560 0.000 0.000) 30.560 4.027 ( 2.019 0.000 0.000) 2.019 4.159 ( 1.169 0.000 0.000) 1.169 4.185 ( -4.917 0.000 0.000) 4.917 4.187 ( 2.085 0.000 0.000) 2.085 4.227 ( 1.824 0.000 0.000) 1.824 4.334 ( 1.893 0.000 0.000) 1.893 4.414 ( 5.087 0.000 0.000) 5.087 4.491 ( 5.095 0.000 0.000) 5.095 4.554 ( -0.641 0.000 0.000) 0.641 4.597 ( -2.744 0.000 0.000) 2.744 4.605 ( 0.834 0.000 0.000) 0.834 4.635 ( -0.245 0.000 0.000) 0.245 4.735 ( 0.987 0.000 0.000) 0.987 4.810 ( -4.550 0.000 0.000) 4.550 5.004 ( 2.354 0.000 0.000) 2.354 5.064 ( 3.351 0.000 0.000) 3.351 5.071 ( -0.212 0.000 0.000) 0.212 5.135 ( -2.539 0.000 0.000) 2.539 5.380 ( -1.451 0.000 0.000) 1.451 5.428 ( -0.375 0.000 0.000) 0.375 5.513 ( -3.640 0.000 0.000) 3.640 5.630 ( -11.846 0.000 0.000) 11.846 5.676 ( 0.690 0.000 0.000) 0.690 5.703 ( -0.235 0.000 0.000) 0.235 5.878 ( 1.533 0.000 0.000) 1.533 5.910 ( 5.916 0.000 0.000) 5.916 6.004 ( -3.621 0.000 0.000) 3.621 6.024 ( 3.248 0.000 0.000) 3.248 6.143 ( 10.151 0.000 0.000) 10.151 6.210 ( 1.177 0.000 0.000) 1.177 6.513 ( 4.559 0.000 0.000) 4.559 6.649 ( 6.557 0.000 0.000) 6.557 6.694 ( -2.576 0.000 0.000) 2.576 6.731 ( 1.536 0.000 0.000) 1.536 6.797 ( 3.938 0.000 0.000) 3.938 6.817 ( -0.169 0.000 0.000) 0.169 7.023 ( -3.748 0.000 0.000) 3.748 7.103 ( -5.900 0.000 0.000) 5.900 7.497 ( 0.463 0.000 0.000) 0.463 7.525 ( -0.569 0.000 0.000) 0.569 8.191 ( 1.333 0.000 0.000) 1.333 8.265 ( -1.377 0.000 0.000) 1.377 8.413 ( 1.958 0.000 0.000) 1.958 8.524 ( -2.232 0.000 0.000) 2.232 8.642 ( 3.766 0.000 0.000) 3.766 8.659 ( 0.103 0.000 0.000) 0.103 8.666 ( -0.138 0.000 0.000) 0.138 8.860 ( -3.779 0.000 0.000) 3.779 9.044 ( 0.342 0.000 0.000) 0.342 9.057 ( -0.145 0.000 0.000) 0.145 9.629 ( 0.077 0.000 0.000) 0.077 9.635 ( -0.143 0.000 0.000) 0.143 9.768 ( 2.393 0.000 0.000) 2.393 9.770 ( 0.176 0.000 0.000) 0.176 9.779 ( -0.145 0.000 0.000) 0.145 9.895 ( 0.266 0.000 0.000) 0.266 9.921 ( 0.257 0.000 0.000) 0.257 9.987 ( -5.094 0.000 0.000) 5.094 10.500 ( 0.129 0.000 0.000) 0.129 10.507 ( -0.120 0.000 0.000) 0.120 10.834 ( 0.012 0.000 0.000) 0.012 10.834 ( -0.011 0.000 0.000) 0.011 10.872 ( 0.174 0.000 0.000) 0.174 10.881 ( -0.157 0.000 0.000) 0.157 10.947 ( 0.325 0.000 0.000) 0.325 10.965 ( -0.332 0.000 0.000) 0.332 11.322 ( -0.095 0.000 0.000) 0.095 11.323 ( -0.097 0.000 0.000) 0.097 11.434 ( 1.236 0.000 0.000) 1.236 11.505 ( -1.431 0.000 0.000) 1.431 11.638 ( 0.207 0.000 0.000) 0.207 11.675 ( -1.409 0.000 0.000) 1.409 11.733 ( 0.988 0.000 0.000) 0.988 11.775 ( -0.595 0.000 0.000) 0.595 12.014 ( 0.199 0.000 0.000) 0.199 12.027 ( -0.264 0.000 0.000) 0.264 12.088 ( 0.086 0.000 0.000) 0.086 12.091 ( -0.033 0.000 0.000) 0.033 12.354 ( 0.114 0.000 0.000) 0.114 12.360 ( -0.109 0.000 0.000) 0.109 12.439 ( 2.939 0.000 0.000) 2.939 12.547 ( -1.192 0.000 0.000) 1.192 12.886 ( 3.440 0.000 0.000) 3.440 13.015 ( -1.225 0.000 0.000) 1.225 13.208 ( 0.198 0.000 0.000) 0.198 13.220 ( -0.216 0.000 0.000) 0.216 13.563 ( -1.513 0.000 0.000) 1.513 13.577 ( -1.362 0.000 0.000) 1.362 13.628 ( 0.830 0.000 0.000) 0.830 13.645 ( -0.123 0.000 0.000) 0.123 14.058 ( 1.140 0.000 0.000) 1.140 14.067 ( 0.373 0.000 0.000) 0.373 14.097 ( -0.810 0.000 0.000) 0.810 14.122 ( -1.192 0.000 0.000) 1.192 14.298 ( 1.400 0.000 0.000) 1.400 14.331 ( 0.251 0.000 0.000) 0.251 14.580 ( 0.255 0.000 0.000) 0.255 14.592 ( -0.200 0.000 0.000) 0.200 15.004 ( 0.332 0.000 0.000) 0.332 15.007 ( 0.114 0.000 0.000) 0.114 15.645 ( 0.725 0.000 0.000) 0.725 15.681 ( -0.588 0.000 0.000) 0.588 15.894 ( 0.150 0.000 0.000) 0.150 15.900 ( -0.078 0.000 0.000) 0.078 16.005 ( 0.485 0.000 0.000) 0.485 16.036 ( -0.669 0.000 0.000) 0.669 16.125 ( 0.534 0.000 0.000) 0.534 16.148 ( -0.335 0.000 0.000) 0.335 16.633 ( -0.848 0.000 0.000) 0.848 16.735 ( -3.332 0.000 0.000) 3.332 16.761 ( 2.075 0.000 0.000) 2.075 16.831 ( -2.071 0.000 0.000) 2.071 17.093 ( 0.709 0.000 0.000) 0.709 17.177 ( -1.727 0.000 0.000) 1.727 17.352 ( 0.382 0.000 0.000) 0.382 17.425 ( -3.022 0.000 0.000) 3.022 17.489 ( 7.088 0.000 0.000) 7.088 17.560 ( 2.257 0.000 0.000) 2.257 17.597 ( 0.188 0.000 0.000) 0.188 17.650 ( 1.484 0.000 0.000) 1.484 17.798 ( -0.724 0.000 0.000) 0.724 17.876 ( -2.206 0.000 0.000) 2.206 18.338 ( 1.269 0.000 0.000) 1.269 18.452 ( -2.896 0.000 0.000) 2.896 18.998 ( 3.278 0.000 0.000) 3.278 19.142 ( -1.928 0.000 0.000) 1.928 19.477 ( 0.880 0.000 0.000) 0.880 19.523 ( -0.802 0.000 0.000) 0.802 19.948 ( 2.505 0.000 0.000) 2.505 20.117 ( -3.627 0.000 0.000) 3.627 20.806 ( 0.254 0.000 0.000) 0.254 20.830 ( -0.665 0.000 0.000) 0.665 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -9.983 0.000 0.000) 9.983 0.375 ( 9.983 0.000 0.000) 9.983 1.082 ( -2.370 0.000 0.000) 2.370 1.082 ( 2.370 0.000 0.000) 2.370 1.102 ( -22.798 0.000 0.000) 22.798 1.102 ( 22.798 0.000 0.000) 22.798 2.287 ( -15.357 0.000 0.000) 15.357 2.287 ( 15.357 0.000 0.000) 15.357 2.531 ( -1.670 0.000 0.000) 1.670 2.531 ( 1.670 0.000 0.000) 1.670 2.594 ( -15.935 0.000 0.000) 15.935 2.594 ( 15.935 0.000 0.000) 15.935 2.854 ( -1.816 0.000 0.000) 1.816 2.854 ( 1.816 0.000 0.000) 1.816 3.019 ( -11.686 0.000 0.000) 11.686 3.019 ( 11.686 0.000 0.000) 11.686 3.101 ( -6.420 0.000 0.000) 6.420 3.101 ( 6.420 0.000 0.000) 6.420 3.237 ( -0.463 0.000 0.000) 0.463 3.237 ( 0.463 0.000 0.000) 0.463 3.496 ( -3.194 0.000 0.000) 3.194 3.496 ( 3.194 0.000 0.000) 3.194 3.561 ( -0.652 0.000 0.000) 0.652 3.561 ( 0.652 0.000 0.000) 0.652 4.090 ( -3.833 0.000 0.000) 3.833 4.090 ( 3.833 0.000 0.000) 3.833 4.190 ( -1.146 0.000 0.000) 1.146 4.190 ( 1.146 0.000 0.000) 1.146 4.342 ( -2.788 0.000 0.000) 2.788 4.342 ( 2.788 0.000 0.000) 2.788 4.518 ( -4.473 0.000 0.000) 4.473 4.518 ( 4.473 0.000 0.000) 4.473 4.539 ( -0.424 0.000 0.000) 0.424 4.539 ( 0.424 0.000 0.000) 0.424 4.624 ( -0.773 0.000 0.000) 0.773 4.624 ( 0.773 0.000 0.000) 0.773 4.765 ( -0.723 0.000 0.000) 0.723 4.765 ( 0.723 0.000 0.000) 0.723 5.069 ( -3.386 0.000 0.000) 3.386 5.069 ( 3.386 0.000 0.000) 3.386 5.077 ( -1.073 0.000 0.000) 1.073 5.077 ( 1.073 0.000 0.000) 1.073 5.403 ( -3.199 0.000 0.000) 3.199 5.403 ( 3.199 0.000 0.000) 3.199 5.466 ( -0.845 0.000 0.000) 0.845 5.466 ( 0.845 0.000 0.000) 0.845 5.692 ( -0.725 0.000 0.000) 0.725 5.692 ( 0.725 0.000 0.000) 0.725 5.928 ( -3.138 0.000 0.000) 3.138 5.928 ( 3.138 0.000 0.000) 3.138 6.019 ( -3.434 0.000 0.000) 3.434 6.019 ( 3.434 0.000 0.000) 3.434 6.235 ( -0.197 0.000 0.000) 0.197 6.235 ( 0.197 0.000 0.000) 0.197 6.616 ( -4.568 0.000 0.000) 4.568 6.616 ( 4.568 0.000 0.000) 4.568 6.748 ( -0.167 0.000 0.000) 0.167 6.748 ( 0.167 0.000 0.000) 0.167 6.909 ( -0.973 0.000 0.000) 0.973 6.909 ( 0.973 0.000 0.000) 0.973 6.927 ( -5.060 0.000 0.000) 5.060 6.927 ( 5.060 0.000 0.000) 5.060 7.510 ( -0.725 0.000 0.000) 0.725 7.510 ( 0.725 0.000 0.000) 0.725 8.228 ( -1.914 0.000 0.000) 1.914 8.228 ( 1.914 0.000 0.000) 1.914 8.467 ( -2.836 0.000 0.000) 2.836 8.467 ( 2.836 0.000 0.000) 2.836 8.662 ( -0.171 0.000 0.000) 0.171 8.662 ( 0.171 0.000 0.000) 0.171 8.751 ( -5.868 0.000 0.000) 5.868 8.751 ( 5.868 0.000 0.000) 5.868 9.051 ( -0.327 0.000 0.000) 0.327 9.051 ( 0.327 0.000 0.000) 0.327 9.631 ( -0.155 0.000 0.000) 0.155 9.631 ( 0.155 0.000 0.000) 0.155 9.775 ( -0.227 0.000 0.000) 0.227 9.775 ( 0.227 0.000 0.000) 0.227 9.848 ( -4.745 0.000 0.000) 4.745 9.848 ( 4.745 0.000 0.000) 4.745 9.923 ( -0.137 0.000 0.000) 0.137 9.923 ( 0.137 0.000 0.000) 0.137 10.504 ( -0.176 0.000 0.000) 0.176 10.504 ( 0.176 0.000 0.000) 0.176 10.834 ( -0.016 0.000 0.000) 0.016 10.834 ( 0.016 0.000 0.000) 0.016 10.876 ( -0.233 0.000 0.000) 0.233 10.876 ( 0.233 0.000 0.000) 0.233 10.956 ( -0.475 0.000 0.000) 0.475 10.956 ( 0.475 0.000 0.000) 0.475 11.321 ( -0.057 0.000 0.000) 0.057 11.321 ( 0.057 0.000 0.000) 0.057 11.468 ( -1.830 0.000 0.000) 1.830 11.468 ( 1.830 0.000 0.000) 1.830 11.649 ( -0.871 0.000 0.000) 0.871 11.649 ( 0.871 0.000 0.000) 0.871 11.757 ( -1.093 0.000 0.000) 1.093 11.757 ( 1.093 0.000 0.000) 1.093 12.020 ( -0.320 0.000 0.000) 0.320 12.020 ( 0.320 0.000 0.000) 0.320 12.089 ( -0.077 0.000 0.000) 0.077 12.089 ( 0.077 0.000 0.000) 0.077 12.357 ( -0.158 0.000 0.000) 0.158 12.357 ( 0.158 0.000 0.000) 0.158 12.504 ( -2.763 0.000 0.000) 2.763 12.504 ( 2.763 0.000 0.000) 2.763 12.966 ( -3.414 0.000 0.000) 3.414 12.966 ( 3.414 0.000 0.000) 3.414 13.214 ( -0.292 0.000 0.000) 0.292 13.214 ( 0.292 0.000 0.000) 0.292 13.552 ( -0.574 0.000 0.000) 0.574 13.552 ( 0.574 0.000 0.000) 0.574 13.640 ( -0.349 0.000 0.000) 0.349 13.640 ( 0.349 0.000 0.000) 0.349 14.079 ( -0.776 0.000 0.000) 0.776 14.079 ( 0.776 0.000 0.000) 0.776 14.090 ( -1.644 0.000 0.000) 1.644 14.090 ( 1.644 0.000 0.000) 1.644 14.326 ( -0.861 0.000 0.000) 0.861 14.326 ( 0.861 0.000 0.000) 0.861 14.586 ( -0.318 0.000 0.000) 0.318 14.586 ( 0.318 0.000 0.000) 0.318 15.009 ( -0.067 0.000 0.000) 0.067 15.009 ( 0.067 0.000 0.000) 0.067 15.664 ( -0.927 0.000 0.000) 0.927 15.664 ( 0.927 0.000 0.000) 0.927 15.898 ( -0.155 0.000 0.000) 0.155 15.898 ( 0.155 0.000 0.000) 0.155 16.019 ( -0.793 0.000 0.000) 0.793 16.019 ( 0.793 0.000 0.000) 0.793 16.138 ( -0.589 0.000 0.000) 0.589 16.138 ( 0.589 0.000 0.000) 0.589 16.656 ( -3.001 0.000 0.000) 3.001 16.656 ( 3.001 0.000 0.000) 3.001 16.797 ( -1.410 0.000 0.000) 1.410 16.797 ( 1.410 0.000 0.000) 1.410 17.131 ( -2.371 0.000 0.000) 2.371 17.131 ( 2.371 0.000 0.000) 2.371 17.373 ( -1.728 0.000 0.000) 1.728 17.373 ( 1.728 0.000 0.000) 1.728 17.593 ( -0.779 0.000 0.000) 0.779 17.593 ( 0.779 0.000 0.000) 0.779 17.625 ( -4.557 0.000 0.000) 4.557 17.625 ( 4.557 0.000 0.000) 4.557 17.818 ( -2.676 0.000 0.000) 2.676 17.818 ( 2.676 0.000 0.000) 2.676 18.384 ( -2.974 0.000 0.000) 2.974 18.384 ( 2.974 0.000 0.000) 2.974 19.079 ( -3.790 0.000 0.000) 3.790 19.079 ( 3.790 0.000 0.000) 3.790 19.501 ( -1.186 0.000 0.000) 1.186 19.501 ( 1.186 0.000 0.000) 1.186 20.025 ( -4.459 0.000 0.000) 4.459 20.025 ( 4.459 0.000 0.000) 4.459 20.815 ( -0.643 0.000 0.000) 0.643 20.815 ( 0.643 0.000 0.000) 0.643 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.000 19.239 0.000) 19.239 0.756 ( 0.000 36.025 0.000) 36.025 1.214 ( 0.000 51.069 0.000) 51.069 1.270 ( 0.000 27.849 0.000) 27.849 1.515 ( 0.000 52.744 0.000) 52.744 1.594 ( 0.000 14.822 0.000) 14.822 1.851 ( 0.000 22.556 0.000) 22.556 2.350 ( 0.000 0.041 0.000) 0.041 2.576 ( 0.000 -0.234 0.000) 0.234 2.586 ( 0.000 5.084 0.000) 5.084 2.659 ( 0.000 1.197 0.000) 1.197 2.763 ( 0.000 4.563 0.000) 4.563 2.854 ( 0.000 7.041 0.000) 7.041 2.984 ( 0.000 14.376 0.000) 14.376 3.088 ( 0.000 -2.051 0.000) 2.051 3.111 ( 0.000 5.479 0.000) 5.479 3.256 ( 0.000 0.284 0.000) 0.284 3.383 ( 0.000 -1.760 0.000) 1.760 3.413 ( 0.000 16.550 0.000) 16.550 3.446 ( 0.000 2.107 0.000) 2.107 3.510 ( 0.000 5.916 0.000) 5.916 3.514 ( 0.000 14.585 0.000) 14.585 3.692 ( 0.000 -0.161 0.000) 0.161 3.951 ( 0.000 -2.314 0.000) 2.314 4.009 ( 0.000 2.433 0.000) 2.433 4.088 ( 0.000 -8.608 0.000) 8.608 4.256 ( 0.000 7.259 0.000) 7.259 4.312 ( 0.000 2.545 0.000) 2.545 4.335 ( 0.000 -3.927 0.000) 3.927 4.339 ( 0.000 1.881 0.000) 1.881 4.377 ( 0.000 -2.036 0.000) 2.036 4.431 ( 0.000 4.666 0.000) 4.666 4.574 ( 0.000 -4.076 0.000) 4.076 4.587 ( 0.000 4.393 0.000) 4.393 4.669 ( 0.000 6.143 0.000) 6.143 4.671 ( 0.000 -0.611 0.000) 0.611 4.828 ( 0.000 -4.943 0.000) 4.943 4.856 ( 0.000 -0.886 0.000) 0.886 4.977 ( 0.000 0.067 0.000) 0.067 5.097 ( 0.000 6.478 0.000) 6.478 5.151 ( 0.000 11.143 0.000) 11.143 5.189 ( 0.000 1.493 0.000) 1.493 5.318 ( 0.000 7.626 0.000) 7.626 5.332 ( 0.000 -5.608 0.000) 5.608 5.520 ( 0.000 -4.374 0.000) 4.374 5.637 ( 0.000 -5.471 0.000) 5.471 5.706 ( 0.000 2.300 0.000) 2.300 5.716 ( 0.000 -7.055 0.000) 7.055 5.771 ( 0.000 -7.014 0.000) 7.014 5.779 ( 0.000 -9.207 0.000) 9.207 5.923 ( 0.000 -0.086 0.000) 0.086 5.975 ( 0.000 1.847 0.000) 1.847 5.981 ( 0.000 -5.701 0.000) 5.701 6.198 ( 0.000 0.484 0.000) 0.484 6.290 ( 0.000 -9.650 0.000) 9.650 6.309 ( 0.000 -0.327 0.000) 0.327 6.428 ( 0.000 -11.795 0.000) 11.795 6.636 ( 0.000 -2.840 0.000) 2.840 6.643 ( 0.000 -7.227 0.000) 7.227 6.983 ( 0.000 -6.915 0.000) 6.915 6.995 ( 0.000 16.119 0.000) 16.119 7.027 ( 0.000 11.841 0.000) 11.841 7.627 ( 0.000 12.086 0.000) 12.086 7.677 ( 0.000 12.722 0.000) 12.722 8.214 ( 0.000 1.897 0.000) 1.897 8.348 ( 0.000 5.558 0.000) 5.558 8.380 ( 0.000 0.174 0.000) 0.174 8.538 ( 0.000 -0.884 0.000) 0.884 8.641 ( 0.000 3.643 0.000) 3.643 8.646 ( 0.000 1.159 0.000) 1.159 8.753 ( 0.000 8.955 0.000) 8.955 8.757 ( 0.000 8.331 0.000) 8.331 9.042 ( 0.000 0.371 0.000) 0.371 9.061 ( 0.000 0.264 0.000) 0.264 9.626 ( 0.000 2.756 0.000) 2.756 9.769 ( 0.000 10.018 0.000) 10.018 9.773 ( 0.000 3.010 0.000) 3.010 9.781 ( 0.000 0.524 0.000) 0.524 9.812 ( 0.000 2.061 0.000) 2.061 9.879 ( 0.000 -0.719 0.000) 0.719 9.891 ( 0.000 -2.046 0.000) 2.046 9.971 ( 0.000 1.650 0.000) 1.650 10.522 ( 0.000 1.811 0.000) 1.811 10.529 ( 0.000 1.629 0.000) 1.629 10.787 ( 0.000 -6.319 0.000) 6.319 10.803 ( 0.000 -6.788 0.000) 6.788 10.970 ( 0.000 12.624 0.000) 12.624 11.007 ( 0.000 5.380 0.000) 5.380 11.010 ( 0.000 6.287 0.000) 6.287 11.383 ( 0.000 5.797 0.000) 5.797 11.396 ( 0.000 7.089 0.000) 7.089 11.430 ( 0.000 1.006 0.000) 1.006 11.530 ( 0.000 0.860 0.000) 0.860 11.590 ( 0.000 -2.933 0.000) 2.933 11.637 ( 0.000 -3.473 0.000) 3.473 11.688 ( 0.000 -2.979 0.000) 2.979 11.750 ( 0.000 -3.082 0.000) 3.082 12.017 ( 0.000 -1.940 0.000) 1.940 12.045 ( 0.000 2.037 0.000) 2.037 12.170 ( 0.000 6.086 0.000) 6.086 12.180 ( 0.000 6.923 0.000) 6.923 12.314 ( 0.000 -3.773 0.000) 3.773 12.345 ( 0.000 -1.771 0.000) 1.771 12.350 ( 0.000 -0.442 0.000) 0.442 12.406 ( 0.000 -0.151 0.000) 0.151 12.524 ( 0.000 -3.133 0.000) 3.133 12.653 ( 0.000 -15.545 0.000) 15.545 12.746 ( 0.000 -19.440 0.000) 19.440 13.280 ( 0.000 3.992 0.000) 3.992 13.302 ( 0.000 1.036 0.000) 1.036 13.421 ( 0.000 -17.458 0.000) 17.458 13.425 ( 0.000 -15.144 0.000) 15.144 13.535 ( 0.000 -5.455 0.000) 5.455 13.597 ( 0.000 -0.038 0.000) 0.038 14.031 ( 0.000 -2.476 0.000) 2.476 14.060 ( 0.000 -2.895 0.000) 2.895 14.100 ( 0.000 -5.534 0.000) 5.534 14.127 ( 0.000 -7.677 0.000) 7.677 14.243 ( 0.000 5.158 0.000) 5.158 14.274 ( 0.000 2.729 0.000) 2.729 14.666 ( 0.000 -5.946 0.000) 5.946 14.724 ( 0.000 9.209 0.000) 9.209 14.903 ( 0.000 -0.833 0.000) 0.833 14.938 ( 0.000 -6.399 0.000) 6.399 15.771 ( 0.000 11.596 0.000) 11.596 15.807 ( 0.000 9.915 0.000) 9.915 15.978 ( 0.000 6.593 0.000) 6.593 16.040 ( 0.000 3.593 0.000) 3.593 16.093 ( 0.000 4.426 0.000) 4.426 16.164 ( 0.000 6.828 0.000) 6.828 16.247 ( 0.000 9.391 0.000) 9.391 16.573 ( 0.000 -5.387 0.000) 5.387 16.632 ( 0.000 -0.053 0.000) 0.053 16.711 ( 0.000 -1.797 0.000) 1.797 16.759 ( 0.000 -2.877 0.000) 2.877 16.829 ( 0.000 -3.237 0.000) 3.237 16.976 ( 0.000 -5.228 0.000) 5.228 17.196 ( 0.000 -0.246 0.000) 0.246 17.255 ( 0.000 -11.634 0.000) 11.634 17.285 ( 0.000 -5.439 0.000) 5.439 17.669 ( 0.000 12.964 0.000) 12.964 17.692 ( 0.000 12.162 0.000) 12.162 17.840 ( 0.000 2.714 0.000) 2.714 17.848 ( 0.000 1.852 0.000) 1.852 17.869 ( 0.000 -2.343 0.000) 2.343 18.044 ( 0.000 16.333 0.000) 16.333 18.328 ( 0.000 0.299 0.000) 0.299 18.444 ( 0.000 -3.763 0.000) 3.763 18.957 ( 0.000 -0.348 0.000) 0.348 19.129 ( 0.000 -3.517 0.000) 3.517 19.489 ( 0.000 1.825 0.000) 1.825 19.575 ( 0.000 4.000 0.000) 4.000 20.011 ( 0.000 -1.140 0.000) 1.140 20.086 ( 0.000 -7.601 0.000) 7.601 20.101 ( 0.000 -1.307 0.000) 1.307 20.629 ( 0.000 -14.982 0.000) 14.982 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 15.061 27.991 0.000) 31.786 1.138 ( 15.444 32.442 0.000) 35.930 1.250 ( -1.577 32.837 0.000) 32.875 1.353 ( 26.502 16.830 0.000) 31.395 1.517 ( 0.093 47.877 0.000) 47.877 1.529 ( 8.190 24.399 0.000) 25.737 1.737 ( -10.078 24.366 0.000) 26.368 2.337 ( -0.305 -0.196 0.000) 0.362 2.473 ( -5.690 -1.359 0.000) 5.850 2.561 ( -2.303 -0.051 0.000) 2.304 2.677 ( 3.024 12.082 0.000) 12.455 2.853 ( -0.183 8.207 0.000) 8.209 2.898 ( 4.862 -0.719 0.000) 4.915 2.977 ( -0.168 13.026 0.000) 13.027 2.989 ( -3.269 3.438 0.000) 4.744 3.108 ( -0.837 4.412 0.000) 4.491 3.255 ( -9.213 11.056 0.000) 14.392 3.330 ( 3.537 2.236 0.000) 4.185 3.372 ( -0.572 4.514 0.000) 4.550 3.443 ( 0.753 10.092 0.000) 10.120 3.462 ( -0.137 6.938 0.000) 6.939 3.610 ( 1.305 4.594 0.000) 4.776 3.633 ( -3.794 0.047 0.000) 3.794 3.802 ( -27.904 -3.134 0.000) 28.080 4.029 ( 1.959 1.643 0.000) 2.557 4.095 ( 0.970 -6.333 0.000) 6.407 4.148 ( 2.402 -2.251 0.000) 3.292 4.245 ( -0.797 5.692 0.000) 5.747 4.300 ( -2.675 3.795 0.000) 4.643 4.326 ( -0.227 -0.822 0.000) 0.853 4.454 ( 1.802 2.338 0.000) 2.952 4.457 ( 3.881 -3.276 0.000) 5.079 4.557 ( -0.566 -1.169 0.000) 1.299 4.577 ( -0.485 3.508 0.000) 3.541 4.677 ( 1.571 2.199 0.000) 2.702 4.687 ( 1.105 6.607 0.000) 6.699 4.803 ( -1.043 -1.254 0.000) 1.631 4.821 ( -0.987 2.470 0.000) 2.660 5.004 ( 1.822 -0.548 0.000) 1.903 5.055 ( -2.048 2.598 0.000) 3.308 5.167 ( 0.911 8.794 0.000) 8.841 5.230 ( -1.398 6.808 0.000) 6.950 5.305 ( -0.078 -5.196 0.000) 5.196 5.391 ( 1.561 -0.975 0.000) 1.840 5.462 ( -3.174 -3.707 0.000) 4.880 5.562 ( -7.499 -5.078 0.000) 9.056 5.698 ( -0.934 -2.109 0.000) 2.306 5.704 ( 0.115 1.244 0.000) 1.250 5.812 ( 5.081 -3.684 0.000) 6.276 5.906 ( 5.439 -5.756 0.000) 7.919 5.946 ( -2.104 -5.128 0.000) 5.543 6.010 ( 2.580 -1.870 0.000) 3.187 6.051 ( 7.386 -4.958 0.000) 8.896 6.139 ( -0.431 -5.034 0.000) 5.052 6.316 ( 2.456 -11.511 0.000) 11.770 6.418 ( -1.102 -12.788 0.000) 12.836 6.634 ( 12.738 -12.612 0.000) 17.926 6.658 ( 2.667 -3.816 0.000) 4.656 6.703 ( 4.975 -10.038 0.000) 11.203 6.928 ( -4.485 -4.892 0.000) 6.637 7.005 ( 0.806 15.034 0.000) 15.056 7.033 ( -0.035 10.555 0.000) 10.555 7.633 ( 0.551 12.048 0.000) 12.060 7.669 ( -0.736 12.557 0.000) 12.578 8.239 ( 2.154 2.967 0.000) 3.666 8.332 ( -1.436 5.487 0.000) 5.671 8.394 ( 1.395 -0.753 0.000) 1.585 8.509 ( -2.616 -1.621 0.000) 3.077 8.664 ( 2.013 2.527 0.000) 3.231 8.698 ( 2.660 -2.451 0.000) 3.617 8.754 ( 0.062 8.898 0.000) 8.899 8.757 ( 0.010 8.377 0.000) 8.377 9.045 ( 0.226 0.282 0.000) 0.362 9.056 ( -0.324 0.251 0.000) 0.410 9.663 ( 2.597 2.831 0.000) 3.842 9.739 ( -1.296 5.966 0.000) 6.105 9.783 ( 0.250 0.740 0.000) 0.781 9.805 ( -0.462 2.103 0.000) 2.153 9.826 ( 3.193 5.854 0.000) 6.668 9.884 ( 0.359 -0.859 0.000) 0.931 9.899 ( 0.627 -1.642 0.000) 1.757 9.972 ( -0.633 1.140 0.000) 1.304 10.523 ( 0.134 1.813 0.000) 1.818 10.528 ( -0.047 1.703 0.000) 1.704 10.788 ( 0.091 -6.465 0.000) 6.465 10.800 ( -0.285 -6.757 0.000) 6.763 10.989 ( 0.905 9.597 0.000) 9.639 11.007 ( -0.289 6.312 0.000) 6.319 11.032 ( 3.610 11.262 0.000) 11.826 11.385 ( 0.149 6.014 0.000) 6.016 11.393 ( -0.258 6.902 0.000) 6.907 11.442 ( 1.035 0.821 0.000) 1.321 11.510 ( -1.720 0.450 0.000) 1.778 11.587 ( -1.462 -1.348 0.000) 1.988 11.621 ( -1.132 -3.327 0.000) 3.514 11.686 ( -5.374 2.489 0.000) 5.922 11.744 ( -0.560 -2.938 0.000) 2.991 11.766 ( -27.612 24.992 0.000) 37.243 12.025 ( 0.629 -1.085 0.000) 1.254 12.047 ( -0.452 2.159 0.000) 2.206 12.179 ( -0.204 6.746 0.000) 6.749 12.179 ( -0.180 6.752 0.000) 6.754 12.337 ( -0.108 -2.513 0.000) 2.516 12.342 ( -0.203 -1.908 0.000) 1.918 12.388 ( 3.090 -2.789 0.000) 4.162 12.508 ( -1.504 -3.233 0.000) 3.565 12.673 ( 1.595 -16.600 0.000) 16.677 12.728 ( -0.765 -19.706 0.000) 19.720 13.288 ( 0.776 3.281 0.000) 3.371 13.309 ( 0.388 1.275 0.000) 1.332 13.428 ( 0.468 -14.022 0.000) 14.030 13.434 ( 1.093 -15.743 0.000) 15.781 13.517 ( -1.441 -5.598 0.000) 5.780 13.562 ( -2.770 -1.825 0.000) 3.318 14.015 ( -0.559 -3.002 0.000) 3.053 14.038 ( -1.320 -3.274 0.000) 3.531 14.128 ( 1.731 -5.019 0.000) 5.309 14.145 ( 1.031 -6.542 0.000) 6.623 14.247 ( 0.423 4.480 0.000) 4.500 14.270 ( -0.391 2.732 0.000) 2.760 14.690 ( 1.195 1.493 0.000) 1.912 14.720 ( -0.395 8.644 0.000) 8.653 14.921 ( 1.155 -4.360 0.000) 4.511 14.940 ( 0.089 -6.206 0.000) 6.207 15.779 ( 0.662 11.469 0.000) 11.488 15.804 ( -0.281 10.225 0.000) 10.228 15.991 ( 1.268 7.694 0.000) 7.798 16.048 ( 0.697 3.782 0.000) 3.845 16.083 ( -0.922 4.569 0.000) 4.661 16.170 ( -0.460 9.728 0.000) 9.739 16.237 ( -0.908 8.757 0.000) 8.804 16.264 ( -14.271 12.881 0.000) 19.224 16.604 ( -0.858 -2.500 0.000) 2.643 16.707 ( -4.199 -3.722 0.000) 5.611 16.742 ( 2.128 -1.769 0.000) 2.768 16.810 ( -1.232 -1.804 0.000) 2.184 17.011 ( 2.778 -4.490 0.000) 5.280 17.153 ( -3.151 -2.365 0.000) 3.940 17.245 ( -0.234 -7.904 0.000) 7.908 17.281 ( -0.734 -5.785 0.000) 5.832 17.651 ( -2.919 10.358 0.000) 10.761 17.685 ( 2.240 6.853 0.000) 7.209 17.705 ( -0.033 12.495 0.000) 12.495 17.830 ( -2.277 4.192 0.000) 4.770 17.892 ( 2.286 4.068 0.000) 4.667 18.003 ( -1.782 19.579 0.000) 19.659 18.338 ( 1.003 0.013 0.000) 1.003 18.423 ( -2.085 -2.675 0.000) 3.391 18.989 ( 2.704 -0.902 0.000) 2.850 19.109 ( -1.733 -3.032 0.000) 3.493 19.516 ( 1.333 3.105 0.000) 3.379 19.566 ( -0.813 3.978 0.000) 4.061 19.913 ( 0.597 -3.216 0.000) 3.271 20.049 ( -3.244 -7.156 0.000) 7.857 20.461 ( 10.698 -21.568 0.000) 24.075 20.617 ( -1.059 -15.984 0.000) 16.019 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.948 40.082 0.000) 40.093 1.210 ( 0.948 40.082 0.000) 40.093 1.297 ( -14.337 19.032 0.000) 23.828 1.297 ( 14.337 19.032 0.000) 23.828 1.537 ( -3.497 39.604 0.000) 39.758 1.537 ( 3.497 39.604 0.000) 39.758 2.282 ( -17.560 1.141 0.000) 17.597 2.282 ( 17.560 1.141 0.000) 17.597 2.432 ( -5.531 -3.874 0.000) 6.753 2.432 ( 5.531 -3.874 0.000) 6.753 2.809 ( -7.451 14.347 0.000) 16.167 2.809 ( 7.451 14.347 0.000) 16.167 2.968 ( -1.941 5.951 0.000) 6.259 2.968 ( 1.941 5.951 0.000) 6.259 3.007 ( -11.614 0.029 0.000) 11.614 3.007 ( 11.614 0.029 0.000) 11.614 3.150 ( -2.704 6.955 0.000) 7.462 3.150 ( 2.704 6.955 0.000) 7.462 3.382 ( -0.725 8.817 0.000) 8.846 3.382 ( 0.725 8.817 0.000) 8.846 3.500 ( -2.907 0.691 0.000) 2.988 3.500 ( 2.907 0.691 0.000) 2.988 3.594 ( -0.962 6.391 0.000) 6.463 3.594 ( 0.962 6.391 0.000) 6.463 4.086 ( -2.476 -1.031 0.000) 2.682 4.086 ( 2.476 -1.031 0.000) 2.682 4.217 ( -1.893 0.766 0.000) 2.042 4.217 ( 1.893 0.766 0.000) 2.042 4.304 ( -1.916 -0.777 0.000) 2.067 4.304 ( 1.916 -0.777 0.000) 2.067 4.486 ( -0.929 -2.494 0.000) 2.662 4.486 ( 0.929 -2.494 0.000) 2.662 4.565 ( -0.684 2.536 0.000) 2.626 4.565 ( 0.684 2.536 0.000) 2.626 4.703 ( -0.020 5.018 0.000) 5.018 4.703 ( 0.020 5.018 0.000) 5.018 4.804 ( -0.808 1.751 0.000) 1.929 4.804 ( 0.808 1.751 0.000) 1.929 5.027 ( -0.404 -0.528 0.000) 0.664 5.027 ( 0.404 -0.528 0.000) 0.664 5.187 ( -1.747 7.289 0.000) 7.496 5.187 ( 1.747 7.289 0.000) 7.496 5.354 ( -3.633 -2.751 0.000) 4.557 5.354 ( 3.633 -2.751 0.000) 4.557 5.441 ( -2.019 -1.688 0.000) 2.631 5.441 ( 2.019 -1.688 0.000) 2.631 5.703 ( -0.335 -0.080 0.000) 0.344 5.703 ( 0.335 -0.080 0.000) 0.344 5.891 ( -2.749 -3.318 0.000) 4.308 5.891 ( 2.749 -3.318 0.000) 4.308 5.994 ( -3.370 -3.218 0.000) 4.660 5.994 ( 3.370 -3.218 0.000) 4.660 6.146 ( -0.607 -7.306 0.000) 7.332 6.146 ( 0.607 -7.306 0.000) 7.332 6.376 ( -2.726 -13.185 0.000) 13.464 6.376 ( 2.726 -13.185 0.000) 13.464 6.738 ( -2.860 -10.390 0.000) 10.776 6.738 ( 2.860 -10.390 0.000) 10.776 6.808 ( -6.488 -5.733 0.000) 8.658 6.808 ( 6.488 -5.733 0.000) 8.658 7.023 ( -0.760 12.824 0.000) 12.847 7.023 ( 0.760 12.824 0.000) 12.847 7.650 ( -0.935 12.212 0.000) 12.248 7.650 ( 0.935 12.212 0.000) 12.248 8.291 ( -2.352 4.840 0.000) 5.381 8.291 ( 2.352 4.840 0.000) 5.381 8.443 ( -3.086 -1.973 0.000) 3.663 8.443 ( 3.086 -1.973 0.000) 3.663 8.708 ( -1.446 -0.667 0.000) 1.592 8.708 ( 1.446 -0.667 0.000) 1.592 8.756 ( -0.093 8.610 0.000) 8.610 8.756 ( 0.093 8.610 0.000) 8.610 9.050 ( -0.256 0.184 0.000) 0.315 9.050 ( 0.256 0.184 0.000) 0.315 9.709 ( -1.650 4.631 0.000) 4.916 9.709 ( 1.650 4.631 0.000) 4.916 9.793 ( -0.596 1.225 0.000) 1.363 9.793 ( 0.596 1.225 0.000) 1.363 9.885 ( -0.940 0.444 0.000) 1.040 9.885 ( 0.940 0.444 0.000) 1.040 9.928 ( -2.791 2.333 0.000) 3.638 9.928 ( 2.791 2.333 0.000) 3.638 10.526 ( -0.118 1.806 0.000) 1.810 10.526 ( 0.118 1.806 0.000) 1.810 10.792 ( -0.327 -6.676 0.000) 6.684 10.792 ( 0.327 -6.676 0.000) 6.684 11.000 ( -0.338 6.584 0.000) 6.593 11.000 ( 0.338 6.584 0.000) 6.593 11.210 ( -14.443 24.152 0.000) 28.141 11.210 ( 14.443 24.152 0.000) 28.141 11.388 ( -0.187 6.522 0.000) 6.525 11.388 ( 0.187 6.522 0.000) 6.525 11.472 ( -1.766 0.466 0.000) 1.827 11.472 ( 1.766 0.466 0.000) 1.827 11.603 ( -0.425 -2.635 0.000) 2.670 11.603 ( 0.425 -2.635 0.000) 2.670 11.726 ( -1.030 -2.725 0.000) 2.913 11.726 ( 1.030 -2.725 0.000) 2.913 12.038 ( -0.543 0.610 0.000) 0.816 12.038 ( 0.543 0.610 0.000) 0.816 12.177 ( -0.034 6.537 0.000) 6.537 12.177 ( 0.034 6.537 0.000) 6.537 12.338 ( -0.167 -2.141 0.000) 2.148 12.338 ( 0.167 -2.141 0.000) 2.148 12.459 ( -3.061 -3.249 0.000) 4.464 12.459 ( 3.061 -3.249 0.000) 4.464 12.707 ( -1.345 -18.637 0.000) 18.686 12.707 ( 1.345 -18.637 0.000) 18.686 13.307 ( -0.668 1.733 0.000) 1.857 13.307 ( 0.668 1.733 0.000) 1.857 13.446 ( -0.712 -12.458 0.000) 12.478 13.446 ( 0.712 -12.458 0.000) 12.478 13.507 ( -1.552 -5.452 0.000) 5.669 13.507 ( 1.552 -5.452 0.000) 5.669 14.016 ( -0.611 -3.320 0.000) 3.376 14.016 ( 0.611 -3.320 0.000) 3.376 14.154 ( -0.438 -5.123 0.000) 5.142 14.154 ( 0.438 -5.123 0.000) 5.142 14.259 ( -0.599 3.145 0.000) 3.201 14.259 ( 0.599 3.145 0.000) 3.201 14.709 ( -0.642 6.742 0.000) 6.772 14.709 ( 0.642 6.742 0.000) 6.772 14.938 ( -0.363 -5.778 0.000) 5.789 14.938 ( 0.363 -5.778 0.000) 5.789 15.794 ( -0.650 10.938 0.000) 10.957 15.794 ( 0.650 10.938 0.000) 10.957 16.041 ( -3.525 10.199 0.000) 10.791 16.041 ( 3.525 10.199 0.000) 10.791 16.072 ( -2.026 5.916 0.000) 6.254 16.072 ( 2.026 5.916 0.000) 6.254 16.212 ( -1.235 7.103 0.000) 7.210 16.212 ( 1.235 7.103 0.000) 7.210 16.624 ( -2.774 -3.005 0.000) 4.090 16.624 ( 2.774 -3.005 0.000) 4.090 16.781 ( -1.515 -1.610 0.000) 2.210 16.781 ( 1.515 -1.610 0.000) 2.210 17.080 ( -3.492 -3.830 0.000) 5.184 17.080 ( 3.492 -3.830 0.000) 5.184 17.257 ( -1.163 -6.068 0.000) 6.178 17.257 ( 1.163 -6.068 0.000) 6.178 17.670 ( -2.322 7.531 0.000) 7.881 17.670 ( 2.322 7.531 0.000) 7.881 17.762 ( -3.852 4.840 0.000) 6.186 17.762 ( 3.852 4.840 0.000) 6.186 17.953 ( -2.940 14.484 0.000) 14.779 17.953 ( 2.940 14.484 0.000) 14.779 18.373 ( -2.243 -1.026 0.000) 2.467 18.373 ( 2.243 -1.026 0.000) 2.467 19.056 ( -3.166 -2.108 0.000) 3.804 19.056 ( 3.166 -2.108 0.000) 3.804 19.544 ( -1.235 3.870 0.000) 4.063 19.544 ( 1.235 3.870 0.000) 4.063 19.968 ( -3.815 -5.970 0.000) 7.085 19.968 ( 3.815 -5.970 0.000) 7.085 20.581 ( -2.715 -18.742 0.000) 18.937 20.581 ( 2.715 -18.742 0.000) 18.937 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 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| 0.800 ( 0.000 25.336 0.000) 25.336 1.475 ( 0.000 32.134 0.000) 32.134 1.861 ( 0.000 26.246 0.000) 26.246 1.909 ( 0.000 14.427 0.000) 14.427 1.995 ( 0.000 27.773 0.000) 27.773 2.354 ( 0.000 13.646 0.000) 13.646 2.582 ( 0.000 -3.230 0.000) 3.230 2.585 ( 0.000 20.629 0.000) 20.629 2.592 ( 0.000 1.535 0.000) 1.535 2.679 ( 0.000 42.632 0.000) 42.632 2.709 ( 0.000 20.899 0.000) 20.899 2.960 ( 0.000 9.128 0.000) 9.128 2.982 ( 0.000 5.057 0.000) 5.057 3.123 ( 0.000 7.239 0.000) 7.239 3.283 ( 0.000 11.841 0.000) 11.841 3.303 ( 0.000 11.767 0.000) 11.767 3.304 ( 0.000 6.338 0.000) 6.338 3.310 ( 0.000 -7.517 0.000) 7.517 3.328 ( 0.000 -3.421 0.000) 3.421 3.677 ( 0.000 -0.828 0.000) 0.828 3.749 ( 0.000 2.176 0.000) 2.176 3.755 ( 0.000 7.752 0.000) 7.752 3.811 ( 0.000 15.289 0.000) 15.289 3.912 ( 0.000 -6.065 0.000) 6.065 3.948 ( 0.000 6.637 0.000) 6.637 4.150 ( 0.000 8.798 0.000) 8.798 4.239 ( 0.000 -3.473 0.000) 3.473 4.299 ( 0.000 -2.786 0.000) 2.786 4.358 ( 0.000 3.231 0.000) 3.231 4.367 ( 0.000 2.216 0.000) 2.216 4.385 ( 0.000 1.455 0.000) 1.455 4.449 ( 0.000 -2.051 0.000) 2.051 4.541 ( 0.000 0.843 0.000) 0.843 4.657 ( 0.000 -4.531 0.000) 4.531 4.703 ( 0.000 -6.539 0.000) 6.539 4.771 ( 0.000 9.580 0.000) 9.580 4.785 ( 0.000 1.449 0.000) 1.449 4.791 ( 0.000 4.314 0.000) 4.314 4.967 ( 0.000 -0.758 0.000) 0.758 5.210 ( 0.000 0.082 0.000) 0.082 5.245 ( 0.000 0.458 0.000) 0.458 5.318 ( 0.000 11.198 0.000) 11.198 5.390 ( 0.000 8.098 0.000) 8.098 5.402 ( 0.000 -6.120 0.000) 6.120 5.449 ( 0.000 -15.169 0.000) 15.169 5.489 ( 0.000 1.248 0.000) 1.248 5.513 ( 0.000 -5.855 0.000) 5.855 5.600 ( 0.000 -2.408 0.000) 2.408 5.692 ( 0.000 -1.247 0.000) 1.247 5.755 ( 0.000 3.370 0.000) 3.370 5.852 ( 0.000 -5.756 0.000) 5.756 5.879 ( 0.000 -3.705 0.000) 3.705 5.960 ( 0.000 -4.173 0.000) 4.173 6.148 ( 0.000 -3.817 0.000) 3.817 6.198 ( 0.000 -9.024 0.000) 9.024 6.225 ( 0.000 2.289 0.000) 2.289 6.265 ( 0.000 -4.803 0.000) 4.803 6.486 ( 0.000 -6.083 0.000) 6.083 6.590 ( 0.000 -1.544 0.000) 1.544 6.820 ( 0.000 -7.791 0.000) 7.791 7.289 ( 0.000 13.477 0.000) 13.477 7.354 ( 0.000 17.856 0.000) 17.856 7.941 ( 0.000 16.490 0.000) 16.490 7.998 ( 0.000 16.574 0.000) 16.574 8.185 ( 0.000 -4.280 0.000) 4.280 8.446 ( 0.000 5.133 0.000) 5.133 8.447 ( 0.000 -0.624 0.000) 0.624 8.495 ( 0.000 0.512 0.000) 0.512 8.713 ( 0.000 4.766 0.000) 4.766 8.741 ( 0.000 5.509 0.000) 5.509 8.977 ( 0.000 8.745 0.000) 8.745 9.003 ( 0.000 11.138 0.000) 11.138 9.064 ( 0.000 4.460 0.000) 4.460 9.088 ( 0.000 5.612 0.000) 5.612 9.731 ( 0.000 4.966 0.000) 4.966 9.776 ( 0.000 1.587 0.000) 1.587 9.795 ( 0.000 -1.963 0.000) 1.963 9.860 ( 0.000 -0.044 0.000) 0.044 9.877 ( 0.000 1.013 0.000) 1.013 9.912 ( 0.000 8.210 0.000) 8.210 9.955 ( 0.000 7.005 0.000) 7.005 10.016 ( 0.000 2.581 0.000) 2.581 10.524 ( 0.000 -4.087 0.000) 4.087 10.532 ( 0.000 -4.121 0.000) 4.121 10.648 ( 0.000 -4.843 0.000) 4.843 10.657 ( 0.000 -3.509 0.000) 3.509 11.154 ( 0.000 8.369 0.000) 8.369 11.178 ( 0.000 9.485 0.000) 9.485 11.296 ( 0.000 15.438 0.000) 15.438 11.464 ( 0.000 2.616 0.000) 2.616 11.530 ( 0.000 4.493 0.000) 4.493 11.545 ( 0.000 -1.136 0.000) 1.136 11.559 ( 0.000 2.150 0.000) 2.150 11.613 ( 0.000 -2.898 0.000) 2.898 11.616 ( 0.000 11.337 0.000) 11.337 11.641 ( 0.000 7.280 0.000) 7.280 11.641 ( 0.000 -7.588 0.000) 7.588 11.943 ( 0.000 -4.231 0.000) 4.231 12.014 ( 0.000 -6.356 0.000) 6.356 12.180 ( 0.000 -15.209 0.000) 15.209 12.261 ( 0.000 -4.191 0.000) 4.191 12.269 ( 0.000 -18.494 0.000) 18.494 12.270 ( 0.000 0.796 0.000) 0.796 12.319 ( 0.000 3.261 0.000) 3.261 12.322 ( 0.000 -6.378 0.000) 6.378 12.333 ( 0.000 0.218 0.000) 0.218 12.440 ( 0.000 -6.252 0.000) 6.252 12.454 ( 0.000 -2.098 0.000) 2.098 13.012 ( 0.000 -20.102 0.000) 20.102 13.051 ( 0.000 -18.832 0.000) 18.832 13.233 ( 0.000 -6.664 0.000) 6.664 13.327 ( 0.000 -6.186 0.000) 6.186 13.445 ( 0.000 4.649 0.000) 4.649 13.592 ( 0.000 -0.076 0.000) 0.076 13.910 ( 0.000 -8.204 0.000) 8.204 13.914 ( 0.000 -8.835 0.000) 8.835 13.983 ( 0.000 -2.044 0.000) 2.044 14.012 ( 0.000 -1.953 0.000) 1.953 14.377 ( 0.000 1.918 0.000) 1.918 14.432 ( 0.000 10.002 0.000) 10.002 14.510 ( 0.000 -5.747 0.000) 5.747 14.745 ( 0.000 -11.977 0.000) 11.977 14.871 ( 0.000 3.820 0.000) 3.820 14.873 ( 0.000 -2.087 0.000) 2.087 16.025 ( 0.000 9.450 0.000) 9.450 16.060 ( 0.000 14.719 0.000) 14.719 16.121 ( 0.000 5.899 0.000) 5.899 16.135 ( 0.000 5.262 0.000) 5.262 16.210 ( 0.000 6.221 0.000) 6.221 16.325 ( 0.000 5.051 0.000) 5.051 16.472 ( 0.000 -0.902 0.000) 0.902 16.512 ( 0.000 11.931 0.000) 11.931 16.619 ( 0.000 -7.936 0.000) 7.936 16.630 ( 0.000 0.563 0.000) 0.563 16.645 ( 0.000 -4.355 0.000) 4.355 16.757 ( 0.000 -1.026 0.000) 1.026 16.984 ( 0.000 3.841 0.000) 3.841 17.089 ( 0.000 -4.696 0.000) 4.696 17.174 ( 0.000 -2.211 0.000) 2.211 17.199 ( 0.000 -2.931 0.000) 2.931 17.763 ( 0.000 -2.996 0.000) 2.996 17.806 ( 0.000 -2.964 0.000) 2.964 17.908 ( 0.000 2.987 0.000) 2.987 17.921 ( 0.000 10.067 0.000) 10.067 18.042 ( 0.000 17.217 0.000) 17.217 18.348 ( 0.000 2.008 0.000) 2.008 18.356 ( 0.000 -3.572 0.000) 3.572 18.442 ( 0.000 18.054 0.000) 18.054 18.937 ( 0.000 -1.837 0.000) 1.837 19.036 ( 0.000 -4.490 0.000) 4.490 19.522 ( 0.000 0.525 0.000) 0.525 19.686 ( 0.000 6.292 0.000) 6.292 19.780 ( 0.000 -22.774 0.000) 22.774 19.982 ( 0.000 -1.354 0.000) 1.354 20.067 ( 0.000 -1.896 0.000) 1.896 20.314 ( 0.000 -12.264 0.000) 12.264 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 37.917 9.554 0.000) 39.102 1.546 ( 6.064 27.855 0.000) 28.507 1.865 ( -5.291 18.210 0.000) 18.963 1.871 ( 1.254 27.240 0.000) 27.269 2.032 ( 5.264 25.979 0.000) 26.507 2.316 ( -3.713 11.634 0.000) 12.212 2.374 ( -7.114 6.660 0.000) 9.745 2.537 ( -3.931 10.369 0.000) 11.089 2.649 ( -2.178 34.393 0.000) 34.462 2.683 ( -0.258 32.130 0.000) 32.131 2.815 ( 6.341 -0.189 0.000) 6.344 2.930 ( 0.578 6.209 0.000) 6.236 2.986 ( 0.033 4.990 0.000) 4.990 3.162 ( 2.300 14.546 0.000) 14.727 3.229 ( -4.713 4.437 0.000) 6.473 3.284 ( -1.008 12.712 0.000) 12.752 3.296 ( -0.105 -4.242 0.000) 4.243 3.369 ( 4.095 1.955 0.000) 4.537 3.396 ( 2.441 2.370 0.000) 3.402 3.572 ( -8.128 -0.021 0.000) 8.128 3.685 ( -5.844 12.109 0.000) 13.445 3.729 ( -12.101 -0.912 0.000) 12.135 3.805 ( 1.178 5.379 0.000) 5.506 3.814 ( -3.435 8.192 0.000) 8.883 3.977 ( 1.570 0.711 0.000) 1.724 4.146 ( -1.461 10.222 0.000) 10.326 4.147 ( 3.191 2.580 0.000) 4.104 4.285 ( -0.873 -5.147 0.000) 5.221 4.312 ( -2.030 0.948 0.000) 2.240 4.379 ( -1.309 1.778 0.000) 2.208 4.405 ( 0.194 2.787 0.000) 2.794 4.426 ( -2.351 -2.490 0.000) 3.425 4.582 ( 3.518 1.103 0.000) 3.687 4.674 ( 1.430 -4.928 0.000) 5.131 4.704 ( -1.134 2.024 0.000) 2.319 4.732 ( -0.335 -1.591 0.000) 1.626 4.798 ( 0.872 2.638 0.000) 2.778 4.822 ( -0.019 5.454 0.000) 5.454 5.005 ( 3.670 0.600 0.000) 3.718 5.181 ( -0.473 -2.771 0.000) 2.811 5.198 ( -2.997 4.956 0.000) 5.792 5.286 ( -2.581 -0.061 0.000) 2.582 5.381 ( -0.135 -3.395 0.000) 3.398 5.398 ( 0.643 7.010 0.000) 7.040 5.457 ( -2.577 -3.508 0.000) 4.353 5.488 ( -1.057 4.989 0.000) 5.099 5.627 ( 1.759 -1.141 0.000) 2.097 5.647 ( 7.566 -9.108 0.000) 11.841 5.719 ( 4.002 -3.145 0.000) 5.089 5.780 ( 1.577 -0.152 0.000) 1.585 5.812 ( -1.538 -6.764 0.000) 6.936 5.956 ( 3.555 -2.977 0.000) 4.637 5.985 ( 2.464 -3.796 0.000) 4.526 6.042 ( -6.861 -4.162 0.000) 8.025 6.148 ( -0.468 -4.608 0.000) 4.632 6.184 ( -1.286 -8.969 0.000) 9.061 6.474 ( 9.454 -4.188 0.000) 10.340 6.536 ( 4.077 -6.468 0.000) 7.645 6.589 ( -0.001 -2.350 0.000) 2.350 6.779 ( -3.822 -7.358 0.000) 8.292 7.300 ( 0.899 13.992 0.000) 14.020 7.345 ( -0.785 17.097 0.000) 17.115 7.945 ( 0.428 16.348 0.000) 16.354 7.986 ( -1.010 16.425 0.000) 16.456 8.224 ( 3.492 -4.217 0.000) 5.475 8.411 ( -3.295 -2.547 0.000) 4.164 8.446 ( 0.130 4.912 0.000) 4.913 8.479 ( -1.173 2.529 0.000) 2.787 8.732 ( 1.290 4.117 0.000) 4.315 8.747 ( 0.412 4.963 0.000) 4.980 8.981 ( 0.387 8.971 0.000) 8.979 8.999 ( -0.283 10.638 0.000) 10.642 9.067 ( 0.285 4.825 0.000) 4.833 9.084 ( -0.386 5.664 0.000) 5.677 9.752 ( 1.267 0.977 0.000) 1.600 9.788 ( -0.598 -1.766 0.000) 1.865 9.796 ( 2.108 5.357 0.000) 5.757 9.867 ( 0.449 0.150 0.000) 0.474 9.878 ( 0.033 0.826 0.000) 0.827 9.898 ( -1.278 8.132 0.000) 8.232 9.971 ( 1.295 5.799 0.000) 5.942 10.014 ( -0.267 2.623 0.000) 2.637 10.526 ( 0.175 -4.219 0.000) 4.223 10.532 ( -0.005 -4.232 0.000) 4.232 10.647 ( -0.070 -4.561 0.000) 4.562 10.653 ( -0.307 -3.586 0.000) 3.599 11.154 ( 0.152 8.568 0.000) 8.570 11.173 ( -0.458 9.323 0.000) 9.334 11.368 ( 6.383 13.179 0.000) 14.643 11.473 ( 1.362 4.097 0.000) 4.318 11.517 ( -2.079 1.297 0.000) 2.450 11.548 ( 1.536 5.153 0.000) 5.377 11.564 ( 0.183 -1.621 0.000) 1.631 11.594 ( -0.820 6.828 0.000) 6.877 11.605 ( -1.579 1.048 0.000) 1.895 11.635 ( 0.891 2.433 0.000) 2.591 11.661 ( 0.306 -0.709 0.000) 0.772 11.962 ( 1.646 -4.234 0.000) 4.543 11.972 ( -6.288 -5.441 0.000) 8.315 12.140 ( -12.446 5.964 0.000) 13.801 12.193 ( 0.674 -14.485 0.000) 14.500 12.250 ( -1.364 -14.531 0.000) 14.595 12.268 ( 0.456 -3.799 0.000) 3.827 12.297 ( -0.891 -3.650 0.000) 3.757 12.323 ( 0.142 -2.123 0.000) 2.128 12.337 ( -1.910 0.339 0.000) 1.940 12.384 ( 1.455 -3.405 0.000) 3.702 12.440 ( -0.224 -4.682 0.000) 4.687 13.018 ( 0.487 -19.746 0.000) 19.752 13.045 ( -0.511 -18.814 0.000) 18.821 13.259 ( 2.279 -6.817 0.000) 7.188 13.341 ( 0.723 -8.978 0.000) 9.007 13.429 ( -0.711 6.477 0.000) 6.515 13.545 ( -3.744 0.598 0.000) 3.791 13.919 ( 0.657 -7.495 0.000) 7.524 13.927 ( 0.555 -7.308 0.000) 7.329 13.978 ( 0.262 -3.275 0.000) 3.286 14.007 ( -0.439 -2.632 0.000) 2.668 14.398 ( 1.181 5.689 0.000) 5.811 14.429 ( -0.301 9.602 0.000) 9.607 14.573 ( 4.859 -9.171 0.000) 10.378 14.726 ( -1.739 -11.110 0.000) 11.246 14.874 ( 0.235 2.374 0.000) 2.386 14.875 ( 0.162 -1.546 0.000) 1.554 16.033 ( 0.656 10.066 0.000) 10.087 16.058 ( -0.234 13.668 0.000) 13.670 16.136 ( 1.093 5.091 0.000) 5.207 16.159 ( 2.418 6.320 0.000) 6.767 16.197 ( -1.198 5.816 0.000) 5.938 16.320 ( -1.625 1.843 0.000) 2.456 16.446 ( -2.091 9.185 0.000) 9.420 16.482 ( -2.271 9.367 0.000) 9.638 16.559 ( -1.942 -1.322 0.000) 2.350 16.609 ( -1.031 -1.734 0.000) 2.018 16.683 ( 1.419 -3.442 0.000) 3.723 16.739 ( -1.395 -3.209 0.000) 3.500 16.994 ( 0.964 2.162 0.000) 2.367 17.069 ( -1.861 -3.171 0.000) 3.677 17.168 ( 0.110 -2.201 0.000) 2.203 17.202 ( -0.165 -2.073 0.000) 2.080 17.694 ( -2.297 -2.095 0.000) 3.108 17.767 ( -2.851 2.078 0.000) 3.528 17.948 ( 2.502 4.209 0.000) 4.897 18.026 ( -0.350 16.997 0.000) 17.000 18.074 ( 8.900 9.346 0.000) 12.906 18.347 ( -0.115 1.246 0.000) 1.251 18.351 ( -0.368 -1.802 0.000) 1.839 18.400 ( -4.022 15.492 0.000) 16.006 18.961 ( 1.915 -1.789 0.000) 2.621 19.030 ( -0.682 -3.730 0.000) 3.792 19.555 ( 2.867 -0.930 0.000) 3.014 19.674 ( -1.299 5.046 0.000) 5.210 19.763 ( -1.157 -20.116 0.000) 20.150 19.850 ( -6.552 -1.130 0.000) 6.649 20.159 ( 4.111 -8.366 0.000) 9.322 20.289 ( -2.159 -12.382 0.000) 12.569 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -6.476 18.555 0.000) 19.653 1.693 ( 6.476 18.555 0.000) 19.653 1.907 ( -1.271 26.932 0.000) 26.962 1.907 ( 1.271 26.932 0.000) 26.962 2.168 ( -9.830 8.077 0.000) 12.723 2.168 ( 9.830 8.077 0.000) 12.723 2.435 ( -8.250 5.367 0.000) 9.842 2.435 ( 8.250 5.367 0.000) 9.842 2.641 ( -3.036 37.258 0.000) 37.382 2.641 ( 3.036 37.258 0.000) 37.382 2.952 ( -6.452 -0.633 0.000) 6.483 2.952 ( 6.452 -0.633 0.000) 6.483 3.000 ( -9.742 4.193 0.000) 10.606 3.000 ( 9.742 4.193 0.000) 10.606 3.221 ( -3.140 14.152 0.000) 14.496 3.221 ( 3.140 14.152 0.000) 14.496 3.335 ( -4.633 6.897 0.000) 8.309 3.335 ( 4.633 6.897 0.000) 8.309 3.436 ( -2.123 -1.281 0.000) 2.479 3.436 ( 2.123 -1.281 0.000) 2.479 3.583 ( -2.015 9.492 0.000) 9.704 3.583 ( 2.015 9.492 0.000) 9.704 3.828 ( -0.050 5.788 0.000) 5.788 3.828 ( 0.050 5.788 0.000) 5.788 4.063 ( -5.518 4.498 0.000) 7.119 4.063 ( 5.518 4.498 0.000) 7.119 4.242 ( -2.826 3.342 0.000) 4.376 4.242 ( 2.826 3.342 0.000) 4.376 4.344 ( -3.134 -9.224 0.000) 9.742 4.344 ( 3.134 -9.224 0.000) 9.742 4.381 ( -1.097 5.316 0.000) 5.428 4.381 ( 1.097 5.316 0.000) 5.428 4.660 ( -2.981 4.596 0.000) 5.478 4.660 ( 2.981 4.596 0.000) 5.478 4.711 ( -1.885 -7.679 0.000) 7.907 4.711 ( 1.885 -7.679 0.000) 7.907 4.812 ( -0.430 4.388 0.000) 4.409 4.812 ( 0.430 4.388 0.000) 4.409 5.103 ( -4.890 4.670 0.000) 6.762 5.103 ( 4.890 4.670 0.000) 6.762 5.218 ( -3.124 -2.860 0.000) 4.235 5.218 ( 3.124 -2.860 0.000) 4.235 5.412 ( -1.989 -0.545 0.000) 2.063 5.412 ( 1.989 -0.545 0.000) 2.063 5.433 ( -3.172 5.769 0.000) 6.583 5.433 ( 3.172 5.769 0.000) 6.583 5.668 ( -1.533 -1.754 0.000) 2.330 5.668 ( 1.533 -1.754 0.000) 2.330 5.794 ( -0.346 -5.544 0.000) 5.555 5.794 ( 0.346 -5.544 0.000) 5.555 5.877 ( -7.131 -5.698 0.000) 9.128 5.877 ( 7.131 -5.698 0.000) 9.128 6.026 ( -0.076 -3.877 0.000) 3.878 6.026 ( 0.076 -3.877 0.000) 3.878 6.154 ( -1.091 -8.050 0.000) 8.123 6.154 ( 1.091 -8.050 0.000) 8.123 6.580 ( -1.463 -4.553 0.000) 4.782 6.580 ( 1.463 -4.553 0.000) 4.782 6.665 ( -6.654 -6.699 0.000) 9.442 6.665 ( 6.654 -6.699 0.000) 9.442 7.323 ( -1.197 15.425 0.000) 15.472 7.323 ( 1.197 15.425 0.000) 15.472 7.962 ( -1.108 16.243 0.000) 16.281 7.962 ( 1.108 16.243 0.000) 16.281 8.319 ( -4.908 -3.895 0.000) 6.266 8.319 ( 4.908 -3.895 0.000) 6.266 8.456 ( -0.853 4.192 0.000) 4.278 8.456 ( 0.853 4.192 0.000) 4.278 8.750 ( -0.282 4.012 0.000) 4.022 8.750 ( 0.282 4.012 0.000) 4.022 8.991 ( -0.473 9.672 0.000) 9.684 8.991 ( 0.473 9.672 0.000) 9.684 9.075 ( -0.417 5.438 0.000) 5.454 9.075 ( 0.417 5.438 0.000) 5.454 9.773 ( -0.799 -1.493 0.000) 1.693 9.773 ( 0.799 -1.493 0.000) 1.693 9.853 ( -2.518 7.597 0.000) 8.004 9.853 ( 2.518 7.597 0.000) 8.004 9.877 ( -0.059 0.714 0.000) 0.716 9.877 ( 0.059 0.714 0.000) 0.716 10.000 ( -1.158 3.621 0.000) 3.801 10.000 ( 1.158 3.621 0.000) 3.801 10.530 ( -0.179 -4.366 0.000) 4.370 10.530 ( 0.179 -4.366 0.000) 4.370 10.647 ( -0.151 -3.953 0.000) 3.956 10.647 ( 0.151 -3.953 0.000) 3.956 11.162 ( -0.498 8.935 0.000) 8.948 11.162 ( 0.498 8.935 0.000) 8.948 11.469 ( -2.346 1.059 0.000) 2.573 11.469 ( 2.346 1.059 0.000) 2.573 11.558 ( -1.989 2.464 0.000) 3.166 11.558 ( 1.989 2.464 0.000) 3.166 11.582 ( -0.201 4.704 0.000) 4.708 11.582 ( 0.201 4.704 0.000) 4.708 11.642 ( -3.709 6.512 0.000) 7.494 11.642 ( 3.709 6.512 0.000) 7.494 11.681 ( -9.947 6.066 0.000) 11.651 11.681 ( 9.947 6.066 0.000) 11.651 12.008 ( -2.665 -2.850 0.000) 3.901 12.008 ( 2.665 -2.850 0.000) 3.901 12.219 ( -1.420 -13.444 0.000) 13.519 12.219 ( 1.420 -13.444 0.000) 13.519 12.281 ( -0.698 -3.106 0.000) 3.183 12.281 ( 0.698 -3.106 0.000) 3.183 12.324 ( -0.016 -4.582 0.000) 4.582 12.324 ( 0.016 -4.582 0.000) 4.582 12.423 ( -1.457 -2.501 0.000) 2.894 12.423 ( 1.457 -2.501 0.000) 2.894 13.031 ( -0.712 -19.114 0.000) 19.128 13.031 ( 0.712 -19.114 0.000) 19.128 13.317 ( -2.664 -8.119 0.000) 8.544 13.317 ( 2.664 -8.119 0.000) 8.544 13.461 ( -3.505 3.602 0.000) 5.026 13.461 ( 3.505 3.602 0.000) 5.026 13.929 ( -0.210 -6.135 0.000) 6.139 13.929 ( 0.210 -6.135 0.000) 6.139 13.994 ( -0.784 -4.150 0.000) 4.224 13.994 ( 0.784 -4.150 0.000) 4.224 14.418 ( -0.696 8.343 0.000) 8.372 14.418 ( 0.696 8.343 0.000) 8.372 14.669 ( -3.682 -10.249 0.000) 10.890 14.669 ( 3.682 -10.249 0.000) 10.890 14.877 ( -0.036 0.005 0.000) 0.036 14.877 ( 0.036 0.005 0.000) 0.036 16.048 ( -0.674 11.758 0.000) 11.778 16.048 ( 0.674 11.758 0.000) 11.778 16.165 ( -1.592 5.246 0.000) 5.483 16.165 ( 1.592 5.246 0.000) 5.483 16.236 ( -4.692 4.491 0.000) 6.495 16.236 ( 4.692 4.491 0.000) 6.495 16.439 ( -1.347 10.368 0.000) 10.456 16.439 ( 1.347 10.368 0.000) 10.456 16.573 ( -2.080 1.863 0.000) 2.793 16.573 ( 2.080 1.863 0.000) 2.793 16.710 ( -1.251 -5.122 0.000) 5.272 16.710 ( 1.251 -5.122 0.000) 5.272 17.025 ( -1.890 -0.694 0.000) 2.014 17.025 ( 1.890 -0.694 0.000) 2.014 17.184 ( -1.174 -1.847 0.000) 2.189 17.184 ( 1.174 -1.847 0.000) 2.189 17.704 ( -2.527 -0.395 0.000) 2.557 17.704 ( 2.527 -0.395 0.000) 2.557 17.995 ( -1.918 12.706 0.000) 12.850 17.995 ( 1.918 12.706 0.000) 12.850 18.267 ( -8.088 12.942 0.000) 15.261 18.267 ( 8.088 12.942 0.000) 15.261 18.346 ( -0.151 -0.873 0.000) 0.886 18.346 ( 0.151 -0.873 0.000) 0.886 19.004 ( -1.784 -2.309 0.000) 2.917 19.004 ( 1.784 -2.309 0.000) 2.917 19.625 ( -3.175 -0.435 0.000) 3.204 19.625 ( 3.175 -0.435 0.000) 3.204 19.761 ( -1.692 -9.637 0.000) 9.784 19.761 ( 1.692 -9.637 0.000) 9.784 20.232 ( -3.010 -11.848 0.000) 12.224 20.232 ( 3.010 -11.848 0.000) 12.224 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 26.675 0.000) 26.675 2.054 ( 0.000 22.245 0.000) 22.245 2.136 ( 0.000 4.453 0.000) 4.453 2.306 ( 0.000 14.959 0.000) 14.959 2.364 ( 0.000 -3.123 0.000) 3.123 2.498 ( 0.000 -4.635 0.000) 4.635 2.626 ( 0.000 14.162 0.000) 14.162 2.630 ( 0.000 2.521 0.000) 2.521 2.636 ( 0.000 16.740 0.000) 16.740 3.047 ( 0.000 0.557 0.000) 0.557 3.071 ( 0.000 3.622 0.000) 3.622 3.171 ( 0.000 -2.011 0.000) 2.011 3.200 ( 0.000 -4.054 0.000) 4.054 3.276 ( 0.000 -2.331 0.000) 2.331 3.313 ( 0.000 18.105 0.000) 18.105 3.531 ( 0.000 10.634 0.000) 10.634 3.546 ( 0.000 9.423 0.000) 9.423 3.585 ( 0.000 -12.477 0.000) 12.477 3.598 ( 0.000 30.461 0.000) 30.461 3.611 ( 0.000 27.933 0.000) 27.933 3.627 ( 0.000 -12.737 0.000) 12.737 3.741 ( 0.000 6.493 0.000) 6.493 3.895 ( 0.000 5.368 0.000) 5.368 4.067 ( 0.000 -12.406 0.000) 12.406 4.078 ( 0.000 10.150 0.000) 10.150 4.155 ( 0.000 1.430 0.000) 1.430 4.234 ( 0.000 4.227 0.000) 4.227 4.319 ( 0.000 -5.760 0.000) 5.760 4.342 ( 0.000 0.711 0.000) 0.711 4.384 ( 0.000 -0.595 0.000) 0.595 4.424 ( 0.000 0.096 0.000) 0.096 4.511 ( 0.000 5.707 0.000) 5.707 4.541 ( 0.000 -4.984 0.000) 4.984 4.586 ( 0.000 5.645 0.000) 5.645 4.641 ( 0.000 5.034 0.000) 5.034 4.827 ( 0.000 -1.760 0.000) 1.760 4.864 ( 0.000 2.360 0.000) 2.360 4.942 ( 0.000 5.807 0.000) 5.807 4.959 ( 0.000 0.365 0.000) 0.365 5.126 ( 0.000 -10.341 0.000) 10.341 5.166 ( 0.000 -10.233 0.000) 10.233 5.242 ( 0.000 -8.316 0.000) 8.316 5.321 ( 0.000 -6.089 0.000) 6.089 5.336 ( 0.000 6.712 0.000) 6.712 5.394 ( 0.000 -4.978 0.000) 4.978 5.506 ( 0.000 6.828 0.000) 6.828 5.514 ( 0.000 4.752 0.000) 4.752 5.662 ( 0.000 -2.348 0.000) 2.348 5.735 ( 0.000 5.496 0.000) 5.496 5.775 ( 0.000 -1.373 0.000) 1.373 5.792 ( 0.000 -10.919 0.000) 10.919 5.827 ( 0.000 -0.563 0.000) 0.563 5.873 ( 0.000 6.990 0.000) 6.990 6.075 ( 0.000 -3.579 0.000) 3.579 6.095 ( 0.000 -2.015 0.000) 2.015 6.119 ( 0.000 -6.935 0.000) 6.935 6.294 ( 0.000 3.983 0.000) 3.983 6.415 ( 0.000 -1.813 0.000) 1.813 6.575 ( 0.000 0.247 0.000) 0.247 6.682 ( 0.000 -5.257 0.000) 5.257 7.583 ( 0.000 14.219 0.000) 14.219 7.727 ( 0.000 17.458 0.000) 17.458 8.060 ( 0.000 -7.714 0.000) 7.714 8.262 ( 0.000 13.325 0.000) 13.325 8.312 ( 0.000 -9.464 0.000) 9.464 8.317 ( 0.000 13.081 0.000) 13.081 8.537 ( 0.000 2.518 0.000) 2.518 8.541 ( 0.000 0.289 0.000) 0.289 8.820 ( 0.000 5.197 0.000) 5.197 8.855 ( 0.000 5.266 0.000) 5.266 8.999 ( 0.000 -2.327 0.000) 2.327 9.026 ( 0.000 -1.939 0.000) 1.939 9.353 ( 0.000 14.467 0.000) 14.467 9.359 ( 0.000 14.224 0.000) 14.224 9.692 ( 0.000 -3.869 0.000) 3.869 9.720 ( 0.000 -4.879 0.000) 4.879 9.921 ( 0.000 6.170 0.000) 6.170 9.939 ( 0.000 4.944 0.000) 4.944 9.968 ( 0.000 9.918 0.000) 9.918 10.073 ( 0.000 4.995 0.000) 4.995 10.084 ( 0.000 4.288 0.000) 4.288 10.092 ( 0.000 6.583 0.000) 6.583 10.349 ( 0.000 -9.995 0.000) 9.995 10.362 ( 0.000 -8.808 0.000) 8.808 10.668 ( 0.000 5.974 0.000) 5.974 10.677 ( 0.000 5.308 0.000) 5.308 11.298 ( 0.000 -15.201 0.000) 15.201 11.343 ( 0.000 9.429 0.000) 9.429 11.367 ( 0.000 -16.657 0.000) 16.657 11.386 ( 0.000 9.886 0.000) 9.886 11.529 ( 0.000 1.331 0.000) 1.331 11.587 ( 0.000 2.533 0.000) 2.533 11.609 ( 0.000 0.079 0.000) 0.079 11.643 ( 0.000 5.269 0.000) 5.269 11.652 ( 0.000 9.871 0.000) 9.871 11.754 ( 0.000 -12.024 0.000) 12.024 11.799 ( 0.000 -11.568 0.000) 11.568 11.804 ( 0.000 3.890 0.000) 3.890 11.814 ( 0.000 3.888 0.000) 3.888 11.948 ( 0.000 -3.690 0.000) 3.690 12.024 ( 0.000 -2.288 0.000) 2.288 12.127 ( 0.000 -7.710 0.000) 7.710 12.182 ( 0.000 -7.065 0.000) 7.065 12.197 ( 0.000 -8.676 0.000) 8.676 12.289 ( 0.000 -6.069 0.000) 6.069 12.365 ( 0.000 1.012 0.000) 1.012 12.394 ( 0.000 5.274 0.000) 5.274 12.461 ( 0.000 1.194 0.000) 1.194 12.684 ( 0.000 -7.686 0.000) 7.686 12.743 ( 0.000 -7.875 0.000) 7.875 13.046 ( 0.000 -11.199 0.000) 11.199 13.090 ( 0.000 -13.880 0.000) 13.880 13.653 ( 0.000 7.147 0.000) 7.147 13.671 ( 0.000 13.552 0.000) 13.552 13.814 ( 0.000 -0.973 0.000) 0.973 13.818 ( 0.000 -0.466 0.000) 0.466 13.934 ( 0.000 -2.984 0.000) 2.984 13.974 ( 0.000 -1.137 0.000) 1.137 14.185 ( 0.000 -14.093 0.000) 14.093 14.445 ( 0.000 -15.923 0.000) 15.923 14.584 ( 0.000 6.801 0.000) 6.801 14.636 ( 0.000 8.884 0.000) 8.884 14.814 ( 0.000 -3.678 0.000) 3.678 14.885 ( 0.000 -2.054 0.000) 2.054 16.165 ( 0.000 3.860 0.000) 3.860 16.207 ( 0.000 2.610 0.000) 2.610 16.240 ( 0.000 4.780 0.000) 4.780 16.281 ( 0.000 -4.298 0.000) 4.298 16.303 ( 0.000 4.412 0.000) 4.412 16.320 ( 0.000 4.265 0.000) 4.265 16.521 ( 0.000 -5.994 0.000) 5.994 16.528 ( 0.000 -4.790 0.000) 4.790 16.551 ( 0.000 5.539 0.000) 5.539 16.631 ( 0.000 9.078 0.000) 9.078 16.702 ( 0.000 6.198 0.000) 6.198 16.873 ( 0.000 3.099 0.000) 3.099 17.019 ( 0.000 -2.922 0.000) 2.922 17.075 ( 0.000 4.298 0.000) 4.298 17.098 ( 0.000 -4.936 0.000) 4.936 17.164 ( 0.000 -0.258 0.000) 0.258 17.770 ( 0.000 0.117 0.000) 0.117 17.784 ( 0.000 7.215 0.000) 7.215 17.913 ( 0.000 -3.134 0.000) 3.134 18.058 ( 0.000 2.554 0.000) 2.554 18.359 ( 0.000 4.692 0.000) 4.692 18.390 ( 0.000 11.389 0.000) 11.389 18.451 ( 0.000 11.946 0.000) 11.946 18.651 ( 0.000 -1.132 0.000) 1.132 18.862 ( 0.000 -6.146 0.000) 6.146 19.056 ( 0.000 9.287 0.000) 9.287 19.218 ( 0.000 -27.890 0.000) 27.890 19.479 ( 0.000 -5.195 0.000) 5.195 19.826 ( 0.000 6.871 0.000) 6.871 19.969 ( 0.000 0.251 0.000) 0.251 20.027 ( 0.000 -1.890 0.000) 1.890 20.118 ( 0.000 -7.618 0.000) 7.618 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 21.883 14.298 0.000) 26.140 2.028 ( -2.176 17.607 0.000) 17.741 2.083 ( -4.921 0.033 0.000) 4.921 2.356 ( 3.486 12.769 0.000) 13.236 2.390 ( 9.711 7.657 0.000) 12.366 2.458 ( -9.434 9.193 0.000) 13.172 2.609 ( 0.083 21.137 0.000) 21.137 2.710 ( 2.139 12.207 0.000) 12.393 2.738 ( 10.398 -4.654 0.000) 11.392 2.954 ( -4.933 5.481 0.000) 7.374 3.031 ( -5.237 2.800 0.000) 5.939 3.183 ( 1.261 -4.801 0.000) 4.964 3.199 ( -4.181 -4.805 0.000) 6.369 3.239 ( 0.878 -2.463 0.000) 2.615 3.326 ( 0.241 6.999 0.000) 7.003 3.461 ( -9.829 -4.696 0.000) 10.893 3.505 ( -1.396 20.610 0.000) 20.657 3.518 ( -1.095 12.142 0.000) 12.191 3.587 ( -0.266 25.522 0.000) 25.524 3.655 ( 5.013 -5.994 0.000) 7.814 3.668 ( -1.925 6.827 0.000) 7.094 3.797 ( 0.744 7.744 0.000) 7.780 3.842 ( 0.457 6.364 0.000) 6.380 4.003 ( -5.033 12.319 0.000) 13.307 4.057 ( -0.986 -13.109 0.000) 13.146 4.077 ( -5.390 1.269 0.000) 5.537 4.279 ( 4.124 4.088 0.000) 5.807 4.306 ( -2.995 2.197 0.000) 3.714 4.320 ( -3.213 1.363 0.000) 3.490 4.354 ( 2.421 -5.268 0.000) 5.797 4.433 ( -0.342 -3.697 0.000) 3.712 4.488 ( -2.106 5.814 0.000) 6.184 4.598 ( 3.145 0.033 0.000) 3.145 4.608 ( 0.879 5.826 0.000) 5.892 4.671 ( 3.271 4.740 0.000) 5.760 4.831 ( -1.358 3.594 0.000) 3.842 4.877 ( 0.796 2.115 0.000) 2.260 4.904 ( -2.253 2.280 0.000) 3.206 4.995 ( 3.203 -1.897 0.000) 3.723 5.117 ( -0.919 -10.317 0.000) 10.358 5.124 ( 0.934 -4.171 0.000) 4.274 5.254 ( 1.606 -7.637 0.000) 7.804 5.269 ( -4.116 -2.559 0.000) 4.846 5.368 ( -2.080 -5.169 0.000) 5.571 5.452 ( 3.308 0.906 0.000) 3.430 5.530 ( 1.150 3.286 0.000) 3.482 5.583 ( 7.891 3.031 0.000) 8.453 5.671 ( 0.607 -3.198 0.000) 3.255 5.694 ( -3.146 -0.840 0.000) 3.257 5.755 ( 0.125 4.709 0.000) 4.711 5.782 ( -0.612 -4.033 0.000) 4.079 5.905 ( 3.756 -2.368 0.000) 4.440 5.912 ( 3.134 1.383 0.000) 3.426 5.979 ( -7.856 -1.222 0.000) 7.951 6.063 ( -1.138 -3.337 0.000) 3.526 6.072 ( -2.277 -3.252 0.000) 3.970 6.416 ( 7.443 -0.845 0.000) 7.491 6.460 ( 3.428 -1.642 0.000) 3.800 6.564 ( -1.067 -0.103 0.000) 1.072 6.651 ( -2.923 -4.693 0.000) 5.529 7.603 ( 1.806 14.664 0.000) 14.774 7.705 ( -1.930 16.935 0.000) 17.044 8.096 ( 3.216 -7.953 0.000) 8.579 8.257 ( -0.952 7.438 0.000) 7.499 8.280 ( -2.159 -3.457 0.000) 4.076 8.304 ( -1.147 12.993 0.000) 13.044 8.531 ( -0.417 2.142 0.000) 2.182 8.534 ( -0.523 0.523 0.000) 0.740 8.831 ( 0.864 5.048 0.000) 5.122 8.854 ( -0.119 5.141 0.000) 5.142 9.005 ( 0.482 -2.156 0.000) 2.209 9.024 ( -0.242 -1.922 0.000) 1.937 9.354 ( 0.119 14.447 0.000) 14.447 9.359 ( -0.055 14.271 0.000) 14.271 9.696 ( 0.304 -4.028 0.000) 4.039 9.715 ( -0.406 -4.724 0.000) 4.742 9.927 ( 0.449 5.932 0.000) 5.949 9.939 ( -0.064 5.086 0.000) 5.086 9.994 ( 2.206 9.168 0.000) 9.430 10.071 ( -0.294 5.333 0.000) 5.341 10.083 ( -0.071 4.311 0.000) 4.312 10.086 ( -0.526 6.363 0.000) 6.385 10.349 ( 0.087 -9.844 0.000) 9.844 10.359 ( -0.254 -8.952 0.000) 8.955 10.670 ( 0.191 6.060 0.000) 6.063 10.677 ( -0.078 5.572 0.000) 5.572 11.315 ( 1.483 -14.288 0.000) 14.365 11.346 ( 0.399 7.976 0.000) 7.986 11.365 ( -0.464 -8.678 0.000) 8.690 11.382 ( -0.323 1.281 0.000) 1.321 11.521 ( -0.517 1.284 0.000) 1.384 11.566 ( -2.839 2.315 0.000) 3.663 11.601 ( 1.192 2.176 0.000) 2.481 11.649 ( -0.199 2.745 0.000) 2.752 11.693 ( 3.628 8.617 0.000) 9.349 11.754 ( 0.110 -9.424 0.000) 9.425 11.784 ( -0.917 -6.387 0.000) 6.453 11.808 ( 0.157 2.462 0.000) 2.467 11.824 ( 0.590 -2.257 0.000) 2.333 11.920 ( -2.698 -4.719 0.000) 5.435 12.027 ( 0.510 -1.663 0.000) 1.739 12.137 ( -3.807 -5.731 0.000) 6.880 12.140 ( 1.084 -7.423 0.000) 7.502 12.189 ( -0.814 -7.294 0.000) 7.339 12.285 ( 0.090 -3.540 0.000) 3.541 12.384 ( -4.268 2.981 0.000) 5.206 12.387 ( 1.514 0.344 0.000) 1.552 12.409 ( -0.075 3.968 0.000) 3.969 12.692 ( 0.728 -7.782 0.000) 7.816 12.734 ( -0.830 -8.015 0.000) 8.058 13.063 ( 1.349 -11.802 0.000) 11.878 13.093 ( 0.146 -13.801 0.000) 13.802 13.631 ( -1.366 8.023 0.000) 8.138 13.645 ( -1.823 12.211 0.000) 12.346 13.835 ( 1.367 -0.290 0.000) 1.398 13.846 ( 1.650 0.413 0.000) 1.701 13.920 ( -0.388 -3.340 0.000) 3.362 13.964 ( -0.940 -1.140 0.000) 1.478 14.260 ( 5.494 -14.276 0.000) 15.297 14.429 ( -1.646 -15.584 0.000) 15.671 14.593 ( 0.795 6.910 0.000) 6.955 14.629 ( -0.593 8.454 0.000) 8.474 14.824 ( 0.949 -3.465 0.000) 3.593 14.875 ( -0.901 -2.306 0.000) 2.475 16.181 ( 1.459 3.866 0.000) 4.132 16.213 ( 0.602 2.136 0.000) 2.219 16.253 ( 0.782 5.510 0.000) 5.565 16.263 ( -1.306 -1.151 0.000) 1.741 16.283 ( -1.432 2.585 0.000) 2.955 16.318 ( -0.477 2.063 0.000) 2.118 16.497 ( -1.092 -1.833 0.000) 2.133 16.509 ( -1.532 -4.360 0.000) 4.621 16.591 ( 2.471 2.325 0.000) 3.393 16.668 ( 2.158 9.234 0.000) 9.483 16.692 ( 0.450 6.489 0.000) 6.504 16.853 ( -2.064 5.132 0.000) 5.532 17.031 ( 0.505 -1.395 0.000) 1.484 17.047 ( -1.565 2.879 0.000) 3.277 17.097 ( 0.603 -4.632 0.000) 4.671 17.175 ( -0.262 -1.235 0.000) 1.262 17.732 ( -1.975 8.185 0.000) 8.420 17.797 ( -0.305 1.580 0.000) 1.609 17.952 ( 5.788 -3.488 0.000) 6.758 18.164 ( 6.368 -1.792 0.000) 6.615 18.354 ( -0.419 3.913 0.000) 3.936 18.356 ( -3.945 12.738 0.000) 13.335 18.417 ( -0.773 5.633 0.000) 5.686 18.596 ( -4.874 0.073 0.000) 4.875 18.916 ( 4.199 -2.218 0.000) 4.749 19.047 ( -1.042 7.624 0.000) 7.695 19.258 ( 3.801 -22.968 0.000) 23.280 19.461 ( -2.194 -7.381 0.000) 7.700 19.816 ( -0.769 6.711 0.000) 6.755 19.885 ( -5.397 3.446 0.000) 6.403 20.041 ( 0.563 -4.133 0.000) 4.171 20.097 ( -1.728 -7.284 0.000) 7.486 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -2.986 8.986 0.000) 9.469 1.981 ( 2.986 8.986 0.000) 9.469 2.142 ( -16.074 0.187 0.000) 16.076 2.142 ( 16.074 0.187 0.000) 16.076 2.499 ( -5.305 20.285 0.000) 20.967 2.499 ( 5.305 20.285 0.000) 20.967 2.676 ( -7.341 17.097 0.000) 18.606 2.676 ( 7.341 17.097 0.000) 18.606 2.897 ( -5.236 -2.224 0.000) 5.689 2.897 ( 5.236 -2.224 0.000) 5.689 2.996 ( -10.481 3.642 0.000) 11.095 2.996 ( 10.481 3.642 0.000) 11.095 3.261 ( -5.870 -4.569 0.000) 7.439 3.261 ( 5.870 -4.569 0.000) 7.439 3.303 ( -1.953 -1.733 0.000) 2.612 3.303 ( 1.953 -1.733 0.000) 2.612 3.498 ( -0.411 16.890 0.000) 16.895 3.498 ( 0.411 16.890 0.000) 16.895 3.610 ( -2.551 14.939 0.000) 15.156 3.610 ( 2.551 14.939 0.000) 15.156 3.737 ( -2.308 0.462 0.000) 2.354 3.737 ( 2.308 0.462 0.000) 2.354 3.929 ( -2.208 14.719 0.000) 14.884 3.929 ( 2.208 14.719 0.000) 14.884 4.026 ( -1.250 -12.398 0.000) 12.461 4.026 ( 1.250 -12.398 0.000) 12.461 4.257 ( -0.183 2.863 0.000) 2.869 4.257 ( 0.183 2.863 0.000) 2.869 4.377 ( -1.526 0.692 0.000) 1.675 4.377 ( 1.526 0.692 0.000) 1.675 4.439 ( -1.603 1.473 0.000) 2.177 4.439 ( 1.603 1.473 0.000) 2.177 4.620 ( -0.394 3.900 0.000) 3.919 4.620 ( 0.394 3.900 0.000) 3.919 4.760 ( -4.393 5.545 0.000) 7.074 4.760 ( 4.393 5.545 0.000) 7.074 4.885 ( -0.079 1.401 0.000) 1.403 4.885 ( 0.079 1.401 0.000) 1.403 5.080 ( -3.148 -6.872 0.000) 7.559 5.080 ( 3.148 -6.872 0.000) 7.559 5.172 ( -3.779 -2.206 0.000) 4.376 5.172 ( 3.779 -2.206 0.000) 4.376 5.316 ( -3.115 -7.114 0.000) 7.767 5.316 ( 3.115 -7.114 0.000) 7.767 5.510 ( -2.845 2.634 0.000) 3.877 5.510 ( 2.845 2.634 0.000) 3.877 5.659 ( -0.071 -1.947 0.000) 1.948 5.659 ( 0.071 -1.947 0.000) 1.948 5.749 ( -2.213 0.834 0.000) 2.365 5.749 ( 2.213 0.834 0.000) 2.365 5.804 ( -5.791 -0.231 0.000) 5.795 5.804 ( 5.791 -0.231 0.000) 5.795 5.968 ( -0.517 -1.478 0.000) 1.566 5.968 ( 0.517 -1.478 0.000) 1.566 6.037 ( -0.191 -3.294 0.000) 3.300 6.037 ( 0.191 -3.294 0.000) 3.300 6.527 ( -2.490 -1.046 0.000) 2.701 6.527 ( 2.490 -1.046 0.000) 2.701 6.559 ( -5.641 -3.231 0.000) 6.501 6.559 ( 5.641 -3.231 0.000) 6.501 7.653 ( -2.635 15.757 0.000) 15.976 7.653 ( 2.635 15.757 0.000) 15.976 8.183 ( -4.512 -8.270 0.000) 9.421 8.183 ( 4.512 -8.270 0.000) 9.421 8.278 ( -0.972 12.675 0.000) 12.712 8.278 ( 0.972 12.675 0.000) 12.712 8.526 ( -0.074 1.268 0.000) 1.270 8.526 ( 0.074 1.268 0.000) 1.270 8.848 ( -0.564 4.959 0.000) 4.991 8.848 ( 0.564 4.959 0.000) 4.991 9.016 ( -0.473 -1.950 0.000) 2.007 9.016 ( 0.473 -1.950 0.000) 2.007 9.357 ( -0.101 14.372 0.000) 14.372 9.357 ( 0.101 14.372 0.000) 14.372 9.705 ( -0.529 -4.382 0.000) 4.413 9.705 ( 0.529 -4.382 0.000) 4.413 9.935 ( -0.292 5.473 0.000) 5.481 9.935 ( 0.292 5.473 0.000) 5.481 10.045 ( -2.141 7.653 0.000) 7.947 10.045 ( 2.141 7.653 0.000) 7.947 10.081 ( -0.070 4.608 0.000) 4.608 10.081 ( 0.070 4.608 0.000) 4.608 10.353 ( -0.274 -9.385 0.000) 9.389 10.353 ( 0.274 -9.385 0.000) 9.389 10.674 ( -0.147 5.996 0.000) 5.998 10.674 ( 0.147 5.996 0.000) 5.998 11.347 ( -1.162 -4.449 0.000) 4.598 11.347 ( 1.162 -4.449 0.000) 4.598 11.366 ( -1.278 -3.254 0.000) 3.496 11.366 ( 1.278 -3.254 0.000) 3.496 11.521 ( -0.934 2.388 0.000) 2.564 11.521 ( 0.934 2.388 0.000) 2.564 11.631 ( -1.360 1.784 0.000) 2.243 11.631 ( 1.360 1.784 0.000) 2.243 11.760 ( -0.094 -4.963 0.000) 4.964 11.760 ( 0.094 -4.963 0.000) 4.964 11.791 ( -2.748 3.526 0.000) 4.471 11.791 ( 2.748 3.526 0.000) 4.471 11.846 ( -2.492 -5.605 0.000) 6.134 11.846 ( 2.492 -5.605 0.000) 6.134 12.057 ( -2.669 -1.093 0.000) 2.884 12.057 ( 2.669 -1.093 0.000) 2.884 12.166 ( -1.238 -7.056 0.000) 7.163 12.166 ( 1.238 -7.056 0.000) 7.163 12.307 ( -2.184 0.514 0.000) 2.244 12.307 ( 2.184 0.514 0.000) 2.244 12.411 ( -0.507 1.491 0.000) 1.575 12.411 ( 0.507 1.491 0.000) 1.575 12.712 ( -1.074 -8.018 0.000) 8.090 12.712 ( 1.074 -8.018 0.000) 8.090 13.088 ( -0.758 -13.117 0.000) 13.139 13.088 ( 0.758 -13.117 0.000) 13.139 13.618 ( -0.393 10.329 0.000) 10.337 13.618 ( 0.393 10.329 0.000) 10.337 13.857 ( -0.506 -0.056 0.000) 0.509 13.857 ( 0.506 -0.056 0.000) 0.509 13.936 ( -1.476 -1.813 0.000) 2.338 13.936 ( 1.476 -1.813 0.000) 2.338 14.368 ( -4.153 -14.843 0.000) 15.413 14.368 ( 4.153 -14.843 0.000) 15.413 14.613 ( -0.921 7.479 0.000) 7.535 14.613 ( 0.921 7.479 0.000) 7.535 14.850 ( -1.317 -2.908 0.000) 3.193 14.850 ( 1.317 -2.908 0.000) 3.193 16.221 ( -1.587 2.898 0.000) 3.304 16.221 ( 1.587 2.898 0.000) 3.304 16.238 ( -0.466 2.798 0.000) 2.837 16.238 ( 0.466 2.799 0.000) 2.837 16.294 ( -1.573 1.684 0.000) 2.304 16.294 ( 1.573 1.684 0.000) 2.304 16.487 ( -0.254 -2.205 0.000) 2.220 16.487 ( 0.254 -2.205 0.000) 2.220 16.643 ( -2.251 3.528 0.000) 4.185 16.643 ( 2.251 3.528 0.000) 4.185 16.779 ( -4.671 8.963 0.000) 10.107 16.779 ( 4.671 8.963 0.000) 10.107 17.030 ( -0.006 0.551 0.000) 0.551 17.030 ( 0.006 0.551 0.000) 0.551 17.137 ( -2.599 -3.009 0.000) 3.976 17.137 ( 2.599 -3.009 0.000) 3.976 17.747 ( -2.762 5.791 0.000) 6.416 17.747 ( 2.762 5.791 0.000) 6.416 18.131 ( -8.620 -3.056 0.000) 9.146 18.131 ( 8.620 -3.056 0.000) 9.146 18.339 ( -1.378 4.054 0.000) 4.282 18.339 ( 1.378 4.054 0.000) 4.282 18.469 ( -5.786 3.679 0.000) 6.856 18.469 ( 5.786 3.679 0.000) 6.856 19.002 ( -3.298 3.280 0.000) 4.651 19.002 ( 3.298 3.280 0.000) 4.651 19.369 ( -5.854 -13.837 0.000) 15.024 19.369 ( 5.854 -13.837 0.000) 15.024 19.811 ( -1.072 6.130 0.000) 6.223 19.811 ( 1.072 6.130 0.000) 6.223 20.060 ( -1.452 -6.208 0.000) 6.375 20.060 ( 1.452 -6.208 0.000) 6.375 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 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| 1.879 ( 0.000 -22.902 0.000) 22.902 1.879 ( 0.000 22.902 0.000) 22.902 2.374 ( 0.000 -7.920 0.000) 7.920 2.374 ( 0.000 7.920 0.000) 7.920 2.392 ( 0.000 -5.384 0.000) 5.384 2.392 ( 0.000 5.384 0.000) 5.384 2.754 ( 0.000 -5.824 0.000) 5.824 2.754 ( 0.000 5.824 0.000) 5.824 2.997 ( 0.000 -8.700 0.000) 8.700 2.997 ( 0.000 8.700 0.000) 8.700 3.137 ( 0.000 -2.175 0.000) 2.175 3.137 ( 0.000 2.175 0.000) 2.175 3.234 ( 0.000 -12.575 0.000) 12.575 3.234 ( 0.000 12.575 0.000) 12.575 3.301 ( 0.000 -11.772 0.000) 11.772 3.301 ( 0.000 11.772 0.000) 11.772 3.705 ( 0.000 -15.889 0.000) 15.889 3.705 ( 0.000 15.889 0.000) 15.889 3.716 ( 0.000 -4.306 0.000) 4.306 3.716 ( 0.000 4.306 0.000) 4.306 3.810 ( 0.000 -5.167 0.000) 5.167 3.810 ( 0.000 5.167 0.000) 5.167 4.039 ( 0.000 -9.303 0.000) 9.303 4.039 ( 0.000 9.303 0.000) 9.303 4.176 ( 0.000 -15.683 0.000) 15.683 4.176 ( 0.000 15.683 0.000) 15.683 4.308 ( 0.000 -2.902 0.000) 2.902 4.308 ( 0.000 2.902 0.000) 2.902 4.358 ( 0.000 -1.345 0.000) 1.345 4.358 ( 0.000 1.345 0.000) 1.345 4.386 ( 0.000 -16.738 0.000) 16.738 4.386 ( 0.000 16.738 0.000) 16.738 4.678 ( 0.000 -10.539 0.000) 10.539 4.678 ( 0.000 10.539 0.000) 10.539 4.734 ( 0.000 -2.751 0.000) 2.751 4.734 ( 0.000 2.751 0.000) 2.751 4.886 ( 0.000 -6.608 0.000) 6.608 4.886 ( 0.000 6.608 0.000) 6.608 5.000 ( 0.000 -0.956 0.000) 0.956 5.000 ( 0.000 0.956 0.000) 0.956 5.084 ( 0.000 -3.461 0.000) 3.461 5.084 ( 0.000 3.461 0.000) 3.461 5.304 ( 0.000 -2.916 0.000) 2.916 5.304 ( 0.000 2.916 0.000) 2.916 5.527 ( 0.000 -10.963 0.000) 10.963 5.527 ( 0.000 10.963 0.000) 10.963 5.615 ( 0.000 -4.656 0.000) 4.656 5.615 ( 0.000 4.656 0.000) 4.656 5.662 ( 0.000 -7.651 0.000) 7.651 5.662 ( 0.000 7.651 0.000) 7.651 5.821 ( 0.000 -1.191 0.000) 1.191 5.821 ( 0.000 1.191 0.000) 1.191 5.999 ( 0.000 -4.607 0.000) 4.607 5.999 ( 0.000 4.607 0.000) 4.607 6.059 ( 0.000 -0.802 0.000) 0.802 6.059 ( 0.000 0.802 0.000) 0.802 6.370 ( 0.000 -2.924 0.000) 2.924 6.370 ( 0.000 2.924 0.000) 2.924 6.602 ( 0.000 -2.439 0.000) 2.439 6.602 ( 0.000 2.439 0.000) 2.439 7.858 ( 0.000 -11.641 0.000) 11.641 7.858 ( 0.000 11.641 0.000) 11.641 8.063 ( 0.000 -14.331 0.000) 14.331 8.063 ( 0.000 14.331 0.000) 14.331 8.474 ( 0.000 -6.803 0.000) 6.803 8.474 ( 0.000 6.803 0.000) 6.803 8.513 ( 0.000 -5.281 0.000) 5.281 8.513 ( 0.000 5.281 0.000) 5.281 8.924 ( 0.000 -4.582 0.000) 4.582 8.924 ( 0.000 4.582 0.000) 4.582 8.958 ( 0.000 -4.389 0.000) 4.389 8.958 ( 0.000 4.389 0.000) 4.389 9.584 ( 0.000 -7.230 0.000) 7.230 9.584 ( 0.000 7.231 0.000) 7.231 9.589 ( 0.000 -8.223 0.000) 8.223 9.589 ( 0.000 8.223 0.000) 8.223 10.042 ( 0.000 -3.004 0.000) 3.004 10.042 ( 0.000 3.004 0.000) 3.004 10.079 ( 0.000 -6.998 0.000) 6.998 10.079 ( 0.000 6.998 0.000) 6.998 10.186 ( 0.000 -5.833 0.000) 5.833 10.186 ( 0.000 5.833 0.000) 5.833 10.203 ( 0.000 -6.643 0.000) 6.643 10.203 ( 0.000 6.643 0.000) 6.643 10.924 ( 0.000 -17.525 0.000) 17.525 10.924 ( 0.000 17.525 0.000) 17.525 10.939 ( 0.000 -19.631 0.000) 19.631 10.939 ( 0.000 19.631 0.000) 19.631 11.537 ( 0.000 -8.284 0.000) 8.284 11.537 ( 0.000 8.284 0.000) 8.284 11.571 ( 0.000 -7.500 0.000) 7.500 11.571 ( 0.000 7.500 0.000) 7.500 11.593 ( 0.000 -1.073 0.000) 1.073 11.593 ( 0.000 1.073 0.000) 1.073 11.645 ( 0.000 -3.263 0.000) 3.263 11.645 ( 0.000 3.263 0.000) 3.263 11.825 ( 0.000 -2.937 0.000) 2.937 11.825 ( 0.000 2.937 0.000) 2.937 11.920 ( 0.000 -6.490 0.000) 6.490 11.920 ( 0.000 6.490 0.000) 6.490 11.984 ( 0.000 -1.563 0.000) 1.563 11.984 ( 0.000 1.563 0.000) 1.563 12.043 ( 0.000 -1.987 0.000) 1.987 12.043 ( 0.000 1.987 0.000) 1.987 12.305 ( 0.000 -5.611 0.000) 5.611 12.305 ( 0.000 5.611 0.000) 5.611 12.478 ( 0.000 -0.483 0.000) 0.483 12.478 ( 0.000 0.483 0.000) 0.483 12.788 ( 0.000 -13.611 0.000) 13.611 12.788 ( 0.000 13.611 0.000) 13.611 12.792 ( 0.000 -11.078 0.000) 11.078 12.792 ( 0.000 11.078 0.000) 11.078 13.829 ( 0.000 -0.407 0.000) 0.407 13.829 ( 0.000 0.407 0.000) 0.407 13.861 ( 0.000 -3.559 0.000) 3.559 13.861 ( 0.000 3.559 0.000) 3.559 13.883 ( 0.000 -13.861 0.000) 13.861 13.883 ( 0.000 13.861 0.000) 13.861 14.103 ( 0.000 -15.132 0.000) 15.132 14.103 ( 0.000 15.132 0.000) 15.132 14.717 ( 0.000 -5.626 0.000) 5.626 14.717 ( 0.000 5.626 0.000) 5.626 14.797 ( 0.000 -6.184 0.000) 6.184 14.797 ( 0.000 6.184 0.000) 6.184 16.214 ( 0.000 -2.081 0.000) 2.081 16.214 ( 0.000 2.081 0.000) 2.081 16.253 ( 0.000 -2.185 0.000) 2.185 16.253 ( 0.000 2.185 0.000) 2.185 16.388 ( 0.000 -6.064 0.000) 6.064 16.388 ( 0.000 6.064 0.000) 6.064 16.417 ( 0.000 -5.199 0.000) 5.199 16.417 ( 0.000 5.199 0.000) 5.199 16.767 ( 0.000 -10.514 0.000) 10.514 16.767 ( 0.000 10.514 0.000) 10.514 16.781 ( 0.000 -2.405 0.000) 2.405 16.781 ( 0.000 2.405 0.000) 2.405 16.995 ( 0.000 -2.992 0.000) 2.992 16.995 ( 0.000 2.992 0.000) 2.992 17.147 ( 0.000 -2.233 0.000) 2.233 17.147 ( 0.000 2.233 0.000) 2.233 17.820 ( 0.000 -4.339 0.000) 4.339 17.820 ( 0.000 4.339 0.000) 4.339 17.999 ( 0.000 -8.694 0.000) 8.694 17.999 ( 0.000 8.694 0.000) 8.694 18.514 ( 0.000 -8.730 0.000) 8.730 18.514 ( 0.000 8.730 0.000) 8.730 18.629 ( 0.000 -15.118 0.000) 15.118 18.629 ( 0.000 15.118 0.000) 15.118 18.758 ( 0.000 -15.145 0.000) 15.145 18.758 ( 0.000 15.145 0.000) 15.145 19.302 ( 0.000 -11.301 0.000) 11.301 19.302 ( 0.000 11.301 0.000) 11.301 19.969 ( 0.000 -6.907 0.000) 6.907 19.969 ( 0.000 6.907 0.000) 6.907 19.990 ( 0.000 -1.551 0.000) 1.551 19.990 ( 0.000 1.551 0.000) 1.551 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 5.302 -12.504 0.000) 13.582 1.924 ( 5.302 12.504 0.000) 13.582 2.300 ( -6.858 -9.005 0.000) 11.319 2.300 ( -6.858 9.005 0.000) 11.319 2.568 ( 13.490 -8.349 0.000) 15.864 2.568 ( 13.490 8.349 0.000) 15.864 2.787 ( 2.526 -11.261 0.000) 11.541 2.787 ( 2.526 11.261 0.000) 11.541 2.998 ( 0.270 -6.346 0.000) 6.352 2.998 ( 0.270 6.346 0.000) 6.352 3.109 ( -3.168 -3.932 0.000) 5.049 3.109 ( -3.168 3.932 0.000) 5.049 3.186 ( -3.418 -10.794 0.000) 11.322 3.186 ( -3.418 10.794 0.000) 11.322 3.243 ( -3.985 -8.419 0.000) 9.315 3.243 ( -3.985 8.419 0.000) 9.315 3.717 ( 0.731 -8.217 0.000) 8.250 3.717 ( 0.731 8.217 0.000) 8.250 3.726 ( 0.521 -2.539 0.000) 2.592 3.726 ( 0.521 2.539 0.000) 2.592 3.796 ( -0.969 -6.319 0.000) 6.393 3.796 ( -0.969 6.319 0.000) 6.393 3.915 ( -8.009 -5.325 0.000) 9.618 3.915 ( -8.009 5.325 0.000) 9.618 4.245 ( 1.410 -12.135 0.000) 12.217 4.245 ( 1.410 12.135 0.000) 12.217 4.271 ( -2.233 -3.744 0.000) 4.360 4.271 ( -2.233 3.744 0.000) 4.360 4.332 ( 1.123 -3.600 0.000) 3.771 4.332 ( 1.123 3.600 0.000) 3.771 4.402 ( 0.542 -12.360 0.000) 12.372 4.402 ( 0.542 12.360 0.000) 12.372 4.752 ( 4.576 -9.949 0.000) 10.951 4.752 ( 4.576 9.949 0.000) 10.951 4.758 ( 1.967 -2.889 0.000) 3.495 4.758 ( 1.967 2.889 0.000) 3.495 4.892 ( 0.387 -5.829 0.000) 5.842 4.892 ( 0.387 5.829 0.000) 5.842 4.952 ( -3.109 -2.329 0.000) 3.885 4.952 ( -3.109 2.329 0.000) 3.885 5.109 ( 2.017 -4.095 0.000) 4.565 5.109 ( 2.017 4.095 0.000) 4.565 5.271 ( -3.048 -3.236 0.000) 4.446 5.271 ( -3.048 3.236 0.000) 4.446 5.546 ( 1.543 -7.160 0.000) 7.324 5.546 ( 1.543 7.160 0.000) 7.324 5.629 ( -2.350 -5.177 0.000) 5.686 5.629 ( -2.350 5.177 0.000) 5.686 5.673 ( 4.861 -4.475 0.000) 6.607 5.673 ( 4.861 4.475 0.000) 6.607 5.840 ( 0.365 -3.231 0.000) 3.251 5.840 ( 0.365 3.231 0.000) 3.251 5.995 ( -0.346 -3.929 0.000) 3.944 5.995 ( -0.346 3.929 0.000) 3.944 6.009 ( -3.029 -2.853 0.000) 4.161 6.009 ( -3.029 2.853 0.000) 4.161 6.431 ( 4.491 -1.411 0.000) 4.708 6.431 ( 4.491 1.411 0.000) 4.708 6.583 ( -1.851 -1.946 0.000) 2.686 6.583 ( -1.851 1.946 0.000) 2.686 7.887 ( 2.593 -12.046 0.000) 12.322 7.887 ( 2.593 12.046 0.000) 12.322 8.032 ( -2.761 -13.932 0.000) 14.203 8.032 ( -2.761 13.932 0.000) 14.203 8.472 ( -0.037 -6.588 0.000) 6.588 8.472 ( -0.037 6.588 0.000) 6.588 8.501 ( -1.031 -5.491 0.000) 5.587 8.501 ( -1.031 5.491 0.000) 5.587 8.933 ( 0.704 -4.476 0.000) 4.531 8.933 ( 0.704 4.476 0.000) 4.531 8.956 ( -0.205 -4.361 0.000) 4.365 8.956 ( -0.205 4.361 0.000) 4.365 9.585 ( 0.043 -7.325 0.000) 7.325 9.585 ( 0.043 7.325 0.000) 7.325 9.588 ( -0.055 -8.029 0.000) 8.029 9.588 ( -0.055 8.029 0.000) 8.029 10.050 ( 0.674 -3.728 0.000) 3.788 10.050 ( 0.674 3.728 0.000) 3.788 10.077 ( -0.244 -6.571 0.000) 6.575 10.077 ( -0.244 6.571 0.000) 6.575 10.188 ( 0.208 -5.980 0.000) 5.983 10.188 ( 0.208 5.980 0.000) 5.983 10.201 ( -0.210 -6.521 0.000) 6.524 10.201 ( -0.210 6.521 0.000) 6.524 10.932 ( 0.649 -18.030 0.000) 18.041 10.932 ( 0.649 18.030 0.000) 18.041 10.943 ( 0.246 -19.610 0.000) 19.611 10.943 ( 0.246 19.610 0.000) 19.611 11.524 ( -0.700 -6.939 0.000) 6.975 11.524 ( -0.700 6.939 0.000) 6.975 11.554 ( -1.435 -6.883 0.000) 7.031 11.554 ( -1.435 6.883 0.000) 7.031 11.607 ( 0.960 -3.578 0.000) 3.704 11.607 ( 0.960 3.578 0.000) 3.704 11.640 ( -0.425 -3.633 0.000) 3.658 11.640 ( -0.425 3.633 0.000) 3.658 11.832 ( 0.672 -2.303 0.000) 2.400 11.832 ( 0.672 2.303 0.000) 2.400 11.896 ( -1.906 -4.658 0.000) 5.033 11.896 ( -1.906 4.658 0.000) 5.033 11.994 ( 0.813 -2.652 0.000) 2.774 11.994 ( 0.813 2.652 0.000) 2.774 12.035 ( -0.720 -2.852 0.000) 2.941 12.035 ( -0.720 2.852 0.000) 2.941 12.327 ( 1.978 -5.613 0.000) 5.951 12.327 ( 1.978 5.613 0.000) 5.951 12.446 ( -2.632 -1.935 0.000) 3.267 12.446 ( -2.632 1.935 0.000) 3.267 12.793 ( 0.398 -13.508 0.000) 13.514 12.793 ( 0.398 13.508 0.000) 13.514 12.797 ( 0.287 -11.863 0.000) 11.866 12.797 ( 0.287 11.863 0.000) 11.866 13.815 ( -1.439 -6.849 0.000) 6.999 13.815 ( -1.439 6.849 0.000) 6.999 13.819 ( -0.826 -3.801 0.000) 3.890 13.819 ( -0.826 3.801 0.000) 3.890 13.969 ( 4.707 -11.467 0.000) 12.395 13.969 ( 4.707 11.467 0.000) 12.395 14.095 ( -0.918 -14.606 0.000) 14.635 14.095 ( -0.918 14.606 0.000) 14.635 14.729 ( 1.061 -5.686 0.000) 5.785 14.729 ( 1.061 5.686 0.000) 5.785 14.786 ( -1.024 -6.096 0.000) 6.181 14.786 ( -1.024 6.096 0.000) 6.181 16.224 ( 0.789 -1.618 0.000) 1.800 16.224 ( 0.789 1.618 0.000) 1.800 16.251 ( -0.228 -2.048 0.000) 2.060 16.251 ( -0.228 2.048 0.000) 2.060 16.385 ( -0.259 -6.251 0.000) 6.256 16.385 ( -0.259 6.251 0.000) 6.256 16.403 ( -1.069 -5.137 0.000) 5.247 16.403 ( -1.069 5.137 0.000) 5.247 16.778 ( 0.873 -9.582 0.000) 9.622 16.778 ( 0.873 9.582 0.000) 9.622 16.797 ( 0.849 -1.133 0.000) 1.416 16.797 ( 0.849 1.133 0.000) 1.416 17.011 ( 1.831 -1.451 0.000) 2.336 17.011 ( 1.831 1.451 0.000) 2.336 17.126 ( -1.911 -3.526 0.000) 4.011 17.126 ( -1.911 3.526 0.000) 4.011 17.857 ( 3.323 -4.335 0.000) 5.462 17.857 ( 3.323 4.335 0.000) 5.462 17.998 ( -0.748 -13.334 0.000) 13.355 17.998 ( -0.748 13.334 0.000) 13.355 18.488 ( -2.228 -7.550 0.000) 7.872 18.488 ( -2.228 7.550 0.000) 7.872 18.500 ( -5.852 -1.609 0.000) 6.069 18.500 ( -5.852 1.609 0.000) 6.069 18.931 ( 10.339 -6.773 0.000) 12.360 18.931 ( 10.339 6.773 0.000) 12.360 19.267 ( -3.640 -10.913 0.000) 11.504 19.267 ( -3.640 10.913 0.000) 11.504 19.955 ( -1.131 -6.650 0.000) 6.746 19.955 ( -1.131 6.650 0.000) 6.746 19.962 ( -1.970 -3.691 0.000) 4.183 19.962 ( -1.970 3.691 0.000) 4.183 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -10.356 -3.540 0.000) 10.944 2.104 ( -10.356 3.540 0.000) 10.944 2.104 ( 10.356 -3.540 0.000) 10.944 2.104 ( 10.356 3.540 0.000) 10.944 2.799 ( -4.397 -8.235 0.000) 9.335 2.799 ( 4.397 -8.235 0.000) 9.335 2.799 ( -4.397 8.235 0.000) 9.335 2.799 ( 4.397 8.235 0.000) 9.335 3.026 ( -3.158 -11.033 0.000) 11.476 3.026 ( 3.158 -11.033 0.000) 11.476 3.026 ( -3.158 11.033 0.000) 11.476 3.026 ( 3.158 11.033 0.000) 11.476 3.161 ( -2.421 -6.684 0.000) 7.109 3.161 ( 2.421 -6.684 0.000) 7.109 3.161 ( -2.421 6.684 0.000) 7.109 3.161 ( 2.421 6.684 0.000) 7.109 3.727 ( -0.344 -3.790 0.000) 3.806 3.727 ( 0.344 -3.790 0.000) 3.806 3.727 ( -0.344 3.790 0.000) 3.806 3.727 ( 0.344 3.790 0.000) 3.806 3.797 ( -2.043 -7.315 0.000) 7.595 3.797 ( 2.043 -7.315 0.000) 7.595 3.797 ( -2.043 7.315 0.000) 7.595 3.797 ( 2.043 7.315 0.000) 7.595 4.242 ( -0.287 -7.794 0.000) 7.800 4.242 ( 0.287 -7.794 0.000) 7.800 4.242 ( -0.287 7.794 0.000) 7.800 4.242 ( 0.287 7.794 0.000) 7.800 4.389 ( -2.010 -9.064 0.000) 9.284 4.389 ( 2.010 -9.064 0.000) 9.284 4.389 ( -2.010 9.064 0.000) 9.284 4.389 ( 2.010 9.064 0.000) 9.284 4.798 ( -0.775 -8.751 0.000) 8.785 4.798 ( 0.775 -8.751 0.000) 8.785 4.798 ( -0.775 8.751 0.000) 8.785 4.798 ( 0.775 8.751 0.000) 8.785 4.902 ( -1.045 -6.589 0.000) 6.671 4.902 ( 1.045 -6.589 0.000) 6.671 4.902 ( -1.045 6.589 0.000) 6.671 4.902 ( 1.045 6.589 0.000) 6.671 5.183 ( -4.625 -4.182 0.000) 6.235 5.183 ( 4.625 -4.182 0.000) 6.235 5.183 ( -4.625 4.182 0.000) 6.235 5.183 ( 4.625 4.182 0.000) 6.235 5.583 ( -1.898 -4.437 0.000) 4.826 5.583 ( 1.898 -4.437 0.000) 4.826 5.583 ( -1.898 4.437 0.000) 4.826 5.583 ( 1.898 4.437 0.000) 4.826 5.787 ( -4.932 -2.590 0.000) 5.571 5.787 ( 4.932 -2.590 0.000) 5.571 5.787 ( -4.932 2.590 0.000) 5.571 5.787 ( 4.932 2.590 0.000) 5.571 5.985 ( -0.367 -2.305 0.000) 2.334 5.985 ( 0.367 -2.305 0.000) 2.334 5.985 ( -0.367 2.305 0.000) 2.334 5.985 ( 0.367 2.305 0.000) 2.334 6.523 ( -3.750 -0.555 0.000) 3.791 6.523 ( -3.750 0.555 0.000) 3.791 6.523 ( 3.750 -0.555 0.000) 3.791 6.523 ( 3.750 0.555 0.000) 3.791 7.958 ( -3.749 -12.995 0.000) 13.525 7.958 ( 3.749 -12.995 0.000) 13.525 7.958 ( -3.749 12.995 0.000) 13.525 7.958 ( 3.749 12.995 0.000) 13.525 8.479 ( -0.755 -6.037 0.000) 6.084 8.479 ( 0.755 -6.037 0.000) 6.084 8.479 ( -0.755 6.037 0.000) 6.084 8.479 ( 0.755 6.037 0.000) 6.084 8.948 ( -0.558 -4.353 0.000) 4.389 8.948 ( 0.558 -4.353 0.000) 4.389 8.948 ( -0.558 4.353 0.000) 4.389 8.948 ( 0.558 4.353 0.000) 4.389 9.586 ( -0.100 -7.628 0.000) 7.629 9.586 ( 0.100 -7.628 0.000) 7.629 9.586 ( -0.100 7.628 0.000) 7.629 9.586 ( 0.100 7.628 0.000) 7.629 10.066 ( -0.717 -5.286 0.000) 5.334 10.066 ( 0.717 -5.286 0.000) 5.334 10.066 ( -0.717 5.286 0.000) 5.334 10.066 ( 0.717 5.286 0.000) 5.334 10.195 ( -0.354 -6.250 0.000) 6.260 10.195 ( 0.354 -6.250 0.000) 6.260 10.195 ( -0.354 6.250 0.000) 6.260 10.195 ( 0.354 6.250 0.000) 6.260 10.944 ( -0.279 -19.084 0.000) 19.086 10.944 ( 0.279 -19.084 0.000) 19.086 10.944 ( -0.279 19.084 0.000) 19.086 10.944 ( 0.279 19.084 0.000) 19.086 11.525 ( -0.915 -6.310 0.000) 6.376 11.525 ( 0.915 -6.310 0.000) 6.376 11.525 ( -0.915 6.310 0.000) 6.376 11.525 ( 0.915 6.310 0.000) 6.376 11.627 ( -0.816 -4.080 0.000) 4.160 11.627 ( 0.816 -4.080 0.000) 4.160 11.627 ( -0.816 4.080 0.000) 4.160 11.627 ( 0.816 4.080 0.000) 4.160 11.856 ( -1.604 -1.528 0.000) 2.216 11.856 ( 1.604 -1.528 0.000) 2.216 11.856 ( -1.604 1.528 0.000) 2.216 11.856 ( 1.604 1.528 0.000) 2.216 12.015 ( -1.068 -3.403 0.000) 3.567 12.015 ( 1.068 -3.403 0.000) 3.567 12.015 ( -1.068 3.403 0.000) 3.567 12.015 ( 1.068 3.403 0.000) 3.567 12.382 ( -3.033 -4.667 0.000) 5.565 12.382 ( 3.033 -4.667 0.000) 5.565 12.382 ( -3.033 4.667 0.000) 5.565 12.382 ( 3.033 4.667 0.000) 5.565 12.799 ( -0.114 -13.009 0.000) 13.009 12.799 ( 0.114 -13.009 0.000) 13.009 12.799 ( -0.114 13.009 0.000) 13.009 12.799 ( 0.114 13.009 0.000) 13.009 13.804 ( -0.296 -6.025 0.000) 6.032 13.804 ( 0.296 -6.025 0.000) 6.032 13.804 ( -0.296 6.025 0.000) 6.032 13.804 ( 0.296 6.025 0.000) 6.032 14.055 ( -3.053 -13.257 0.000) 13.604 14.055 ( 3.053 -13.257 0.000) 13.604 14.055 ( -3.053 13.257 0.000) 13.604 14.055 ( 3.053 13.257 0.000) 13.604 14.757 ( -1.481 -5.878 0.000) 6.062 14.757 ( 1.481 -5.878 0.000) 6.062 14.757 ( -1.481 5.878 0.000) 6.062 14.757 ( 1.481 5.878 0.000) 6.062 16.241 ( -0.707 -1.181 0.000) 1.376 16.241 ( 0.707 -1.181 0.000) 1.376 16.241 ( -0.707 1.181 0.000) 1.376 16.241 ( 0.707 1.181 0.000) 1.376 16.384 ( -0.418 -5.729 0.000) 5.744 16.384 ( 0.418 -5.729 0.000) 5.744 16.384 ( -0.418 5.729 0.000) 5.744 16.384 ( 0.418 5.729 0.000) 5.744 16.797 ( -0.732 -6.670 0.000) 6.710 16.797 ( 0.732 -6.670 0.000) 6.710 16.797 ( -0.732 6.670 0.000) 6.710 16.797 ( 0.732 6.670 0.000) 6.710 17.070 ( -3.136 -3.262 0.000) 4.525 17.070 ( 3.136 -3.262 0.000) 4.525 17.070 ( -3.136 3.262 0.000) 4.525 17.070 ( 3.136 3.262 0.000) 4.525 17.944 ( -4.104 -11.579 0.000) 12.285 17.944 ( 4.104 -11.579 0.000) 12.285 17.944 ( -4.104 11.579 0.000) 12.285 17.944 ( 4.104 11.579 0.000) 12.285 18.446 ( -0.645 -4.402 0.000) 4.449 18.446 ( 0.645 -4.402 0.000) 4.449 18.446 ( -0.645 4.402 0.000) 4.449 18.446 ( 0.645 4.402 0.000) 4.449 19.137 ( -8.408 -8.854 0.000) 12.210 19.137 ( 8.408 -8.854 0.000) 12.210 19.137 ( -8.408 8.855 0.000) 12.210 19.137 ( 8.408 8.854 0.000) 12.210 19.938 ( -0.039 -5.851 0.000) 5.851 19.938 ( 0.039 -5.851 0.000) 5.851 19.938 ( -0.039 5.851 0.000) 5.851 19.938 ( 0.039 5.851 0.000) 5.851 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 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| 0.524 ( 0.000 0.000 25.608) 25.608 0.637 ( 0.000 0.000 23.817) 23.817 0.910 ( 0.000 0.000 -0.070) 0.070 0.973 ( 0.000 0.000 19.722) 19.722 1.128 ( 0.000 0.000 49.832) 49.832 1.247 ( 0.000 0.000 14.894) 14.894 1.871 ( 0.000 0.000 14.219) 14.219 2.352 ( 0.000 0.000 -0.219) 0.219 2.429 ( 0.000 0.000 -7.735) 7.735 2.509 ( 0.000 0.000 -8.624) 8.624 2.800 ( 0.000 0.000 0.258) 0.258 2.800 ( 0.000 0.000 4.617) 4.617 2.845 ( 0.000 0.000 7.679) 7.679 2.849 ( 0.000 0.000 13.243) 13.243 2.894 ( 0.000 0.000 -0.624) 0.624 2.999 ( 0.000 0.000 -12.986) 12.986 3.080 ( 0.000 0.000 1.275) 1.275 3.127 ( 0.000 0.000 -11.118) 11.118 3.140 ( 0.000 0.000 -0.082) 0.082 3.294 ( 0.000 0.000 -4.491) 4.491 3.349 ( 0.000 0.000 0.041) 0.041 3.580 ( 0.000 0.000 -1.524) 1.524 3.859 ( 0.000 0.000 -15.394) 15.394 4.012 ( 0.000 0.000 -4.051) 4.051 4.013 ( 0.000 0.000 -8.505) 8.505 4.092 ( 0.000 0.000 -7.245) 7.245 4.130 ( 0.000 0.000 8.463) 8.463 4.197 ( 0.000 0.000 -14.465) 14.465 4.278 ( 0.000 0.000 0.170) 0.170 4.357 ( 0.000 0.000 -10.311) 10.311 4.471 ( 0.000 0.000 10.194) 10.194 4.572 ( 0.000 0.000 11.880) 11.880 4.590 ( 0.000 0.000 3.308) 3.308 4.609 ( 0.000 0.000 1.264) 1.264 4.655 ( 0.000 0.000 1.927) 1.927 4.680 ( 0.000 0.000 4.784) 4.784 4.763 ( 0.000 0.000 3.153) 3.153 4.881 ( 0.000 0.000 -3.028) 3.028 4.903 ( 0.000 0.000 -1.244) 1.244 5.029 ( 0.000 0.000 5.318) 5.318 5.084 ( 0.000 0.000 -6.872) 6.872 5.177 ( 0.000 0.000 3.148) 3.148 5.216 ( 0.000 0.000 7.020) 7.020 5.528 ( 0.000 0.000 -3.423) 3.423 5.565 ( 0.000 0.000 6.165) 6.165 5.668 ( 0.000 0.000 -7.764) 7.764 5.683 ( 0.000 0.000 -3.415) 3.415 5.722 ( 0.000 0.000 4.589) 4.589 5.824 ( 0.000 0.000 -1.090) 1.090 5.832 ( 0.000 0.000 -1.953) 1.953 5.935 ( 0.000 0.000 -1.661) 1.661 5.981 ( 0.000 0.000 1.497) 1.497 6.049 ( 0.000 0.000 -0.010) 0.010 6.243 ( 0.000 0.000 3.499) 3.499 6.252 ( 0.000 0.000 -17.245) 17.245 6.286 ( 0.000 0.000 -2.336) 2.336 6.533 ( 0.000 0.000 -14.590) 14.590 6.555 ( 0.000 0.000 0.913) 0.913 6.612 ( 0.000 0.000 -9.394) 9.394 6.940 ( 0.000 0.000 14.743) 14.743 6.963 ( 0.000 0.000 -8.481) 8.481 7.086 ( 0.000 0.000 18.399) 18.399 7.640 ( 0.000 0.000 11.692) 11.692 7.697 ( 0.000 0.000 12.981) 12.981 8.151 ( 0.000 0.000 -2.585) 2.585 8.247 ( 0.000 0.000 -14.673) 14.673 8.253 ( 0.000 0.000 -2.739) 2.739 8.423 ( 0.000 0.000 -11.976) 11.976 8.732 ( 0.000 0.000 7.110) 7.110 8.737 ( 0.000 0.000 13.127) 13.127 8.744 ( 0.000 0.000 7.344) 7.344 8.826 ( 0.000 0.000 15.832) 15.832 9.072 ( 0.000 0.000 1.344) 1.344 9.176 ( 0.000 0.000 1.840) 1.840 9.499 ( 0.000 0.000 -7.918) 7.918 9.619 ( 0.000 0.000 -13.611) 13.611 9.634 ( 0.000 0.000 -13.414) 13.414 9.670 ( 0.000 0.000 -5.527) 5.527 9.694 ( 0.000 0.000 6.348) 6.348 9.704 ( 0.000 0.000 6.483) 6.483 9.843 ( 0.000 0.000 -4.669) 4.669 9.864 ( 0.000 0.000 -5.530) 5.530 10.343 ( 0.000 0.000 -10.686) 10.686 10.352 ( 0.000 0.000 -10.802) 10.802 10.847 ( 0.000 0.000 1.399) 1.399 10.850 ( 0.000 0.000 1.519) 1.519 10.866 ( 0.000 0.000 -4.085) 4.085 10.914 ( 0.000 0.000 -1.925) 1.925 10.964 ( 0.000 0.000 4.154) 4.154 10.978 ( 0.000 0.000 3.933) 3.933 11.320 ( 0.000 0.000 -18.283) 18.283 11.417 ( 0.000 0.000 -13.895) 13.895 11.459 ( 0.000 0.000 13.471) 13.471 11.547 ( 0.000 0.000 17.554) 17.554 11.731 ( 0.000 0.000 9.118) 9.118 11.824 ( 0.000 0.000 3.975) 3.975 11.849 ( 0.000 0.000 12.246) 12.246 11.979 ( 0.000 0.000 -4.695) 4.695 11.987 ( 0.000 0.000 -4.506) 4.506 12.011 ( 0.000 0.000 -0.229) 0.229 12.028 ( 0.000 0.000 -0.296) 0.296 12.351 ( 0.000 0.000 -3.974) 3.974 12.534 ( 0.000 0.000 12.427) 12.427 12.539 ( 0.000 0.000 12.146) 12.146 12.646 ( 0.000 0.000 2.351) 2.351 12.761 ( 0.000 0.000 -9.204) 9.204 13.150 ( 0.000 0.000 -5.317) 5.317 13.166 ( 0.000 0.000 -5.334) 5.334 13.198 ( 0.000 0.000 12.540) 12.540 13.494 ( 0.000 0.000 -1.839) 1.839 13.557 ( 0.000 0.000 0.647) 0.647 13.596 ( 0.000 0.000 -0.844) 0.844 13.654 ( 0.000 0.000 0.555) 0.555 14.093 ( 0.000 0.000 8.734) 8.734 14.105 ( 0.000 0.000 5.495) 5.495 14.142 ( 0.000 0.000 5.864) 5.864 14.187 ( 0.000 0.000 4.880) 4.880 14.219 ( 0.000 0.000 -5.397) 5.397 14.333 ( 0.000 0.000 0.215) 0.215 14.397 ( 0.000 0.000 5.039) 5.039 14.536 ( 0.000 0.000 -3.923) 3.923 14.562 ( 0.000 0.000 -3.204) 3.204 14.655 ( 0.000 0.000 -7.001) 7.001 14.937 ( 0.000 0.000 -6.470) 6.470 15.661 ( 0.000 0.000 2.322) 2.322 15.705 ( 0.000 0.000 1.698) 1.698 15.869 ( 0.000 0.000 -2.130) 2.130 15.876 ( 0.000 0.000 -2.355) 2.355 16.004 ( 0.000 0.000 0.442) 0.442 16.051 ( 0.000 0.000 0.723) 0.723 16.096 ( 0.000 0.000 -1.924) 1.924 16.141 ( 0.000 0.000 -1.090) 1.090 16.643 ( 0.000 0.000 1.334) 1.334 16.731 ( 0.000 0.000 0.467) 0.467 16.839 ( 0.000 0.000 6.311) 6.311 17.096 ( 0.000 0.000 -0.072) 0.072 17.151 ( 0.000 0.000 -3.335) 3.335 17.357 ( 0.000 0.000 3.007) 3.007 17.366 ( 0.000 0.000 1.540) 1.540 17.432 ( 0.000 0.000 -6.407) 6.407 17.473 ( 0.000 0.000 -0.905) 0.905 17.522 ( 0.000 0.000 0.969) 0.969 17.530 ( 0.000 0.000 -1.064) 1.064 17.588 ( 0.000 0.000 -0.525) 0.525 17.768 ( 0.000 0.000 -2.133) 2.133 17.908 ( 0.000 0.000 -3.298) 3.298 18.195 ( 0.000 0.000 7.107) 7.107 18.684 ( 0.000 0.000 18.260) 18.260 18.841 ( 0.000 0.000 -9.453) 9.453 19.237 ( 0.000 0.000 4.609) 4.609 19.414 ( 0.000 0.000 0.478) 0.478 19.579 ( 0.000 0.000 8.065) 8.065 20.057 ( 0.000 0.000 -4.978) 4.978 20.145 ( 0.000 0.000 -3.294) 3.294 20.415 ( 0.000 0.000 -2.134) 2.134 20.620 ( 0.000 0.000 -15.562) 15.562 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 1.096 0.000 22.223) 22.250 0.800 ( -5.927 0.000 11.617) 13.042 1.076 ( 5.390 0.000 11.056) 12.300 1.117 ( 23.092 0.000 28.818) 36.929 1.230 ( -1.633 0.000 13.877) 13.973 1.475 ( 37.277 0.000 20.586) 42.583 1.845 ( -4.281 0.000 25.940) 26.291 2.283 ( -0.340 0.000 -4.498) 4.511 2.437 ( 0.768 0.000 -7.921) 7.958 2.492 ( -1.379 0.000 -8.452) 8.563 2.667 ( -7.664 0.000 11.552) 13.863 2.810 ( -3.239 0.000 5.638) 6.503 2.816 ( 1.323 0.000 0.005) 1.323 2.879 ( -1.206 0.000 -0.830) 1.464 2.968 ( 4.393 0.000 3.856) 5.845 3.022 ( 1.924 0.000 -12.336) 12.485 3.068 ( -0.640 0.000 0.368) 0.738 3.111 ( -1.452 0.000 -11.270) 11.363 3.128 ( -4.248 0.000 0.257) 4.256 3.220 ( 1.086 0.000 -7.151) 7.233 3.462 ( -3.731 0.000 -8.489) 9.273 3.509 ( 4.764 0.000 1.881) 5.121 3.805 ( -16.299 0.000 -4.440) 16.893 3.871 ( -13.333 0.000 6.195) 14.702 4.013 ( -0.973 0.000 -10.315) 10.361 4.078 ( 2.205 0.000 -5.755) 6.163 4.148 ( 1.613 0.000 7.948) 8.110 4.171 ( 2.682 0.000 -6.336) 6.880 4.249 ( -2.353 0.000 2.889) 3.726 4.359 ( 5.656 0.000 -11.211) 12.557 4.507 ( 2.993 0.000 7.974) 8.517 4.524 ( -1.541 0.000 6.899) 7.069 4.583 ( 1.285 0.000 4.148) 4.342 4.619 ( 0.745 0.000 1.442) 1.623 4.644 ( -1.470 0.000 3.134) 3.462 4.662 ( -1.138 0.000 3.646) 3.819 4.710 ( -3.535 0.000 0.042) 3.536 4.781 ( -5.293 0.000 -2.100) 5.694 4.956 ( 2.626 0.000 -4.290) 5.030 5.050 ( 1.799 0.000 4.901) 5.221 5.076 ( -3.209 0.000 -6.145) 6.932 5.153 ( -2.070 0.000 3.364) 3.950 5.287 ( 5.459 0.000 2.283) 5.917 5.486 ( -3.008 0.000 -0.586) 3.064 5.564 ( -6.668 0.000 -3.313) 7.446 5.572 ( -2.035 0.000 2.899) 3.542 5.691 ( 0.714 0.000 -2.258) 2.369 5.720 ( -0.230 0.000 3.324) 3.332 5.847 ( 1.374 0.000 -2.100) 2.510 5.902 ( 4.891 0.000 -1.038) 5.000 5.979 ( -4.612 0.000 -2.675) 5.332 6.022 ( 1.386 0.000 -0.854) 1.628 6.112 ( 10.415 0.000 -2.649) 10.746 6.218 ( 1.576 0.000 -1.099) 1.921 6.329 ( 5.325 0.000 -14.557) 15.500 6.509 ( -2.298 0.000 -14.364) 14.547 6.563 ( 4.962 0.000 -4.607) 6.771 6.579 ( 8.591 0.000 -11.255) 14.159 6.682 ( 4.687 0.000 -8.891) 10.051 6.917 ( -3.746 0.000 -7.142) 8.065 6.986 ( 3.126 0.000 11.433) 11.852 7.072 ( -1.176 0.000 17.065) 17.106 7.648 ( 0.677 0.000 11.875) 11.895 7.688 ( -0.804 0.000 12.784) 12.810 8.166 ( 1.323 0.000 -2.593) 2.911 8.238 ( -1.351 0.000 -2.706) 3.025 8.268 ( 1.989 0.000 -14.431) 14.568 8.395 ( -2.576 0.000 -12.594) 12.854 8.734 ( 0.138 0.000 7.143) 7.144 8.742 ( -0.176 0.000 7.309) 7.311 8.768 ( 2.625 0.000 11.833) 12.121 8.843 ( 0.510 0.000 9.554) 9.567 9.080 ( 0.827 0.000 2.230) 2.379 9.152 ( -1.808 0.000 3.829) 4.235 9.621 ( 0.163 0.000 -13.487) 13.488 9.626 ( 7.295 0.000 -12.975) 14.886 9.631 ( -0.217 0.000 -13.326) 13.328 9.683 ( 1.202 0.000 -6.515) 6.625 9.696 ( 0.149 0.000 6.260) 6.262 9.703 ( -0.120 0.000 6.368) 6.369 9.857 ( 1.135 0.000 -4.530) 4.670 9.874 ( 0.667 0.000 -4.859) 4.905 10.345 ( 0.117 0.000 -10.704) 10.704 10.351 ( -0.111 0.000 -10.786) 10.786 10.847 ( 0.050 0.000 1.415) 1.416 10.850 ( -0.051 0.000 1.500) 1.501 10.871 ( 0.518 0.000 -4.067) 4.100 10.907 ( -0.632 0.000 -2.509) 2.588 10.966 ( 0.193 0.000 4.123) 4.128 10.976 ( -0.172 0.000 3.967) 3.971 11.316 ( -0.188 0.000 -15.336) 15.337 11.383 ( -2.705 0.000 -11.986) 12.287 11.484 ( 1.855 0.000 12.417) 12.555 11.542 ( -0.469 0.000 15.377) 15.384 11.737 ( 0.692 0.000 9.174) 9.200 11.810 ( -1.755 0.000 8.711) 8.886 11.856 ( 1.788 0.000 8.453) 8.640 11.980 ( 0.043 0.000 -4.574) 4.574 11.985 ( -0.178 0.000 -4.393) 4.396 12.015 ( 0.290 0.000 -0.392) 0.488 12.026 ( -0.160 0.000 -0.363) 0.397 12.240 ( -12.442 0.000 2.361) 12.664 12.535 ( 0.059 0.000 12.384) 12.384 12.538 ( -0.061 0.000 12.185) 12.185 12.640 ( -0.523 0.000 2.574) 2.627 12.720 ( -5.582 0.000 -4.163) 6.964 13.152 ( 0.202 0.000 -5.318) 5.322 13.164 ( -0.216 0.000 -5.330) 5.334 13.169 ( -2.725 0.000 12.381) 12.677 13.209 ( -22.861 0.000 39.673) 45.788 13.499 ( 0.620 0.000 -0.243) 0.665 13.587 ( -3.216 0.000 3.111) 4.475 13.644 ( -2.285 0.000 5.442) 5.902 13.653 ( -0.206 0.000 0.682) 0.712 14.116 ( 1.052 0.000 5.399) 5.500 14.147 ( 0.660 0.000 6.040) 6.076 14.175 ( -1.112 0.000 4.962) 5.085 14.198 ( -1.717 0.000 1.898) 2.559 14.283 ( 1.707 0.000 3.597) 3.981 14.336 ( -0.204 0.000 0.228) 0.306 14.540 ( 0.369 0.000 -3.808) 3.826 14.558 ( -0.304 0.000 -3.303) 3.317 14.879 ( 4.311 0.000 -10.283) 11.150 14.938 ( -0.114 0.000 -6.798) 6.799 15.668 ( 0.620 0.000 2.204) 2.289 15.699 ( -0.524 0.000 1.756) 1.832 15.871 ( 0.142 0.000 -2.138) 2.143 15.876 ( -0.046 0.000 -2.297) 2.297 16.010 ( 0.533 0.000 0.493) 0.726 16.043 ( -0.698 0.000 0.683) 0.976 16.104 ( 0.696 0.000 -1.799) 1.929 16.136 ( -0.503 0.000 -1.219) 1.319 16.642 ( 0.295 0.000 1.393) 1.424 16.747 ( 0.792 0.000 0.186) 0.814 16.787 ( -4.115 0.000 3.653) 5.502 16.903 ( -9.273 0.000 3.001) 9.747 17.110 ( -1.182 0.000 -0.407) 1.250 17.189 ( -2.406 0.000 1.494) 2.832 17.366 ( 0.149 0.000 1.269) 1.277 17.427 ( -2.684 0.000 0.048) 2.685 17.486 ( 6.483 0.000 0.156) 6.485 17.562 ( 2.053 0.000 0.154) 2.059 17.593 ( 0.287 0.000 -0.393) 0.487 17.617 ( 0.802 0.000 -2.663) 2.781 17.791 ( 3.795 0.000 2.026) 4.302 18.015 ( -1.023 0.000 7.336) 7.407 18.292 ( 5.918 0.000 -1.779) 6.180 18.569 ( -7.592 0.000 7.459) 10.643 18.956 ( 7.478 0.000 0.017) 7.478 19.204 ( -2.953 0.000 4.588) 5.456 19.520 ( 4.819 0.000 0.076) 4.819 19.579 ( 0.012 0.000 7.675) 7.675 19.959 ( -2.815 0.000 0.622) 2.883 20.077 ( -4.267 0.000 -4.584) 6.263 20.536 ( 4.088 0.000 -17.973) 18.432 20.609 ( -0.929 0.000 -16.823) 16.849 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -3.648 0.000 17.861) 18.230 0.695 ( 3.648 0.000 17.861) 18.230 1.174 ( -3.655 0.000 11.740) 12.296 1.174 ( 3.655 0.000 11.740) 12.296 1.517 ( -17.298 0.000 32.596) 36.901 1.517 ( 17.298 0.000 32.596) 36.901 2.284 ( -15.381 0.000 -0.166) 15.382 2.284 ( 15.381 0.000 -0.166) 15.382 2.460 ( -1.409 0.000 -8.210) 8.330 2.460 ( 1.409 0.000 -8.210) 8.330 2.624 ( -12.287 0.000 2.122) 12.469 2.624 ( 12.287 0.000 2.122) 12.469 2.848 ( -1.587 0.000 -0.493) 1.662 2.848 ( 1.587 0.000 -0.493) 1.662 3.031 ( -4.692 0.000 2.997) 5.567 3.031 ( 4.692 0.000 2.997) 5.567 3.070 ( -2.290 0.000 -11.687) 11.909 3.070 ( 2.290 0.000 -11.687) 11.909 3.139 ( -7.460 0.000 -0.859) 7.509 3.139 ( 7.460 0.000 -0.859) 7.509 3.413 ( -4.259 0.000 -1.433) 4.494 3.413 ( 4.259 0.000 -1.433) 4.494 3.656 ( -7.940 0.000 4.597) 9.175 3.656 ( 7.940 0.000 4.597) 9.175 4.066 ( -2.647 0.000 -7.922) 8.353 4.066 ( 2.647 0.000 -7.922) 8.353 4.194 ( -2.557 0.000 6.165) 6.674 4.194 ( 2.557 0.000 6.165) 6.674 4.348 ( -7.632 0.000 -7.311) 10.569 4.348 ( 7.632 0.000 -7.311) 10.569 4.569 ( -4.082 0.000 5.408) 6.775 4.569 ( 4.082 0.000 5.408) 6.775 4.581 ( -3.534 0.000 5.628) 6.646 4.581 ( 3.534 0.000 5.628) 6.646 4.642 ( -0.903 0.000 1.836) 2.046 4.642 ( 0.903 0.000 1.836) 2.046 4.681 ( -3.366 0.000 -6.550) 7.365 4.681 ( 3.366 0.000 -6.550) 7.365 5.007 ( -2.818 0.000 -4.607) 5.401 5.007 ( 2.818 0.000 -4.607) 5.401 5.099 ( -2.678 0.000 4.035) 4.843 5.099 ( 2.678 0.000 4.035) 4.843 5.402 ( -5.439 0.000 0.974) 5.525 5.402 ( 5.439 0.000 0.974) 5.525 5.511 ( -2.305 0.000 2.385) 3.317 5.511 ( 2.305 0.000 2.385) 3.317 5.709 ( -0.821 0.000 0.509) 0.966 5.709 ( 0.821 0.000 0.509) 0.966 5.894 ( -3.141 0.000 -2.845) 4.238 5.894 ( 3.141 0.000 -2.845) 4.238 5.995 ( -3.378 0.000 -2.092) 3.973 5.995 ( 3.378 0.000 -2.092) 3.973 6.235 ( -2.035 0.000 -1.136) 2.330 6.235 ( 2.035 0.000 -1.136) 2.330 6.437 ( -4.416 0.000 -13.984) 14.665 6.437 ( 4.416 0.000 -13.984) 14.665 6.645 ( -3.254 0.000 -9.034) 9.602 6.645 ( 3.254 0.000 -9.034) 9.602 6.803 ( -6.610 0.000 -7.592) 10.066 6.803 ( 6.610 0.000 -7.592) 10.066 7.040 ( -1.842 0.000 13.802) 13.925 7.040 ( 1.842 0.000 13.802) 13.925 7.667 ( -1.043 0.000 12.324) 12.368 7.667 ( 1.043 0.000 12.324) 12.368 8.202 ( -1.886 0.000 -2.638) 3.243 8.202 ( 1.886 0.000 -2.638) 3.243 8.327 ( -3.342 0.000 -13.563) 13.968 8.327 ( 3.342 0.000 -13.563) 13.968 8.738 ( -0.223 0.000 7.225) 7.228 8.738 ( 0.223 0.000 7.225) 7.228 8.825 ( -2.134 0.000 8.681) 8.940 8.825 ( 2.134 0.000 8.681) 8.940 9.110 ( -1.905 0.000 3.893) 4.334 9.110 ( 1.905 0.000 3.893) 4.334 9.626 ( -0.266 0.000 -13.306) 13.309 9.626 ( 0.266 0.000 -13.306) 13.309 9.700 ( -0.188 0.000 6.218) 6.221 9.700 ( 0.188 0.000 6.218) 6.221 9.702 ( -0.493 0.000 -9.679) 9.692 9.702 ( 0.493 0.000 -9.679) 9.692 9.878 ( -0.487 0.000 -4.370) 4.397 9.878 ( 0.487 0.000 -4.370) 4.397 10.348 ( -0.161 0.000 -10.745) 10.746 10.348 ( 0.161 0.000 -10.745) 10.746 10.848 ( -0.072 0.000 1.456) 1.458 10.848 ( 0.072 0.000 1.456) 1.458 10.888 ( -0.994 0.000 -3.663) 3.795 10.888 ( 0.994 0.000 -3.663) 3.795 10.971 ( -0.257 0.000 4.046) 4.055 10.971 ( 0.257 0.000 4.046) 4.055 11.329 ( -1.757 0.000 -11.723) 11.854 11.329 ( 1.757 0.000 -11.723) 11.854 11.523 ( -1.467 0.000 12.995) 13.078 11.523 ( 1.467 0.000 12.995) 13.078 11.766 ( -1.967 0.000 9.414) 9.617 11.766 ( 1.967 0.000 9.414) 9.617 11.959 ( -9.110 0.000 11.286) 14.504 11.959 ( 9.110 0.000 11.286) 14.504 11.981 ( -0.142 0.000 -4.403) 4.405 11.981 ( 0.142 0.000 -4.403) 4.405 12.021 ( -0.296 0.000 -0.457) 0.545 12.021 ( 0.296 0.000 -0.457) 0.545 12.537 ( -0.085 0.000 12.282) 12.283 12.537 ( 0.085 0.000 12.282) 12.283 12.637 ( -0.945 0.000 3.726) 3.844 12.637 ( 0.945 0.000 3.726) 3.844 13.100 ( -2.839 0.000 16.418) 16.661 13.100 ( 2.839 0.000 16.418) 16.661 13.158 ( -0.295 0.000 -5.322) 5.330 13.158 ( 0.295 0.000 -5.322) 5.330 13.528 ( -2.128 0.000 1.792) 2.782 13.528 ( 2.128 0.000 1.792) 2.782 13.646 ( -0.504 0.000 0.812) 0.955 13.646 ( 0.504 0.000 0.812) 0.955 14.145 ( -1.524 0.000 5.173) 5.393 14.145 ( 1.524 0.000 5.173) 5.393 14.167 ( -1.218 0.000 5.055) 5.200 14.167 ( 1.218 0.000 5.055) 5.200 14.320 ( -1.394 0.000 0.695) 1.558 14.320 ( 1.394 0.000 0.695) 1.558 14.550 ( -0.470 0.000 -3.548) 3.579 14.550 ( 0.470 0.000 -3.548) 3.579 14.926 ( -1.097 0.000 -7.737) 7.815 14.926 ( 1.097 0.000 -7.737) 7.815 15.684 ( -0.803 0.000 1.949) 2.108 15.684 ( 0.803 0.000 1.949) 2.108 15.874 ( -0.127 0.000 -2.193) 2.197 15.874 ( 0.127 0.000 -2.193) 2.197 16.025 ( -0.849 0.000 0.604) 1.042 16.025 ( 0.849 0.000 0.604) 1.042 16.121 ( -0.823 0.000 -1.522) 1.730 16.121 ( 0.823 0.000 -1.522) 1.730 16.679 ( -3.457 0.000 2.130) 4.060 16.679 ( 3.457 0.000 2.130) 4.060 16.797 ( -2.653 0.000 -0.170) 2.659 16.797 ( 2.653 0.000 -0.170) 2.659 17.135 ( -2.484 0.000 0.411) 2.518 17.135 ( 2.484 0.000 0.411) 2.518 17.381 ( -1.427 0.000 0.697) 1.588 17.381 ( 1.427 0.000 0.697) 1.588 17.590 ( -3.135 0.000 -2.407) 3.952 17.590 ( 3.135 0.000 -2.407) 3.952 17.591 ( -0.667 0.000 -0.159) 0.686 17.591 ( 0.667 0.000 -0.159) 0.686 17.921 ( -6.651 0.000 8.464) 10.765 17.921 ( 6.651 0.000 8.464) 10.765 18.415 ( -6.384 0.000 2.087) 6.717 18.415 ( 6.384 0.000 2.087) 6.717 19.107 ( -6.132 0.000 3.437) 7.030 19.107 ( 6.132 0.000 3.437) 7.030 19.573 ( -0.872 0.000 5.952) 6.015 19.573 ( 0.872 0.000 5.952) 6.015 19.981 ( -3.851 0.000 -4.253) 5.737 19.981 ( 3.851 0.000 -4.253) 5.737 20.585 ( -1.340 0.000 -18.939) 18.987 20.585 ( 1.340 0.000 -18.939) 18.987 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 10.256 21.736) 24.034 0.918 ( 0.000 20.401 18.506) 27.544 1.266 ( 0.000 27.519 -0.323) 27.521 1.386 ( 0.000 31.649 -0.725) 31.658 1.651 ( 0.000 30.494 8.359) 31.618 1.772 ( 0.000 41.085 34.046) 53.358 2.030 ( 0.000 18.100 7.081) 19.436 2.342 ( 0.000 2.370 6.749) 7.153 2.501 ( 0.000 3.517 -7.820) 8.575 2.585 ( 0.000 7.427 -2.989) 8.006 2.810 ( 0.000 0.871 4.446) 4.531 2.831 ( 0.000 2.905 10.990) 11.368 2.911 ( 0.000 6.404 5.448) 8.408 2.979 ( 0.000 1.767 -4.703) 5.024 2.996 ( 0.000 13.289 1.466) 13.369 3.104 ( 0.000 4.571 -1.886) 4.945 3.194 ( 0.000 8.912 -7.840) 11.870 3.213 ( 0.000 11.975 -9.258) 15.137 3.269 ( 0.000 -1.207 -2.628) 2.892 3.298 ( 0.000 12.347 -3.675) 12.882 3.465 ( 0.000 11.674 -4.765) 12.609 3.570 ( 0.000 -0.014 0.113) 0.114 3.862 ( 0.000 1.192 -10.561) 10.628 3.890 ( 0.000 -10.163 3.375) 10.709 4.017 ( 0.000 1.464 -4.809) 5.026 4.038 ( 0.000 0.755 -5.928) 5.976 4.166 ( 0.000 -0.413 -7.461) 7.472 4.175 ( 0.000 -0.713 -8.509) 8.539 4.195 ( 0.000 -6.450 0.212) 6.453 4.326 ( 0.000 -1.893 -8.684) 8.888 4.504 ( 0.000 -0.137 6.455) 6.456 4.575 ( 0.000 2.204 4.816) 5.297 4.610 ( 0.000 -0.666 3.786) 3.844 4.616 ( 0.000 1.744 2.994) 3.465 4.679 ( 0.000 2.083 7.029) 7.331 4.711 ( 0.000 0.243 0.273) 0.365 4.811 ( 0.000 1.756 2.136) 2.766 4.848 ( 0.000 -2.681 2.747) 3.838 5.021 ( 0.000 14.599 -0.556) 14.610 5.046 ( 0.000 1.235 -4.413) 4.583 5.158 ( 0.000 4.302 -3.878) 5.792 5.159 ( 0.000 -4.878 6.131) 7.835 5.272 ( 0.000 8.102 4.774) 9.404 5.486 ( 0.000 -3.483 -1.072) 3.644 5.552 ( 0.000 0.932 7.604) 7.661 5.588 ( 0.000 -6.337 -8.701) 10.764 5.663 ( 0.000 -2.746 1.865) 3.320 5.729 ( 0.000 -0.721 1.547) 1.707 5.757 ( 0.000 -6.246 -1.575) 6.441 5.781 ( 0.000 -4.044 1.223) 4.225 5.919 ( 0.000 -1.625 -2.731) 3.177 5.981 ( 0.000 -4.985 0.359) 4.998 5.993 ( 0.000 0.946 1.692) 1.938 6.145 ( 0.000 -6.505 -11.627) 13.323 6.244 ( 0.000 -0.448 2.947) 2.981 6.287 ( 0.000 -0.578 -2.474) 2.541 6.374 ( 0.000 -10.101 -6.276) 11.892 6.553 ( 0.000 -5.005 -7.319) 8.867 6.620 ( 0.000 1.667 -0.952) 1.920 6.904 ( 0.000 -5.085 -6.735) 8.439 7.084 ( 0.000 12.053 10.147) 15.756 7.182 ( 0.000 9.587 15.073) 17.863 7.749 ( 0.000 9.492 9.911) 13.723 7.807 ( 0.000 10.106 10.610) 14.653 8.188 ( 0.000 1.628 -2.883) 3.311 8.237 ( 0.000 0.928 -12.102) 12.137 8.300 ( 0.000 3.689 -5.477) 6.603 8.423 ( 0.000 -0.093 -11.027) 11.028 8.773 ( 0.000 3.234 11.958) 12.388 8.820 ( 0.000 8.208 6.454) 10.442 8.827 ( 0.000 7.600 6.742) 10.160 8.828 ( 0.000 0.506 15.064) 15.073 9.073 ( 0.000 0.261 1.243) 1.270 9.107 ( 0.000 -2.046 4.381) 4.835 9.508 ( 0.000 1.592 -8.924) 9.065 9.627 ( 0.000 0.753 -11.332) 11.357 9.690 ( 0.000 4.349 -11.494) 12.289 9.721 ( 0.000 4.568 -6.350) 7.822 9.810 ( 0.000 4.485 0.699) 4.539 9.833 ( 0.000 0.327 -3.728) 3.743 9.864 ( 0.000 4.300 0.114) 4.302 9.947 ( 0.000 9.889 0.836) 9.925 10.429 ( 0.000 7.226 -6.900) 9.991 10.432 ( 0.000 7.092 -7.369) 10.228 10.811 ( 0.000 -4.708 -1.136) 4.843 10.849 ( 0.000 -5.355 1.265) 5.502 10.957 ( 0.000 10.091 -1.036) 10.144 10.996 ( 0.000 1.956 0.614) 2.050 11.009 ( 0.000 2.171 0.847) 2.331 11.023 ( 0.000 9.924 -13.299) 16.594 11.329 ( 0.000 0.495 -16.891) 16.898 11.439 ( 0.000 2.658 -15.403) 15.631 11.482 ( 0.000 2.262 8.978) 9.259 11.559 ( 0.000 1.585 14.076) 14.165 11.676 ( 0.000 -2.830 8.309) 8.778 11.761 ( 0.000 -5.111 9.472) 10.763 11.775 ( 0.000 -3.907 1.745) 4.279 12.026 ( 0.000 0.387 -0.404) 0.559 12.056 ( 0.000 4.896 -3.879) 6.247 12.064 ( 0.000 1.971 1.891) 2.731 12.067 ( 0.000 5.396 -3.669) 6.525 12.319 ( 0.000 -2.731 -3.796) 4.676 12.512 ( 0.000 -2.629 10.103) 10.440 12.539 ( 0.000 -0.188 11.309) 11.310 12.572 ( 0.000 -8.798 -1.155) 8.874 12.603 ( 0.000 -10.865 -4.884) 11.912 12.799 ( 0.000 -20.996 5.243) 21.641 13.033 ( 0.000 -18.434 5.267) 19.172 13.331 ( 0.000 -13.260 14.985) 20.009 13.369 ( 0.000 -4.305 3.869) 5.789 13.437 ( 0.000 -2.714 3.448) 4.388 13.447 ( 0.000 -13.469 1.855) 13.596 13.481 ( 0.000 -14.340 4.794) 15.120 13.638 ( 0.000 2.203 4.026) 4.590 14.049 ( 0.000 -6.007 -4.128) 7.289 14.107 ( 0.000 -8.710 -2.152) 8.972 14.112 ( 0.000 -2.527 5.834) 6.358 14.174 ( 0.000 -5.190 8.608) 10.051 14.284 ( 0.000 6.121 3.757) 7.182 14.329 ( 0.000 2.673 4.605) 5.325 14.596 ( 0.000 -5.336 -6.410) 8.340 14.692 ( 0.000 8.808 -3.133) 9.348 14.816 ( 0.000 3.036 -7.055) 7.681 14.868 ( 0.000 -6.378 -6.552) 9.144 15.796 ( 0.000 11.597 2.309) 11.825 15.831 ( 0.000 10.377 2.344) 10.639 15.968 ( 0.000 7.946 -1.118) 8.025 16.047 ( 0.000 3.770 0.638) 3.824 16.107 ( 0.000 4.939 1.335) 5.117 16.132 ( 0.000 8.070 -3.277) 8.710 16.208 ( 0.000 9.410 -4.755) 10.543 16.316 ( 0.000 12.807 -11.466) 17.190 16.640 ( 0.000 -0.488 0.951) 1.069 16.682 ( 0.000 -4.326 0.373) 4.342 16.821 ( 0.000 -4.583 5.320) 7.022 16.963 ( 0.000 -12.313 3.343) 12.759 16.978 ( 0.000 -3.743 0.407) 3.765 17.160 ( 0.000 -1.661 -1.444) 2.201 17.254 ( 0.000 -11.205 -0.099) 11.206 17.302 ( 0.000 -4.045 0.060) 4.045 17.660 ( 0.000 12.566 -0.821) 12.593 17.675 ( 0.000 8.257 -1.658) 8.422 17.774 ( 0.000 6.976 -3.921) 8.002 17.821 ( 0.000 1.636 -2.449) 2.945 17.861 ( 0.000 10.829 -3.483) 11.375 18.015 ( 0.000 15.970 -2.698) 16.196 18.201 ( 0.000 0.984 3.189) 3.337 18.641 ( 0.000 -4.149 16.312) 16.831 18.835 ( 0.000 -0.478 -9.349) 9.361 19.208 ( 0.000 -2.745 5.024) 5.725 19.449 ( 0.000 2.440 -1.667) 2.955 19.615 ( 0.000 3.316 6.642) 7.424 20.015 ( 0.000 -7.079 -6.593) 9.674 20.081 ( 0.000 -3.798 -3.855) 5.411 20.226 ( 0.000 -10.353 7.267) 12.649 20.485 ( 0.000 -11.069 -11.486) 15.952 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 8.722 22.635 12.552) 27.312 1.239 ( -2.478 30.111 0.313) 30.215 1.310 ( 33.785 11.375 7.868) 36.507 1.405 ( 8.725 20.624 4.444) 22.830 1.611 ( -3.640 29.097 9.483) 30.819 1.835 ( 7.753 36.636 27.787) 46.631 2.044 ( -2.209 22.136 22.619) 31.725 2.265 ( -0.701 0.369 -2.368) 2.497 2.510 ( -1.809 3.045 -4.387) 5.638 2.563 ( -3.341 4.208 -0.305) 5.382 2.713 ( -0.932 8.639 5.418) 10.240 2.883 ( -2.313 5.886 2.443) 6.779 2.926 ( 1.478 1.743 0.964) 2.480 2.945 ( -1.147 5.438 -1.432) 5.739 3.014 ( 0.850 10.147 3.071) 10.636 3.105 ( -1.622 3.360 -0.167) 3.734 3.142 ( -1.516 1.773 -6.677) 7.072 3.211 ( 0.625 13.656 -11.163) 17.649 3.258 ( -1.250 8.954 -2.947) 9.509 3.298 ( -0.649 10.986 -8.795) 14.087 3.477 ( -5.340 2.477 -6.957) 9.113 3.531 ( 4.958 3.419 1.169) 6.134 3.772 ( -13.228 -3.017 -1.533) 13.654 3.834 ( -11.643 -2.066 4.837) 12.776 4.004 ( -0.041 -0.075 -6.616) 6.617 4.053 ( 2.815 -1.254 -6.120) 6.852 4.151 ( 2.359 -3.749 1.270) 4.608 4.166 ( -0.473 -0.412 -1.115) 1.279 4.206 ( -1.174 -0.355 -3.995) 4.179 4.334 ( 5.496 -2.542 -10.420) 12.051 4.484 ( 0.829 -1.079 3.831) 4.066 4.535 ( -3.147 0.543 6.452) 7.199 4.587 ( -0.366 -0.862 -1.653) 1.900 4.651 ( 0.885 1.516 6.080) 6.329 4.666 ( -0.194 3.134 3.285) 4.545 4.685 ( -0.907 2.616 0.362) 2.793 4.783 ( -1.880 3.103 -0.117) 3.629 4.828 ( -1.443 2.563 2.876) 4.114 5.014 ( 0.181 7.503 -1.163) 7.595 5.073 ( -1.104 2.636 -1.202) 3.100 5.128 ( 1.105 3.822 -0.097) 3.980 5.195 ( -0.472 0.514 0.179) 0.720 5.305 ( 4.029 3.949 4.206) 7.037 5.435 ( -2.832 -3.331 -2.056) 4.831 5.514 ( -3.170 -2.132 5.825) 6.966 5.529 ( -5.962 -2.699 -3.220) 7.294 5.687 ( 1.977 -1.667 0.164) 2.591 5.739 ( -0.581 0.106 2.446) 2.516 5.789 ( 3.572 -3.310 -1.987) 5.260 5.881 ( 3.751 -5.961 -1.380) 7.177 5.938 ( -1.369 -2.332 -1.868) 3.287 6.000 ( 2.507 -3.335 -1.647) 4.485 6.050 ( 6.001 -2.533 0.564) 6.538 6.151 ( -0.647 -6.571 -2.876) 7.202 6.204 ( 3.771 -6.574 -6.722) 10.131 6.344 ( -1.726 -10.125 -6.802) 12.319 6.530 ( 10.734 -4.059 -6.684) 13.280 6.612 ( 3.391 -3.934 -4.714) 7.014 6.623 ( 1.702 -0.701 -4.450) 4.815 6.861 ( -3.900 -4.912 -6.256) 8.858 7.103 ( 1.575 11.170 10.508) 15.416 7.170 ( -1.075 9.759 14.236) 17.293 7.756 ( 0.662 9.506 10.014) 13.823 7.797 ( -0.869 9.953 10.484) 14.482 8.209 ( 1.725 2.812 -2.882) 4.381 8.254 ( 1.520 0.335 -10.923) 11.033 8.288 ( -0.934 3.411 -6.513) 7.412 8.392 ( -2.738 -0.302 -11.317) 11.647 8.790 ( 1.392 2.291 11.187) 11.503 8.821 ( 0.068 7.212 7.111) 10.128 8.825 ( -0.093 7.079 7.271) 10.149 8.833 ( 0.115 1.467 10.819) 10.919 9.078 ( 0.443 0.016 1.922) 1.973 9.106 ( -0.292 -1.757 4.347) 4.698 9.562 ( 3.918 0.184 -8.528) 9.387 9.629 ( 0.131 0.695 -11.096) 11.118 9.688 ( -0.040 4.200 -10.754) 11.545 9.715 ( -0.545 4.283 -5.967) 7.365 9.822 ( 1.072 3.719 -0.667) 3.927 9.840 ( 0.488 0.675 -3.353) 3.455 9.882 ( 1.573 4.982 0.630) 5.263 9.946 ( -0.318 9.042 0.638) 9.070 10.430 ( 0.065 7.224 -6.979) 10.045 10.432 ( -0.015 7.125 -7.325) 10.218 10.813 ( 0.217 -4.778 -0.891) 4.866 10.839 ( -0.765 -5.127 0.741) 5.236 10.978 ( 1.703 10.516 -1.773) 10.800 10.998 ( 0.224 2.410 0.327) 2.442 11.007 ( -0.158 2.438 0.592) 2.514 11.029 ( 0.321 10.711 -12.445) 16.422 11.323 ( -0.291 0.443 -14.906) 14.916 11.408 ( -2.730 3.195 -14.236) 14.843 11.501 ( 1.517 1.831 8.913) 9.224 11.554 ( -0.539 1.455 12.443) 12.539 11.681 ( 0.482 -3.015 8.309) 8.852 11.738 ( -1.756 -4.631 8.853) 10.144 11.792 ( 1.780 -4.282 3.222) 5.646 12.013 ( -2.184 -0.962 -0.478) 2.434 12.050 ( -0.337 3.938 -2.108) 4.480 12.055 ( -0.710 4.416 -2.671) 5.209 12.080 ( 0.847 3.655 -0.114) 3.754 12.234 ( -8.806 -0.308 0.185) 8.813 12.507 ( -0.417 -3.344 9.225) 9.822 12.529 ( -1.231 -1.674 10.898) 11.094 12.566 ( -0.551 -8.614 -0.163) 8.633 12.591 ( -1.591 -7.751 -1.197) 8.003 12.779 ( -1.716 -20.560 10.945) 23.355 12.861 ( -8.050 -17.803 18.604) 26.979 13.252 ( -1.261 -2.325 3.819) 4.645 13.328 ( -2.603 0.329 -1.859) 3.216 13.435 ( 0.221 -7.988 1.340) 8.103 13.455 ( -0.101 -11.353 2.550) 11.636 13.507 ( 2.148 -8.448 6.378) 10.801 13.614 ( -2.099 1.043 4.539) 5.108 14.050 ( 0.057 -5.790 -2.699) 6.388 14.070 ( -1.335 -5.224 1.530) 5.604 14.144 ( 1.339 -5.370 2.062) 5.906 14.172 ( -0.050 -5.048 6.863) 8.520 14.295 ( 0.850 5.375 4.228) 6.891 14.326 ( -0.319 2.967 4.727) 5.591 14.635 ( 2.051 0.182 -5.299) 5.685 14.685 ( -0.610 7.993 -3.369) 8.695 14.836 ( 1.465 -1.943 -7.273) 7.670 14.872 ( 0.112 -5.547 -6.493) 8.541 15.803 ( 0.585 11.495 2.219) 11.722 15.827 ( -0.355 10.586 2.228) 10.824 15.980 ( 1.186 8.951 -1.152) 9.102 16.055 ( 0.752 4.014 0.697) 4.143 16.092 ( -1.561 6.523 0.229) 6.711 16.126 ( -2.103 12.185 -3.895) 12.964 16.183 ( -1.741 8.034 -3.917) 9.106 16.231 ( -3.311 8.637 -1.910) 9.445 16.623 ( -0.494 -2.155 1.706) 2.792 16.707 ( 0.307 -3.599 -0.651) 3.670 16.755 ( -3.612 -3.947 2.873) 6.073 16.845 ( -4.935 -3.706 1.316) 6.311 17.032 ( 2.602 -4.084 1.552) 5.085 17.156 ( -1.636 -2.262 0.562) 2.848 17.237 ( -0.374 -8.908 -0.665) 8.941 17.280 ( -1.616 -4.825 -0.667) 5.132 17.642 ( -0.512 9.192 -0.481) 9.219 17.698 ( 2.401 8.641 0.462) 8.980 17.710 ( 1.485 10.526 1.141) 10.692 17.782 ( -0.362 6.617 -1.293) 6.752 17.970 ( 0.861 12.774 0.466) 12.811 18.034 ( -0.247 5.878 4.815) 7.602 18.282 ( 5.574 -0.832 -2.118) 6.021 18.540 ( -6.829 -2.685 7.488) 10.483 18.938 ( 7.001 -1.623 -1.128) 7.274 19.177 ( -2.907 -2.530 4.804) 6.158 19.527 ( 4.849 0.312 -1.553) 5.101 19.613 ( -0.197 3.071 6.319) 7.029 19.944 ( -4.276 -1.386 1.782) 4.835 19.992 ( -3.505 -8.790 -6.263) 11.348 20.341 ( 4.885 -13.413 -8.778) 16.758 20.463 ( -1.847 -11.863 -12.594) 17.399 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -5.186 29.539 3.754) 30.225 1.162 ( 5.186 29.539 3.754) 30.225 1.483 ( -6.677 21.815 9.067) 24.550 1.483 ( 6.677 21.815 9.067) 24.550 1.839 ( -11.081 29.974 25.691) 41.003 1.839 ( 11.081 29.974 25.691) 41.003 2.283 ( -17.080 1.709 -0.436) 17.171 2.283 ( 17.080 1.709 -0.436) 17.171 2.441 ( -7.403 0.028 0.136) 7.404 2.441 ( 7.403 0.028 0.136) 7.404 2.790 ( -6.991 13.691 -2.047) 15.508 2.790 ( 6.991 13.691 -2.047) 15.508 2.945 ( -2.327 6.197 -2.006) 6.917 2.945 ( 2.327 6.197 -2.006) 6.917 3.030 ( -8.254 0.520 1.603) 8.424 3.030 ( 8.254 0.520 1.603) 8.424 3.165 ( -4.800 6.203 -1.168) 7.930 3.165 ( 4.800 6.203 -1.168) 7.930 3.247 ( -0.532 10.181 -8.526) 13.290 3.247 ( 0.532 10.181 -8.526) 13.290 3.444 ( -5.830 4.890 -0.910) 7.663 3.444 ( 5.830 4.890 -0.910) 7.663 3.659 ( -6.649 1.023 3.666) 7.661 3.659 ( 6.649 1.023 3.666) 7.661 4.063 ( -2.860 -0.026 -8.275) 8.755 4.063 ( 2.860 -0.026 -8.275) 8.755 4.146 ( -0.623 -4.811 2.581) 5.495 4.146 ( 0.623 -4.811 2.581) 5.495 4.337 ( -6.702 -1.012 -6.655) 9.499 4.337 ( 6.702 -1.012 -6.655) 9.499 4.499 ( -1.489 -2.028 6.667) 7.126 4.499 ( 1.489 -2.028 6.667) 7.126 4.622 ( -3.353 -0.424 -7.445) 8.176 4.622 ( 3.353 -0.424 -7.445) 8.176 4.672 ( -0.788 4.468 6.612) 8.019 4.672 ( 0.788 4.468 6.612) 8.019 4.780 ( -2.169 4.751 -0.049) 5.223 4.780 ( 2.169 4.751 -0.049) 5.223 5.039 ( -1.949 4.955 0.091) 5.325 5.039 ( 1.949 4.955 0.091) 5.325 5.163 ( -1.900 3.420 0.611) 3.960 5.163 ( 1.900 3.420 0.611) 3.960 5.405 ( -3.670 0.380 3.180) 4.871 5.405 ( 3.670 0.380 3.180) 4.871 5.438 ( -1.669 -3.586 0.133) 3.957 5.438 ( 1.669 -3.586 0.133) 3.957 5.719 ( -1.162 -0.572 1.495) 1.978 5.719 ( 1.162 -0.572 1.495) 1.978 5.861 ( -2.849 -2.775 -3.053) 5.013 5.861 ( 2.849 -2.775 -3.053) 5.013 5.975 ( -2.902 -2.481 -1.411) 4.071 5.975 ( 2.902 -2.481 -1.411) 4.071 6.154 ( -1.775 -6.890 -0.852) 7.166 6.154 ( 1.775 -6.890 -0.852) 7.166 6.287 ( -3.505 -9.597 -7.441) 12.639 6.287 ( 3.505 -9.597 -7.441) 12.639 6.634 ( -0.161 -2.955 -6.552) 7.189 6.634 ( 0.161 -2.955 -6.552) 7.189 6.746 ( -6.623 -4.768 -5.812) 10.019 6.746 ( 6.623 -4.768 -5.812) 10.019 7.140 ( -1.672 10.107 12.178) 15.913 7.140 ( 1.672 10.107 12.178) 15.913 7.775 ( -1.080 9.666 10.235) 14.119 7.775 ( 1.080 9.666 10.235) 14.119 8.248 ( -1.748 3.828 -3.692) 5.598 8.248 ( 1.748 3.828 -3.692) 5.598 8.320 ( -3.495 -0.631 -12.144) 12.653 8.320 ( 3.495 -0.631 -12.144) 12.653 8.817 ( -0.742 2.891 9.083) 9.560 8.817 ( 0.742 2.891 9.083) 9.560 8.827 ( -0.450 5.511 7.624) 9.418 8.827 ( 0.450 5.511 7.624) 9.418 9.092 ( -0.837 -0.772 3.338) 3.527 9.092 ( 0.837 -0.772 3.338) 3.527 9.622 ( -1.243 0.142 -9.835) 9.915 9.622 ( 1.243 0.142 -9.835) 9.915 9.697 ( -0.954 4.036 -7.313) 8.407 9.697 ( 0.954 4.036 -7.313) 8.407 9.843 ( -0.479 1.375 -2.823) 3.176 9.843 ( 0.479 1.375 -2.823) 3.176 9.922 ( -1.883 7.529 1.151) 7.846 9.922 ( 1.883 7.529 1.151) 7.846 10.431 ( -0.052 7.193 -7.171) 10.157 10.431 ( 0.052 7.193 -7.171) 10.157 10.822 ( -0.708 -4.939 -0.191) 4.993 10.822 ( 0.708 -4.939 -0.191) 4.993 10.999 ( -0.303 2.600 0.837) 2.748 10.999 ( 0.303 2.600 0.837) 2.748 11.022 ( -1.208 11.967 -7.923) 14.403 11.022 ( 1.208 11.967 -7.923) 14.403 11.342 ( -2.501 1.832 -12.418) 12.799 11.342 ( 2.501 1.832 -12.418) 12.799 11.534 ( -1.338 1.353 9.981) 10.161 11.534 ( 1.338 1.353 9.981) 10.161 11.701 ( -1.466 -3.779 8.416) 9.342 11.701 ( 1.466 -3.779 8.416) 9.342 11.879 ( -7.115 -4.619 5.602) 10.166 11.879 ( 7.115 -4.619 5.602) 10.166 12.046 ( -0.102 4.072 -2.215) 4.636 12.046 ( 0.102 4.072 -2.215) 4.636 12.106 ( -2.096 4.387 1.606) 5.121 12.106 ( 2.096 4.387 1.606) 5.121 12.504 ( -0.466 -4.330 8.689) 9.720 12.504 ( 0.466 -4.330 8.689) 9.720 12.567 ( -0.647 -5.084 3.320) 6.106 12.567 ( 0.647 -5.084 3.320) 6.106 12.786 ( -1.902 -18.116 10.038) 20.798 12.786 ( 1.902 -18.116 10.038) 20.798 13.273 ( -2.237 -0.140 -1.736) 2.835 13.273 ( 2.237 -0.140 -1.736) 2.835 13.445 ( -0.632 -10.514 1.995) 10.720 13.445 ( 0.632 -10.514 1.995) 10.720 13.560 ( -2.692 -2.551 5.776) 6.864 13.560 ( 2.692 -2.551 5.776) 6.864 14.053 ( -0.348 -5.459 -0.097) 5.470 14.053 ( 0.348 -5.459 -0.097) 5.470 14.166 ( -0.659 -4.888 3.747) 6.193 14.166 ( 0.659 -4.888 3.747) 6.193 14.314 ( -0.791 3.844 4.716) 6.135 14.314 ( 0.791 3.844 4.716) 6.135 14.667 ( -1.092 5.629 -4.061) 7.026 14.667 ( 1.092 5.629 -4.061) 7.026 14.864 ( -0.941 -4.657 -6.830) 8.320 14.864 ( 0.941 -4.657 -6.830) 8.320 15.816 ( -0.640 11.084 2.115) 11.302 15.816 ( 0.640 11.084 2.115) 11.302 16.024 ( -3.183 11.963 -1.815) 12.511 16.024 ( 3.183 11.963 -1.815) 12.511 16.079 ( -1.376 5.019 0.822) 5.269 16.079 ( 1.376 5.019 0.822) 5.269 16.192 ( -1.375 6.477 -1.831) 6.870 16.192 ( 1.375 6.477 -1.831) 6.870 16.644 ( -2.739 -3.326 1.843) 4.686 16.644 ( 2.739 -3.326 1.843) 4.686 16.772 ( -2.462 -2.125 -0.781) 3.345 16.772 ( 2.462 -2.125 -0.781) 3.345 17.096 ( -3.278 -3.212 1.498) 4.827 17.096 ( 3.278 -3.212 1.498) 4.827 17.248 ( -1.185 -6.100 -1.006) 6.295 17.248 ( 1.185 -6.100 -1.006) 6.295 17.678 ( -2.407 8.497 0.829) 8.870 17.678 ( 2.407 8.497 0.829) 8.870 17.773 ( -1.623 7.437 0.499) 7.629 17.773 ( 1.623 7.437 0.499) 7.629 17.996 ( -2.196 9.211 4.355) 10.423 17.996 ( 2.196 9.211 4.355) 10.423 18.400 ( -5.929 -1.386 1.755) 6.337 18.400 ( 5.929 -1.386 1.755) 6.337 19.082 ( -5.947 -2.236 3.187) 7.108 19.082 ( 5.947 -2.236 3.187) 7.108 19.597 ( -1.667 1.874 3.872) 4.613 19.597 ( 1.667 1.874 3.872) 4.613 19.924 ( -2.068 -5.770 -3.996) 7.317 19.924 ( 2.068 -5.770 -3.996) 7.317 20.415 ( -2.619 -13.367 -13.508) 19.183 20.415 ( 2.619 -13.367 -13.508) 19.183 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 20.486 13.474) 24.519 1.414 ( 0.000 24.693 0.600) 24.700 1.851 ( 0.000 26.089 -0.852) 26.103 1.930 ( 0.000 20.747 0.039) 20.747 2.163 ( 0.000 19.028 2.451) 19.186 2.344 ( 0.000 9.403 5.420) 10.853 2.538 ( 0.000 27.353 5.792) 27.960 2.547 ( 0.000 -0.066 -4.577) 4.578 2.660 ( 0.000 0.850 5.328) 5.395 2.876 ( 0.000 40.718 14.483) 43.217 2.897 ( 0.000 3.359 11.555) 12.034 2.939 ( 0.000 8.362 -1.563) 8.507 3.021 ( 0.000 4.291 3.317) 5.424 3.063 ( 0.000 8.825 -6.892) 11.198 3.178 ( 0.000 3.602 0.143) 3.605 3.251 ( 0.000 7.581 -4.308) 8.720 3.316 ( 0.000 9.329 0.231) 9.331 3.358 ( 0.000 8.952 4.614) 10.071 3.443 ( 0.000 3.830 7.269) 8.216 3.572 ( 0.000 12.593 -11.689) 17.182 3.636 ( 0.000 0.681 -3.697) 3.759 3.689 ( 0.000 5.603 -8.860) 10.483 3.776 ( 0.000 4.618 -0.571) 4.653 3.922 ( 0.000 1.724 -2.301) 2.875 4.042 ( 0.000 -1.166 5.468) 5.591 4.047 ( 0.000 -2.657 -7.412) 7.874 4.114 ( 0.000 1.278 -11.344) 11.416 4.153 ( 0.000 4.124 -7.054) 8.171 4.168 ( 0.000 2.156 -10.927) 11.137 4.316 ( 0.000 3.039 -6.752) 7.404 4.444 ( 0.000 -4.338 -0.457) 4.362 4.484 ( 0.000 -9.779 -5.903) 11.423 4.611 ( 0.000 -1.349 6.045) 6.193 4.665 ( 0.000 4.614 8.765) 9.905 4.682 ( 0.000 -0.790 -3.271) 3.365 4.725 ( 0.000 -0.276 0.261) 0.380 4.876 ( 0.000 4.828 8.567) 9.833 4.931 ( 0.000 5.154 5.543) 7.568 5.060 ( 0.000 -2.332 5.478) 5.953 5.089 ( 0.000 1.257 -4.997) 5.152 5.198 ( 0.000 1.176 -4.950) 5.087 5.290 ( 0.000 5.288 -3.681) 6.443 5.388 ( 0.000 -1.526 -0.295) 1.554 5.412 ( 0.000 -5.657 -1.600) 5.879 5.453 ( 0.000 2.919 5.355) 6.099 5.558 ( 0.000 -5.963 3.461) 6.895 5.598 ( 0.000 -6.423 4.926) 8.095 5.670 ( 0.000 5.877 6.273) 8.596 5.701 ( 0.000 0.334 1.087) 1.137 5.756 ( 0.000 2.798 1.031) 2.982 5.857 ( 0.000 -3.752 -2.277) 4.389 5.886 ( 0.000 -4.103 2.597) 4.856 5.966 ( 0.000 -4.453 0.222) 4.459 6.060 ( 0.000 -1.589 -6.645) 6.832 6.159 ( 0.000 -7.906 -3.333) 8.580 6.237 ( 0.000 -4.593 -2.939) 5.453 6.258 ( 0.000 0.769 2.510) 2.625 6.446 ( 0.000 -4.163 -3.285) 5.303 6.624 ( 0.000 -0.593 2.291) 2.366 6.785 ( 0.000 -5.550 -3.043) 6.330 7.371 ( 0.000 14.400 8.215) 16.578 7.461 ( 0.000 16.081 10.373) 19.136 8.001 ( 0.000 13.817 5.221) 14.770 8.075 ( 0.000 14.298 6.441) 15.682 8.157 ( 0.000 -3.257 -3.579) 4.839 8.327 ( 0.000 6.006 -8.637) 10.520 8.391 ( 0.000 4.438 -5.724) 7.243 8.407 ( 0.000 -1.687 -7.878) 8.056 8.844 ( 0.000 2.715 10.227) 10.581 8.866 ( 0.000 3.343 10.732) 11.241 8.998 ( 0.000 4.328 2.102) 4.812 9.041 ( 0.000 8.385 3.732) 9.178 9.103 ( 0.000 4.887 3.483) 6.001 9.126 ( 0.000 8.264 3.590) 9.010 9.572 ( 0.000 3.812 -10.772) 11.426 9.645 ( 0.000 0.658 -8.806) 8.831 9.788 ( 0.000 5.948 -4.868) 7.686 9.830 ( 0.000 1.330 -2.601) 2.922 9.845 ( 0.000 2.289 -2.153) 3.143 9.867 ( 0.000 9.177 -4.402) 10.179 10.035 ( 0.000 7.526 6.917) 10.222 10.088 ( 0.000 4.999 6.517) 8.214 10.564 ( 0.000 1.458 2.178) 2.621 10.575 ( 0.000 3.010 2.675) 4.027 10.701 ( 0.000 -3.315 2.956) 4.442 10.714 ( 0.000 -4.931 3.239) 5.900 11.037 ( 0.000 2.460 -6.389) 6.847 11.059 ( 0.000 3.216 -6.755) 7.482 11.102 ( 0.000 -0.301 -18.024) 18.026 11.231 ( 0.000 8.951 -10.858) 14.072 11.334 ( 0.000 3.632 -11.575) 12.131 11.520 ( 0.000 3.289 -11.625) 12.081 11.543 ( 0.000 3.211 -3.294) 4.600 11.610 ( 0.000 1.906 0.376) 1.942 11.675 ( 0.000 -5.631 -1.534) 5.836 11.685 ( 0.000 3.373 8.141) 8.812 11.715 ( 0.000 2.333 10.557) 10.812 11.976 ( 0.000 -5.954 -0.767) 6.003 12.017 ( 0.000 -8.516 1.097) 8.587 12.142 ( 0.000 2.531 -3.085) 3.990 12.157 ( 0.000 2.840 -2.812) 3.997 12.189 ( 0.000 -14.155 -4.537) 14.865 12.322 ( 0.000 -8.858 -0.016) 8.858 12.371 ( 0.000 -12.558 3.589) 13.060 12.436 ( 0.000 -3.664 6.231) 7.229 12.460 ( 0.000 -7.878 5.601) 9.666 12.509 ( 0.000 -2.264 7.758) 8.081 12.655 ( 0.000 -11.630 12.699) 17.220 13.089 ( 0.000 -18.824 4.837) 19.436 13.131 ( 0.000 -18.077 6.735) 19.290 13.157 ( 0.000 -6.122 -3.199) 6.907 13.244 ( 0.000 -8.370 -7.999) 11.578 13.486 ( 0.000 4.618 7.570) 8.867 13.690 ( 0.000 1.758 7.277) 7.486 13.914 ( 0.000 -6.574 0.173) 6.577 13.942 ( 0.000 -3.711 2.320) 4.377 14.049 ( 0.000 -2.922 6.127) 6.788 14.097 ( 0.000 -2.438 5.726) 6.224 14.350 ( 0.000 -4.612 -3.735) 5.935 14.452 ( 0.000 7.957 1.845) 8.168 14.496 ( 0.000 0.178 0.138) 0.225 14.682 ( 0.000 -11.136 -5.649) 12.487 14.816 ( 0.000 0.475 -4.760) 4.784 14.836 ( 0.000 1.840 -3.889) 4.303 16.049 ( 0.000 8.895 2.236) 9.172 16.084 ( 0.000 13.817 2.299) 14.007 16.129 ( 0.000 5.912 0.553) 5.937 16.147 ( 0.000 5.914 1.143) 6.024 16.234 ( 0.000 6.707 2.197) 7.058 16.303 ( 0.000 5.648 -2.097) 6.024 16.419 ( 0.000 3.956 -5.316) 6.627 16.471 ( 0.000 10.245 -3.662) 10.880 16.599 ( 0.000 -2.749 -1.893) 3.338 16.603 ( 0.000 -4.386 -0.321) 4.397 16.680 ( 0.000 -3.237 3.272) 4.603 16.792 ( 0.000 -3.136 1.743) 3.587 17.007 ( 0.000 3.173 2.169) 3.843 17.101 ( 0.000 -3.362 1.366) 3.629 17.121 ( 0.000 -1.946 -2.534) 3.194 17.248 ( 0.000 -1.836 2.098) 2.788 17.744 ( 0.000 0.446 -1.610) 1.671 17.778 ( 0.000 -2.049 -2.492) 3.226 17.914 ( 0.000 9.471 -0.611) 9.491 17.928 ( 0.000 4.615 -1.317) 4.799 18.068 ( 0.000 11.111 3.400) 11.620 18.249 ( 0.000 4.141 -0.535) 4.175 18.373 ( 0.000 14.320 -6.096) 15.564 18.539 ( 0.000 -4.018 12.456) 13.088 18.835 ( 0.000 1.646 -7.389) 7.570 19.127 ( 0.000 -4.927 5.562) 7.431 19.483 ( 0.000 0.238 -3.086) 3.095 19.679 ( 0.000 -23.104 -9.882) 25.128 19.708 ( 0.000 5.329 3.809) 6.550 20.039 ( 0.000 -1.445 -2.790) 3.142 20.081 ( 0.000 -4.145 5.811) 7.137 20.264 ( 0.000 -8.790 -3.767) 9.563 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 36.088 9.040 7.078) 37.871 1.509 ( 8.274 23.962 1.333) 25.386 1.838 ( -2.136 25.420 -0.838) 25.523 1.895 ( -0.913 20.442 2.011) 20.561 2.138 ( -5.139 21.964 4.852) 23.074 2.295 ( -1.231 6.549 -3.438) 7.499 2.472 ( -2.590 6.643 9.074) 11.540 2.603 ( -5.067 5.579 1.892) 7.770 2.661 ( 4.893 22.090 6.512) 23.544 2.846 ( -2.374 27.148 11.630) 29.630 2.907 ( 1.997 6.801 5.964) 9.263 2.946 ( 0.376 13.825 2.941) 14.139 3.022 ( -0.251 5.259 2.680) 5.907 3.093 ( 2.347 7.077 -7.714) 10.729 3.177 ( -0.396 8.076 -2.444) 8.447 3.213 ( -2.920 4.343 -1.279) 5.387 3.279 ( -1.604 11.382 -0.201) 11.496 3.368 ( -0.772 4.337 -2.360) 4.998 3.429 ( -1.294 3.797 1.894) 4.436 3.531 ( -7.678 2.824 -4.362) 9.271 3.606 ( -0.780 9.057 -7.034) 11.494 3.686 ( 2.628 10.086 -3.101) 10.875 3.769 ( -3.281 3.811 -2.496) 5.614 3.848 ( -8.386 5.178 0.293) 9.860 3.985 ( -0.465 -2.022 -1.855) 2.783 4.018 ( -0.352 -4.324 -0.343) 4.352 4.085 ( -0.597 0.586 -7.073) 7.122 4.143 ( -2.242 1.930 -10.824) 11.221 4.275 ( 5.312 -0.787 -5.780) 7.889 4.294 ( 0.337 6.518 -1.442) 6.684 4.434 ( 1.057 -3.341 -3.848) 5.204 4.499 ( 0.526 -5.099 -3.414) 6.159 4.596 ( -1.501 3.107 4.426) 5.612 4.634 ( -0.906 -1.257 1.110) 1.906 4.704 ( 0.996 0.290 -0.626) 1.212 4.771 ( 3.412 2.537 2.711) 5.042 4.825 ( -3.528 3.301 7.482) 8.907 4.908 ( -2.749 2.423 2.365) 4.362 5.091 ( 2.485 -1.472 3.414) 4.471 5.121 ( 2.086 3.092 -1.431) 3.995 5.150 ( -0.185 -4.504 -5.171) 6.860 5.278 ( -3.690 8.612 1.734) 9.528 5.351 ( 0.656 -2.007 -0.444) 2.157 5.429 ( -0.259 2.626 1.264) 2.926 5.488 ( -0.536 -0.270 0.841) 1.033 5.546 ( -3.136 -1.426 4.044) 5.312 5.636 ( 3.282 0.581 2.741) 4.315 5.695 ( 5.179 -6.171 1.273) 8.156 5.710 ( -0.408 -0.275 1.998) 2.058 5.778 ( 1.742 -0.163 0.278) 1.772 5.851 ( -1.386 -5.702 1.758) 6.126 5.935 ( 4.058 -2.287 -0.988) 4.762 5.979 ( 0.128 -4.803 -2.327) 5.338 6.045 ( -2.104 -2.148 -0.846) 3.123 6.110 ( -0.996 -4.011 -1.381) 4.357 6.145 ( -1.441 -7.920 -3.492) 8.775 6.457 ( 8.859 -2.682 -1.351) 9.354 6.499 ( 4.388 -4.589 -2.837) 6.954 6.608 ( -1.323 -1.111 1.229) 2.121 6.747 ( -3.540 -5.273 -2.798) 6.940 7.385 ( 1.165 14.579 8.471) 16.901 7.448 ( -1.161 15.779 9.995) 18.714 8.007 ( 0.674 13.694 5.401) 14.736 8.060 ( -1.247 13.983 6.137) 15.321 8.193 ( 3.220 -2.925 -3.698) 5.709 8.332 ( 0.437 5.451 -7.800) 9.526 8.369 ( -2.777 -0.723 -5.088) 5.841 8.382 ( -1.291 3.707 -8.858) 9.689 8.849 ( 0.356 2.599 9.393) 9.752 8.862 ( -0.257 3.128 9.832) 10.320 9.007 ( 0.680 4.785 2.449) 5.418 9.036 ( -0.448 7.595 3.534) 8.389 9.107 ( 0.334 5.590 3.598) 6.656 9.122 ( -0.298 7.960 3.638) 8.757 9.604 ( 2.329 2.584 -10.382) 10.949 9.647 ( 0.107 0.653 -8.926) 8.950 9.790 ( 0.534 6.306 -4.422) 7.720 9.838 ( -0.502 4.451 -2.770) 5.266 9.846 ( 0.844 1.900 -2.548) 3.288 9.867 ( -0.031 6.432 -3.165) 7.168 10.045 ( 0.898 6.978 6.708) 9.721 10.084 ( -0.408 5.083 6.396) 8.180 10.566 ( 0.177 1.570 2.221) 2.726 10.575 ( -0.087 2.702 2.583) 3.739 10.700 ( -0.084 -3.391 2.903) 4.465 10.709 ( -0.409 -4.573 3.073) 5.525 11.037 ( 0.058 2.384 -6.510) 6.933 11.050 ( -0.529 2.536 -7.025) 7.487 11.130 ( 2.172 0.196 -17.649) 17.783 11.226 ( -1.069 4.271 -14.930) 15.566 11.363 ( 3.466 8.440 -8.788) 12.668 11.508 ( -0.893 3.874 -11.424) 12.096 11.555 ( 0.780 3.172 -3.302) 4.645 11.598 ( -1.046 1.652 -0.811) 2.117 11.674 ( 0.158 -1.710 4.073) 4.420 11.699 ( 1.007 -0.112 4.285) 4.403 11.705 ( -0.361 2.241 9.898) 10.155 11.942 ( -4.902 -5.980 -1.924) 7.968 12.017 ( 0.764 -7.902 1.710) 8.121 12.114 ( -3.228 -4.502 -2.958) 6.280 12.153 ( 0.152 2.436 -3.172) 4.002 12.179 ( -0.868 -4.513 -4.186) 6.217 12.324 ( 0.279 -10.925 2.229) 11.153 12.360 ( -0.885 -12.523 4.050) 13.191 12.421 ( -0.920 -4.540 5.398) 7.113 12.442 ( -2.604 -6.824 8.746) 11.395 12.511 ( 0.947 -3.057 8.211) 8.812 12.583 ( -3.237 -6.220 12.339) 14.193 13.091 ( 0.219 -18.092 4.457) 18.634 13.120 ( -0.783 -17.160 5.540) 18.049 13.170 ( 1.224 -6.874 -4.114) 8.104 13.234 ( -0.998 -7.780 -7.899) 11.132 13.508 ( 2.101 3.648 8.401) 9.397 13.649 ( -3.304 1.681 7.644) 8.495 13.933 ( 1.214 -5.340 1.082) 5.582 13.948 ( 0.450 -3.732 2.000) 4.258 14.048 ( 0.120 -3.101 5.619) 6.419 14.079 ( -1.119 -3.133 5.525) 6.450 14.397 ( 2.646 0.270 -1.296) 2.958 14.449 ( -0.350 7.487 1.773) 7.702 14.532 ( 3.337 -4.566 -2.417) 6.150 14.663 ( -1.708 -10.233 -5.632) 11.805 14.824 ( 0.601 0.200 -4.473) 4.518 14.835 ( -0.028 1.378 -3.946) 4.180 16.055 ( 0.514 9.445 2.060) 9.681 16.081 ( -0.321 12.772 2.204) 12.965 16.143 ( 1.178 5.233 0.495) 5.386 16.170 ( 2.203 6.738 1.088) 7.172 16.216 ( -1.510 6.087 1.767) 6.516 16.303 ( -1.136 2.715 -1.633) 3.365 16.395 ( -1.279 10.088 -4.459) 11.103 16.446 ( -1.957 11.106 -3.494) 11.806 16.572 ( -0.710 -1.548 1.203) 2.086 16.607 ( -0.672 -3.814 -0.336) 3.887 16.675 ( 0.272 -2.456 0.639) 2.552 16.757 ( -2.625 -2.979 0.748) 4.041 17.016 ( 0.814 1.373 1.913) 2.492 17.082 ( -1.682 -2.641 1.229) 3.364 17.151 ( 2.110 -1.044 -0.848) 2.502 17.227 ( -1.558 -1.320 1.320) 2.432 17.703 ( -0.087 -0.955 0.778) 1.235 17.800 ( -2.319 3.077 3.008) 4.888 17.909 ( 4.199 5.229 -3.330) 7.488 18.022 ( 0.539 11.845 -1.087) 11.907 18.104 ( 5.590 8.118 3.175) 10.355 18.274 ( 2.686 1.005 -2.304) 3.679 18.341 ( -3.043 13.394 -4.929) 14.593 18.473 ( -4.936 -2.580 6.910) 8.875 18.909 ( 5.636 0.019 -2.148) 6.032 19.105 ( -2.186 -4.098 5.110) 6.906 19.509 ( 2.230 -2.602 -4.119) 5.358 19.641 ( -2.934 -14.296 -6.954) 16.167 19.730 ( 1.844 -1.676 1.902) 3.135 19.924 ( -7.019 -0.167 4.450) 8.312 20.124 ( 1.911 -6.855 -2.950) 7.703 20.232 ( -2.632 -8.773 -4.481) 10.196 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -8.093 21.315 2.268) 22.912 1.700 ( 8.093 21.315 2.268) 22.912 1.959 ( -6.273 23.001 4.038) 24.181 1.959 ( 6.273 23.001 4.038) 24.181 2.194 ( -21.398 3.046 3.079) 21.832 2.194 ( 21.398 3.046 3.079) 21.832 2.416 ( -1.935 6.824 -0.779) 7.136 2.416 ( 1.935 6.824 -0.779) 7.136 2.801 ( -4.036 31.385 10.504) 33.341 2.801 ( 4.036 31.385 10.504) 33.341 2.973 ( -3.188 2.894 0.983) 4.416 2.973 ( 3.188 2.894 0.983) 4.416 3.027 ( -7.858 3.853 1.379) 8.860 3.027 ( 7.858 3.853 1.379) 8.860 3.152 ( -3.568 9.323 -4.549) 10.970 3.152 ( 3.568 9.323 -4.549) 10.970 3.332 ( -7.479 7.846 -0.769) 10.867 3.332 ( 7.479 7.846 -0.769) 10.867 3.387 ( -2.490 5.486 -1.896) 6.316 3.387 ( 2.490 5.486 -1.896) 6.316 3.622 ( -3.807 7.320 2.076) 8.508 3.622 ( 3.807 7.320 2.076) 8.508 3.781 ( -2.791 10.555 -4.924) 11.976 3.781 ( 2.791 10.555 -4.924) 11.976 3.993 ( -1.498 -5.763 -0.898) 6.022 3.993 ( 1.498 -5.763 -0.898) 6.022 4.099 ( -1.496 1.326 -9.946) 10.144 4.099 ( 1.496 1.326 -9.946) 10.144 4.328 ( -1.158 0.690 -2.797) 3.105 4.328 ( 1.158 0.690 -2.797) 3.105 4.474 ( -2.429 -0.876 2.124) 3.343 4.474 ( 2.429 -0.876 2.124) 3.343 4.606 ( -2.306 0.134 -3.825) 4.469 4.606 ( 2.306 0.134 -3.825) 4.469 4.742 ( -3.124 1.878 3.263) 4.892 4.742 ( 3.124 1.878 3.263) 4.892 4.846 ( -2.904 1.805 3.040) 4.576 4.846 ( 2.904 1.805 3.040) 4.576 5.133 ( -0.811 -4.552 -4.143) 6.208 5.133 ( 0.811 -4.552 -4.143) 6.208 5.193 ( -3.249 6.316 4.565) 8.443 5.193 ( 3.249 6.316 4.565) 8.443 5.399 ( -2.854 1.917 0.077) 3.439 5.399 ( 2.854 1.917 0.077) 3.439 5.485 ( -1.434 2.413 3.419) 4.424 5.485 ( 1.434 2.413 3.419) 4.424 5.682 ( -1.847 -1.131 1.400) 2.579 5.682 ( 1.847 -1.131 1.400) 2.579 5.783 ( -2.114 -4.942 -1.401) 5.554 5.783 ( 2.114 -4.942 -1.401) 5.554 5.887 ( -4.724 -4.388 0.761) 6.492 5.887 ( 4.724 -4.388 0.761) 6.492 6.028 ( -2.049 -3.752 -0.781) 4.346 6.028 ( 2.049 -3.752 -0.781) 4.346 6.119 ( -0.687 -6.668 -2.414) 7.124 6.119 ( 0.687 -6.668 -2.414) 7.124 6.564 ( -2.508 -2.749 -1.020) 3.859 6.564 ( 2.508 -2.749 -1.020) 3.859 6.639 ( -6.337 -4.735 -2.357) 8.254 6.639 ( 6.337 -4.735 -2.357) 8.254 7.416 ( -1.649 15.113 9.171) 17.755 7.416 ( 1.649 15.113 9.171) 17.755 8.030 ( -1.392 13.688 5.766) 14.917 8.030 ( 1.392 13.688 5.766) 14.917 8.280 ( -4.465 -2.396 -4.160) 6.556 8.280 ( 4.465 -2.396 -4.160) 6.556 8.355 ( -1.168 5.103 -8.435) 9.928 8.355 ( 1.168 5.103 -8.435) 9.928 8.856 ( -0.320 2.683 8.837) 9.241 8.856 ( 0.320 2.683 8.837) 9.241 9.023 ( -0.770 6.017 3.047) 6.788 9.023 ( 0.770 6.017 3.047) 6.788 9.115 ( -0.371 6.998 3.670) 7.911 9.115 ( 0.371 6.998 3.670) 7.911 9.641 ( -0.901 0.964 -9.572) 9.662 9.641 ( 0.901 0.964 -9.572) 9.662 9.814 ( -1.481 6.771 -3.742) 7.877 9.814 ( 1.481 6.771 -3.742) 7.877 9.862 ( -0.475 3.025 -2.095) 3.710 9.862 ( 0.475 3.025 -2.095) 3.710 10.068 ( -1.075 5.768 6.356) 8.650 10.068 ( 1.075 5.768 6.356) 8.650 10.571 ( -0.233 2.017 2.380) 3.129 10.571 ( 0.233 2.017 2.380) 3.129 10.701 ( -0.225 -3.822 2.874) 4.788 10.701 ( 0.225 -3.822 2.874) 4.788 11.041 ( -0.306 2.308 -6.669) 7.064 11.041 ( 0.306 2.308 -6.669) 7.064 11.183 ( -2.589 0.885 -17.338) 17.553 11.183 ( 2.589 0.885 -17.338) 17.553 11.463 ( -4.122 8.495 -11.200) 14.649 11.463 ( 4.122 8.495 -11.200) 14.649 11.573 ( -1.042 2.327 -1.894) 3.176 11.573 ( 1.042 2.327 -1.894) 3.176 11.685 ( -0.790 1.647 8.238) 8.439 11.685 ( 0.790 1.647 8.238) 8.439 11.780 ( -6.995 -3.921 1.985) 8.261 11.780 ( 6.995 -3.921 1.985) 8.261 12.050 ( -2.208 -7.316 0.162) 7.644 12.050 ( 2.208 -7.316 0.162) 7.644 12.162 ( -0.645 1.700 -2.971) 3.483 12.162 ( 0.645 1.700 -2.971) 3.483 12.338 ( -1.012 -13.269 4.424) 14.024 12.338 ( 1.012 -13.269 4.424) 14.024 12.409 ( -0.181 -5.527 6.765) 8.737 12.409 ( 0.181 -5.527 6.765) 8.737 12.541 ( -1.510 -3.476 8.894) 9.668 12.541 ( 1.510 -3.476 8.894) 9.668 13.102 ( -0.797 -17.439 4.576) 18.047 13.102 ( 0.797 -17.439 4.576) 18.047 13.203 ( -1.697 -6.951 -6.391) 9.594 13.203 ( 1.697 -6.951 -6.391) 9.594 13.571 ( -3.617 2.237 8.563) 9.561 13.571 ( 3.617 2.237 8.563) 9.561 13.951 ( -0.371 -3.874 1.783) 4.281 13.951 ( 0.371 -3.874 1.783) 4.281 14.059 ( -0.809 -3.701 5.242) 6.468 14.059 ( 0.809 -3.701 5.242) 6.468 14.435 ( -1.082 5.581 1.193) 5.809 14.435 ( 1.082 5.581 1.193) 5.809 14.610 ( -3.285 -8.736 -5.032) 10.603 14.610 ( 3.285 -8.736 -5.032) 10.603 14.834 ( -0.223 0.504 -4.132) 4.169 14.834 ( 0.223 0.504 -4.132) 4.169 16.069 ( -0.714 10.957 1.978) 11.157 16.069 ( 0.714 10.957 1.978) 11.157 16.177 ( -1.927 5.236 0.936) 5.657 16.177 ( 1.927 5.236 0.936) 5.657 16.236 ( -3.820 5.148 0.037) 6.410 16.236 ( 3.820 5.148 0.037) 6.410 16.405 ( -1.612 11.722 -3.208) 12.260 16.405 ( 1.612 11.722 -3.208) 12.260 16.582 ( -1.290 -0.062 1.012) 1.640 16.582 ( 1.290 -0.062 1.012) 1.640 16.703 ( -2.150 -3.981 -0.487) 4.550 16.703 ( 2.150 -3.981 -0.487) 4.550 17.042 ( -1.682 -0.873 1.554) 2.451 17.042 ( 1.682 -0.873 1.554) 2.451 17.192 ( -1.725 -0.743 0.345) 1.910 17.192 ( 1.725 -0.743 0.345) 1.910 17.742 ( -2.887 -0.428 3.571) 4.612 17.742 ( 2.887 -0.428 3.571) 4.612 17.985 ( -2.809 11.241 -0.604) 11.602 17.985 ( 2.809 11.241 -0.604) 11.602 18.242 ( -6.022 10.874 -2.064) 12.600 18.242 ( 6.022 10.874 -2.064) 12.600 18.363 ( -5.083 -1.713 0.672) 5.405 18.363 ( 5.083 -1.713 0.672) 5.405 19.029 ( -4.941 -2.137 2.842) 6.087 19.029 ( 4.941 -2.137 2.842) 6.087 19.570 ( -3.366 -8.563 -5.842) 10.899 19.570 ( 3.366 -8.563 -5.842) 10.899 19.796 ( -4.540 -1.638 3.631) 6.039 19.796 ( 4.540 -1.638 3.631) 6.039 20.171 ( -2.678 -8.429 -5.113) 10.215 20.171 ( 2.678 -8.429 -5.113) 10.215 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 23.115 6.406) 23.986 1.880 ( 0.000 18.705 -8.412) 20.510 2.157 ( 0.000 -2.066 0.445) 2.114 2.304 ( 0.000 14.966 0.049) 14.966 2.459 ( 0.000 12.426 -1.580) 12.526 2.480 ( 0.000 -3.126 -3.216) 4.485 2.698 ( 0.000 20.876 10.390) 23.318 2.700 ( 0.000 1.570 6.610) 6.794 2.746 ( 0.000 2.702 9.986) 10.345 3.057 ( 0.000 3.138 0.375) 3.161 3.063 ( 0.000 6.058 -8.651) 10.561 3.073 ( 0.000 1.407 0.773) 1.606 3.161 ( 0.000 7.409 -1.609) 7.581 3.231 ( 0.000 -3.864 -1.366) 4.099 3.318 ( 0.000 -2.412 2.228) 3.283 3.431 ( 0.000 3.757 -7.554) 8.437 3.497 ( 0.000 6.814 -6.084) 9.135 3.566 ( 0.000 -9.209 -3.956) 10.023 3.635 ( 0.000 17.156 0.518) 17.164 3.663 ( 0.000 -7.401 4.310) 8.564 3.694 ( 0.000 17.432 3.823) 17.846 3.861 ( 0.000 11.033 1.374) 11.118 3.875 ( 0.000 -2.438 -12.740) 12.971 3.897 ( 0.000 16.522 11.150) 19.932 4.013 ( 0.000 -0.787 -9.023) 9.057 4.138 ( 0.000 10.241 2.165) 10.467 4.161 ( 0.000 1.130 -8.054) 8.133 4.207 ( 0.000 2.011 -5.089) 5.472 4.216 ( 0.000 -2.388 -7.819) 8.176 4.289 ( 0.000 -5.539 -8.522) 10.164 4.433 ( 0.000 4.332 -1.557) 4.604 4.483 ( 0.000 6.572 1.993) 6.868 4.582 ( 0.000 -1.100 0.273) 1.134 4.640 ( 0.000 -2.089 -5.213) 5.616 4.733 ( 0.000 2.903 4.163) 5.075 4.775 ( 0.000 4.498 5.744) 7.296 4.917 ( 0.000 -3.651 0.567) 3.695 4.937 ( 0.000 -1.217 1.558) 1.977 5.039 ( 0.000 -2.914 -5.311) 6.058 5.107 ( 0.000 -3.172 1.508) 3.512 5.144 ( 0.000 -1.795 5.211) 5.511 5.243 ( 0.000 -1.909 0.278) 1.929 5.337 ( 0.000 -4.509 1.764) 4.841 5.399 ( 0.000 3.047 5.284) 6.100 5.436 ( 0.000 -5.563 3.596) 6.624 5.499 ( 0.000 4.506 -1.535) 4.760 5.591 ( 0.000 1.592 5.605) 5.826 5.701 ( 0.000 -1.122 2.869) 3.081 5.769 ( 0.000 3.772 1.188) 3.955 5.791 ( 0.000 -8.645 0.477) 8.658 5.795 ( 0.000 -3.669 2.165) 4.260 5.832 ( 0.000 -1.127 0.304) 1.168 5.900 ( 0.000 6.891 2.861) 7.461 6.034 ( 0.000 -0.923 -3.703) 3.816 6.072 ( 0.000 -1.383 -1.021) 1.719 6.120 ( 0.000 -5.086 -0.305) 5.096 6.298 ( 0.000 2.679 0.563) 2.738 6.391 ( 0.000 -1.662 -1.865) 2.498 6.617 ( 0.000 0.240 3.144) 3.153 6.690 ( 0.000 -3.463 0.526) 3.503 7.662 ( 0.000 13.081 7.218) 14.940 7.807 ( 0.000 16.206 7.461) 17.841 8.063 ( 0.000 -5.933 -0.045) 5.933 8.283 ( 0.000 12.175 1.685) 12.291 8.311 ( 0.000 -6.990 -0.448) 7.004 8.356 ( 0.000 11.596 3.090) 12.001 8.458 ( 0.000 5.161 -6.530) 8.323 8.487 ( 0.000 3.653 -4.797) 6.030 8.892 ( 0.000 1.874 6.118) 6.399 8.927 ( 0.000 2.226 6.040) 6.437 8.994 ( 0.000 -2.409 0.043) 2.410 9.042 ( 0.000 -2.535 1.403) 2.897 9.362 ( 0.000 12.580 0.720) 12.600 9.381 ( 0.000 12.304 1.800) 12.435 9.616 ( 0.000 -0.210 -8.860) 8.863 9.643 ( 0.000 -1.157 -4.464) 4.612 9.921 ( 0.000 7.285 0.931) 7.344 9.934 ( 0.000 6.004 1.338) 6.151 9.961 ( 0.000 9.048 0.365) 9.055 10.067 ( 0.000 7.862 -0.803) 7.903 10.168 ( 0.000 6.165 8.436) 10.449 10.192 ( 0.000 5.398 8.627) 10.177 10.433 ( 0.000 -8.618 6.026) 10.516 10.472 ( 0.000 -7.323 6.762) 9.968 10.722 ( 0.000 2.387 5.115) 5.645 10.726 ( 0.000 2.581 5.844) 6.389 11.027 ( 0.000 -6.591 -17.111) 18.336 11.140 ( 0.000 7.776 -14.395) 16.361 11.159 ( 0.000 -10.093 -16.471) 19.317 11.175 ( 0.000 7.816 -14.379) 16.366 11.470 ( 0.000 -4.330 -7.845) 8.961 11.550 ( 0.000 -7.019 -8.119) 10.732 11.573 ( 0.000 4.455 -9.603) 10.586 11.599 ( 0.000 0.049 -12.572) 12.572 11.614 ( 0.000 -1.240 -10.781) 10.852 11.730 ( 0.000 -12.423 -1.428) 12.505 11.739 ( 0.000 1.020 4.244) 4.365 11.786 ( 0.000 -9.850 -0.509) 9.863 11.794 ( 0.000 3.577 6.794) 7.678 11.990 ( 0.000 -1.304 0.290) 1.336 12.117 ( 0.000 -6.159 6.886) 9.239 12.143 ( 0.000 -1.714 2.566) 3.085 12.182 ( 0.000 -9.368 0.577) 9.386 12.185 ( 0.000 -0.291 1.445) 1.474 12.402 ( 0.000 0.254 8.274) 8.278 12.423 ( 0.000 2.091 4.709) 5.152 12.508 ( 0.000 3.020 6.219) 6.913 12.522 ( 0.000 -3.187 5.625) 6.465 12.756 ( 0.000 -10.148 5.557) 11.570 12.800 ( 0.000 -10.934 4.610) 11.867 13.004 ( 0.000 -8.869 -3.190) 9.425 13.044 ( 0.000 -10.897 -3.910) 11.577 13.623 ( 0.000 7.984 0.681) 8.014 13.766 ( 0.000 7.293 6.411) 9.710 13.841 ( 0.000 -0.917 2.936) 3.076 13.925 ( 0.000 1.529 7.629) 7.781 14.006 ( 0.000 -1.055 5.603) 5.701 14.049 ( 0.000 -2.521 5.945) 6.458 14.141 ( 0.000 -12.123 -3.681) 12.670 14.394 ( 0.000 -14.442 -4.841) 15.232 14.586 ( 0.000 5.743 0.446) 5.761 14.634 ( 0.000 7.477 -0.006) 7.477 14.778 ( 0.000 -2.905 -3.297) 4.395 14.846 ( 0.000 -1.642 -3.668) 4.019 16.154 ( 0.000 2.166 -0.501) 2.224 16.203 ( 0.000 1.651 -0.518) 1.731 16.256 ( 0.000 3.008 -1.357) 3.300 16.264 ( 0.000 -4.446 -1.413) 4.665 16.283 ( 0.000 3.826 2.619) 4.637 16.382 ( 0.000 6.009 3.708) 7.061 16.488 ( 0.000 -3.072 -2.173) 3.763 16.538 ( 0.000 -3.306 -0.168) 3.310 16.568 ( 0.000 5.898 1.453) 6.074 16.625 ( 0.000 8.906 -0.433) 8.917 16.733 ( 0.000 6.211 2.842) 6.831 16.865 ( 0.000 2.767 -0.707) 2.856 17.011 ( 0.000 -1.834 -0.116) 1.838 17.094 ( 0.000 -0.557 -0.614) 0.829 17.125 ( 0.000 3.601 4.179) 5.516 17.206 ( 0.000 -1.886 3.415) 3.902 17.757 ( 0.000 0.685 -1.148) 1.337 17.767 ( 0.000 3.165 -0.826) 3.272 17.977 ( 0.000 0.414 3.764) 3.787 18.048 ( 0.000 2.853 -0.815) 2.968 18.229 ( 0.000 5.589 -5.057) 7.537 18.374 ( 0.000 5.972 -1.279) 6.107 18.490 ( 0.000 -2.653 -11.088) 11.401 18.599 ( 0.000 11.150 9.306) 14.523 18.930 ( 0.000 -4.641 -1.301) 4.820 19.025 ( 0.000 2.885 -1.242) 3.142 19.176 ( 0.000 -19.611 -1.872) 19.700 19.437 ( 0.000 -5.042 -3.597) 6.194 19.825 ( 0.000 5.741 1.239) 5.873 20.007 ( 0.000 -1.898 -1.834) 2.640 20.032 ( 0.000 -0.830 4.038) 4.122 20.116 ( 0.000 -5.599 -0.224) 5.603 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 20.970 12.544 5.126) 24.968 1.959 ( 5.545 16.065 -4.289) 17.528 2.119 ( -1.067 3.256 2.963) 4.530 2.273 ( -0.396 11.686 -1.023) 11.737 2.439 ( -4.516 11.947 -1.025) 12.813 2.543 ( -0.472 7.948 2.286) 8.283 2.637 ( 0.491 11.256 -1.643) 11.386 2.715 ( 0.751 6.771 8.633) 10.997 2.808 ( 2.439 5.190 1.799) 6.011 2.941 ( -1.277 6.782 0.835) 6.952 3.062 ( -3.418 2.053 2.157) 4.533 3.108 ( 2.134 0.761 -4.453) 4.996 3.181 ( -4.743 -5.028 -1.610) 7.097 3.222 ( 2.176 -2.217 -0.807) 3.209 3.308 ( 0.480 -0.687 -0.007) 0.838 3.413 ( -4.703 0.539 -5.378) 7.164 3.478 ( -3.610 8.794 -3.640) 10.180 3.505 ( 0.208 4.525 -3.210) 5.551 3.582 ( -3.001 6.090 -2.354) 7.186 3.637 ( -4.042 16.109 1.548) 16.680 3.711 ( 0.433 0.079 3.204) 3.234 3.778 ( -3.346 6.920 1.106) 7.766 3.852 ( -1.478 -5.550 -9.107) 10.767 3.898 ( 0.508 3.016 -6.100) 6.823 4.029 ( 1.404 14.177 5.639) 15.321 4.102 ( -2.327 11.932 3.817) 12.742 4.162 ( -1.015 3.067 -6.957) 7.671 4.194 ( -1.473 2.951 -7.571) 8.258 4.261 ( 2.547 -1.811 -5.289) 6.143 4.292 ( 1.638 -4.493 -6.356) 7.954 4.461 ( 2.632 6.181 2.028) 7.018 4.547 ( 4.137 5.037 1.535) 6.697 4.600 ( 0.894 -1.446 -0.014) 1.700 4.668 ( 0.284 2.071 -0.058) 2.091 4.699 ( 0.168 2.153 0.919) 2.347 4.815 ( 2.255 2.190 3.099) 4.414 4.872 ( -4.371 -0.240 1.378) 4.590 4.926 ( -1.653 0.037 0.390) 1.699 5.017 ( -0.844 -3.921 -3.156) 5.104 5.031 ( -2.378 -5.487 -3.681) 7.023 5.204 ( 3.567 1.356 6.920) 7.902 5.265 ( 1.884 -4.337 1.903) 5.096 5.321 ( -0.749 -3.601 4.266) 5.633 5.423 ( -1.207 -6.002 4.550) 7.628 5.465 ( 3.133 1.933 0.457) 3.710 5.538 ( 1.740 3.438 0.175) 3.857 5.620 ( 2.256 0.652 2.917) 3.745 5.671 ( -1.833 -1.809 0.397) 2.605 5.732 ( -2.007 -4.295 2.009) 5.149 5.751 ( -1.479 1.286 -0.789) 2.113 5.791 ( 0.401 -1.741 1.538) 2.357 5.899 ( 2.223 -2.205 -0.645) 3.197 5.934 ( 2.468 2.828 2.655) 4.597 6.007 ( -3.965 -0.428 0.932) 4.095 6.034 ( -1.784 -2.563 -1.901) 3.656 6.055 ( -1.369 -1.744 -0.702) 2.326 6.418 ( 7.441 -0.677 0.085) 7.472 6.445 ( 4.162 -1.208 -1.069) 4.464 6.595 ( -2.012 0.064 2.396) 3.129 6.658 ( -2.988 -3.151 0.457) 4.366 7.683 ( 1.841 13.538 7.278) 15.480 7.785 ( -1.937 15.727 7.440) 17.506 8.098 ( 3.171 -6.048 -0.090) 6.830 8.265 ( -2.553 -1.311 0.017) 2.870 8.295 ( -0.264 6.442 1.507) 6.622 8.340 ( -1.381 11.464 2.872) 11.899 8.457 ( 0.029 4.834 -6.164) 7.833 8.478 ( -0.728 3.747 -4.940) 6.243 8.898 ( 0.488 2.028 5.641) 6.014 8.922 ( -0.467 2.271 5.650) 6.108 9.004 ( 0.859 -2.338 0.346) 2.514 9.038 ( -0.439 -2.463 1.245) 2.795 9.366 ( 0.339 12.610 0.981) 12.653 9.380 ( -0.161 12.426 1.734) 12.548 9.627 ( 0.846 -0.726 -7.785) 7.864 9.644 ( 0.050 -1.236 -4.730) 4.889 9.926 ( 0.381 7.148 1.082) 7.240 9.934 ( 0.028 6.077 1.321) 6.219 9.981 ( 1.646 8.698 0.164) 8.854 10.056 ( -1.066 7.912 -0.608) 8.007 10.172 ( 0.372 6.049 8.357) 10.323 10.190 ( -0.204 5.453 8.494) 10.096 10.437 ( 0.398 -8.346 6.069) 10.327 10.465 ( -0.613 -7.410 6.568) 9.921 10.723 ( 0.109 2.480 5.210) 5.771 10.726 ( 0.002 2.699 5.740) 6.343 11.042 ( 1.413 -6.169 -17.179) 18.308 11.122 ( -1.509 -0.257 -15.861) 15.935 11.163 ( 0.207 -1.166 -15.258) 15.304 11.172 ( -0.216 6.805 -14.364) 15.896 11.480 ( 0.788 -5.539 -7.903) 9.683 11.531 ( -1.493 -6.091 -8.722) 10.743 11.574 ( 0.688 1.220 -11.023) 11.111 11.614 ( -0.235 -1.664 -11.035) 11.163 11.624 ( 1.956 0.816 -9.904) 10.129 11.721 ( -0.892 -10.796 -2.608) 11.142 11.745 ( 0.379 -0.741 3.624) 3.718 11.768 ( -1.193 -0.748 4.574) 4.786 11.807 ( 1.133 -4.447 1.816) 4.935 11.948 ( -3.911 -1.436 -0.938) 4.270 12.112 ( -0.229 -5.618 6.488) 8.585 12.140 ( -1.136 -4.617 3.355) 5.819 12.164 ( 0.095 -3.361 1.959) 3.892 12.188 ( -0.228 -2.626 1.398) 2.984 12.383 ( -0.595 1.251 7.475) 7.602 12.424 ( -1.475 2.181 6.011) 6.563 12.498 ( 0.608 0.759 6.345) 6.419 12.528 ( 0.121 0.368 6.791) 6.802 12.761 ( 0.461 -10.280 5.296) 11.573 12.792 ( -0.686 -10.851 4.643) 11.823 13.015 ( 0.940 -9.060 -3.746) 9.849 13.044 ( -0.108 -10.606 -4.115) 11.377 13.633 ( 1.095 8.007 2.361) 8.419 13.732 ( -2.621 7.540 6.151) 10.077 13.870 ( 2.080 -0.949 3.636) 4.295 13.929 ( 0.033 1.236 6.572) 6.687 14.003 ( -0.071 -1.106 6.007) 6.108 14.023 ( -1.400 -2.688 4.791) 5.669 14.217 ( 5.213 -12.177 -3.691) 13.751 14.378 ( -1.629 -14.023 -4.821) 14.918 14.595 ( 0.793 5.886 0.444) 5.956 14.629 ( -0.499 7.146 0.120) 7.164 14.790 ( 1.036 -2.768 -3.193) 4.350 14.838 ( -0.762 -1.838 -3.507) 4.033 16.163 ( 0.909 1.995 -0.879) 2.362 16.206 ( 0.197 0.992 -0.896) 1.351 16.237 ( -1.260 1.699 -1.333) 2.500 16.257 ( -0.877 -2.400 -1.454) 2.940 16.300 ( 1.438 4.228 3.104) 5.439 16.370 ( -1.118 5.104 3.586) 6.337 16.484 ( -0.172 -1.915 -1.080) 2.205 16.517 ( -1.596 -2.438 0.079) 2.915 16.599 ( 2.450 5.251 1.003) 5.881 16.669 ( 3.934 9.594 -0.476) 10.380 16.711 ( -1.967 6.195 2.259) 6.881 16.845 ( -2.089 5.252 -0.748) 5.701 17.027 ( 0.946 -0.462 0.333) 1.104 17.074 ( -0.950 1.243 1.290) 2.028 17.131 ( 0.333 -1.851 3.084) 3.612 17.201 ( -0.815 -1.208 2.241) 2.673 17.720 ( -0.052 4.232 -0.120) 4.234 17.849 ( -1.405 3.196 4.098) 5.383 17.928 ( 5.084 -2.582 -2.720) 6.318 18.148 ( 3.143 -0.385 -2.612) 4.105 18.252 ( 3.024 4.552 -2.031) 5.830 18.361 ( -0.679 5.592 -2.758) 6.272 18.435 ( -4.969 1.231 -5.091) 7.220 18.534 ( -4.673 3.326 0.792) 5.790 18.980 ( 3.280 1.307 2.196) 4.158 19.032 ( 0.429 2.518 0.093) 2.556 19.214 ( 3.765 -17.529 -3.065) 18.189 19.417 ( -2.317 -6.499 -3.739) 7.848 19.823 ( 0.112 5.449 1.799) 5.739 19.945 ( -5.019 1.889 3.538) 6.424 20.025 ( -0.029 -3.573 -1.167) 3.759 20.089 ( -2.207 -5.404 -0.761) 5.887 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -2.901 9.660 3.970) 10.839 2.023 ( 2.901 9.660 3.970) 10.839 2.184 ( -12.793 -0.065 3.848) 13.359 2.184 ( 12.793 -0.065 3.848) 13.359 2.451 ( -11.136 19.793 -4.202) 23.096 2.451 ( 11.136 19.793 -4.202) 23.096 2.647 ( -4.143 15.269 -0.955) 15.850 2.647 ( 4.143 15.269 -0.955) 15.850 2.924 ( -7.311 -3.665 -0.093) 8.179 2.924 ( 7.311 -3.665 -0.093) 8.179 3.040 ( -6.818 2.603 2.233) 7.632 3.040 ( 6.818 2.603 2.233) 7.632 3.211 ( -6.660 0.108 -2.022) 6.961 3.211 ( 6.660 0.108 -2.022) 6.961 3.304 ( -3.818 -4.770 -0.451) 6.127 3.304 ( 3.818 -4.770 -0.451) 6.127 3.477 ( -3.057 13.737 -3.395) 14.477 3.477 ( 3.057 13.737 -3.395) 14.477 3.565 ( -1.857 4.138 -4.878) 6.661 3.565 ( 1.857 4.138 -4.878) 6.661 3.728 ( -2.013 4.693 3.995) 6.484 3.728 ( 2.013 4.693 3.995) 6.484 3.873 ( -2.481 -1.723 -8.009) 8.560 3.873 ( 2.481 -1.723 -8.009) 8.560 4.063 ( -1.549 14.652 7.869) 16.703 4.063 ( 1.549 14.652 7.869) 16.703 4.158 ( -1.191 3.965 -8.128) 9.121 4.158 ( 1.191 3.965 -8.128) 9.121 4.306 ( -0.996 -3.148 -5.273) 6.222 4.306 ( 0.996 -3.148 -5.273) 6.222 4.538 ( -3.687 6.271 4.459) 8.532 4.538 ( 3.687 6.271 4.459) 8.532 4.642 ( -2.274 2.372 1.596) 3.653 4.642 ( 2.274 2.372 1.596) 3.653 4.762 ( -4.703 0.312 -1.632) 4.988 4.762 ( 4.703 0.312 -1.632) 4.988 4.868 ( -2.644 1.278 1.144) 3.152 4.868 ( 2.644 1.278 1.144) 3.152 5.019 ( -0.508 -5.547 -4.118) 6.927 5.019 ( 0.508 -5.547 -4.118) 6.927 5.257 ( -1.877 -0.468 5.076) 5.432 5.257 ( 1.877 -0.468 5.076) 5.432 5.376 ( -3.320 -5.548 5.860) 8.726 5.376 ( 3.320 -5.548 5.860) 8.726 5.516 ( -2.777 2.710 0.282) 3.890 5.516 ( 2.777 2.710 0.282) 3.890 5.649 ( -1.008 -3.800 -0.904) 4.034 5.649 ( 1.008 -3.800 -0.904) 4.034 5.722 ( -0.542 1.036 -1.871) 2.207 5.722 ( 0.542 1.036 -1.871) 2.207 5.850 ( -4.460 -1.078 2.870) 5.412 5.850 ( 4.460 -1.078 2.870) 5.412 5.981 ( -0.832 -0.951 1.148) 1.707 5.981 ( 0.832 -0.951 1.148) 1.707 6.024 ( -0.763 -1.724 -0.874) 2.078 6.024 ( 0.763 -1.724 -0.874) 2.078 6.531 ( -3.072 -0.532 0.572) 3.169 6.531 ( 3.072 -0.532 0.572) 3.169 6.566 ( -5.141 -2.275 0.320) 5.631 6.566 ( 5.141 -2.275 0.320) 5.631 7.733 ( -2.657 14.621 7.379) 16.591 7.733 ( 2.657 14.621 7.379) 16.591 8.184 ( -4.425 -6.132 -0.242) 7.566 8.184 ( 4.425 -6.132 -0.242) 7.566 8.308 ( -1.279 11.261 2.407) 11.586 8.308 ( 1.279 11.261 2.407) 11.586 8.463 ( -0.520 4.177 -5.449) 6.885 8.463 ( 0.520 4.177 -5.449) 6.885 8.910 ( -0.603 2.239 5.261) 5.749 8.910 ( 0.603 2.239 5.261) 5.749 9.024 ( -0.848 -2.333 0.835) 2.619 9.024 ( 0.848 -2.333 0.835) 2.619 9.374 ( -0.352 12.593 1.455) 12.682 9.374 ( 0.352 12.593 1.455) 12.682 9.641 ( -0.394 -1.244 -5.853) 5.997 9.641 ( 0.394 -1.244 -5.853) 5.997 9.933 ( -0.200 6.501 1.313) 6.635 9.933 ( 0.200 6.501 1.313) 6.635 10.022 ( -1.990 8.209 -0.289) 8.452 10.022 ( 1.990 8.209 -0.289) 8.452 10.182 ( -0.477 5.708 8.333) 10.112 10.182 ( 0.477 5.708 8.333) 10.112 10.450 ( -0.727 -7.777 6.241) 9.998 10.450 ( 0.727 -7.777 6.241) 9.998 10.725 ( -0.086 2.701 5.472) 6.103 10.725 ( 0.086 2.701 5.472) 6.103 11.082 ( -2.074 -4.589 -16.990) 17.721 11.082 ( 2.074 -4.589 -16.990) 17.721 11.167 ( -0.220 4.366 -14.494) 15.139 11.167 ( 0.220 4.366 -14.494) 15.139 11.501 ( -1.205 -5.839 -8.428) 10.324 11.501 ( 1.205 -5.839 -8.428) 10.324 11.599 ( -1.176 -2.029 -11.672) 11.906 11.599 ( 1.176 -2.029 -11.672) 11.906 11.679 ( -2.871 -4.691 -6.465) 8.487 11.679 ( 2.871 -4.691 -6.465) 8.487 11.752 ( -0.331 -0.404 4.324) 4.356 11.752 ( 0.331 -0.404 4.324) 4.356 11.855 ( -3.671 -2.783 0.123) 4.609 11.855 ( 3.671 -2.783 0.123) 4.609 12.116 ( -0.672 -4.935 5.555) 7.461 12.116 ( 0.672 -4.935 5.555) 7.461 12.178 ( -0.726 -2.366 1.904) 3.122 12.178 ( 0.726 -2.366 1.904) 3.122 12.389 ( -1.133 2.329 7.262) 7.710 12.389 ( 1.133 2.329 7.262) 7.710 12.521 ( -0.876 0.712 6.651) 6.746 12.521 ( 0.876 0.712 6.651) 6.746 12.775 ( -0.810 -10.544 4.848) 11.634 12.775 ( 0.810 -10.544 4.848) 11.634 13.036 ( -0.754 -9.804 -4.279) 10.723 13.036 ( 0.754 -9.804 -4.279) 10.723 13.673 ( -2.559 7.903 5.013) 9.702 13.673 ( 2.559 7.903 5.013) 9.702 13.912 ( -1.630 -0.187 4.879) 5.147 13.912 ( 1.630 -0.187 4.879) 5.147 14.005 ( -0.335 -1.530 5.338) 5.563 14.005 ( 0.335 -1.530 5.338) 5.563 14.319 ( -3.935 -13.158 -4.518) 14.458 14.319 ( 3.935 -13.158 -4.518) 14.458 14.614 ( -0.855 6.410 0.332) 6.475 14.614 ( 0.855 6.410 0.332) 6.475 14.816 ( -1.233 -2.330 -3.226) 4.166 14.816 ( 1.233 -2.330 -3.226) 4.166 16.191 ( -1.496 1.434 -1.574) 2.602 16.191 ( 1.496 1.434 -1.574) 2.602 16.234 ( -0.964 -0.088 -0.927) 1.340 16.234 ( 0.964 -0.088 -0.927) 1.340 16.337 ( -1.869 4.293 3.382) 5.776 16.337 ( 1.869 4.293 3.382) 5.776 16.489 ( -0.759 -1.445 -0.019) 1.633 16.489 ( 0.759 -1.445 -0.019) 1.633 16.657 ( -2.802 5.553 1.448) 6.386 16.657 ( 2.802 5.553 1.448) 6.386 16.770 ( -4.740 8.893 -0.878) 10.115 16.770 ( 4.740 8.893 -0.878) 10.115 17.049 ( -1.292 0.827 1.552) 2.182 17.049 ( 1.292 0.827 1.552) 2.182 17.163 ( -2.330 -2.682 2.084) 4.118 17.163 ( 2.330 -2.682 2.084) 4.118 17.766 ( -3.889 4.182 1.927) 6.027 17.766 ( 3.889 4.182 1.927) 6.027 18.103 ( -7.123 -2.964 -2.664) 8.163 18.103 ( 7.123 -2.964 -2.664) 8.163 18.319 ( -2.867 2.649 -1.850) 4.319 18.319 ( 2.867 2.649 -1.850) 4.319 18.425 ( -5.125 2.988 -3.523) 6.899 18.425 ( 5.125 2.988 -3.523) 6.899 19.029 ( -1.074 2.817 2.372) 3.837 19.029 ( 1.074 2.817 2.372) 3.837 19.326 ( -5.794 -11.071 -3.615) 13.008 19.326 ( 5.794 -11.071 -3.615) 13.008 19.851 ( -2.933 4.455 3.312) 6.278 19.851 ( 2.933 4.455 3.312) 6.278 20.042 ( -1.730 -4.852 -1.615) 5.398 20.042 ( 1.730 -4.852 -1.615) 5.398 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 -18.529 -0.601) 18.538 1.869 ( 0.000 18.529 -0.601) 18.538 2.236 ( 0.000 -11.635 -5.001) 12.665 2.236 ( 0.000 11.635 -5.001) 12.665 2.632 ( 0.000 -0.937 13.400) 13.433 2.632 ( 0.000 0.937 13.400) 13.433 2.706 ( 0.000 -4.140 -3.372) 5.339 2.706 ( 0.000 4.140 -3.372) 5.339 3.043 ( 0.000 -4.484 3.613) 5.759 3.043 ( 0.000 4.484 3.613) 5.759 3.121 ( 0.000 -0.954 -1.493) 1.772 3.121 ( 0.000 0.954 -1.493) 1.772 3.263 ( 0.000 -10.140 1.263) 10.218 3.263 ( 0.000 10.140 1.263) 10.218 3.269 ( 0.000 -11.795 -1.732) 11.922 3.269 ( 0.000 11.795 -1.732) 11.922 3.475 ( 0.000 -10.831 -12.421) 16.481 3.475 ( 0.000 10.831 -12.421) 16.481 3.713 ( 0.000 -5.646 -4.952) 7.510 3.713 ( 0.000 5.646 -4.952) 7.510 3.837 ( 0.000 -1.485 1.405) 2.045 3.837 ( 0.000 1.485 1.405) 2.045 3.972 ( 0.000 -2.659 -3.725) 4.577 3.972 ( 0.000 2.659 -3.725) 4.577 4.157 ( 0.000 -1.513 -8.059) 8.199 4.157 ( 0.000 1.513 -8.059) 8.199 4.250 ( 0.000 -0.825 -2.478) 2.611 4.250 ( 0.000 0.825 -2.478) 2.611 4.327 ( 0.000 -12.357 2.338) 12.576 4.327 ( 0.000 12.357 2.338) 12.576 4.459 ( 0.000 -13.541 2.619) 13.792 4.459 ( 0.000 13.541 2.619) 13.792 4.608 ( 0.000 -2.582 -5.018) 5.643 4.608 ( 0.000 2.582 -5.018) 5.643 4.797 ( 0.000 -1.245 1.249) 1.763 4.797 ( 0.000 1.245 1.249) 1.763 4.866 ( 0.000 -0.125 5.158) 5.159 4.866 ( 0.000 0.125 5.158) 5.159 5.029 ( 0.000 -1.096 -2.944) 3.142 5.029 ( 0.000 1.096 -2.944) 3.142 5.166 ( 0.000 -1.915 7.536) 7.775 5.166 ( 0.000 1.915 7.536) 7.775 5.341 ( 0.000 -3.142 3.649) 4.815 5.341 ( 0.000 3.142 3.649) 4.815 5.536 ( 0.000 -7.053 0.452) 7.067 5.536 ( 0.000 7.053 0.452) 7.067 5.604 ( 0.000 -0.800 0.128) 0.810 5.604 ( 0.000 0.800 0.128) 0.810 5.711 ( 0.000 -2.530 2.669) 3.678 5.711 ( 0.000 2.530 2.669) 3.678 5.829 ( 0.000 -1.307 0.686) 1.476 5.829 ( 0.000 1.307 0.686) 1.476 6.004 ( 0.000 -2.907 0.960) 3.062 6.004 ( 0.000 2.907 0.960) 3.062 6.063 ( 0.000 -0.714 0.368) 0.804 6.063 ( 0.000 0.714 0.368) 0.804 6.353 ( 0.000 -2.275 -1.179) 2.562 6.353 ( 0.000 2.275 -1.179) 2.562 6.637 ( 0.000 -1.684 2.637) 3.129 6.637 ( 0.000 1.684 2.637) 3.129 7.902 ( 0.000 -9.636 3.813) 10.363 7.902 ( 0.000 9.636 3.813) 10.363 8.109 ( 0.000 -12.312 4.064) 12.965 8.109 ( 0.000 12.312 4.064) 12.965 8.468 ( 0.000 -4.696 -1.059) 4.814 8.468 ( 0.000 4.696 -1.059) 4.814 8.515 ( 0.000 -2.693 -0.174) 2.699 8.515 ( 0.000 2.693 -0.174) 2.699 8.934 ( 0.000 -2.635 1.443) 3.005 8.934 ( 0.000 2.635 1.443) 3.005 8.977 ( 0.000 -3.049 1.859) 3.570 8.977 ( 0.000 3.049 1.859) 3.570 9.556 ( 0.000 -5.838 -3.780) 6.955 9.556 ( 0.000 5.838 -3.780) 6.955 9.575 ( 0.000 -5.970 -1.145) 6.078 9.575 ( 0.000 5.970 -1.145) 6.078 10.040 ( 0.000 -2.359 2.955) 3.781 10.040 ( 0.000 2.359 2.955) 3.781 10.081 ( 0.000 -5.933 3.660) 6.971 10.081 ( 0.000 5.933 3.660) 6.971 10.300 ( 0.000 -5.403 7.537) 9.274 10.300 ( 0.000 5.403 7.537) 9.274 10.328 ( 0.000 -7.377 8.836) 11.511 10.328 ( 0.000 7.377 8.836) 11.511 10.841 ( 0.000 -9.570 -6.393) 11.509 10.841 ( 0.000 9.570 -6.393) 11.509 10.880 ( 0.000 -13.125 -5.212) 14.122 10.880 ( 0.000 13.125 -5.212) 14.122 11.328 ( 0.000 -8.863 -14.666) 17.136 11.328 ( 0.000 8.863 -14.666) 17.136 11.360 ( 0.000 -9.512 -13.405) 16.437 11.360 ( 0.000 9.512 -13.405) 16.437 11.541 ( 0.000 -0.963 -11.381) 11.422 11.541 ( 0.000 0.963 -11.381) 11.422 11.583 ( 0.000 -0.988 -9.295) 9.348 11.583 ( 0.000 0.988 -9.295) 9.348 11.763 ( 0.000 -0.162 0.559) 0.582 11.763 ( 0.000 0.162 0.559) 0.582 11.918 ( 0.000 -7.897 0.991) 7.959 11.918 ( 0.000 7.897 0.991) 7.959 12.086 ( 0.000 -3.072 6.041) 6.777 12.086 ( 0.000 3.072 6.041) 6.777 12.131 ( 0.000 -3.783 5.511) 6.685 12.131 ( 0.000 3.783 5.511) 6.685 12.420 ( 0.000 -1.691 8.480) 8.647 12.420 ( 0.000 1.691 8.480) 8.647 12.509 ( 0.000 -2.019 3.576) 4.107 12.509 ( 0.000 2.019 3.576) 4.107 12.801 ( 0.000 -10.593 0.757) 10.620 12.801 ( 0.000 10.593 0.757) 10.620 12.802 ( 0.000 -9.424 1.148) 9.493 12.802 ( 0.000 9.424 1.148) 9.493 13.796 ( 0.000 -6.617 -2.279) 6.998 13.796 ( 0.000 6.617 -2.279) 6.998 13.924 ( 0.000 -5.534 4.654) 7.231 13.924 ( 0.000 5.534 4.654) 7.231 13.987 ( 0.000 -2.722 7.967) 8.419 13.987 ( 0.000 2.722 7.967) 8.419 14.094 ( 0.000 -12.037 -0.329) 12.042 14.094 ( 0.000 12.037 -0.329) 12.042 14.698 ( 0.000 -4.732 -1.599) 4.995 14.698 ( 0.000 4.732 -1.599) 4.995 14.772 ( 0.000 -5.300 -2.283) 5.770 14.772 ( 0.000 5.300 -2.283) 5.770 16.188 ( 0.000 -2.007 -1.603) 2.569 16.188 ( 0.000 2.007 -1.603) 2.569 16.237 ( 0.000 -1.551 -2.149) 2.650 16.237 ( 0.000 1.551 -2.149) 2.650 16.389 ( 0.000 -5.251 1.639) 5.501 16.389 ( 0.000 5.251 1.639) 5.501 16.466 ( 0.000 -3.516 2.693) 4.429 16.466 ( 0.000 3.516 2.693) 4.429 16.754 ( 0.000 -4.716 -0.292) 4.725 16.754 ( 0.000 4.716 -0.292) 4.725 16.803 ( 0.000 -0.558 0.874) 1.037 16.803 ( 0.000 0.558 0.874) 1.037 17.026 ( 0.000 -4.658 2.936) 5.506 17.026 ( 0.000 4.658 2.936) 5.506 17.184 ( 0.000 -1.550 3.268) 3.617 17.184 ( 0.000 1.550 3.268) 3.617 17.801 ( 0.000 -2.106 -1.710) 2.713 17.801 ( 0.000 2.106 -1.710) 2.713 18.025 ( 0.000 -4.407 2.392) 5.014 18.025 ( 0.000 4.407 2.392) 5.014 18.367 ( 0.000 -7.291 -9.569) 12.030 18.367 ( 0.000 7.291 -9.569) 12.030 18.587 ( 0.000 -16.263 -5.185) 17.070 18.587 ( 0.000 16.263 -5.185) 17.070 18.862 ( 0.000 -12.057 7.506) 14.202 18.862 ( 0.000 12.057 7.506) 14.202 19.270 ( 0.000 -10.656 -2.949) 11.056 19.270 ( 0.000 10.656 -2.949) 11.056 19.939 ( 0.000 -4.786 -0.987) 4.887 19.939 ( 0.000 4.786 -0.987) 4.887 20.039 ( 0.000 -1.653 2.527) 3.019 20.039 ( 0.000 1.653 2.527) 3.019 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 7.009 -10.410 1.690) 12.663 1.938 ( 7.009 10.410 1.690) 12.663 2.306 ( 0.339 -7.728 -0.245) 7.740 2.306 ( 0.339 7.728 -0.245) 7.740 2.580 ( 2.864 -3.955 -0.191) 4.887 2.580 ( 2.864 3.955 -0.191) 4.887 2.798 ( 4.368 -10.881 2.550) 11.999 2.798 ( 4.368 10.881 2.550) 11.999 3.020 ( -3.026 -5.107 2.033) 6.275 3.020 ( -3.026 5.107 2.033) 6.275 3.095 ( -3.885 -4.175 -3.061) 6.472 3.095 ( -3.885 4.175 -3.061) 6.472 3.186 ( -2.614 -7.167 0.067) 7.629 3.186 ( -2.614 7.167 0.067) 7.629 3.228 ( -2.788 -8.798 -0.251) 9.233 3.228 ( -2.788 8.798 -0.251) 9.233 3.528 ( 2.488 -4.845 -10.140) 11.511 3.528 ( 2.488 4.845 -10.140) 11.511 3.697 ( -3.319 -4.162 -7.055) 8.839 3.697 ( -3.319 4.162 -7.055) 8.839 3.788 ( -1.962 -4.737 0.322) 5.137 3.788 ( -1.962 4.737 0.322) 5.137 3.894 ( -3.914 -0.795 0.826) 4.079 3.894 ( -3.914 0.795 0.826) 4.079 4.165 ( 0.905 -1.257 -7.651) 7.807 4.165 ( 0.905 1.257 -7.651) 7.807 4.246 ( -0.924 -1.117 -4.935) 5.143 4.246 ( -0.924 1.117 -4.935) 5.143 4.393 ( 4.189 -12.619 5.311) 14.317 4.393 ( 4.189 12.619 5.311) 14.317 4.483 ( 1.152 -12.801 5.254) 13.885 4.483 ( 1.152 12.801 5.254) 13.885 4.644 ( 3.577 -3.487 -4.868) 6.975 4.644 ( 3.577 3.487 -4.868) 6.975 4.798 ( -0.822 -3.990 0.771) 4.146 4.798 ( -0.822 3.990 0.771) 4.146 4.877 ( 1.251 -2.297 2.147) 3.384 4.877 ( 1.251 2.297 2.147) 3.384 4.978 ( -3.569 -0.221 -0.906) 3.689 4.978 ( -3.569 0.221 -0.906) 3.689 5.198 ( 2.700 -0.639 6.814) 7.357 5.198 ( 2.700 0.639 6.814) 7.357 5.315 ( -1.994 -3.432 3.871) 5.544 5.315 ( -1.994 3.432 3.871) 5.544 5.546 ( 0.714 -4.956 -0.574) 5.040 5.546 ( 0.714 4.956 -0.574) 5.040 5.642 ( -1.559 -2.683 0.828) 3.212 5.642 ( -1.559 2.683 0.828) 3.212 5.681 ( 2.656 -3.528 0.822) 4.492 5.681 ( 2.656 3.528 0.822) 4.492 5.841 ( -0.432 -3.188 -0.004) 3.217 5.841 ( -0.432 3.188 -0.004) 3.217 6.002 ( -0.243 -2.051 1.171) 2.374 6.002 ( -0.243 2.051 1.171) 2.374 6.022 ( -2.138 -1.401 0.898) 2.710 6.022 ( -2.138 1.401 0.898) 2.710 6.425 ( 5.299 -0.868 -0.333) 5.380 6.425 ( 5.299 0.868 -0.333) 5.380 6.611 ( -2.430 -1.453 2.175) 3.570 6.611 ( -2.430 1.453 2.175) 3.570 7.932 ( 2.661 -10.033 3.898) 11.088 7.932 ( 2.661 10.033 3.898) 11.088 8.078 ( -2.766 -11.905 4.067) 12.881 8.078 ( -2.766 11.905 4.067) 12.881 8.467 ( 0.057 -4.479 -0.908) 4.570 8.467 ( 0.057 4.479 -0.908) 4.570 8.500 ( -1.146 -3.051 -0.315) 3.275 8.500 ( -1.146 3.051 -0.315) 3.275 8.944 ( 0.795 -2.791 1.407) 3.225 8.944 ( 0.795 2.791 1.407) 3.225 8.974 ( -0.360 -3.073 1.716) 3.539 8.974 ( -0.360 3.073 1.716) 3.539 9.561 ( 0.467 -5.888 -3.100) 6.671 9.561 ( 0.467 5.888 -3.100) 6.671 9.575 ( -0.051 -5.939 -1.307) 6.081 9.575 ( -0.051 5.939 -1.307) 6.081 10.047 ( 0.614 -2.844 3.009) 4.185 10.047 ( 0.614 2.844 3.009) 4.185 10.078 ( -0.393 -5.392 3.558) 6.472 10.078 ( -0.393 5.392 3.558) 6.472 10.304 ( 0.376 -5.546 7.671) 9.474 10.304 ( 0.376 5.546 7.671) 9.474 10.325 ( -0.321 -6.935 8.600) 11.052 10.325 ( -0.321 6.935 8.600) 11.052 10.850 ( 0.795 -9.886 -6.408) 11.808 10.850 ( 0.795 9.886 -6.408) 11.808 10.880 ( -0.171 -12.499 -5.515) 13.663 10.880 ( -0.171 12.499 -5.515) 13.663 11.326 ( -0.050 -8.249 -14.141) 16.371 11.326 ( -0.050 8.249 -14.141) 16.371 11.350 ( -0.802 -8.581 -13.372) 15.909 11.350 ( -0.802 8.581 -13.372) 15.909 11.544 ( 0.299 -1.492 -11.286) 11.388 11.544 ( 0.299 1.492 -11.286) 11.388 11.574 ( -0.776 -1.171 -9.704) 9.805 11.574 ( -0.776 1.171 -9.704) 9.805 11.777 ( 1.263 -1.112 0.394) 1.729 11.777 ( 1.263 1.112 0.394) 1.729 11.882 ( -2.923 -6.313 0.616) 6.984 11.882 ( -2.923 6.313 0.616) 6.984 12.092 ( 0.539 -3.243 5.971) 6.816 12.092 ( 0.539 3.243 5.971) 6.816 12.123 ( -0.649 -3.657 5.550) 6.678 12.123 ( -0.649 3.657 5.550) 6.678 12.434 ( 1.214 -3.284 8.076) 8.803 12.434 ( 1.214 3.284 8.076) 8.803 12.496 ( -1.144 -2.997 4.714) 5.702 12.496 ( -1.144 2.997 4.714) 5.702 12.804 ( 0.270 -8.432 0.743) 8.469 12.804 ( 0.270 8.432 0.743) 8.469 12.805 ( 0.252 -7.836 0.986) 7.902 12.805 ( 0.252 7.836 0.986) 7.902 13.811 ( 1.400 -6.957 -0.268) 7.101 13.811 ( 1.400 6.957 -0.268) 7.101 13.905 ( -1.979 -5.888 5.199) 8.101 13.905 ( -1.979 5.888 5.199) 8.101 14.012 ( 2.405 -5.333 4.432) 7.340 14.012 ( 2.405 5.333 4.432) 7.340 14.093 ( -0.395 -10.935 0.537) 10.955 14.093 ( -0.395 10.935 0.537) 10.955 14.711 ( 1.081 -4.818 -1.571) 5.182 14.711 ( 1.081 4.818 -1.571) 5.182 14.763 ( -0.860 -5.224 -2.085) 5.690 14.763 ( -0.860 5.224 -2.085) 5.690 16.193 ( 0.500 -1.698 -1.916) 2.609 16.193 ( 0.500 1.698 -1.916) 2.609 16.228 ( -0.766 -1.022 -2.337) 2.663 16.228 ( -0.766 1.022 -2.337) 2.663 16.397 ( 0.768 -4.844 2.093) 5.332 16.397 ( 0.768 4.844 2.093) 5.332 16.450 ( -1.280 -3.509 2.750) 4.638 16.450 ( -1.280 3.509 2.750) 4.638 16.776 ( 1.725 -6.016 0.278) 6.265 16.776 ( 1.725 6.016 0.278) 6.265 16.818 ( 0.839 -1.843 1.167) 2.337 16.818 ( 0.839 1.843 1.167) 2.337 17.035 ( 1.313 -3.088 2.341) 4.092 17.035 ( 1.313 3.088 2.341) 4.092 17.157 ( -2.422 -3.234 2.744) 4.884 17.157 ( -2.422 3.234 2.744) 4.884 17.837 ( 3.292 -5.119 -1.753) 6.333 17.837 ( 3.292 5.119 -1.753) 6.333 18.009 ( -2.072 -10.688 0.870) 10.921 18.009 ( -2.072 10.688 0.870) 10.921 18.360 ( 0.202 -5.305 -7.230) 8.970 18.360 ( 0.202 5.305 -7.230) 8.970 18.510 ( -5.250 -5.958 -2.740) 8.400 18.510 ( -5.250 5.958 -2.740) 8.400 18.973 ( 8.010 -4.637 3.711) 9.972 18.973 ( 8.010 4.637 3.711) 9.972 19.243 ( -2.804 -9.917 -2.176) 10.533 19.243 ( -2.804 9.917 -2.176) 10.533 19.932 ( -0.262 -4.626 -0.534) 4.664 19.932 ( -0.262 4.626 -0.534) 4.664 20.004 ( -2.861 -2.790 2.080) 4.505 20.004 ( -2.861 2.790 2.080) 4.505 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -10.268 -2.523 4.126) 11.350 2.148 ( -9.029 -0.619 4.126) 9.946 2.148 ( 9.029 0.619 4.126) 9.946 2.148 ( 10.268 2.523 4.126) 11.350 2.777 ( -9.131 -10.612 -4.107) 14.589 2.777 ( 8.945 -10.572 -4.107) 14.445 2.777 ( -8.945 10.572 -4.107) 14.445 2.777 ( 9.131 10.612 -4.107) 14.589 2.984 ( -3.461 -12.847 -1.665) 13.409 2.984 ( 3.325 -12.838 -1.665) 13.366 2.984 ( -3.325 12.838 -1.665) 13.366 2.984 ( 3.461 12.847 -1.665) 13.409 3.185 ( -1.215 -0.452 2.017) 2.397 3.185 ( -1.001 -0.293 2.017) 2.271 3.185 ( 1.001 0.293 2.017) 2.271 3.185 ( 1.215 0.452 2.017) 2.397 3.587 ( -3.061 -2.626 -9.285) 10.123 3.587 ( -1.607 -2.280 -9.285) 9.695 3.587 ( 1.607 2.280 -9.285) 9.695 3.587 ( 3.061 2.626 -9.285) 10.123 3.822 ( -1.869 -4.741 2.134) 5.525 3.822 ( 0.124 -4.648 2.134) 5.116 3.822 ( -0.124 4.648 2.134) 5.116 3.822 ( 1.869 4.741 2.134) 5.525 4.204 ( -1.735 -1.706 -5.997) 6.472 4.204 ( -0.777 -1.519 -5.997) 6.236 4.204 ( 0.777 1.519 -5.997) 6.236 4.204 ( 1.735 1.706 -5.997) 6.472 4.469 ( -2.475 -12.819 6.483) 14.577 4.469 ( 2.472 -12.819 6.483) 14.576 4.469 ( -2.472 12.819 6.483) 14.576 4.469 ( 2.475 12.819 6.483) 14.577 4.739 ( -4.319 -3.525 -2.904) 6.286 4.739 ( 3.455 -3.278 -2.904) 5.578 4.739 ( -3.455 3.278 -2.904) 5.578 4.739 ( 4.319 3.525 -2.904) 6.286 4.915 ( -1.790 -3.564 0.803) 4.068 4.915 ( 1.035 -3.488 0.803) 3.726 4.915 ( -1.035 3.488 0.803) 3.726 4.915 ( 1.790 3.564 0.803) 4.068 5.264 ( -2.580 -3.313 5.792) 7.154 5.264 ( 1.319 -3.122 5.792) 6.711 5.264 ( -1.319 3.122 5.792) 6.711 5.264 ( 2.580 3.313 5.792) 7.154 5.575 ( -2.141 -3.124 -0.972) 3.910 5.575 ( 1.264 -3.002 -0.972) 3.399 5.575 ( -1.264 3.002 -0.972) 3.399 5.575 ( 2.141 3.124 -0.972) 3.910 5.784 ( -4.058 -3.852 -0.084) 5.595 5.784 ( 1.113 -3.321 -0.084) 3.504 5.784 ( -1.113 3.321 -0.084) 3.504 5.784 ( 4.058 3.852 -0.084) 5.595 6.001 ( -0.363 -1.423 1.361) 2.002 6.001 ( 0.362 -1.423 1.361) 2.002 6.001 ( -0.362 1.423 1.361) 2.002 6.001 ( 0.363 1.423 1.361) 2.002 6.535 ( -4.547 -0.728 1.031) 4.718 6.535 ( -4.419 0.494 1.031) 4.565 6.535 ( 4.419 -0.494 1.031) 4.565 6.535 ( 4.547 0.728 1.031) 4.718 8.004 ( -3.792 -10.971 4.031) 12.287 8.004 ( 3.792 -10.971 4.031) 12.287 8.004 ( -3.792 10.971 4.031) 12.287 8.004 ( 3.792 10.971 4.031) 12.287 8.476 ( -0.886 -3.829 -0.613) 3.978 8.476 ( 0.886 -3.829 -0.613) 3.978 8.476 ( -0.886 3.829 -0.613) 3.978 8.476 ( 0.886 3.829 -0.613) 3.978 8.962 ( -0.736 -3.038 1.475) 3.456 8.962 ( 0.732 -3.038 1.475) 3.455 8.962 ( -0.732 3.038 1.475) 3.455 8.962 ( 0.736 3.038 1.475) 3.456 9.571 ( -0.339 -6.076 -1.944) 6.388 9.571 ( 0.338 -6.076 -1.944) 6.388 9.571 ( -0.338 6.076 -1.944) 6.388 9.571 ( 0.339 6.076 -1.944) 6.388 10.064 ( -0.815 -4.248 3.261) 5.417 10.064 ( 0.804 -4.247 3.261) 5.415 10.064 ( -0.804 4.247 3.261) 5.415 10.064 ( 0.815 4.248 3.261) 5.417 10.315 ( -0.515 -6.454 8.082) 10.356 10.315 ( 0.511 -6.454 8.082) 10.356 10.315 ( -0.511 6.454 8.082) 10.356 10.315 ( 0.515 6.455 8.082) 10.356 10.869 ( -0.773 -11.599 -6.135) 13.144 10.869 ( 0.767 -11.599 -6.135) 13.144 10.869 ( -0.767 11.599 -6.135) 13.144 10.869 ( 0.773 11.599 -6.135) 13.144 11.332 ( -0.596 -8.934 -13.453) 16.161 11.332 ( 0.582 -8.934 -13.453) 16.160 11.332 ( -0.582 8.934 -13.453) 16.160 11.332 ( 0.596 8.934 -13.453) 16.161 11.556 ( -0.778 -1.522 -10.676) 10.812 11.556 ( 0.773 -1.522 -10.676) 10.811 11.556 ( -0.773 1.522 -10.676) 10.811 11.556 ( 0.778 1.522 -10.676) 10.812 11.818 ( -2.408 -3.807 0.286) 4.514 11.818 ( 1.796 -3.722 0.286) 4.143 11.818 ( -1.796 3.722 0.286) 4.143 11.818 ( 2.408 3.807 0.286) 4.514 12.107 ( -0.767 -3.657 5.746) 6.854 12.107 ( 0.750 -3.656 5.746) 6.852 12.107 ( -0.750 3.656 5.746) 6.852 12.107 ( 0.767 3.657 5.746) 6.854 12.465 ( -1.360 -4.897 6.707) 8.415 12.465 ( 1.178 -4.886 6.707) 8.381 12.465 ( -1.178 4.886 6.707) 8.381 12.465 ( 1.360 4.897 6.707) 8.415 12.808 ( -0.021 -10.448 0.785) 10.477 12.808 ( 0.021 -10.448 0.785) 10.477 12.808 ( -0.021 10.448 0.785) 10.477 12.808 ( 0.021 10.448 0.785) 10.477 13.854 ( -2.410 -6.938 3.073) 7.962 13.854 ( 2.367 -6.934 3.073) 7.945 13.854 ( -2.367 6.934 3.073) 7.945 13.854 ( 2.410 6.938 3.073) 7.962 14.067 ( -2.146 -8.798 1.835) 9.240 14.067 ( 2.142 -8.798 1.835) 9.239 14.067 ( -2.142 8.798 1.835) 9.239 14.067 ( 2.146 8.798 1.835) 9.240 14.738 ( -1.355 -5.028 -1.720) 5.484 14.738 ( 1.355 -5.028 -1.720) 5.484 14.738 ( -1.355 5.028 -1.720) 5.484 14.738 ( 1.355 5.028 -1.720) 5.484 16.209 ( -0.759 -1.262 -2.362) 2.784 16.209 ( 0.420 -1.222 -2.362) 2.693 16.209 ( -0.420 1.222 -2.362) 2.693 16.209 ( 0.759 1.262 -2.362) 2.784 16.420 ( -1.370 -3.970 2.663) 4.973 16.420 ( 1.370 -3.970 2.663) 4.973 16.420 ( -1.370 3.970 2.663) 4.973 16.420 ( 1.370 3.970 2.663) 4.973 16.813 ( -1.328 -5.423 1.224) 5.716 16.813 ( 1.311 -5.422 1.224) 5.711 16.813 ( -1.311 5.422 1.224) 5.711 16.813 ( 1.328 5.423 1.224) 5.716 17.090 ( -3.421 -3.481 1.904) 5.239 17.090 ( 3.242 -3.438 1.904) 5.095 17.090 ( -3.242 3.438 1.904) 5.095 17.090 ( 3.421 3.481 1.904) 5.239 17.929 ( -4.600 -10.305 -1.355) 11.366 17.929 ( 4.268 -10.270 -1.355) 11.203 17.929 ( -4.268 10.270 -1.355) 11.203 17.929 ( 4.600 10.305 -1.355) 11.366 18.406 ( -3.964 -3.765 -3.394) 6.435 18.406 ( 3.669 -3.689 -3.394) 6.212 18.406 ( -3.669 3.689 -3.394) 6.212 18.406 ( 3.964 3.765 -3.394) 6.435 19.140 ( -6.718 -7.160 0.230) 9.821 19.140 ( 5.983 -6.995 0.230) 9.208 19.140 ( -5.983 6.995 0.230) 9.208 19.140 ( 6.718 7.160 0.230) 9.821 19.947 ( -1.775 -4.521 0.743) 4.913 19.947 ( 1.639 -4.508 0.743) 4.854 19.947 ( -1.639 4.508 0.743) 4.854 19.947 ( 1.775 4.521 0.743) 4.913 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 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| 0.870 ( 0.000 0.000 3.566) 3.566 0.904 ( 0.000 0.000 -0.648) 0.648 1.051 ( 0.000 0.000 25.351) 25.351 1.516 ( 0.000 0.000 -15.977) 15.977 1.519 ( 0.000 0.000 29.855) 29.855 1.703 ( 0.000 0.000 25.810) 25.810 2.092 ( 0.000 0.000 -24.160) 24.160 2.203 ( 0.000 0.000 -20.924) 20.924 2.304 ( 0.000 0.000 36.394) 36.394 2.754 ( 0.000 0.000 29.649) 29.649 2.808 ( 0.000 0.000 0.520) 0.520 2.820 ( 0.000 0.000 -8.458) 8.458 2.835 ( 0.000 0.000 -3.135) 3.135 2.887 ( 0.000 0.000 0.466) 0.466 2.941 ( 0.000 0.000 -5.517) 5.517 3.002 ( 0.000 0.000 4.769) 4.769 3.034 ( 0.000 0.000 2.497) 2.497 3.118 ( 0.000 0.000 3.044) 3.044 3.233 ( 0.000 0.000 0.436) 0.436 3.283 ( 0.000 0.000 12.518) 12.518 3.354 ( 0.000 0.000 -3.454) 3.454 3.412 ( 0.000 0.000 -20.576) 20.576 3.477 ( 0.000 0.000 -6.018) 6.018 3.698 ( 0.000 0.000 -21.383) 21.383 3.897 ( 0.000 0.000 -4.352) 4.352 3.959 ( 0.000 0.000 -8.906) 8.906 4.011 ( 0.000 0.000 -0.744) 0.744 4.079 ( 0.000 0.000 -9.680) 9.680 4.249 ( 0.000 0.000 2.966) 2.966 4.278 ( 0.000 0.000 -0.381) 0.381 4.615 ( 0.000 0.000 3.346) 3.346 4.634 ( 0.000 0.000 0.713) 0.713 4.699 ( 0.000 0.000 6.717) 6.717 4.709 ( 0.000 0.000 3.009) 3.009 4.751 ( 0.000 0.000 0.136) 0.136 4.762 ( 0.000 0.000 5.136) 5.136 4.847 ( 0.000 0.000 -1.108) 1.108 4.865 ( 0.000 0.000 5.575) 5.575 4.877 ( 0.000 0.000 -1.912) 1.912 4.981 ( 0.000 0.000 -4.769) 4.769 5.217 ( 0.000 0.000 13.297) 13.297 5.294 ( 0.000 0.000 2.532) 2.532 5.391 ( 0.000 0.000 17.385) 17.385 5.402 ( 0.000 0.000 -7.194) 7.194 5.511 ( 0.000 0.000 -12.933) 12.933 5.627 ( 0.000 0.000 2.757) 2.757 5.648 ( 0.000 0.000 1.767) 1.767 5.775 ( 0.000 0.000 -11.645) 11.645 5.813 ( 0.000 0.000 -0.185) 0.185 5.816 ( 0.000 0.000 3.438) 3.438 5.853 ( 0.000 0.000 -4.508) 4.508 5.880 ( 0.000 0.000 -10.020) 10.020 6.044 ( 0.000 0.000 5.332) 5.332 6.077 ( 0.000 0.000 3.956) 3.956 6.188 ( 0.000 0.000 -7.243) 7.243 6.243 ( 0.000 0.000 -11.954) 11.954 6.324 ( 0.000 0.000 4.396) 4.396 6.432 ( 0.000 0.000 -6.746) 6.746 6.637 ( 0.000 0.000 5.804) 5.804 6.780 ( 0.000 0.000 -8.239) 8.239 7.340 ( 0.000 0.000 23.053) 23.053 7.548 ( 0.000 0.000 25.104) 25.104 7.835 ( 0.000 0.000 -23.669) 23.669 7.885 ( 0.000 0.000 10.854) 10.854 7.966 ( 0.000 0.000 11.852) 11.852 8.056 ( 0.000 0.000 -22.729) 22.729 8.062 ( 0.000 0.000 -6.302) 6.302 8.158 ( 0.000 0.000 -6.795) 6.795 8.946 ( 0.000 0.000 13.554) 13.554 8.963 ( 0.000 0.000 13.765) 13.765 9.029 ( 0.000 0.000 11.423) 11.423 9.107 ( 0.000 0.000 1.417) 1.417 9.159 ( 0.000 0.000 10.527) 10.527 9.211 ( 0.000 0.000 0.815) 0.815 9.277 ( 0.000 0.000 -17.817) 17.817 9.295 ( 0.000 0.000 -17.707) 17.707 9.405 ( 0.000 0.000 4.235) 4.235 9.596 ( 0.000 0.000 0.167) 0.167 9.668 ( 0.000 0.000 -13.605) 13.605 9.703 ( 0.000 0.000 -8.207) 8.207 9.878 ( 0.000 0.000 10.941) 10.941 9.890 ( 0.000 0.000 10.932) 10.932 10.115 ( 0.000 0.000 -11.557) 11.557 10.125 ( 0.000 0.000 -11.383) 11.383 10.830 ( 0.000 0.000 1.787) 1.787 10.894 ( 0.000 0.000 3.266) 3.266 10.898 ( 0.000 0.000 3.156) 3.156 10.929 ( 0.000 0.000 4.506) 4.506 10.967 ( 0.000 0.000 -2.932) 2.932 10.973 ( 0.000 0.000 -3.351) 3.351 10.976 ( 0.000 0.000 -12.730) 12.730 11.116 ( 0.000 0.000 -13.279) 13.279 11.736 ( 0.000 0.000 10.279) 10.279 11.854 ( 0.000 0.000 -1.692) 1.692 11.954 ( 0.000 0.000 18.419) 18.419 11.957 ( 0.000 0.000 1.602) 1.602 11.970 ( 0.000 0.000 1.773) 1.773 11.996 ( 0.000 0.000 -1.437) 1.437 12.003 ( 0.000 0.000 18.688) 18.688 12.011 ( 0.000 0.000 -1.551) 1.551 12.134 ( 0.000 0.000 15.501) 15.501 12.225 ( 0.000 0.000 -8.904) 8.904 12.434 ( 0.000 0.000 -20.122) 20.122 12.488 ( 0.000 0.000 -16.506) 16.506 12.784 ( 0.000 0.000 11.390) 11.390 12.789 ( 0.000 0.000 11.818) 11.818 12.998 ( 0.000 0.000 -9.201) 9.201 13.011 ( 0.000 0.000 -9.457) 9.457 13.437 ( 0.000 0.000 9.013) 9.013 13.557 ( 0.000 0.000 -3.352) 3.352 13.570 ( 0.000 0.000 6.118) 6.118 13.651 ( 0.000 0.000 -1.442) 1.442 13.748 ( 0.000 0.000 15.448) 15.448 14.048 ( 0.000 0.000 -11.780) 11.780 14.233 ( 0.000 0.000 5.846) 5.846 14.253 ( 0.000 0.000 8.301) 8.301 14.280 ( 0.000 0.000 7.141) 7.141 14.317 ( 0.000 0.000 -2.075) 2.075 14.319 ( 0.000 0.000 7.291) 7.291 14.419 ( 0.000 0.000 -7.265) 7.265 14.463 ( 0.000 0.000 -6.245) 6.245 14.466 ( 0.000 0.000 -10.444) 10.444 14.550 ( 0.000 0.000 9.384) 9.384 14.759 ( 0.000 0.000 -10.191) 10.191 15.726 ( 0.000 0.000 3.821) 3.821 15.753 ( 0.000 0.000 2.814) 2.814 15.808 ( 0.000 0.000 -3.817) 3.817 15.815 ( 0.000 0.000 -3.101) 3.101 16.020 ( 0.000 0.000 1.167) 1.167 16.053 ( 0.000 0.000 -1.976) 1.976 16.074 ( 0.000 0.000 1.494) 1.494 16.110 ( 0.000 0.000 -1.817) 1.817 16.685 ( 0.000 0.000 2.441) 2.441 16.727 ( 0.000 0.000 -1.235) 1.235 17.001 ( 0.000 0.000 8.226) 8.226 17.091 ( 0.000 0.000 -2.352) 2.352 17.106 ( 0.000 0.000 2.013) 2.013 17.252 ( 0.000 0.000 -9.905) 9.905 17.405 ( 0.000 0.000 2.102) 2.102 17.430 ( 0.000 0.000 3.505) 3.505 17.446 ( 0.000 0.000 -1.720) 1.720 17.494 ( 0.000 0.000 -2.509) 2.509 17.547 ( 0.000 0.000 1.319) 1.319 17.572 ( 0.000 0.000 -1.047) 1.047 17.763 ( 0.000 0.000 1.662) 1.662 17.826 ( 0.000 0.000 -4.066) 4.066 18.378 ( 0.000 0.000 10.615) 10.615 18.615 ( 0.000 0.000 -11.845) 11.845 19.144 ( 0.000 0.000 21.511) 21.511 19.307 ( 0.000 0.000 1.176) 1.176 19.468 ( 0.000 0.000 7.232) 7.232 19.764 ( 0.000 0.000 9.339) 9.339 19.856 ( 0.000 0.000 -21.184) 21.184 19.951 ( 0.000 0.000 -9.728) 9.728 20.369 ( 0.000 0.000 -1.801) 1.801 20.377 ( 0.000 0.000 -4.315) 4.315 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.149 0.000 3.543) 3.547 0.897 ( -0.694 0.000 0.536) 0.877 1.494 ( 32.829 0.000 14.532) 35.902 1.546 ( 2.359 0.000 28.610) 28.707 1.676 ( -2.437 0.000 25.758) 25.873 1.755 ( 20.362 0.000 -7.001) 21.531 2.105 ( 1.200 0.000 -23.506) 23.537 2.183 ( -1.701 0.000 -21.251) 21.319 2.386 ( 6.384 0.000 29.735) 30.412 2.563 ( -13.742 0.000 26.893) 30.200 2.820 ( 0.971 0.000 0.441) 1.067 2.838 ( -7.328 0.000 -5.123) 8.941 2.843 ( 0.514 0.000 -2.334) 2.390 2.878 ( -11.297 0.000 5.663) 12.637 2.887 ( 0.208 0.000 -0.605) 0.639 2.931 ( -0.929 0.000 -5.076) 5.160 2.990 ( -2.612 0.000 -2.561) 3.658 3.053 ( -8.212 0.000 -9.562) 12.604 3.157 ( -0.581 0.000 1.151) 1.289 3.201 ( -1.850 0.000 10.133) 10.301 3.316 ( 1.845 0.000 -3.879) 4.296 3.457 ( 4.449 0.000 -9.649) 10.626 3.619 ( 5.437 0.000 -4.612) 7.129 3.744 ( 3.184 0.000 -11.875) 12.294 3.931 ( 4.371 0.000 -5.709) 7.190 3.960 ( -0.704 0.000 -4.561) 4.615 4.057 ( -2.644 0.000 0.132) 2.648 4.132 ( 3.992 0.000 -7.000) 8.058 4.255 ( 0.504 0.000 2.504) 2.554 4.275 ( -0.239 0.000 0.138) 0.276 4.548 ( -8.046 0.000 3.257) 8.680 4.632 ( 1.543 0.000 3.039) 3.408 4.649 ( 1.361 0.000 0.905) 1.634 4.661 ( -12.307 0.000 -5.816) 13.612 4.699 ( -0.911 0.000 2.750) 2.897 4.733 ( -1.605 0.000 0.591) 1.711 4.759 ( -1.352 0.000 7.015) 7.144 4.810 ( -3.081 0.000 2.867) 4.209 4.910 ( 1.490 0.000 -0.585) 1.601 4.960 ( -1.088 0.000 -4.418) 4.550 5.236 ( 1.736 0.000 13.403) 13.515 5.328 ( 2.929 0.000 2.261) 3.700 5.356 ( -2.902 0.000 15.641) 15.908 5.423 ( 0.511 0.000 -6.506) 6.526 5.536 ( 2.215 0.000 -12.239) 12.438 5.564 ( -1.990 0.000 5.725) 6.061 5.632 ( -2.176 0.000 0.261) 2.192 5.701 ( -4.804 0.000 -11.431) 12.399 5.847 ( 1.645 0.000 2.044) 2.624 5.887 ( 0.144 0.000 -3.202) 3.205 5.888 ( 3.982 0.000 0.539) 4.019 5.946 ( 3.294 0.000 -4.911) 5.914 6.096 ( 5.234 0.000 1.288) 5.390 6.116 ( 3.053 0.000 -1.862) 3.576 6.156 ( -0.009 0.000 -3.842) 3.842 6.228 ( -1.416 0.000 -11.018) 11.109 6.443 ( 7.325 0.000 -0.792) 7.367 6.498 ( 4.634 0.000 -5.821) 7.440 6.623 ( -0.736 0.000 4.408) 4.469 6.747 ( -3.000 0.000 -7.535) 8.110 7.370 ( 2.726 0.000 23.023) 23.183 7.517 ( -2.706 0.000 24.564) 24.712 7.864 ( 2.605 0.000 -23.390) 23.535 7.895 ( 0.955 0.000 10.941) 10.982 7.952 ( -1.175 0.000 11.471) 11.531 8.021 ( -3.123 0.000 -22.770) 22.983 8.077 ( 1.306 0.000 -6.139) 6.276 8.145 ( -1.225 0.000 -6.661) 6.773 8.948 ( 0.207 0.000 13.588) 13.590 8.960 ( -0.241 0.000 13.736) 13.738 9.028 ( 0.037 0.000 10.245) 10.245 9.093 ( -3.546 0.000 9.408) 10.054 9.125 ( 1.544 0.000 1.478) 2.137 9.200 ( -1.376 0.000 -0.292) 1.407 9.279 ( 0.235 0.000 -17.800) 17.802 9.292 ( -0.245 0.000 -17.723) 17.725 9.502 ( 6.183 0.000 2.906) 6.832 9.598 ( 0.376 0.000 -0.146) 0.403 9.708 ( 2.525 0.000 -10.434) 10.735 9.722 ( 1.481 0.000 -8.130) 8.263 9.879 ( 0.154 0.000 10.943) 10.944 9.888 ( -0.158 0.000 10.936) 10.937 10.117 ( 0.126 0.000 -11.533) 11.534 10.124 ( -0.123 0.000 -11.410) 11.411 10.840 ( 0.940 0.000 2.066) 2.270 10.895 ( 0.044 0.000 3.234) 3.234 10.898 ( -0.061 0.000 3.154) 3.155 10.908 ( -1.630 0.000 3.082) 3.487 10.968 ( 0.089 0.000 -2.976) 2.978 10.972 ( -0.054 0.000 -3.274) 3.275 10.997 ( 1.676 0.000 -11.656) 11.776 11.093 ( -2.017 0.000 -12.844) 13.001 11.762 ( 2.346 0.000 10.434) 10.695 11.872 ( 0.939 0.000 1.109) 1.453 11.933 ( -1.086 0.000 15.094) 15.133 11.959 ( 0.118 0.000 1.608) 1.612 11.967 ( -0.206 0.000 1.685) 1.698 11.998 ( 0.244 0.000 -1.391) 1.412 12.006 ( 0.292 0.000 16.871) 16.874 12.009 ( -0.156 0.000 -1.515) 1.523 12.104 ( -2.277 0.000 14.929) 15.101 12.176 ( -4.780 0.000 -6.078) 7.732 12.430 ( 0.049 0.000 -19.132) 19.132 12.473 ( -1.184 0.000 -16.849) 16.891 12.784 ( 0.073 0.000 11.452) 11.452 12.789 ( -0.079 0.000 11.754) 11.754 13.000 ( 0.172 0.000 -9.237) 9.238 13.009 ( -0.181 0.000 -9.418) 9.419 13.425 ( -0.711 0.000 9.496) 9.523 13.505 ( -3.667 0.000 2.957) 4.711 13.586 ( 0.400 0.000 0.082) 0.409 13.621 ( -2.114 0.000 -0.328) 2.139 13.763 ( 1.426 0.000 15.446) 15.512 13.993 ( -12.237 0.000 13.679) 18.353 14.075 ( 1.361 0.000 -8.470) 8.579 14.205 ( -3.987 0.000 -3.157) 5.085 14.262 ( 0.792 0.000 8.098) 8.136 14.308 ( -0.933 0.000 7.285) 7.344 14.386 ( 3.258 0.000 6.412) 7.192 14.427 ( 0.656 0.000 -6.961) 6.992 14.457 ( -0.508 0.000 -6.338) 6.359 14.462 ( -0.615 0.000 7.422) 7.448 14.652 ( 4.778 0.000 -8.516) 9.764 14.751 ( -0.827 0.000 -10.515) 10.548 15.729 ( 0.275 0.000 3.497) 3.508 15.747 ( -0.430 0.000 2.670) 2.704 15.812 ( 0.272 0.000 -3.415) 3.425 15.816 ( 0.077 0.000 -3.026) 3.027 16.027 ( 0.645 0.000 1.234) 1.393 16.058 ( 0.142 0.000 -0.882) 0.894 16.069 ( -0.097 0.000 0.367) 0.379 16.102 ( -0.673 0.000 -1.865) 1.983 16.688 ( 0.644 0.000 2.681) 2.757 16.736 ( 0.949 0.000 -1.577) 1.840 16.873 ( -8.653 0.000 3.923) 9.501 16.924 ( -10.034 0.000 -0.811) 10.067 17.112 ( 0.851 0.000 1.694) 1.896 17.172 ( -1.418 0.000 -3.048) 3.361 17.396 ( -0.554 0.000 1.511) 1.609 17.421 ( -1.676 0.000 -0.730) 1.828 17.511 ( 3.287 0.000 2.084) 3.892 17.561 ( 0.755 0.000 -2.658) 2.764 17.569 ( 1.377 0.000 0.541) 1.480 17.582 ( 0.657 0.000 -0.668) 0.937 17.883 ( 10.749 0.000 6.436) 12.528 18.023 ( 11.661 0.000 -5.709) 12.984 18.372 ( -0.291 0.000 8.880) 8.885 18.561 ( -5.059 0.000 -7.567) 9.103 19.174 ( 2.725 0.000 16.926) 17.144 19.293 ( -1.312 0.000 3.019) 3.292 19.518 ( 4.245 0.000 2.488) 4.921 19.739 ( -3.040 0.000 1.030) 3.210 19.859 ( 0.851 0.000 -11.442) 11.473 19.936 ( -1.167 0.000 -4.633) 4.778 20.281 ( -5.426 0.000 -5.283) 7.573 20.314 ( -5.197 0.000 -7.824) 9.393 ======================= Grid point 92 (33/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.726 0.000 2.616) 2.715 0.880 ( 0.726 0.000 2.616) 2.715 1.610 ( -3.403 0.000 26.550) 26.767 1.610 ( 3.403 0.000 26.550) 26.767 2.141 ( -2.030 0.000 -22.224) 22.317 2.141 ( 2.030 0.000 -22.224) 22.317 2.141 ( -24.682 0.000 20.452) 32.054 2.141 ( 24.682 0.000 20.452) 32.054 2.289 ( -25.252 0.000 1.666) 25.307 2.289 ( 25.252 0.000 1.666) 25.307 2.668 ( -6.640 0.000 2.710) 7.171 2.668 ( 6.640 0.000 2.710) 7.171 2.841 ( -0.772 0.000 -0.075) 0.776 2.841 ( 0.772 0.000 -0.075) 0.776 2.905 ( -1.301 0.000 -3.665) 3.889 2.905 ( 1.301 0.000 -3.665) 3.889 2.976 ( -1.367 0.000 -9.376) 9.475 2.976 ( 1.367 0.000 -9.376) 9.475 3.186 ( -1.823 0.000 8.522) 8.715 3.186 ( 1.823 0.000 8.522) 8.715 3.435 ( -7.377 0.000 -3.928) 8.358 3.435 ( 7.377 0.000 -3.928) 8.358 3.711 ( -11.085 0.000 6.902) 13.058 3.711 ( 11.085 0.000 6.902) 13.058 3.969 ( -5.669 0.000 -4.664) 7.341 3.969 ( 5.669 0.000 -4.664) 7.341 4.090 ( -6.054 0.000 -12.146) 13.571 4.090 ( 6.054 0.000 -12.146) 13.571 4.267 ( -0.528 0.000 1.350) 1.450 4.267 ( 0.528 0.000 1.350) 1.450 4.490 ( -1.788 0.000 -4.316) 4.672 4.490 ( 1.788 0.000 -4.316) 4.672 4.670 ( -1.730 0.000 2.415) 2.970 4.670 ( 1.730 0.000 2.415) 2.970 4.689 ( -2.243 0.000 1.267) 2.576 4.689 ( 2.243 0.000 1.267) 2.576 4.755 ( -1.399 0.000 5.100) 5.288 4.755 ( 1.399 0.000 5.100) 5.288 4.939 ( -1.165 0.000 -2.066) 2.372 4.939 ( 1.165 0.000 -2.066) 2.372 5.288 ( -3.063 0.000 14.039) 14.369 5.288 ( 3.063 0.000 14.039) 14.369 5.396 ( -2.830 0.000 -1.076) 3.027 5.396 ( 2.830 0.000 -1.076) 3.027 5.573 ( -2.425 0.000 2.868) 3.756 5.573 ( 2.425 0.000 2.868) 3.756 5.603 ( -4.033 0.000 -12.029) 12.687 5.603 ( 4.033 0.000 -12.029) 12.687 5.877 ( -1.058 0.000 1.555) 1.880 5.877 ( 1.058 0.000 1.555) 1.880 5.951 ( -1.790 0.000 -1.571) 2.382 5.951 ( 1.790 0.000 -1.571) 2.382 6.170 ( -0.768 0.000 -3.312) 3.399 6.170 ( 0.768 0.000 -3.312) 3.399 6.182 ( -2.822 0.000 -7.991) 8.475 6.182 ( 2.822 0.000 -7.991) 8.475 6.545 ( -1.706 0.000 -1.088) 2.023 6.545 ( 1.706 0.000 -1.088) 2.023 6.661 ( -4.528 0.000 -4.477) 6.368 6.661 ( 4.528 0.000 -4.477) 6.368 7.444 ( -3.842 0.000 23.490) 23.802 7.444 ( 3.842 0.000 23.490) 23.802 7.922 ( -1.457 0.000 11.146) 11.241 7.922 ( 1.457 0.000 11.146) 11.241 7.939 ( -4.116 0.000 -22.955) 23.321 7.939 ( 4.116 0.000 -22.955) 23.321 8.111 ( -1.740 0.000 -6.338) 6.573 8.111 ( 1.740 0.000 -6.338) 6.573 8.954 ( -0.317 0.000 13.665) 13.668 8.954 ( 0.317 0.000 13.665) 13.668 9.040 ( -1.384 0.000 9.082) 9.187 9.040 ( 1.384 0.000 9.082) 9.187 9.164 ( -1.877 0.000 0.078) 1.878 9.164 ( 1.877 0.000 0.078) 1.878 9.286 ( -0.339 0.000 -17.761) 17.764 9.286 ( 0.339 0.000 -17.761) 17.764 9.591 ( -1.802 0.000 0.912) 2.020 9.591 ( 1.802 0.000 0.912) 2.020 9.741 ( -0.263 0.000 -8.306) 8.310 9.741 ( 0.263 0.000 -8.306) 8.310 9.883 ( -0.220 0.000 10.942) 10.944 9.883 ( 0.220 0.000 10.942) 10.944 10.120 ( -0.176 0.000 -11.473) 11.475 10.120 ( 0.176 0.000 -11.473) 11.475 10.870 ( -1.751 0.000 2.585) 3.122 10.870 ( 1.751 0.000 2.585) 3.122 10.896 ( -0.075 0.000 3.177) 3.178 10.896 ( 0.075 0.000 3.177) 3.178 10.970 ( -0.100 0.000 -3.110) 3.111 10.970 ( 0.100 0.000 -3.110) 3.111 11.042 ( -2.459 0.000 -12.054) 12.303 11.042 ( 2.459 0.000 -12.054) 12.303 11.829 ( -3.611 0.000 11.307) 11.870 11.829 ( 3.611 0.000 11.307) 11.870 11.962 ( -0.211 0.000 1.624) 1.638 11.962 ( 0.211 0.000 1.624) 1.638 11.984 ( -3.792 0.000 6.332) 7.381 11.984 ( 3.792 0.000 6.332) 7.381 12.004 ( -0.264 0.000 -1.430) 1.454 12.004 ( 0.264 0.000 -1.430) 1.454 12.079 ( -1.613 0.000 8.898) 9.044 12.079 ( 1.613 0.000 8.898) 9.044 12.445 ( -1.253 0.000 -17.466) 17.511 12.445 ( 1.253 0.000 -17.466) 17.511 12.786 ( -0.107 0.000 11.602) 11.602 12.786 ( 0.107 0.000 11.602) 11.602 13.004 ( -0.249 0.000 -9.326) 9.329 13.004 ( 0.249 0.000 -9.326) 9.329 13.433 ( -2.017 0.000 8.479) 8.715 13.433 ( 2.017 0.000 8.479) 8.715 13.593 ( -0.526 0.000 -0.459) 0.698 13.593 ( 0.526 0.000 -0.459) 0.698 13.819 ( -4.436 0.000 17.538) 18.091 13.819 ( 4.436 0.000 17.538) 18.091 14.128 ( -3.126 0.000 -8.329) 8.896 14.128 ( 3.126 0.000 -8.329) 8.896 14.284 ( -1.185 0.000 7.625) 7.717 14.284 ( 1.185 0.000 7.625) 7.717 14.438 ( -1.672 0.000 8.809) 8.967 14.438 ( 1.672 0.000 8.809) 8.967 14.443 ( -0.789 0.000 -6.583) 6.630 14.443 ( 0.789 0.000 -6.583) 6.630 14.720 ( -2.089 0.000 -10.682) 10.884 14.720 ( 2.089 0.000 -10.682) 10.884 15.737 ( -0.453 0.000 2.899) 2.934 15.737 ( 0.453 0.000 2.899) 2.934 15.816 ( -0.094 0.000 -3.031) 3.033 15.816 ( 0.094 0.000 -3.031) 3.033 16.045 ( -0.927 0.000 1.294) 1.592 16.045 ( 0.927 0.000 1.294) 1.592 16.083 ( -0.975 0.000 -1.873) 2.111 16.083 ( 0.975 0.000 -1.873) 2.111 16.733 ( -4.065 0.000 2.780) 4.925 16.733 ( 4.065 0.000 2.780) 4.925 16.780 ( -3.708 0.000 -1.589) 4.034 16.780 ( 3.708 0.000 -1.589) 4.034 17.144 ( -1.593 0.000 0.308) 1.623 17.144 ( 1.593 0.000 0.308) 1.623 17.395 ( -0.567 0.000 0.440) 0.718 17.395 ( 0.567 0.000 0.440) 0.718 17.550 ( -1.142 0.000 -1.164) 1.631 17.550 ( 1.142 0.000 -1.164) 1.631 17.588 ( -0.282 0.000 -0.114) 0.304 17.588 ( 0.282 0.000 -0.114) 0.304 18.097 ( -5.909 0.000 6.546) 8.818 18.097 ( 5.909 0.000 6.546) 8.818 18.426 ( -6.114 0.000 -1.040) 6.202 18.426 ( 6.114 0.000 -1.040) 6.202 19.244 ( -3.275 0.000 8.753) 9.346 19.244 ( 3.275 0.000 8.753) 9.346 19.633 ( -6.039 0.000 -3.835) 7.154 19.633 ( 6.039 0.000 -3.835) 7.154 19.899 ( -2.332 0.000 -0.367) 2.361 19.899 ( 2.332 0.000 -0.367) 2.361 20.229 ( -1.330 0.000 -11.551) 11.627 20.229 ( 1.330 0.000 -11.551) 11.627 ======================= Grid point 95 (34/45) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 5.033 22.630) 23.183 1.215 ( 0.000 20.355 4.740) 20.900 1.260 ( 0.000 27.259 0.079) 27.259 1.452 ( 0.000 9.664 -1.517) 9.782 1.821 ( 0.000 15.863 7.813) 17.683 2.029 ( 0.000 23.836 14.585) 27.944 2.204 ( 0.000 7.814 -20.421) 21.865 2.394 ( 0.000 16.138 -15.753) 22.552 2.567 ( 0.000 25.765 32.624) 41.571 2.737 ( 0.000 1.336 22.127) 22.168 2.874 ( 0.000 -0.328 -1.051) 1.101 2.885 ( 0.000 2.737 2.537) 3.732 2.951 ( 0.000 12.843 -6.752) 14.509 3.014 ( 0.000 11.790 2.271) 12.007 3.037 ( 0.000 10.010 -1.954) 10.199 3.082 ( 0.000 2.083 2.858) 3.537 3.132 ( 0.000 3.509 4.893) 6.021 3.161 ( 0.000 8.377 -0.709) 8.407 3.272 ( 0.000 8.052 -0.371) 8.061 3.331 ( 0.000 5.234 12.884) 13.907 3.379 ( 0.000 2.948 -7.801) 8.340 3.486 ( 0.000 1.988 -5.035) 5.413 3.505 ( 0.000 10.006 -15.938) 18.819 3.732 ( 0.000 4.476 -20.793) 21.269 3.884 ( 0.000 -1.929 -3.565) 4.053 3.950 ( 0.000 -4.162 1.143) 4.316 3.954 ( 0.000 -0.442 -8.632) 8.643 4.027 ( 0.000 -4.476 -8.633) 9.724 4.201 ( 0.000 -6.726 -0.188) 6.729 4.203 ( 0.000 -5.061 -0.670) 5.106 4.587 ( 0.000 -4.096 1.448) 4.344 4.596 ( 0.000 -3.939 1.862) 4.357 4.721 ( 0.000 2.751 5.957) 6.562 4.724 ( 0.000 0.169 3.376) 3.380 4.781 ( 0.000 0.419 2.019) 2.062 4.788 ( 0.000 -1.089 5.353) 5.463 4.861 ( 0.000 4.801 -1.636) 5.072 4.866 ( 0.000 0.967 -2.145) 2.353 4.995 ( 0.000 10.129 0.323) 10.134 5.029 ( 0.000 5.018 -0.591) 5.053 5.183 ( 0.000 -2.996 7.203) 7.801 5.256 ( 0.000 -3.304 2.580) 4.192 5.384 ( 0.000 -1.215 -0.771) 1.439 5.423 ( 0.000 -4.436 -7.100) 8.371 5.471 ( 0.000 6.110 9.060) 10.928 5.681 ( 0.000 3.165 4.272) 5.317 5.687 ( 0.000 1.286 -4.080) 4.278 5.733 ( 0.000 -3.747 1.945) 4.222 5.775 ( 0.000 -3.064 1.280) 3.321 5.798 ( 0.000 -2.092 1.512) 2.581 5.811 ( 0.000 -1.363 -9.383) 9.481 5.888 ( 0.000 -0.022 -8.090) 8.090 6.015 ( 0.000 -3.557 3.301) 4.853 6.033 ( 0.000 -0.404 2.791) 2.821 6.193 ( 0.000 -0.942 -6.036) 6.109 6.194 ( 0.000 -4.649 -7.945) 9.206 6.323 ( 0.000 -0.272 3.699) 3.709 6.413 ( 0.000 -1.618 -5.387) 5.624 6.651 ( 0.000 1.035 3.748) 3.888 6.758 ( 0.000 -1.858 -6.504) 6.764 7.412 ( 0.000 7.048 20.418) 21.600 7.590 ( 0.000 4.727 22.909) 23.391 7.861 ( 0.000 2.810 -21.715) 21.897 7.961 ( 0.000 6.283 9.593) 11.468 8.034 ( 0.000 6.473 10.205) 12.085 8.047 ( 0.000 1.285 -18.336) 18.381 8.127 ( 0.000 3.624 -7.812) 8.612 8.206 ( 0.000 4.420 -6.847) 8.150 9.015 ( 0.000 5.826 12.058) 13.392 9.026 ( 0.000 5.243 11.936) 13.037 9.030 ( 0.000 0.139 9.556) 9.557 9.110 ( 0.000 1.375 2.445) 2.805 9.132 ( 0.000 -2.064 9.486) 9.708 9.179 ( 0.000 -1.936 2.155) 2.897 9.310 ( 0.000 2.547 -13.473) 13.712 9.343 ( 0.000 4.206 -14.645) 15.237 9.466 ( 0.000 6.233 -0.997) 6.313 9.631 ( 0.000 4.034 -0.367) 4.051 9.665 ( 0.000 0.661 -12.001) 12.020 9.716 ( 0.000 1.950 -6.597) 6.880 10.013 ( 0.000 10.472 10.602) 14.902 10.055 ( 0.000 12.238 8.950) 15.162 10.243 ( 0.000 10.560 -10.780) 15.091 10.260 ( 0.000 11.784 -9.701) 15.264 10.789 ( 0.000 -3.374 0.975) 3.512 10.865 ( 0.000 -2.207 -5.126) 5.581 10.875 ( 0.000 -3.839 3.051) 4.904 10.944 ( 0.000 3.620 -1.498) 3.918 11.007 ( 0.000 2.759 -0.709) 2.848 11.012 ( 0.000 2.309 0.625) 2.392 11.038 ( 0.000 4.134 -7.770) 8.801 11.132 ( 0.000 3.037 -12.125) 12.499 11.656 ( 0.000 -6.377 7.106) 9.548 11.764 ( 0.000 -6.652 -3.042) 7.314 11.890 ( 0.000 -5.448 12.181) 13.344 11.936 ( 0.000 -3.320 16.440) 16.772 11.973 ( 0.000 -1.151 12.021) 12.076 12.000 ( 0.000 -0.744 -2.340) 2.456 12.065 ( 0.000 5.208 3.223) 6.125 12.080 ( 0.000 3.608 -0.690) 3.674 12.106 ( 0.000 -0.178 8.792) 8.794 12.202 ( 0.000 -2.005 -7.832) 8.084 12.335 ( 0.000 -8.823 -17.730) 19.804 12.402 ( 0.000 -6.747 -15.420) 16.831 12.701 ( 0.000 -7.098 8.166) 10.820 12.753 ( 0.000 -3.743 9.460) 10.174 12.834 ( 0.000 -12.609 -3.551) 13.099 12.930 ( 0.000 -7.277 -7.748) 10.630 13.362 ( 0.000 -9.308 5.224) 10.674 13.455 ( 0.000 -10.955 -2.041) 11.143 13.559 ( 0.000 -5.656 4.881) 7.471 13.574 ( 0.000 -9.731 2.928) 10.162 13.756 ( 0.000 0.379 11.102) 11.108 13.815 ( 0.000 -16.822 13.681) 21.683 13.936 ( 0.000 -3.096 -7.016) 7.669 14.028 ( 0.000 -12.113 -6.303) 13.654 14.231 ( 0.000 -3.497 6.057) 6.994 14.354 ( 0.000 -1.106 -1.340) 1.737 14.355 ( 0.000 -4.984 7.916) 9.354 14.413 ( 0.000 1.692 0.412) 1.742 14.483 ( 0.000 3.990 2.568) 4.745 14.600 ( 0.000 7.128 -5.543) 9.030 14.668 ( 0.000 4.105 -5.829) 7.129 14.699 ( 0.000 -5.063 -8.265) 9.692 15.858 ( 0.000 11.381 3.492) 11.905 15.902 ( 0.000 11.986 4.542) 12.817 15.927 ( 0.000 10.447 -2.880) 10.837 16.017 ( 0.000 14.000 -6.565) 15.463 16.066 ( 0.000 4.008 1.286) 4.209 16.107 ( 0.000 4.893 -2.968) 5.723 16.146 ( 0.000 6.227 2.465) 6.697 16.205 ( 0.000 8.062 -3.157) 8.658 16.670 ( 0.000 -1.708 1.592) 2.335 16.689 ( 0.000 -3.752 -0.124) 3.754 16.922 ( 0.000 -11.514 2.827) 11.856 16.962 ( 0.000 -10.990 -1.767) 11.131 17.031 ( 0.000 2.165 5.866) 6.253 17.142 ( 0.000 -2.738 -2.380) 3.628 17.250 ( 0.000 -9.547 -0.167) 9.549 17.267 ( 0.000 -4.531 -2.458) 5.155 17.629 ( 0.000 8.798 -1.348) 8.900 17.637 ( 0.000 10.990 -1.306) 11.067 17.724 ( 0.000 6.576 0.293) 6.582 17.761 ( 0.000 2.710 -2.853) 3.935 17.868 ( 0.000 12.431 2.885) 12.761 17.943 ( 0.000 14.493 -3.953) 15.022 18.374 ( 0.000 -0.148 11.002) 11.003 18.614 ( 0.000 0.048 -11.735) 11.735 19.067 ( 0.000 -7.335 22.032) 23.221 19.282 ( 0.000 -2.541 0.783) 2.659 19.454 ( 0.000 -1.112 2.956) 3.158 19.731 ( 0.000 -11.606 -20.667) 23.703 19.780 ( 0.000 1.507 8.596) 8.727 19.948 ( 0.000 0.007 -7.600) 7.600 20.287 ( 0.000 -6.446 0.729) 6.487 20.317 ( 0.000 -5.123 -3.545) 6.229 ======================= Grid point 96 (35/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.869 23.320 4.003) 23.677 1.247 ( -0.587 26.578 -0.089) 26.585 1.502 ( 25.888 5.928 12.687) 29.433 1.629 ( 17.436 5.801 9.504) 20.688 1.880 ( 2.722 17.081 11.966) 21.032 2.032 ( 3.486 18.080 6.313) 19.465 2.233 ( 2.103 9.637 -17.500) 20.088 2.368 ( -1.383 14.115 -13.321) 19.457 2.583 ( 0.025 20.139 25.057) 32.147 2.669 ( -9.022 10.919 23.633) 27.552 2.820 ( -3.407 1.537 3.364) 5.029 2.856 ( -1.266 1.805 -2.187) 3.106 2.931 ( -2.587 9.457 -4.553) 10.810 2.984 ( -12.276 4.888 -4.524) 13.966 3.019 ( -6.193 5.583 5.937) 10.236 3.032 ( 1.499 11.746 -3.693) 12.403 3.084 ( -0.729 7.815 -3.805) 8.722 3.165 ( -3.811 11.255 -5.431) 13.065 3.180 ( 1.247 2.406 3.389) 4.339 3.222 ( -3.794 3.573 3.459) 6.255 3.378 ( 1.953 8.424 -1.442) 8.767 3.484 ( 4.981 3.352 -7.558) 9.652 3.628 ( 0.372 0.508 -4.836) 4.877 3.758 ( 6.067 2.499 -10.574) 12.445 3.922 ( 0.895 -2.609 -4.968) 5.683 3.931 ( 0.815 -0.716 -2.933) 3.127 4.048 ( -0.715 -0.681 -2.034) 2.261 4.100 ( 6.458 -1.917 -6.938) 9.671 4.199 ( -0.404 -6.502 -0.037) 6.514 4.200 ( -0.853 -5.462 -0.143) 5.530 4.502 ( -5.616 -3.970 2.773) 7.416 4.570 ( -3.265 -5.184 -1.842) 6.397 4.664 ( -3.235 0.825 2.303) 4.056 4.673 ( -2.999 1.319 3.576) 4.850 4.734 ( -3.612 -0.141 1.141) 3.791 4.766 ( -2.447 4.387 0.793) 5.085 4.815 ( -0.076 3.314 1.739) 3.743 4.859 ( -0.683 3.682 -0.972) 3.869 5.006 ( 1.414 7.927 1.501) 8.191 5.042 ( 0.761 8.492 -1.191) 8.609 5.203 ( 2.015 -3.393 7.621) 8.582 5.280 ( 0.909 -4.274 4.251) 6.096 5.376 ( -0.177 -3.739 -2.718) 4.626 5.410 ( -1.023 1.078 -1.756) 2.301 5.468 ( 0.012 3.169 6.193) 6.956 5.620 ( -4.294 1.156 2.279) 4.997 5.659 ( -0.392 2.639 -3.167) 4.141 5.738 ( -0.909 0.680 -3.303) 3.493 5.789 ( 1.122 -3.401 0.859) 3.683 5.857 ( -0.617 -1.994 -5.122) 5.531 5.880 ( 5.332 -2.795 1.250) 6.149 5.937 ( 4.314 -0.921 -2.959) 5.312 6.010 ( 1.046 -5.638 -1.072) 5.834 6.061 ( 1.465 -2.667 -1.407) 3.352 6.154 ( -0.264 -1.887 -1.934) 2.715 6.184 ( -0.612 -4.111 -6.202) 7.466 6.447 ( 7.374 -0.101 -1.104) 7.457 6.484 ( 5.453 -1.485 -4.662) 7.326 6.629 ( -1.829 0.499 3.088) 3.624 6.724 ( -3.109 -1.910 -6.013) 7.034 7.437 ( 2.267 6.647 20.611) 21.775 7.564 ( -2.362 5.009 22.420) 23.094 7.886 ( 2.267 2.557 -21.301) 21.574 7.969 ( 0.597 6.031 8.595) 10.517 8.017 ( -1.536 4.324 -1.460) 4.815 8.031 ( -1.608 3.832 -8.121) 9.122 8.133 ( 0.827 3.872 -6.042) 7.224 8.193 ( -1.188 4.307 -6.465) 7.858 9.017 ( 0.182 5.175 11.634) 12.734 9.024 ( -0.027 4.618 11.587) 12.473 9.031 ( -0.007 1.874 10.392) 10.560 9.082 ( -2.888 -0.824 8.853) 9.349 9.119 ( 0.841 0.372 1.812) 2.032 9.171 ( -0.985 -1.797 0.455) 2.099 9.324 ( 0.741 3.622 -15.379) 15.818 9.345 ( -0.094 4.252 -15.401) 15.978 9.525 ( 4.584 3.810 1.591) 6.170 9.630 ( -0.113 3.784 0.023) 3.786 9.698 ( 2.288 0.378 -9.835) 10.105 9.728 ( 0.861 1.521 -6.763) 6.985 10.021 ( 0.696 10.741 10.254) 14.866 10.053 ( -0.290 11.981 8.935) 14.949 10.246 ( 0.262 10.742 -10.566) 15.070 10.259 ( -0.139 11.635 -9.761) 15.188 10.797 ( 0.767 -3.492 1.277) 3.796 10.855 ( -1.298 -3.658 1.622) 4.207 10.881 ( 1.001 -1.752 -3.929) 4.417 10.937 ( -0.785 2.483 -2.727) 3.771 11.007 ( 0.086 2.790 -0.420) 2.823 11.011 ( -0.053 2.432 0.034) 2.433 11.050 ( 1.066 4.343 -7.341) 8.596 11.117 ( -1.365 3.785 -11.085) 11.793 11.681 ( 2.340 -6.426 7.275) 9.985 11.785 ( 1.693 -6.548 -1.619) 6.954 11.853 ( -2.744 -6.297 10.133) 12.242 11.940 ( 0.414 -2.741 14.621) 14.882 11.962 ( -1.286 -2.308 9.632) 9.988 11.988 ( -1.457 -2.292 1.072) 2.920 12.059 ( -0.495 4.330 2.841) 5.202 12.069 ( -0.843 2.949 2.808) 4.158 12.108 ( 0.281 1.917 3.966) 4.414 12.166 ( -2.825 -0.463 -5.300) 6.024 12.340 ( 0.709 -7.635 -16.530) 18.222 12.391 ( -0.956 -6.669 -15.387) 16.797 12.706 ( 0.472 -6.903 8.169) 10.705 12.742 ( -0.942 -4.710 9.027) 10.225 12.843 ( 0.870 -11.836 -3.396) 12.345 12.911 ( -1.685 -8.341 -6.542) 10.734 13.359 ( -0.093 -8.964 6.326) 10.972 13.442 ( -2.021 -9.503 0.716) 9.742 13.512 ( -3.120 -10.970 4.425) 12.233 13.534 ( -2.636 -9.637 2.865) 10.394 13.732 ( -0.711 -2.566 12.428) 12.710 13.774 ( -2.052 -5.189 10.462) 11.857 13.955 ( 1.224 -3.502 -5.459) 6.600 14.013 ( -1.273 -8.584 -5.956) 10.525 14.255 ( 2.076 -4.291 7.371) 8.778 14.338 ( -1.293 -3.980 7.404) 8.505 14.391 ( 1.941 0.926 2.857) 3.576 14.424 ( 0.527 0.946 1.325) 1.711 14.507 ( 1.994 2.419 -2.302) 3.889 14.585 ( -1.272 5.521 -5.841) 8.137 14.677 ( 0.842 1.914 -6.347) 6.682 14.704 ( 0.172 -2.878 -8.170) 8.664 15.862 ( 0.377 11.423 3.286) 11.892 15.889 ( -0.826 11.583 3.097) 12.019 15.943 ( 1.121 11.308 -1.817) 11.508 16.002 ( -1.302 14.014 -5.346) 15.056 16.078 ( 1.011 4.373 1.398) 4.702 16.117 ( 1.010 4.867 -2.515) 5.571 16.135 ( -1.051 5.965 2.165) 6.432 16.185 ( -1.604 7.085 -2.518) 7.689 16.666 ( 0.076 -2.419 2.173) 3.253 16.697 ( 0.562 -3.795 -0.724) 3.904 16.813 ( -6.473 -5.725 2.211) 8.920 16.846 ( -6.537 -5.422 -1.032) 8.556 17.083 ( 2.495 -1.094 3.685) 4.583 17.156 ( 0.438 -0.895 -1.937) 2.178 17.224 ( -1.725 -9.201 0.117) 9.362 17.248 ( -1.628 -6.017 -1.832) 6.497 17.648 ( 2.280 8.759 1.145) 9.123 17.680 ( 2.692 9.943 -1.603) 10.425 17.761 ( 2.591 8.857 2.703) 9.616 17.784 ( -0.891 8.684 0.517) 8.745 17.966 ( 5.469 10.079 0.834) 11.498 18.032 ( 9.617 2.055 -4.460) 10.798 18.363 ( -0.727 -0.642 8.997) 9.049 18.548 ( -5.748 -1.155 -6.937) 9.083 19.114 ( 3.981 -5.529 16.269) 17.638 19.267 ( -1.546 -2.578 2.553) 3.944 19.487 ( 2.966 -2.613 -0.477) 3.982 19.679 ( -4.140 -8.356 -13.217) 16.176 19.816 ( 2.731 -1.103 3.113) 4.286 19.939 ( -1.056 0.275 -4.042) 4.186 20.206 ( -5.244 -5.984 -2.214) 8.259 20.253 ( -5.124 -4.996 -6.097) 9.402 ======================= Grid point 97 (36/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.651 26.195 1.551) 26.249 1.233 ( 0.651 26.195 1.551) 26.249 1.799 ( -8.018 13.870 20.113) 25.714 1.799 ( 8.018 13.870 20.113) 25.714 2.181 ( -14.446 3.103 -11.507) 18.728 2.181 ( 14.446 3.103 -11.507) 18.728 2.285 ( -19.856 9.272 9.412) 23.850 2.285 ( 19.856 9.272 9.412) 23.850 2.451 ( -10.565 16.330 3.698) 19.798 2.451 ( 10.565 16.330 3.698) 19.798 2.762 ( -1.143 8.532 2.122) 8.866 2.762 ( 1.143 8.532 2.122) 8.866 2.869 ( -1.390 6.486 -5.031) 8.325 2.869 ( 1.390 6.486 -5.031) 8.325 3.017 ( -2.389 7.458 -0.625) 7.856 3.017 ( 2.389 7.458 -0.625) 7.856 3.096 ( -2.540 9.963 -6.473) 12.149 3.096 ( 2.540 9.963 -6.473) 12.149 3.207 ( -0.187 2.619 6.093) 6.635 3.207 ( 0.187 2.619 6.093) 6.635 3.483 ( -5.699 5.589 -2.935) 8.504 3.483 ( 5.699 5.589 -2.935) 8.504 3.711 ( -11.495 0.325 7.875) 13.938 3.711 ( 11.495 0.325 7.875) 13.938 3.948 ( -4.061 -1.638 -4.652) 6.389 3.948 ( 4.061 -1.638 -4.652) 6.389 4.091 ( -5.869 -0.172 -11.146) 12.598 4.091 ( 5.869 -0.172 -11.146) 12.598 4.188 ( -0.448 -5.548 -0.586) 5.597 4.188 ( 0.448 -5.548 -0.586) 5.597 4.481 ( -2.379 -2.132 -3.184) 4.511 4.481 ( 2.379 -2.132 -3.184) 4.511 4.643 ( -1.152 -1.071 4.966) 5.209 4.643 ( 1.152 -1.071 4.966) 5.209 4.706 ( -1.830 1.412 -1.464) 2.736 4.706 ( 1.830 1.412 -1.464) 2.736 4.840 ( -1.272 5.539 2.181) 6.087 4.840 ( 1.272 5.539 2.181) 6.087 5.039 ( -1.109 8.717 0.426) 8.798 5.039 ( 1.109 8.718 0.426) 8.798 5.257 ( -2.556 -3.961 6.854) 8.318 5.257 ( 2.556 -3.961 6.854) 8.318 5.388 ( -1.235 -1.306 -2.614) 3.173 5.388 ( 1.235 -1.306 -2.614) 3.173 5.517 ( -4.552 1.526 5.380) 7.211 5.517 ( 4.552 1.526 5.380) 7.211 5.691 ( -2.652 2.927 -6.526) 7.628 5.691 ( 2.652 2.927 -6.526) 7.628 5.824 ( -1.777 -3.926 1.299) 4.501 5.824 ( 1.777 -3.926 1.299) 4.501 5.958 ( -1.651 -0.381 0.426) 1.747 5.958 ( 1.651 -0.381 0.426) 1.747 6.059 ( -2.047 -7.015 -6.293) 9.644 6.059 ( 2.047 -7.015 -6.293) 9.644 6.173 ( -0.846 -2.722 -2.678) 3.911 6.173 ( 0.846 -2.722 -2.678) 3.911 6.556 ( -2.507 0.532 -1.231) 2.843 6.556 ( 2.507 0.532 -1.231) 2.843 6.633 ( -4.782 -2.274 -3.588) 6.396 6.633 ( 4.782 -2.274 -3.588) 6.396 7.500 ( -3.305 5.764 21.357) 22.367 7.500 ( 3.305 5.764 21.357) 22.367 7.949 ( -3.134 2.109 -17.809) 18.205 7.949 ( 3.134 2.109 -17.809) 18.205 8.000 ( -1.031 6.293 6.276) 8.947 8.000 ( 1.031 6.293 6.276) 8.947 8.161 ( -1.596 4.071 -5.794) 7.259 8.161 ( 1.596 4.071 -5.794) 7.259 9.022 ( -0.259 5.736 12.165) 13.452 9.022 ( 0.259 5.736 12.165) 13.452 9.038 ( -1.111 0.113 8.802) 8.873 9.038 ( 1.111 0.113 8.802) 8.873 9.144 ( -1.375 -0.996 0.445) 1.756 9.144 ( 1.375 -0.996 0.445) 1.756 9.338 ( -0.540 4.305 -15.911) 16.492 9.338 ( 0.540 4.305 -15.911) 16.492 9.608 ( -2.474 2.849 1.359) 4.010 9.608 ( 2.474 2.849 1.359) 4.010 9.734 ( -0.681 0.703 -7.609) 7.671 9.734 ( 0.681 0.703 -7.609) 7.671 10.040 ( -0.909 11.360 9.377) 14.758 10.040 ( 0.909 11.360 9.377) 14.758 10.253 ( -0.344 11.205 -10.079) 15.076 10.253 ( 0.344 11.205 -10.079) 15.076 10.822 ( -1.520 -3.696 1.906) 4.428 10.822 ( 1.520 -3.696 1.906) 4.428 10.910 ( -1.536 0.103 -4.329) 4.594 10.910 ( 1.536 0.103 -4.329) 4.594 11.010 ( -0.085 2.664 -0.174) 2.671 11.010 ( 0.085 2.664 -0.174) 2.671 11.081 ( -1.744 4.684 -8.695) 10.029 11.081 ( 1.744 4.684 -8.695) 10.029 11.750 ( -3.852 -6.398 8.279) 11.149 11.750 ( 3.852 -6.398 8.279) 11.149 11.885 ( -4.829 -6.272 -2.045) 8.176 11.885 ( 4.829 -6.272 -2.045) 8.176 11.958 ( -1.024 -2.768 13.700) 14.014 11.958 ( 1.024 -2.768 13.700) 14.014 12.055 ( -0.310 3.436 2.952) 4.540 12.055 ( 0.310 3.436 2.952) 4.540 12.122 ( -1.129 2.950 0.124) 3.161 12.122 ( 1.129 2.950 0.124) 3.161 12.365 ( -1.413 -6.747 -15.444) 16.912 12.365 ( 1.413 -6.747 -15.444) 16.912 12.721 ( -0.908 -6.163 8.457) 10.503 12.721 ( 0.908 -6.163 8.457) 10.503 12.871 ( -1.748 -10.284 -4.204) 11.247 12.871 ( 1.748 -10.284 -4.204) 11.247 13.376 ( -2.236 -8.825 7.540) 11.821 13.376 ( 2.236 -8.825 7.540) 11.821 13.497 ( -0.879 -10.473 1.220) 10.580 13.497 ( 0.879 -10.473 1.220) 10.580 13.740 ( -1.108 -2.124 10.205) 10.483 13.740 ( 1.108 -2.124 10.205) 10.483 13.983 ( -1.401 -5.065 -5.530) 7.629 13.983 ( 1.401 -5.065 -5.530) 7.629 14.302 ( -2.041 -4.053 7.992) 9.191 14.302 ( 2.041 -4.053 7.992) 9.191 14.421 ( -0.810 1.709 3.553) 4.025 14.421 ( 0.810 1.709 3.553) 4.025 14.551 ( -1.921 3.186 -5.644) 6.760 14.551 ( 1.921 3.186 -5.644) 6.760 14.697 ( -0.818 -0.597 -7.523) 7.591 14.697 ( 0.818 -0.597 -7.523) 7.591 15.873 ( -0.645 11.479 2.944) 11.868 15.873 ( 0.645 11.479 2.944) 11.868 15.970 ( -1.471 12.729 -2.936) 13.146 15.970 ( 1.471 12.729 -2.936) 13.146 16.106 ( -1.506 5.197 1.735) 5.683 16.106 ( 1.506 5.197 1.735) 5.683 16.148 ( -1.727 5.644 -2.222) 6.306 16.148 ( 1.727 5.644 -2.222) 6.306 16.687 ( -1.909 -4.384 1.857) 5.130 16.687 ( 1.909 -4.384 1.857) 5.130 16.752 ( -1.809 -2.068 -1.038) 2.937 16.752 ( 1.809 -2.068 -1.038) 2.937 17.135 ( -2.245 -0.906 1.882) 3.066 17.135 ( 2.245 -0.906 1.882) 3.066 17.215 ( -1.049 -7.757 -1.834) 8.039 17.215 ( 1.049 -7.757 -1.834) 8.039 17.701 ( -1.690 9.198 1.037) 9.409 17.701 ( 1.690 9.198 1.037) 9.409 17.770 ( -0.909 11.626 -0.537) 11.674 17.770 ( 0.909 11.626 -0.537) 11.674 18.108 ( -4.531 1.742 4.760) 6.799 18.108 ( 4.531 1.742 4.760) 6.799 18.407 ( -5.974 -1.858 -1.042) 6.342 18.407 ( 5.974 -1.858 -1.042) 6.342 19.208 ( -4.047 -3.334 8.056) 9.612 19.208 ( 4.047 -3.334 8.056) 9.612 19.575 ( -5.014 -5.730 -7.388) 10.609 19.575 ( 5.014 -5.730 -7.388) 10.609 19.888 ( -3.599 -0.582 2.378) 4.352 19.888 ( 3.599 -0.582 2.378) 4.352 20.162 ( -1.900 -5.283 -8.533) 10.214 20.162 ( 1.900 -5.283 -8.533) 10.214 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 12.785 16.576) 20.934 1.483 ( 0.000 11.688 0.445) 11.696 1.838 ( 0.000 26.101 0.135) 26.101 1.906 ( 0.000 24.892 -5.626) 25.520 2.110 ( 0.000 11.327 4.259) 12.101 2.348 ( 0.000 5.078 -13.761) 14.668 2.501 ( 0.000 17.776 11.862) 21.371 2.726 ( 0.000 11.462 -3.513) 11.988 2.784 ( 0.000 3.851 7.995) 8.874 2.874 ( 0.000 1.844 -4.277) 4.658 3.033 ( 0.000 8.358 4.183) 9.347 3.078 ( 0.000 3.792 0.083) 3.793 3.083 ( 0.000 3.934 5.828) 7.032 3.172 ( 0.000 1.976 -0.734) 2.108 3.187 ( 0.000 7.175 8.019) 10.760 3.262 ( 0.000 9.409 -7.047) 11.755 3.271 ( 0.000 25.815 12.552) 28.705 3.404 ( 0.000 10.935 -0.855) 10.968 3.423 ( 0.000 4.532 1.115) 4.667 3.505 ( 0.000 9.565 -7.814) 12.351 3.575 ( 0.000 5.955 4.353) 7.377 3.670 ( 0.000 21.447 11.819) 24.488 3.806 ( 0.000 -0.591 3.376) 3.427 3.828 ( 0.000 15.437 -8.718) 17.729 3.903 ( 0.000 -0.625 -12.109) 12.125 3.923 ( 0.000 0.958 -5.348) 5.433 3.926 ( 0.000 0.221 -8.156) 8.159 3.978 ( 0.000 10.551 -9.838) 14.426 4.061 ( 0.000 -4.359 -2.386) 4.969 4.069 ( 0.000 -3.368 -7.554) 8.271 4.427 ( 0.000 -10.566 0.783) 10.595 4.452 ( 0.000 -8.029 -0.476) 8.043 4.670 ( 0.000 -3.666 1.684) 4.035 4.700 ( 0.000 -5.342 0.341) 5.353 4.791 ( 0.000 1.293 6.882) 7.002 4.817 ( 0.000 2.004 5.168) 5.543 4.914 ( 0.000 1.495 -3.801) 4.085 4.940 ( 0.000 0.280 -4.878) 4.886 5.098 ( 0.000 -4.031 4.160) 5.793 5.149 ( 0.000 1.146 1.879) 2.201 5.185 ( 0.000 8.052 2.731) 8.502 5.206 ( 0.000 1.151 -2.111) 2.404 5.363 ( 0.000 -0.931 -1.095) 1.437 5.383 ( 0.000 0.957 -2.018) 2.233 5.555 ( 0.000 -0.965 4.107) 4.218 5.604 ( 0.000 -4.719 0.017) 4.719 5.688 ( 0.000 -0.200 3.715) 3.720 5.735 ( 0.000 0.889 0.492) 1.016 5.763 ( 0.000 -0.228 3.004) 3.012 5.801 ( 0.000 0.468 -1.964) 2.019 5.812 ( 0.000 6.289 2.897) 6.924 5.890 ( 0.000 0.580 -5.765) 5.794 5.955 ( 0.000 -3.183 4.566) 5.566 6.028 ( 0.000 -2.755 3.453) 4.418 6.065 ( 0.000 -4.544 -5.467) 7.109 6.139 ( 0.000 -3.337 -6.148) 6.995 6.316 ( 0.000 -0.275 2.917) 2.930 6.377 ( 0.000 -1.561 -3.126) 3.494 6.667 ( 0.000 0.390 2.085) 2.121 6.718 ( 0.000 -1.643 -3.007) 3.427 7.620 ( 0.000 11.854 15.231) 19.300 7.759 ( 0.000 10.999 17.423) 20.605 7.953 ( 0.000 5.188 -15.567) 16.409 8.116 ( 0.000 8.503 5.140) 9.936 8.119 ( 0.000 5.339 -15.857) 16.732 8.205 ( 0.000 4.522 -4.494) 6.375 8.214 ( 0.000 9.795 6.149) 11.565 8.315 ( 0.000 5.183 -3.933) 6.506 9.033 ( 0.000 -0.102 5.898) 5.899 9.053 ( 0.000 -0.885 2.405) 2.563 9.086 ( 0.000 -2.222 7.548) 7.868 9.126 ( 0.000 -1.293 2.583) 2.889 9.207 ( 0.000 8.627 7.110) 11.179 9.244 ( 0.000 9.591 8.308) 12.689 9.373 ( 0.000 3.501 -8.370) 9.073 9.447 ( 0.000 5.126 -10.266) 11.475 9.664 ( 0.000 12.428 -3.310) 12.862 9.730 ( 0.000 6.517 -6.664) 9.321 9.786 ( 0.000 10.805 -1.821) 10.958 9.802 ( 0.000 6.751 -2.207) 7.103 10.235 ( 0.000 9.501 12.313) 15.552 10.281 ( 0.000 8.780 11.968) 14.843 10.495 ( 0.000 11.707 -10.518) 15.738 10.527 ( 0.000 12.243 -9.267) 15.355 10.703 ( 0.000 -4.558 0.739) 4.617 10.771 ( 0.000 -6.143 4.440) 7.579 10.807 ( 0.000 -3.444 -9.768) 10.357 10.947 ( 0.000 -3.728 -12.603) 13.143 11.034 ( 0.000 -0.857 5.706) 5.770 11.047 ( 0.000 0.081 5.487) 5.488 11.174 ( 0.000 8.715 -6.677) 10.979 11.243 ( 0.000 4.654 -12.946) 13.757 11.516 ( 0.000 -6.298 2.309) 6.708 11.605 ( 0.000 -8.373 -4.777) 9.640 11.711 ( 0.000 -10.566 9.877) 14.464 11.868 ( 0.000 -3.704 7.863) 8.692 11.912 ( 0.000 -2.587 7.718) 8.140 11.924 ( 0.000 -7.607 -6.177) 9.799 11.985 ( 0.000 -12.520 -5.214) 13.562 12.043 ( 0.000 -11.695 -6.221) 13.247 12.165 ( 0.000 4.139 4.649) 6.224 12.175 ( 0.000 4.572 3.694) 5.878 12.262 ( 0.000 1.172 -4.837) 4.977 12.308 ( 0.000 -1.704 -6.781) 6.992 12.546 ( 0.000 -6.006 4.471) 7.487 12.586 ( 0.000 -9.082 2.170) 9.337 12.646 ( 0.000 -5.089 5.864) 7.764 12.746 ( 0.000 -8.623 -2.880) 9.092 13.128 ( 0.000 -10.834 -1.159) 10.896 13.139 ( 0.000 -16.559 -0.138) 16.560 13.214 ( 0.000 -16.993 4.960) 17.702 13.245 ( 0.000 -18.956 2.637) 19.139 13.703 ( 0.000 0.271 11.931) 11.934 13.857 ( 0.000 3.751 7.802) 8.657 13.885 ( 0.000 -2.021 -4.329) 4.777 13.966 ( 0.000 3.015 -1.755) 3.489 14.167 ( 0.000 -1.886 3.299) 3.800 14.232 ( 0.000 -6.354 8.969) 10.992 14.235 ( 0.000 -7.156 -5.194) 8.842 14.429 ( 0.000 -4.030 -7.630) 8.629 14.556 ( 0.000 2.879 5.508) 6.215 14.609 ( 0.000 -0.861 2.552) 2.693 14.691 ( 0.000 1.271 -6.895) 7.011 14.723 ( 0.000 2.185 -6.526) 6.883 16.102 ( 0.000 7.148 2.376) 7.532 16.132 ( 0.000 5.783 -0.490) 5.804 16.155 ( 0.000 10.552 4.638) 11.526 16.185 ( 0.000 8.795 2.738) 9.211 16.243 ( 0.000 7.421 -3.539) 8.222 16.285 ( 0.000 9.239 -6.729) 11.430 16.295 ( 0.000 7.722 3.646) 8.540 16.381 ( 0.000 9.082 -4.545) 10.156 16.591 ( 0.000 -3.818 0.459) 3.845 16.600 ( 0.000 -4.447 -0.228) 4.453 16.749 ( 0.000 -2.959 3.173) 4.339 16.799 ( 0.000 -3.088 -1.251) 3.332 17.054 ( 0.000 -1.329 1.785) 2.226 17.082 ( 0.000 -2.419 -1.330) 2.761 17.161 ( 0.000 1.552 4.674) 4.925 17.251 ( 0.000 1.106 -2.510) 2.743 17.703 ( 0.000 1.607 -1.329) 2.085 17.720 ( 0.000 -0.271 -2.568) 2.583 17.897 ( 0.000 7.614 -0.674) 7.644 17.899 ( 0.000 8.683 -0.651) 8.707 18.108 ( 0.000 7.533 3.240) 8.200 18.226 ( 0.000 8.986 -7.319) 11.589 18.412 ( 0.000 5.322 12.074) 13.195 18.651 ( 0.000 5.094 -10.491) 11.662 18.861 ( 0.000 -10.956 18.128) 21.181 19.172 ( 0.000 -9.799 -5.957) 11.468 19.424 ( 0.000 -2.111 -2.549) 3.309 19.436 ( 0.000 -13.635 -8.219) 15.920 19.824 ( 0.000 2.555 6.550) 7.031 19.952 ( 0.000 0.276 -5.515) 5.521 20.160 ( 0.000 -4.858 2.244) 5.351 20.200 ( 0.000 -5.370 -2.188) 5.799 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 17.585 13.485 6.474) 23.086 1.630 ( 15.989 10.045 4.615) 19.438 1.849 ( 2.594 24.736 2.882) 25.038 1.941 ( 3.726 21.093 -1.111) 21.448 2.176 ( 6.485 10.331 2.422) 12.436 2.324 ( -5.212 9.894 2.674) 11.498 2.443 ( -1.960 9.964 -2.094) 10.368 2.628 ( -6.244 9.349 -3.499) 11.775 2.820 ( -5.189 0.401 -0.950) 5.291 2.848 ( -0.826 0.925 -3.014) 3.259 3.021 ( -2.465 12.062 3.439) 12.782 3.057 ( -1.358 10.509 9.863) 14.476 3.081 ( -1.604 8.750 -2.271) 9.181 3.151 ( -1.310 5.057 2.594) 5.833 3.159 ( -1.933 5.754 6.643) 8.998 3.218 ( -2.216 11.551 0.745) 11.785 3.288 ( -0.569 11.098 -0.295) 11.116 3.323 ( -3.303 12.986 -2.014) 13.550 3.362 ( -1.749 11.939 -1.037) 12.111 3.456 ( -4.704 12.038 -1.202) 12.980 3.600 ( 0.999 2.242 4.431) 5.066 3.631 ( 0.241 9.100 -0.577) 9.122 3.701 ( -2.156 13.121 -2.327) 13.499 3.865 ( 1.662 -0.043 0.401) 1.711 3.902 ( 2.951 7.093 -8.707) 11.612 3.909 ( -3.990 -0.933 -6.776) 7.919 4.011 ( 2.614 -0.553 3.191) 4.162 4.060 ( 0.360 -3.651 -1.017) 3.807 4.120 ( 5.189 3.056 -9.032) 10.855 4.142 ( 6.623 4.756 -7.972) 11.403 4.384 ( -2.794 -6.243 2.106) 7.157 4.445 ( -0.148 -4.240 -2.385) 4.867 4.654 ( -1.919 -1.379 1.739) 2.934 4.685 ( -0.665 -3.671 -0.698) 3.796 4.732 ( -4.040 2.596 5.773) 7.509 4.845 ( -5.610 2.159 -2.299) 6.436 4.859 ( 1.544 0.978 1.122) 2.145 4.922 ( 0.415 1.032 -2.280) 2.537 5.061 ( -0.228 -6.273 2.178) 6.644 5.111 ( -1.000 -5.666 -0.953) 5.832 5.215 ( 3.120 6.841 4.505) 8.766 5.277 ( 1.337 8.533 -0.968) 8.691 5.366 ( 1.444 1.607 1.992) 2.939 5.445 ( 1.851 2.199 -3.952) 4.887 5.516 ( -1.016 -0.961 6.134) 6.292 5.616 ( 1.082 -5.221 -1.767) 5.617 5.685 ( -4.415 1.707 3.955) 6.168 5.723 ( 1.907 -1.427 2.657) 3.569 5.769 ( -1.746 1.568 -0.447) 2.389 5.798 ( 0.690 -2.076 3.733) 4.327 5.835 ( -1.210 -0.520 -4.814) 4.991 5.873 ( 2.693 -3.127 -3.397) 5.345 5.968 ( 0.661 0.772 3.160) 3.320 6.039 ( -0.295 -0.135 -0.699) 0.770 6.063 ( 0.576 -6.166 -2.812) 6.801 6.086 ( -1.449 -4.372 -1.855) 4.965 6.434 ( 7.524 -0.931 -0.505) 7.598 6.447 ( 5.471 -1.579 -1.776) 5.965 6.637 ( -2.724 0.157 1.752) 3.243 6.684 ( -3.161 -1.618 -2.866) 4.563 7.639 ( 1.714 11.767 15.494) 19.531 7.737 ( -1.906 11.130 17.043) 20.444 7.976 ( 2.048 5.395 -15.701) 16.728 8.089 ( -2.095 5.665 -13.292) 14.600 8.134 ( 1.061 8.311 2.262) 8.678 8.199 ( -1.234 9.277 4.661) 10.455 8.217 ( 1.119 4.701 -2.732) 5.551 8.296 ( -1.644 4.942 -3.642) 6.355 9.027 ( -0.200 -0.219 6.062) 6.069 9.058 ( -1.327 -1.084 6.536) 6.757 9.067 ( 0.501 -1.119 2.484) 2.771 9.112 ( -1.119 -1.244 1.806) 2.462 9.216 ( 0.609 8.798 7.461) 11.551 9.238 ( -0.383 9.599 8.130) 12.585 9.402 ( 1.942 3.699 -9.246) 10.146 9.446 ( -0.160 4.952 -10.423) 11.540 9.689 ( 2.328 11.579 -1.805) 11.948 9.759 ( 2.096 6.187 -5.744) 8.699 9.778 ( -0.733 10.274 -1.158) 10.365 9.808 ( 0.222 6.765 -2.795) 7.323 10.242 ( 0.607 9.277 12.164) 15.309 10.275 ( -0.531 8.711 11.878) 14.739 10.500 ( 0.432 11.778 -10.334) 15.675 10.523 ( -0.375 12.151 -9.454) 15.400 10.707 ( 0.459 -4.862 1.279) 5.048 10.754 ( -1.316 -5.945 3.481) 7.014 10.827 ( 1.705 -3.449 -9.816) 10.544 10.925 ( -1.941 -3.611 -12.248) 12.916 11.037 ( 0.208 -0.713 5.739) 5.787 11.046 ( -0.144 -0.094 5.578) 5.581 11.192 ( 1.462 8.183 -7.920) 11.482 11.239 ( -0.350 5.128 -12.388) 13.412 11.538 ( 2.006 -6.621 2.770) 7.452 11.625 ( 1.755 -8.539 -3.310) 9.325 11.681 ( -2.297 -9.626 7.224) 12.253 11.855 ( -4.181 -7.110 -1.438) 8.373 11.878 ( -1.165 -5.256 2.252) 5.835 11.901 ( -0.896 -3.159 7.710) 8.380 11.991 ( 0.675 -10.995 -4.106) 11.756 12.029 ( -0.924 -10.952 -4.679) 11.946 12.169 ( 0.303 4.034 4.102) 5.761 12.176 ( 0.058 4.030 3.695) 5.468 12.271 ( 0.715 0.695 -5.024) 5.122 12.302 ( -0.492 -1.469 -6.405) 6.590 12.546 ( 0.127 -6.678 4.805) 8.228 12.578 ( -0.824 -8.478 3.046) 9.047 12.652 ( 0.714 -5.282 4.515) 6.985 12.721 ( -1.981 -7.839 -0.865) 8.131 13.124 ( -0.321 -11.124 -0.130) 11.129 13.139 ( -0.410 -16.124 0.699) 16.144 13.184 ( -1.293 -14.873 3.173) 15.263 13.220 ( -1.856 -18.023 1.438) 18.175 13.720 ( 1.414 1.002 10.209) 10.356 13.801 ( -2.458 2.261 4.375) 5.504 13.948 ( 2.743 0.808 0.606) 2.923 13.979 ( 0.646 2.926 -0.348) 3.017 14.160 ( 0.240 -3.809 4.953) 6.253 14.216 ( -1.229 -6.532 7.675) 10.153 14.294 ( 4.065 -7.199 -6.434) 10.476 14.417 ( -1.203 -4.958 -7.978) 9.470 14.564 ( 0.684 2.790 5.111) 5.863 14.598 ( -0.790 0.447 2.787) 2.931 14.705 ( 0.944 0.987 -6.486) 6.628 14.723 ( -0.030 1.904 -6.390) 6.668 16.106 ( 0.429 7.613 2.475) 8.017 16.140 ( 0.280 7.965 0.212) 7.973 16.149 ( -0.099 7.249 3.081) 7.877 16.205 ( 1.589 8.444 2.220) 8.874 16.232 ( -1.744 5.083 -2.243) 5.823 16.278 ( 0.540 9.495 -1.275) 9.596 16.297 ( -0.199 10.054 -1.603) 10.183 16.360 ( -1.569 10.358 -4.232) 11.298 16.596 ( 0.477 -2.574 0.819) 2.743 16.603 ( 0.461 -3.661 -0.038) 3.690 16.711 ( -2.456 -2.095 2.304) 3.966 16.752 ( -3.348 -2.131 -1.300) 4.176 17.061 ( 0.612 -1.192 2.146) 2.529 17.095 ( -0.013 -2.690 -0.839) 2.818 17.164 ( 0.543 1.977 2.779) 3.453 17.224 ( -1.942 1.208 -1.952) 3.007 17.738 ( 4.294 0.239 3.083) 5.292 17.824 ( 5.497 2.408 -4.591) 7.556 17.880 ( 1.159 5.557 4.585) 7.297 17.976 ( 3.512 7.844 -3.929) 9.450 18.131 ( 2.858 6.496 1.422) 7.238 18.210 ( -0.979 8.530 -5.520) 10.207 18.372 ( -3.380 2.393 8.662) 9.601 18.525 ( -8.531 -0.206 -3.868) 9.369 18.978 ( 7.715 -5.640 10.201) 13.978 19.175 ( -0.238 -6.899 -1.960) 7.176 19.412 ( -0.825 -8.145 -5.632) 9.936 19.430 ( -0.627 -8.583 -6.927) 11.047 19.835 ( 1.329 2.044 6.321) 6.775 19.948 ( -0.691 0.508 -3.322) 3.431 20.090 ( -4.870 -4.311 1.111) 6.598 20.145 ( -4.402 -4.689 -3.620) 7.380 ======================= Grid point 102 (39/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -3.252 22.714 2.121) 23.044 1.764 ( 3.252 22.714 2.121) 23.044 2.077 ( -7.783 11.344 6.334) 15.145 2.077 ( 7.783 11.344 6.334) 15.145 2.283 ( -16.906 7.279 3.531) 18.742 2.283 ( 16.906 7.279 3.531) 18.742 2.417 ( -12.858 6.063 2.810) 14.491 2.417 ( 12.858 6.063 2.810) 14.491 2.724 ( -6.174 3.359 -13.837) 15.520 2.724 ( 6.174 3.359 -13.837) 15.520 3.021 ( -2.727 15.531 2.702) 15.998 3.021 ( 2.727 15.531 2.702) 15.998 3.095 ( -2.928 6.271 3.297) 7.666 3.095 ( 2.928 6.271 3.297) 7.666 3.178 ( -2.675 9.733 3.847) 10.802 3.178 ( 2.675 9.733 3.847) 10.802 3.276 ( -1.923 7.686 -2.416) 8.283 3.276 ( 1.923 7.685 -2.416) 8.283 3.388 ( -2.462 14.483 1.903) 14.813 3.388 ( 2.462 14.483 1.903) 14.813 3.627 ( -1.026 5.211 -4.466) 6.939 3.627 ( 1.026 5.211 -4.466) 6.939 3.766 ( -7.498 3.827 5.493) 10.052 3.766 ( 7.498 3.827 5.493) 10.052 3.920 ( -1.778 0.367 -4.684) 5.023 3.920 ( 1.778 0.367 -4.684) 5.023 4.040 ( -1.293 -0.094 3.823) 4.037 4.040 ( 1.293 -0.094 3.823) 4.037 4.204 ( -1.423 6.230 -8.799) 10.875 4.204 ( 1.423 6.230 -8.799) 10.875 4.398 ( -3.573 -3.218 -3.923) 6.206 4.398 ( 3.573 -3.218 -3.923) 6.206 4.648 ( -2.270 0.789 3.675) 4.391 4.648 ( 2.270 0.789 3.675) 4.391 4.723 ( -3.787 0.293 -2.721) 4.673 4.723 ( 3.787 0.293 -2.721) 4.673 4.913 ( -1.563 0.744 1.161) 2.084 4.913 ( 1.563 0.744 1.161) 2.084 5.089 ( -1.711 -7.489 0.247) 7.686 5.089 ( 1.711 -7.489 0.247) 7.686 5.269 ( -1.716 8.267 2.361) 8.767 5.269 ( 1.716 8.267 2.361) 8.767 5.414 ( -2.824 3.972 0.182) 4.877 5.414 ( 2.824 3.972 0.182) 4.877 5.573 ( -4.691 0.688 5.541) 7.293 5.573 ( 4.691 0.688 5.541) 7.293 5.683 ( -4.363 -3.897 -3.367) 6.750 5.683 ( 4.363 -3.897 -3.367) 6.750 5.759 ( -1.852 -2.279 0.257) 2.948 5.759 ( 1.852 -2.279 0.257) 2.948 5.887 ( -1.760 -2.891 -0.698) 3.456 5.887 ( 1.760 -2.891 -0.698) 3.456 5.999 ( -2.362 0.715 -0.825) 2.602 5.999 ( 2.362 0.715 -0.825) 2.602 6.082 ( -0.282 -5.557 -1.079) 5.668 6.082 ( 0.282 -5.557 -1.079) 5.668 6.556 ( -4.545 -0.421 0.252) 4.571 6.556 ( 4.545 -0.421 0.252) 4.571 6.586 ( -5.828 -1.754 -2.069) 6.428 6.586 ( 5.828 -1.754 -2.069) 6.428 7.687 ( -2.565 11.467 16.210) 20.021 7.687 ( 2.565 11.467 16.210) 20.021 8.032 ( -2.978 5.552 -15.564) 16.791 8.032 ( 2.978 5.552 -15.564) 16.791 8.165 ( -1.710 8.919 4.567) 10.165 8.165 ( 1.710 8.919 4.567) 10.165 8.254 ( -2.109 4.553 -3.163) 5.932 8.254 ( 2.109 4.553 -3.163) 5.932 9.032 ( -0.732 -0.450 6.458) 6.515 9.032 ( 0.732 -0.450 6.458) 6.515 9.087 ( -1.125 -1.167 1.370) 2.123 9.087 ( 1.125 -1.167 1.370) 2.123 9.228 ( -0.549 9.371 7.931) 12.289 9.228 ( 0.549 9.371 7.931) 12.289 9.435 ( -1.014 4.518 -10.395) 11.379 9.435 ( 1.014 4.518 -10.395) 11.379 9.745 ( -2.308 10.259 -0.715) 10.539 9.745 ( 2.308 10.259 -0.715) 10.539 9.799 ( -1.209 6.245 -3.937) 7.481 9.799 ( 1.209 6.245 -3.937) 7.481 10.259 ( -0.905 8.838 11.884) 14.838 10.259 ( 0.905 8.838 11.884) 14.838 10.512 ( -0.632 11.953 -9.896) 15.531 10.512 ( 0.632 11.953 -9.896) 15.531 10.725 ( -1.215 -5.488 2.511) 6.156 10.725 ( 1.215 -5.488 2.511) 6.156 10.874 ( -2.532 -3.455 -11.204) 11.995 10.874 ( 2.532 -3.455 -11.204) 11.995 11.042 ( -0.228 -0.417 5.745) 5.765 11.042 ( 0.228 -0.417 5.745) 5.765 11.223 ( -1.229 6.640 -10.663) 12.621 11.223 ( 1.229 6.640 -10.663) 12.621 11.597 ( -3.308 -7.753 4.801) 9.700 11.597 ( 3.308 -7.753 4.801) 9.700 11.724 ( -5.810 -8.781 -4.522) 11.459 11.724 ( 5.810 -8.781 -4.522) 11.459 11.883 ( -0.665 -3.638 7.446) 8.314 11.883 ( 0.665 -3.638 7.446) 8.314 12.009 ( -0.939 -10.497 -3.864) 11.225 12.009 ( 0.939 -10.497 -3.864) 11.225 12.175 ( -0.191 3.881 3.790) 5.427 12.175 ( 0.191 3.881 3.790) 5.427 12.288 ( -0.804 -0.497 -5.630) 5.709 12.288 ( 0.804 -0.497 -5.630) 5.709 12.557 ( -0.907 -7.607 4.660) 8.967 12.557 ( 0.907 -7.607 4.660) 8.967 12.679 ( -1.722 -6.215 1.952) 6.738 12.679 ( 1.722 -6.215 1.952) 6.738 13.123 ( -0.477 -12.660 1.361) 12.742 13.123 ( 0.477 -12.660 1.361) 12.742 13.187 ( -1.072 -16.203 0.558) 16.248 13.187 ( 1.072 -16.203 0.558) 16.248 13.756 ( -1.917 2.059 7.054) 7.594 13.756 ( 1.917 2.059 7.054) 7.594 13.981 ( -0.545 2.456 0.615) 2.590 13.981 ( 0.545 2.456 0.615) 2.590 14.183 ( -1.623 -5.981 7.005) 9.353 14.183 ( 1.623 -5.981 7.005) 9.353 14.373 ( -2.984 -6.640 -8.162) 10.936 14.373 ( 2.984 -6.640 -8.162) 10.936 14.581 ( -0.806 2.087 3.973) 4.559 14.581 ( 0.806 2.087 3.973) 4.559 14.720 ( -0.404 1.293 -6.283) 6.427 14.720 ( 0.404 1.293 -6.283) 6.427 16.123 ( -1.069 8.868 2.873) 9.383 16.123 ( 1.069 8.868 2.873) 9.383 16.178 ( -2.175 4.322 -1.348) 5.023 16.178 ( 2.175 4.322 -1.348) 5.023 16.254 ( -2.094 8.505 2.192) 9.029 16.254 ( 2.094 8.505 2.192) 9.029 16.324 ( -1.850 11.704 -4.108) 12.541 16.324 ( 1.850 11.704 -4.108) 12.541 16.608 ( -0.425 -1.197 1.101) 1.681 16.608 ( 0.425 -1.197 1.101) 1.681 16.693 ( -1.411 -2.601 -0.378) 2.983 16.693 ( 1.411 -2.601 -0.378) 2.983 17.078 ( -1.026 -1.575 1.463) 2.382 17.078 ( 1.026 -1.575 1.463) 2.382 17.186 ( -1.458 1.514 -0.688) 2.212 17.186 ( 1.458 1.514 -0.688) 2.212 17.830 ( -3.018 1.583 3.856) 5.146 17.830 ( 3.018 1.583 3.856) 5.146 17.973 ( -3.974 7.398 -0.887) 8.445 17.973 ( 3.974 7.398 -0.887) 8.445 18.204 ( -0.946 6.806 -1.008) 6.945 18.204 ( 0.946 6.806 -1.008) 6.945 18.355 ( -5.300 -2.622 -0.983) 5.994 18.355 ( 5.300 -2.622 -0.983) 5.994 19.124 ( -5.080 -3.878 5.487) 8.423 19.124 ( 5.080 -3.878 5.487) 8.423 19.410 ( -0.856 -8.870 -7.710) 11.784 19.410 ( 0.856 -8.870 -7.710) 11.784 19.892 ( -3.838 0.988 4.644) 6.106 19.892 ( 3.838 0.988 4.644) 6.106 20.059 ( -2.463 -3.906 -4.840) 6.689 20.059 ( 2.463 -3.906 -4.840) 6.689 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 15.498 9.197) 18.021 1.750 ( 0.000 12.799 -5.909) 14.097 2.201 ( 0.000 -3.333 4.642) 5.715 2.317 ( 0.000 13.172 0.991) 13.209 2.351 ( 0.000 1.397 -7.710) 7.835 2.383 ( 0.000 20.281 -4.208) 20.712 2.795 ( 0.000 12.130 5.079) 13.150 2.852 ( 0.000 3.785 6.471) 7.497 2.919 ( 0.000 7.964 0.785) 8.003 2.973 ( 0.000 4.942 -8.704) 10.009 3.115 ( 0.000 2.922 7.937) 8.458 3.141 ( 0.000 0.456 3.592) 3.620 3.178 ( 0.000 -0.082 0.506) 0.512 3.222 ( 0.000 1.486 5.199) 5.408 3.251 ( 0.000 5.058 -7.340) 8.914 3.325 ( 0.000 0.596 -7.239) 7.263 3.378 ( 0.000 -8.061 4.870) 9.418 3.502 ( 0.000 -7.849 -3.300) 8.514 3.630 ( 0.000 12.508 0.688) 12.527 3.679 ( 0.000 0.133 -3.590) 3.593 3.697 ( 0.000 -2.995 -1.247) 3.244 3.754 ( 0.000 2.089 -1.036) 2.332 3.871 ( 0.000 1.338 -4.825) 5.007 3.948 ( 0.000 5.752 -3.401) 6.682 3.980 ( 0.000 11.727 0.371) 11.733 3.996 ( 0.000 -0.081 -4.387) 4.388 4.075 ( 0.000 1.214 -0.429) 1.287 4.154 ( 0.000 -0.535 -4.206) 4.240 4.155 ( 0.000 16.301 7.495) 17.942 4.295 ( 0.000 6.573 7.003) 9.604 4.337 ( 0.000 16.928 -7.746) 18.616 4.441 ( 0.000 7.296 -6.299) 9.639 4.570 ( 0.000 -4.979 -1.075) 5.094 4.573 ( 0.000 -5.792 -0.450) 5.809 4.787 ( 0.000 0.313 3.688) 3.701 4.845 ( 0.000 0.389 -0.203) 0.439 4.920 ( 0.000 -0.051 -0.692) 0.694 4.926 ( 0.000 0.041 -2.245) 2.246 5.020 ( 0.000 -3.169 1.789) 3.639 5.044 ( 0.000 -6.020 -1.900) 6.313 5.295 ( 0.000 0.407 4.436) 4.454 5.299 ( 0.000 1.684 5.051) 5.324 5.363 ( 0.000 1.890 0.281) 1.911 5.423 ( 0.000 3.354 -5.317) 6.286 5.505 ( 0.000 -0.325 3.513) 3.528 5.510 ( 0.000 -3.686 2.609) 4.516 5.685 ( 0.000 -1.651 3.184) 3.587 5.727 ( 0.000 -2.257 -0.721) 2.369 5.795 ( 0.000 0.093 1.537) 1.540 5.814 ( 0.000 -9.077 0.570) 9.095 5.822 ( 0.000 -4.354 0.587) 4.394 5.831 ( 0.000 1.787 -0.523) 1.862 5.966 ( 0.000 5.319 2.370) 5.824 5.984 ( 0.000 3.608 -0.515) 3.645 6.066 ( 0.000 0.681 0.647) 0.939 6.096 ( 0.000 -0.986 -1.847) 2.094 6.318 ( 0.000 0.502 1.326) 1.418 6.351 ( 0.000 -0.942 -1.884) 2.107 6.673 ( 0.000 0.317 1.894) 1.920 6.694 ( 0.000 -0.746 -0.282) 0.798 7.849 ( 0.000 8.981 9.954) 13.407 8.007 ( 0.000 11.539 11.156) 16.050 8.021 ( 0.000 0.563 -5.322) 5.352 8.224 ( 0.000 2.834 -8.786) 9.232 8.310 ( 0.000 9.308 0.776) 9.340 8.344 ( 0.000 8.040 -3.574) 8.799 8.408 ( 0.000 7.988 1.281) 8.090 8.415 ( 0.000 4.844 -0.601) 4.881 9.014 ( 0.000 -1.712 3.862) 4.224 9.017 ( 0.000 -2.265 1.907) 2.960 9.040 ( 0.000 -2.206 3.603) 4.225 9.069 ( 0.000 -3.492 0.557) 3.536 9.380 ( 0.000 6.622 1.207) 6.731 9.438 ( 0.000 8.039 4.033) 8.994 9.445 ( 0.000 2.833 -6.085) 6.712 9.538 ( 0.000 3.108 -5.252) 6.103 9.947 ( 0.000 13.085 1.162) 13.136 9.962 ( 0.000 14.886 -0.457) 14.893 10.002 ( 0.000 11.808 3.786) 12.400 10.055 ( 0.000 13.746 -1.253) 13.803 10.397 ( 0.000 5.778 13.439) 14.629 10.428 ( 0.000 5.493 14.276) 15.296 10.539 ( 0.000 -6.740 3.765) 7.720 10.583 ( 0.000 -7.769 4.448) 8.953 10.729 ( 0.000 -3.191 -10.328) 10.810 10.764 ( 0.000 9.560 -11.757) 15.153 10.781 ( 0.000 8.058 -10.723) 13.413 10.832 ( 0.000 -6.211 -13.462) 14.826 10.966 ( 0.000 -4.693 6.418) 7.951 10.979 ( 0.000 -5.898 9.129) 10.869 11.220 ( 0.000 -6.474 -14.279) 15.678 11.260 ( 0.000 -4.877 -15.392) 16.146 11.399 ( 0.000 -5.071 -3.764) 6.315 11.437 ( 0.000 -7.105 -5.569) 9.027 11.488 ( 0.000 -9.723 1.184) 9.795 11.617 ( 0.000 -15.664 -8.586) 17.863 11.792 ( 0.000 -4.552 0.773) 4.617 11.798 ( 0.000 -1.960 0.800) 2.117 11.894 ( 0.000 0.268 2.851) 2.864 11.941 ( 0.000 0.666 -2.478) 2.566 12.207 ( 0.000 -0.348 2.677) 2.699 12.220 ( 0.000 -5.245 2.186) 5.683 12.227 ( 0.000 -3.961 2.075) 4.472 12.234 ( 0.000 0.669 1.851) 1.969 12.509 ( 0.000 2.272 3.272) 3.984 12.526 ( 0.000 2.290 2.552) 3.429 12.613 ( 0.000 1.881 3.741) 4.187 12.631 ( 0.000 -3.205 2.834) 4.278 12.858 ( 0.000 -8.634 4.238) 9.618 12.893 ( 0.000 -12.686 3.697) 13.214 12.941 ( 0.000 -7.905 -3.308) 8.569 12.956 ( 0.000 -7.873 -3.732) 8.713 13.702 ( 0.000 0.329 6.589) 6.597 13.841 ( 0.000 -3.570 -4.713) 5.913 13.920 ( 0.000 2.988 7.760) 8.316 14.026 ( 0.000 2.092 -1.128) 2.377 14.113 ( 0.000 -3.821 2.867) 4.777 14.116 ( 0.000 -4.106 4.003) 5.734 14.156 ( 0.000 0.220 3.963) 3.969 14.265 ( 0.000 -8.849 -6.764) 11.138 14.618 ( 0.000 2.952 2.874) 4.121 14.652 ( 0.000 3.326 2.443) 4.127 14.694 ( 0.000 -0.542 -4.319) 4.353 14.745 ( 0.000 -0.213 -5.639) 5.643 16.156 ( 0.000 0.375 0.794) 0.878 16.182 ( 0.000 0.214 -1.430) 1.446 16.233 ( 0.000 -1.917 -0.512) 1.984 16.237 ( 0.000 -4.148 -0.911) 4.247 16.355 ( 0.000 5.536 3.817) 6.725 16.431 ( 0.000 2.819 -3.390) 4.409 16.459 ( 0.000 4.767 3.477) 5.901 16.516 ( 0.000 0.828 -1.975) 2.142 16.600 ( 0.000 6.633 1.327) 6.765 16.617 ( 0.000 7.650 -0.446) 7.663 16.800 ( 0.000 5.186 3.045) 6.014 16.845 ( 0.000 3.128 -1.377) 3.417 17.024 ( 0.000 -0.119 1.462) 1.467 17.065 ( 0.000 1.962 -2.082) 2.861 17.223 ( 0.000 2.780 4.486) 5.278 17.264 ( 0.000 -0.334 1.076) 1.126 17.732 ( 0.000 1.716 -0.809) 1.898 17.744 ( 0.000 2.194 -1.620) 2.727 18.008 ( 0.000 3.560 1.050) 3.712 18.032 ( 0.000 3.940 -0.760) 4.012 18.188 ( 0.000 2.554 0.147) 2.558 18.275 ( 0.000 -2.155 -8.508) 8.776 18.470 ( 0.000 -4.860 11.196) 12.205 18.745 ( 0.000 -9.104 -13.376) 16.181 18.787 ( 0.000 8.141 8.690) 11.908 18.948 ( 0.000 2.133 -6.661) 6.994 19.236 ( 0.000 -7.238 5.681) 9.201 19.348 ( 0.000 -5.510 -4.929) 7.393 19.880 ( 0.000 2.734 3.592) 4.514 19.954 ( 0.000 -0.291 -3.238) 3.251 20.092 ( 0.000 -1.897 1.658) 2.520 20.110 ( 0.000 -3.072 -0.414) 3.100 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 17.955 9.811 5.984) 21.318 1.895 ( 12.668 12.352 -2.415) 17.857 2.220 ( 1.786 0.848 6.812) 7.093 2.287 ( -2.600 13.456 1.710) 13.811 2.400 ( 2.514 14.698 -3.426) 15.300 2.452 ( 7.068 3.824 -8.258) 11.523 2.651 ( -10.006 9.399 4.997) 14.609 2.805 ( -7.092 7.103 -3.336) 10.577 2.834 ( -8.616 4.767 1.622) 9.979 2.934 ( -2.947 7.167 -4.576) 9.000 3.081 ( -0.206 1.219 3.264) 3.491 3.126 ( -1.460 0.048 2.739) 3.105 3.201 ( 1.484 -1.101 -0.671) 1.965 3.209 ( -1.708 0.283 1.675) 2.409 3.292 ( 0.464 2.113 -1.085) 2.420 3.315 ( -1.002 -0.524 -1.671) 2.018 3.390 ( 1.372 -3.263 -0.377) 3.560 3.443 ( -2.627 -3.721 -2.498) 5.195 3.560 ( -5.336 10.183 0.869) 11.530 3.615 ( -4.703 -0.828 -2.904) 5.589 3.703 ( 1.297 -1.725 -0.814) 2.307 3.779 ( -1.679 7.675 -5.572) 9.632 3.807 ( 1.415 4.241 4.477) 6.327 3.927 ( -2.687 7.397 6.356) 10.116 3.965 ( -0.803 6.921 -7.529) 10.258 4.006 ( 0.020 0.833 -5.249) 5.315 4.068 ( 1.095 -1.030 -3.605) 3.906 4.114 ( -2.013 -1.051 -4.551) 5.086 4.228 ( 5.192 13.945 6.037) 16.058 4.371 ( 4.846 13.131 4.020) 14.562 4.406 ( 3.842 11.335 -2.399) 12.206 4.533 ( 4.519 6.387 -4.653) 9.103 4.588 ( 2.020 -2.412 0.961) 3.290 4.614 ( 3.529 -2.247 -1.914) 4.601 4.762 ( -2.994 0.837 3.719) 4.848 4.846 ( -5.603 -1.078 -3.556) 6.723 4.872 ( 1.174 0.651 1.711) 2.175 4.915 ( 0.341 -1.099 -2.908) 3.127 4.974 ( -3.048 -0.804 1.578) 3.525 4.994 ( -2.387 -3.489 -0.981) 4.340 5.324 ( 2.184 0.510 4.962) 5.445 5.357 ( 4.103 0.539 5.068) 6.543 5.392 ( 1.321 -5.134 0.865) 5.371 5.443 ( 2.203 4.273 -3.160) 5.753 5.505 ( 0.201 -4.698 2.716) 5.430 5.530 ( 1.362 1.808 -0.176) 2.270 5.667 ( -3.089 -2.368 0.926) 4.001 5.677 ( -5.050 -1.851 -0.133) 5.380 5.740 ( -2.400 -2.391 0.535) 3.429 5.750 ( -2.474 -4.231 -0.068) 4.902 5.843 ( 1.528 -0.966 2.476) 3.066 5.880 ( 1.479 -1.313 -1.261) 2.345 5.978 ( 0.994 2.087 0.726) 2.423 5.988 ( 0.407 1.812 -0.495) 1.922 6.040 ( -1.942 0.639 1.084) 2.314 6.054 ( -1.596 0.057 0.060) 1.598 6.420 ( 7.006 -0.273 0.149) 7.013 6.427 ( 5.787 -0.447 -0.614) 5.836 6.640 ( -3.000 0.278 1.656) 3.438 6.660 ( -3.129 -0.726 -0.364) 3.233 7.872 ( 2.090 9.448 10.210) 14.067 7.984 ( -2.064 11.245 11.026) 15.884 8.052 ( 2.776 0.903 -5.737) 6.437 8.195 ( -2.538 2.638 -8.057) 8.850 8.320 ( 0.885 8.730 0.617) 8.797 8.347 ( 0.456 7.565 -3.141) 8.204 8.388 ( -1.690 7.490 1.144) 7.763 8.399 ( -1.346 5.643 -0.992) 5.886 9.009 ( -0.091 -1.474 3.741) 4.022 9.026 ( -0.017 -2.350 2.584) 3.493 9.030 ( -0.176 -1.830 2.358) 2.990 9.060 ( -0.713 -3.196 0.294) 3.287 9.394 ( 1.160 7.012 1.963) 7.373 9.432 ( -0.361 7.832 3.004) 8.396 9.474 ( 2.085 2.877 -5.003) 6.136 9.534 ( -0.412 3.010 -5.267) 6.080 9.960 ( 1.149 12.839 1.675) 12.999 9.980 ( 1.367 14.003 -0.063) 14.069 10.002 ( 0.050 12.053 3.232) 12.479 10.049 ( -0.682 13.710 -0.983) 13.762 10.398 ( 0.218 5.558 13.328) 14.442 10.421 ( -0.597 5.235 13.726) 14.703 10.545 ( 0.499 -6.711 4.245) 7.956 10.575 ( -0.658 -7.575 4.562) 8.867 10.732 ( 0.319 -1.375 -11.271) 11.359 10.760 ( -0.491 8.153 -12.085) 14.586 10.784 ( 0.405 6.031 -10.550) 12.159 10.821 ( -0.943 -4.384 -12.521) 13.300 10.970 ( 0.294 -4.756 6.664) 8.192 10.979 ( -0.066 -5.590 8.488) 10.164 11.227 ( 0.555 -6.431 -14.220) 15.617 11.255 ( -0.498 -5.175 -14.971) 15.848 11.404 ( 0.623 -6.309 -3.254) 7.126 11.450 ( 0.747 -7.920 -4.877) 9.331 11.476 ( -0.479 -9.197 -1.166) 9.283 11.589 ( -2.597 -14.643 -8.630) 17.195 11.800 ( 0.650 -3.696 0.933) 3.867 11.804 ( 0.603 -1.869 0.763) 2.106 11.875 ( -1.450 -0.460 2.337) 2.788 11.908 ( -2.579 -0.262 -1.536) 3.013 12.205 ( -0.171 -1.412 2.553) 2.923 12.212 ( -0.536 -3.820 2.007) 4.348 12.227 ( 0.219 -2.445 2.622) 3.592 12.237 ( 0.027 -1.350 1.695) 2.167 12.507 ( 0.093 2.875 3.999) 4.926 12.527 ( -0.238 2.631 2.575) 3.689 12.616 ( 0.473 0.668 4.021) 4.104 12.635 ( 0.128 -1.287 2.645) 2.944 12.858 ( 0.032 -8.902 3.890) 9.715 12.881 ( -0.929 -11.424 3.218) 11.905 12.942 ( 0.176 -7.799 -3.113) 8.399 12.954 ( -0.170 -7.459 -3.887) 8.413 13.733 ( 2.661 0.865 6.752) 7.309 13.837 ( -0.729 0.762 0.121) 1.062 13.944 ( 2.024 -1.659 4.848) 5.509 14.034 ( -0.246 1.258 0.127) 1.288 14.101 ( -0.158 -2.656 2.780) 3.848 14.105 ( -0.859 -3.001 2.560) 4.037 14.173 ( 1.523 -2.939 1.529) 3.647 14.255 ( -1.084 -8.028 -5.998) 10.080 14.627 ( 0.683 3.044 2.841) 4.220 14.649 ( -0.252 3.327 2.368) 4.092 14.707 ( 1.036 -0.545 -4.257) 4.415 14.741 ( -0.356 -0.277 -5.338) 5.357 16.159 ( 0.306 0.015 0.507) 0.592 16.180 ( -0.158 -0.426 -1.371) 1.445 16.218 ( -0.964 -1.445 -0.345) 1.771 16.227 ( -0.865 -3.155 -1.129) 3.460 16.373 ( 1.542 5.167 3.742) 6.563 16.440 ( 0.090 3.805 -0.490) 3.838 16.449 ( -0.200 3.166 1.086) 3.353 16.501 ( -1.240 1.040 -1.713) 2.356 16.628 ( 2.567 7.248 1.542) 7.843 16.654 ( 3.247 8.355 -0.924) 9.012 16.770 ( -2.532 6.525 3.024) 7.624 16.821 ( -2.402 5.732 -1.760) 6.460 17.047 ( 1.718 0.072 1.519) 2.294 17.077 ( 0.966 0.886 -0.989) 1.642 17.206 ( -1.339 0.896 3.447) 3.805 17.239 ( -1.960 -0.225 0.569) 2.053 17.746 ( 2.779 1.516 2.828) 4.245 17.836 ( 5.623 -0.333 -5.387) 7.794 17.953 ( -2.208 1.945 5.842) 6.541 18.070 ( 0.562 0.112 -4.664) 4.699 18.221 ( 3.036 3.543 -1.081) 4.789 18.277 ( 0.618 -0.771 -6.358) 6.435 18.404 ( -5.113 -1.286 6.707) 8.531 18.537 ( -10.370 -1.619 -3.742) 11.143 18.970 ( 7.837 3.990 0.398) 8.803 19.020 ( 5.767 -2.143 -3.192) 6.931 19.226 ( -0.780 -6.483 4.344) 7.843 19.327 ( -2.246 -5.616 -4.839) 7.746 19.884 ( 0.630 2.429 3.592) 4.382 19.953 ( 0.025 -0.282 -2.624) 2.639 20.035 ( -4.350 -1.087 1.928) 4.881 20.068 ( -3.379 -2.614 -1.257) 4.453 ======================= Grid point 107 (42/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -8.582 11.044 5.303) 14.958 2.128 ( 8.582 11.044 5.303) 14.958 2.239 ( -8.474 4.636 -1.356) 9.754 2.239 ( 8.474 4.636 -1.356) 9.754 2.440 ( -5.449 7.883 7.030) 11.885 2.440 ( 5.449 7.883 7.030) 11.885 2.626 ( -8.042 10.609 -3.435) 13.749 2.626 ( 8.042 10.609 -3.435) 13.749 2.767 ( -7.495 4.033 -10.712) 13.682 2.767 ( 7.495 4.033 -10.712) 13.682 3.093 ( -1.943 -0.221 2.656) 3.299 3.093 ( 1.943 -0.221 2.656) 3.299 3.213 ( -1.414 3.040 -0.998) 3.498 3.213 ( 1.414 3.040 -0.998) 3.498 3.315 ( -3.251 -3.027 2.700) 5.198 3.315 ( 3.251 -3.027 2.700) 5.198 3.384 ( -4.686 1.712 -2.733) 5.688 3.384 ( 4.686 1.712 -2.733) 5.688 3.536 ( -2.594 -1.386 0.046) 2.942 3.536 ( 2.594 -1.386 0.046) 2.942 3.738 ( -1.665 6.931 -0.883) 7.182 3.738 ( 1.665 6.931 -0.883) 7.182 3.869 ( -3.078 8.004 3.692) 9.337 3.869 ( 3.078 8.004 3.692) 9.337 3.973 ( -2.046 2.880 -7.648) 8.425 3.973 ( 2.046 2.880 -7.648) 8.425 4.095 ( -0.694 -1.751 -3.113) 3.639 4.095 ( 0.694 -1.751 -3.113) 3.639 4.349 ( -5.418 12.233 8.669) 15.942 4.349 ( 5.418 12.233 8.669) 15.942 4.519 ( -4.796 8.598 -6.058) 11.559 4.519 ( 4.796 8.598 -6.058) 11.559 4.670 ( -3.243 2.409 0.774) 4.114 4.670 ( 3.243 2.409 0.774) 4.114 4.717 ( -4.315 -0.221 -1.429) 4.551 4.717 ( 4.315 -0.221 -1.429) 4.551 4.910 ( -1.903 0.082 1.742) 2.581 4.910 ( 1.903 0.082 1.742) 2.581 4.957 ( -1.605 -3.528 -1.758) 4.256 4.957 ( 1.605 -3.528 -1.758) 4.256 5.366 ( -1.465 0.411 5.345) 5.557 5.366 ( 1.465 0.411 5.345) 5.557 5.481 ( -2.756 -5.051 -0.038) 5.754 5.481 ( 2.756 -5.051 -0.038) 5.754 5.512 ( -2.555 0.690 2.061) 3.354 5.512 ( 2.555 0.690 2.061) 3.354 5.601 ( -0.931 -3.004 -3.226) 4.505 5.601 ( 0.931 -3.004 -3.226) 4.505 5.712 ( -0.656 0.280 0.591) 0.927 5.712 ( 0.656 0.280 0.591) 0.927 5.885 ( -1.354 -2.525 0.585) 2.925 5.885 ( 1.354 -2.525 0.585) 2.925 5.993 ( -0.188 0.039 -0.114) 0.223 5.993 ( 0.188 0.039 -0.114) 0.223 6.028 ( -0.704 1.150 0.925) 1.635 6.028 ( 0.704 1.150 0.925) 1.635 6.549 ( -4.339 -0.061 0.887) 4.430 6.549 ( 4.339 -0.061 0.887) 4.430 6.564 ( -4.922 -0.561 -0.394) 4.970 6.564 ( 4.922 -0.561 -0.394) 4.970 7.928 ( -2.897 10.437 10.695) 15.222 7.928 ( 2.897 10.437 10.695) 15.222 8.125 ( -3.698 1.767 -6.866) 7.996 8.125 ( 3.698 1.767 -6.866) 7.996 8.348 ( -1.738 7.852 0.958) 8.098 8.348 ( 1.738 7.852 0.958) 8.098 8.367 ( -1.399 6.561 -2.161) 7.048 8.367 ( 1.399 6.561 -2.161) 7.048 9.013 ( -0.481 -1.354 3.639) 3.912 9.013 ( 0.481 -1.354 3.639) 3.912 9.043 ( -0.783 -2.713 0.434) 2.857 9.043 ( 0.783 -2.713 0.434) 2.857 9.418 ( -0.932 7.705 2.956) 8.305 9.418 ( 0.932 7.705 2.956) 8.305 9.515 ( -1.480 2.794 -5.269) 6.145 9.515 ( 1.480 2.794 -5.269) 6.145 9.985 ( -0.886 12.126 2.613) 12.436 9.985 ( 0.886 12.126 2.613) 12.436 10.023 ( -1.636 13.704 -0.347) 13.806 10.023 ( 1.636 13.704 -0.347) 13.806 10.407 ( -0.591 5.174 13.223) 14.211 10.407 ( 0.591 5.174 13.223) 14.211 10.559 ( -0.753 -7.060 4.653) 8.489 10.559 ( 0.753 -7.060 4.653) 8.489 10.744 ( -0.816 3.311 -12.381) 12.842 10.744 ( 0.816 3.311 -12.381) 12.842 10.799 ( -0.938 1.018 -10.933) 11.020 10.799 ( 0.938 1.018 -10.933) 11.020 10.976 ( -0.221 -5.053 7.415) 8.975 10.976 ( 0.221 -5.053 7.415) 8.975 11.241 ( -0.723 -5.962 -14.350) 15.556 11.241 ( 0.723 -5.962 -14.350) 15.556 11.429 ( -1.630 -7.958 -1.982) 8.361 11.429 ( 1.630 -7.958 -1.982) 8.361 11.519 ( -3.447 -11.154 -7.576) 13.917 11.519 ( 3.447 -11.154 -7.576) 13.917 11.813 ( -0.263 -1.568 1.148) 1.961 11.813 ( 0.263 -1.568 1.148) 1.961 11.862 ( -1.014 -2.013 0.405) 2.291 11.862 ( 1.014 -2.013 0.405) 2.291 12.204 ( -0.160 -2.514 2.381) 3.467 12.204 ( 0.160 -2.514 2.381) 3.467 12.233 ( -0.295 -2.022 2.084) 2.919 12.233 ( 0.295 -2.022 2.084) 2.919 12.516 ( -0.628 3.200 3.884) 5.071 12.516 ( 0.628 3.200 3.884) 5.071 12.630 ( -0.612 -0.048 3.072) 3.133 12.630 ( 0.612 -0.048 3.072) 3.133 12.864 ( -0.569 -9.674 3.236) 10.217 12.864 ( 0.569 -9.674 3.236) 10.217 12.948 ( -0.342 -7.442 -3.518) 8.239 12.948 ( 0.342 -7.442 -3.518) 8.239 13.797 ( -2.878 2.223 5.614) 6.689 13.797 ( 2.878 2.223 5.614) 6.689 13.996 ( -2.623 -3.156 1.541) 4.383 13.996 ( 2.623 -3.156 1.541) 4.383 14.101 ( -0.314 -0.528 3.015) 3.077 14.101 ( 0.314 -0.528 3.015) 3.077 14.217 ( -2.297 -6.503 -3.744) 7.847 14.217 ( 2.297 -6.503 -3.744) 7.847 14.641 ( -0.542 3.229 2.610) 4.187 14.641 ( 0.542 3.229 2.610) 4.187 14.729 ( -0.846 -0.440 -4.683) 4.779 14.729 ( 0.846 -0.440 -4.683) 4.779 16.170 ( -0.711 -0.835 -0.374) 1.159 16.170 ( 0.711 -0.835 -0.374) 1.159 16.210 ( -0.396 -1.408 -0.926) 1.731 16.210 ( 0.396 -1.408 -0.926) 1.731 16.412 ( -1.849 4.575 3.515) 6.058 16.412 ( 1.849 4.575 3.515) 6.058 16.472 ( -1.408 1.698 -1.885) 2.901 16.472 ( 1.408 1.698 -1.885) 2.901 16.696 ( -3.086 8.051 1.875) 8.824 16.696 ( 3.086 8.051 1.875) 8.824 16.747 ( -3.852 7.900 -1.238) 8.876 16.747 ( 3.852 7.900 -1.238) 8.876 17.081 ( -1.053 1.164 1.156) 1.949 17.081 ( 1.053 1.164 1.156) 1.949 17.199 ( -1.216 -1.164 0.991) 1.953 17.199 ( 1.216 -1.164 0.991) 1.953 17.831 ( -4.293 0.536 3.943) 5.853 17.831 ( 4.293 0.536 3.943) 5.853 18.020 ( -5.296 -3.405 -4.795) 7.915 18.020 ( 5.296 -3.405 -4.795) 7.915 18.297 ( -4.184 1.848 0.761) 4.637 18.297 ( 4.184 1.848 0.761) 4.637 18.349 ( -6.628 1.632 -3.608) 7.721 18.349 ( 6.628 1.632 -3.608) 7.721 19.084 ( -2.196 0.689 2.371) 3.305 19.084 ( 2.196 0.689 2.371) 3.305 19.250 ( -4.031 -6.109 -2.916) 7.879 19.250 ( 4.031 -6.109 -2.916) 7.879 19.923 ( -3.010 1.787 3.103) 4.678 19.923 ( 3.010 1.787 3.103) 4.678 19.999 ( -2.165 -2.117 -2.298) 3.801 19.999 ( 2.165 -2.117 -2.298) 3.801 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 -7.497 0.171) 7.499 1.866 ( 0.000 7.497 0.171) 7.499 2.163 ( 0.000 -6.747 -2.000) 7.037 2.163 ( 0.000 6.747 -2.000) 7.037 2.659 ( 0.000 -3.129 -0.862) 3.245 2.659 ( 0.000 3.129 -0.862) 3.245 2.833 ( 0.000 -0.250 2.800) 2.811 2.833 ( 0.000 0.250 2.800) 2.811 3.074 ( 0.000 -3.712 2.575) 4.518 3.074 ( 0.000 3.712 2.575) 4.518 3.142 ( 0.000 -2.808 2.681) 3.882 3.142 ( 0.000 2.808 2.681) 3.882 3.202 ( 0.000 -8.702 -4.052) 9.600 3.202 ( 0.000 8.702 -4.052) 9.600 3.308 ( 0.000 -5.617 2.428) 6.119 3.308 ( 0.000 5.617 2.428) 6.119 3.328 ( 0.000 -2.221 -2.459) 3.314 3.328 ( 0.000 2.221 -2.459) 3.314 3.590 ( 0.000 -2.746 -4.449) 5.228 3.590 ( 0.000 2.746 -4.449) 5.228 3.833 ( 0.000 -6.388 -1.328) 6.525 3.833 ( 0.000 6.388 -1.328) 6.525 3.957 ( 0.000 -6.925 -1.296) 7.045 3.957 ( 0.000 6.925 -1.296) 7.045 3.979 ( 0.000 -1.484 -3.604) 3.898 3.979 ( 0.000 1.484 -3.604) 3.898 4.148 ( 0.000 -2.406 -4.834) 5.400 4.148 ( 0.000 2.406 -4.834) 5.400 4.378 ( 0.000 -5.451 0.749) 5.502 4.378 ( 0.000 5.451 0.749) 5.502 4.490 ( 0.000 -2.446 -0.044) 2.446 4.490 ( 0.000 2.446 -0.044) 2.446 4.572 ( 0.000 -4.173 1.829) 4.556 4.572 ( 0.000 4.173 1.829) 4.556 4.827 ( 0.000 -2.706 2.458) 3.656 4.827 ( 0.000 2.706 2.458) 3.656 4.914 ( 0.000 -0.102 -4.310) 4.311 4.914 ( 0.000 0.102 -4.310) 4.311 4.991 ( 0.000 -0.234 2.209) 2.222 4.991 ( 0.000 0.234 2.209) 2.222 5.285 ( 0.000 -0.143 3.227) 3.230 5.285 ( 0.000 0.143 3.227) 3.230 5.414 ( 0.000 -2.792 2.265) 3.595 5.414 ( 0.000 2.792 2.265) 3.595 5.531 ( 0.000 -0.285 -0.530) 0.602 5.531 ( 0.000 0.285 -0.530) 0.602 5.635 ( 0.000 -0.829 2.195) 2.346 5.635 ( 0.000 0.829 2.195) 2.346 5.725 ( 0.000 -0.207 -1.038) 1.059 5.725 ( 0.000 0.207 -1.038) 1.059 5.847 ( 0.000 -0.639 0.748) 0.984 5.847 ( 0.000 0.639 0.748) 0.984 6.035 ( 0.000 -0.491 1.304) 1.393 6.035 ( 0.000 0.491 1.304) 1.393 6.075 ( 0.000 -0.868 0.595) 1.052 6.075 ( 0.000 0.868 0.595) 1.052 6.333 ( 0.000 -0.869 -0.593) 1.052 6.333 ( 0.000 0.869 -0.593) 1.052 6.682 ( 0.000 -0.507 1.258) 1.357 6.682 ( 0.000 0.507 1.258) 1.357 7.982 ( 0.000 -4.038 2.923) 4.985 7.982 ( 0.000 4.038 2.923) 4.985 8.193 ( 0.000 -5.604 2.840) 6.282 8.193 ( 0.000 5.604 2.840) 6.282 8.437 ( 0.000 -1.104 -0.970) 1.469 8.437 ( 0.000 1.104 -0.970) 1.469 8.496 ( 0.000 -0.760 -1.418) 1.609 8.496 ( 0.000 0.760 -1.418) 1.609 8.985 ( 0.000 -0.050 2.695) 2.696 8.985 ( 0.000 0.050 2.695) 2.696 9.014 ( 0.000 -0.702 0.859) 1.110 9.014 ( 0.000 0.702 0.859) 1.110 9.465 ( 0.000 -1.406 -3.350) 3.633 9.465 ( 0.000 1.406 -3.350) 3.633 9.551 ( 0.000 -2.368 -0.677) 2.463 9.551 ( 0.000 2.368 -0.677) 2.463 10.146 ( 0.000 -1.614 4.825) 5.088 10.146 ( 0.000 1.614 4.825) 5.088 10.223 ( 0.000 -4.491 7.168) 8.459 10.223 ( 0.000 4.491 7.168) 8.459 10.424 ( 0.000 -0.848 3.446) 3.548 10.424 ( 0.000 0.848 3.446) 3.548 10.487 ( 0.000 -0.340 4.187) 4.201 10.487 ( 0.000 0.340 4.187) 4.201 10.751 ( 0.000 -6.666 0.546) 6.689 10.751 ( 0.000 6.666 0.546) 6.689 10.794 ( 0.000 -4.155 -1.399) 4.384 10.794 ( 0.000 4.155 -1.399) 4.384 11.026 ( 0.000 -9.969 -12.048) 15.637 11.026 ( 0.000 9.969 -12.048) 15.637 11.054 ( 0.000 -11.386 -13.867) 17.942 11.054 ( 0.000 11.386 -13.867) 17.942 11.339 ( 0.000 -0.589 -5.602) 5.633 11.339 ( 0.000 0.589 -5.602) 5.633 11.397 ( 0.000 -3.465 -6.077) 6.995 11.397 ( 0.000 3.465 -6.077) 6.995 11.780 ( 0.000 -0.506 0.458) 0.683 11.780 ( 0.000 0.506 0.458) 0.683 11.925 ( 0.000 -2.479 -0.125) 2.482 11.925 ( 0.000 2.479 -0.125) 2.482 12.180 ( 0.000 -1.485 2.597) 2.991 12.180 ( 0.000 1.485 2.597) 2.991 12.212 ( 0.000 -1.795 1.912) 2.623 12.212 ( 0.000 1.795 1.912) 2.623 12.569 ( 0.000 -2.640 4.480) 5.200 12.569 ( 0.000 2.640 4.480) 5.200 12.599 ( 0.000 -3.866 3.567) 5.260 12.599 ( 0.000 3.866 3.567) 5.260 12.805 ( 0.000 -4.133 -0.160) 4.136 12.805 ( 0.000 4.133 -0.160) 4.136 12.832 ( 0.000 -4.265 1.156) 4.419 12.832 ( 0.000 4.265 1.156) 4.419 13.747 ( 0.000 -4.089 -1.772) 4.456 13.747 ( 0.000 4.089 -1.772) 4.456 14.014 ( 0.000 -6.055 2.178) 6.434 14.014 ( 0.000 6.055 2.178) 6.434 14.060 ( 0.000 -1.697 0.817) 1.883 14.060 ( 0.000 1.697 0.817) 1.883 14.163 ( 0.000 -0.911 4.385) 4.479 14.163 ( 0.000 0.911 4.385) 4.479 14.670 ( 0.000 -1.838 -0.643) 1.947 14.670 ( 0.000 1.838 -0.643) 1.947 14.717 ( 0.000 -2.432 -2.434) 3.441 14.717 ( 0.000 2.432 -2.434) 3.441 16.168 ( 0.000 -1.542 -0.130) 1.547 16.168 ( 0.000 1.542 -0.130) 1.547 16.189 ( 0.000 -1.016 -1.906) 2.160 16.189 ( 0.000 1.016 -1.906) 2.160 16.429 ( 0.000 -2.003 1.455) 2.476 16.429 ( 0.000 2.003 1.455) 2.476 16.505 ( 0.000 -1.141 0.949) 1.485 16.505 ( 0.000 1.141 0.949) 1.485 16.755 ( 0.000 -1.525 0.139) 1.531 16.755 ( 0.000 1.525 0.139) 1.531 16.810 ( 0.000 -0.136 0.044) 0.143 16.810 ( 0.000 0.136 0.044) 0.143 17.091 ( 0.000 -3.266 2.365) 4.032 17.091 ( 0.000 3.266 2.365) 4.032 17.251 ( 0.000 -0.189 2.287) 2.295 17.251 ( 0.000 0.189 2.287) 2.295 17.768 ( 0.000 -0.616 -0.921) 1.108 17.768 ( 0.000 0.616 -0.922) 1.108 18.063 ( 0.000 -1.160 -0.126) 1.167 18.063 ( 0.000 1.160 -0.126) 1.167 18.231 ( 0.000 -0.952 -1.747) 1.990 18.231 ( 0.000 0.952 -1.747) 1.990 18.461 ( 0.000 -9.177 -5.295) 10.595 18.461 ( 0.000 9.177 -5.295) 10.595 19.002 ( 0.000 -8.173 5.124) 9.647 19.002 ( 0.000 8.173 5.124) 9.647 19.196 ( 0.000 -7.594 -3.450) 8.341 19.196 ( 0.000 7.594 -3.450) 8.341 19.931 ( 0.000 -1.930 -0.014) 1.930 19.931 ( 0.000 1.930 -0.014) 1.930 20.075 ( 0.000 -0.312 0.861) 0.916 20.075 ( 0.000 0.312 0.861) 0.916 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 10.922 -5.304 2.802) 12.461 1.993 ( 10.922 5.304 2.802) 12.461 2.260 ( 7.618 -6.826 -3.306) 10.750 2.260 ( 7.618 6.826 -3.306) 10.750 2.591 ( -5.377 -2.761 2.251) 6.450 2.591 ( -5.377 2.761 2.251) 6.450 2.810 ( -4.023 -6.901 -4.360) 9.101 2.810 ( -4.023 6.901 -4.360) 9.101 3.016 ( -4.827 -9.676 1.332) 10.895 3.016 ( -4.827 9.676 1.332) 10.895 3.083 ( -3.783 -4.073 0.660) 5.598 3.083 ( -3.783 4.073 0.660) 5.598 3.184 ( 0.117 -5.401 1.072) 5.508 3.184 ( 0.117 5.401 1.072) 5.508 3.278 ( -0.924 -4.770 3.504) 5.990 3.278 ( -0.924 4.770 3.504) 5.990 3.378 ( 1.959 -1.000 -4.906) 5.376 3.378 ( 1.959 1.000 -4.906) 5.376 3.549 ( -4.670 -1.794 -4.942) 7.032 3.549 ( -4.670 1.794 -4.942) 7.032 3.827 ( 1.084 -4.296 3.778) 5.823 3.827 ( 1.084 4.296 3.778) 5.823 3.933 ( -0.581 -3.679 -0.774) 3.804 3.933 ( -0.581 3.679 -0.774) 3.804 3.991 ( 1.078 -5.478 -4.683) 7.287 3.991 ( 1.078 5.478 -4.683) 7.287 4.116 ( -2.747 -1.532 -6.104) 6.867 4.116 ( -2.747 1.532 -6.104) 6.867 4.434 ( 4.195 -3.826 -0.628) 5.712 4.434 ( 4.195 3.826 -0.628) 5.712 4.563 ( 3.504 -4.029 1.988) 5.698 4.563 ( 3.504 4.029 1.988) 5.698 4.626 ( 4.900 -1.909 1.961) 5.612 4.626 ( 4.900 1.909 1.961) 5.612 4.812 ( -3.149 -4.259 0.273) 5.304 4.812 ( -3.149 4.259 0.273) 5.304 4.888 ( 0.819 -1.836 -1.355) 2.425 4.888 ( 0.819 1.836 -1.355) 2.425 4.984 ( -1.728 -0.270 1.577) 2.355 4.984 ( -1.728 0.270 1.577) 2.355 5.300 ( 1.905 -0.579 2.274) 3.022 5.300 ( 1.905 0.579 2.274) 3.022 5.413 ( -0.641 -3.697 5.107) 6.337 5.413 ( -0.641 3.697 5.107) 6.337 5.509 ( -1.118 -3.126 -2.977) 4.459 5.509 ( -1.118 3.126 -2.977) 4.459 5.652 ( -4.060 -0.809 0.208) 4.146 5.652 ( -4.060 0.809 0.208) 4.146 5.696 ( 3.347 -1.448 0.405) 3.669 5.696 ( 3.347 1.448 0.405) 3.669 5.843 ( -1.299 -1.341 0.158) 1.873 5.843 ( -1.299 1.341 0.158) 1.873 6.033 ( -0.196 -0.820 1.181) 1.451 6.033 ( -0.196 0.820 1.181) 1.451 6.041 ( -1.531 -0.448 0.696) 1.740 6.041 ( -1.531 0.448 0.696) 1.740 6.421 ( 6.377 -0.243 -0.067) 6.382 6.421 ( 6.377 0.243 -0.067) 6.382 6.648 ( -3.078 -0.494 1.065) 3.294 6.648 ( -3.078 0.494 1.065) 3.294 8.015 ( 2.843 -4.281 3.026) 5.964 8.015 ( 2.843 4.281 3.026) 5.964 8.163 ( -2.662 -5.396 3.011) 6.728 8.163 ( -2.662 5.396 3.011) 6.728 8.438 ( 0.185 -0.881 -1.109) 1.428 8.438 ( 0.185 0.881 -1.109) 1.428 8.479 ( -1.330 -0.654 -1.412) 2.047 8.479 ( -1.330 0.654 -1.412) 2.047 8.989 ( 0.327 -0.357 2.211) 2.263 8.989 ( 0.327 0.357 2.211) 2.263 9.009 ( -0.443 -0.754 0.921) 1.270 9.009 ( -0.443 0.754 0.921) 1.270 9.487 ( 1.808 -1.690 -2.652) 3.627 9.487 ( 1.808 1.690 -2.652) 3.627 9.546 ( -0.491 -2.332 -0.845) 2.529 9.546 ( -0.491 2.332 -0.845) 2.529 10.159 ( 1.149 -1.916 5.221) 5.679 10.159 ( 1.149 1.916 5.221) 5.679 10.216 ( -0.739 -4.070 6.971) 8.106 10.216 ( -0.739 4.070 6.971) 8.106 10.431 ( 0.621 -1.874 3.416) 3.946 10.431 ( 0.621 1.874 3.416) 3.946 10.475 ( -1.022 -1.672 3.862) 4.331 10.475 ( -1.022 1.672 3.862) 4.331 10.757 ( 0.606 -6.550 0.167) 6.580 10.757 ( 0.606 6.550 0.167) 6.580 10.789 ( -0.482 -4.665 -1.341) 4.878 10.789 ( -0.482 4.665 -1.341) 4.878 11.030 ( 0.416 -9.878 -12.005) 15.553 11.030 ( 0.416 9.878 -12.005) 15.553 11.051 ( -0.290 -10.899 -13.359) 17.243 11.051 ( -0.290 10.899 -13.359) 17.243 11.339 ( 0.107 -1.442 -5.857) 6.033 11.339 ( 0.107 1.442 -5.857) 6.033 11.382 ( -1.343 -3.173 -6.156) 7.055 11.382 ( -1.343 3.173 -6.156) 7.055 11.790 ( 1.053 -0.345 0.387) 1.173 11.790 ( 1.053 0.345 0.387) 1.173 11.888 ( -2.897 -1.798 -0.022) 3.409 11.888 ( -2.897 1.798 -0.022) 3.409 12.184 ( 0.369 -1.547 2.500) 2.963 12.184 ( 0.369 1.547 2.500) 2.963 12.206 ( -0.471 -1.748 2.028) 2.719 12.206 ( -0.471 1.748 2.028) 2.719 12.579 ( 0.762 -2.693 4.504) 5.302 12.579 ( 0.762 2.693 4.504) 5.302 12.598 ( -0.094 -3.670 3.684) 5.201 12.598 ( -0.094 3.670 3.684) 5.201 12.811 ( 0.497 -4.165 -0.020) 4.195 12.811 ( 0.497 4.165 -0.020) 4.195 12.830 ( -0.192 -4.287 0.927) 4.390 12.830 ( -0.192 4.287 0.927) 4.390 13.787 ( 3.486 -4.234 -1.245) 5.624 13.787 ( 3.486 4.234 -1.245) 5.624 13.974 ( -3.642 -4.978 0.984) 6.246 13.974 ( -3.642 4.978 0.984) 6.246 14.081 ( 2.063 -0.362 2.118) 2.979 14.081 ( 2.063 0.362 2.118) 2.979 14.160 ( -0.605 -1.203 3.691) 3.929 14.160 ( -0.605 1.203 3.691) 3.929 14.681 ( 0.919 -1.957 -0.788) 2.301 14.681 ( 0.919 1.957 -0.788) 2.301 14.713 ( -0.350 -2.370 -2.116) 3.197 14.713 ( -0.350 2.370 -2.116) 3.197 16.166 ( -0.071 -1.365 -0.467) 1.444 16.166 ( -0.071 1.365 -0.467) 1.444 16.181 ( -0.599 -0.878 -1.687) 1.994 16.181 ( -0.599 0.878 -1.687) 1.994 16.441 ( 0.995 -1.833 1.474) 2.554 16.441 ( 0.995 1.833 1.474) 2.554 16.492 ( -1.038 -1.169 1.110) 1.917 16.492 ( -1.038 1.169 1.110) 1.917 16.785 ( 2.441 -2.315 0.365) 3.384 16.785 ( 2.441 2.315 0.365) 3.384 16.831 ( 1.374 -0.807 0.179) 1.603 16.831 ( 1.374 0.807 0.179) 1.603 17.091 ( 0.443 -2.721 2.120) 3.477 17.091 ( 0.443 2.721 2.120) 3.477 17.213 ( -3.306 -1.712 1.881) 4.172 17.213 ( -3.306 1.712 1.881) 4.172 17.804 ( 3.294 -2.956 -0.893) 4.515 17.804 ( 3.294 2.956 -0.893) 4.515 18.010 ( -4.487 -4.044 -0.987) 6.121 18.010 ( -4.487 4.044 -0.987) 6.121 18.263 ( 2.872 -0.994 -1.236) 3.280 18.263 ( 2.872 0.994 -1.236) 3.280 18.424 ( -3.207 -5.597 -3.958) 7.569 18.424 ( -3.207 5.597 -3.958) 7.569 19.056 ( 4.262 -4.734 3.455) 7.247 19.056 ( 4.262 4.734 3.455) 7.247 19.189 ( -0.950 -6.489 -2.597) 7.054 19.189 ( -0.950 6.489 -2.597) 7.054 19.930 ( 0.257 -1.825 0.089) 1.845 19.930 ( 0.257 1.825 0.089) 1.845 20.034 ( -3.408 -0.782 0.763) 3.578 20.034 ( -3.408 0.782 0.763) 3.578 ======================= Grid point 114 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -10.708 -2.488 5.067) 12.105 2.255 ( -9.969 1.540 5.067) 11.289 2.255 ( 9.969 -1.540 5.067) 11.289 2.255 ( 10.708 2.488 5.067) 12.105 2.623 ( -10.423 -7.195 -7.576) 14.758 2.623 ( 9.698 -6.937 -7.576) 14.127 2.623 ( -9.698 6.937 -7.576) 14.127 2.623 ( 10.423 7.195 -7.576) 14.758 2.997 ( -2.613 -11.520 1.401) 11.895 2.997 ( 2.520 -11.514 1.401) 11.870 2.997 ( -2.520 11.514 1.401) 11.870 2.997 ( 2.613 11.520 1.401) 11.895 3.229 ( -3.229 -1.882 1.631) 4.078 3.229 ( 2.898 -1.743 1.631) 3.755 3.229 ( -2.898 1.743 1.631) 3.755 3.229 ( 3.229 1.882 1.631) 4.078 3.442 ( -1.816 -5.395 -3.975) 6.943 3.442 ( -1.107 -5.347 -3.975) 6.754 3.442 ( 1.107 5.347 -3.975) 6.754 3.442 ( 1.816 5.395 -3.975) 6.943 3.889 ( -2.288 -4.914 4.433) 7.003 3.889 ( 0.482 -4.785 4.433) 6.541 3.889 ( -0.482 4.785 4.433) 6.541 3.889 ( 2.288 4.914 4.433) 7.003 4.045 ( -3.357 -3.455 -7.696) 9.080 4.045 ( 2.696 -3.307 -7.696) 8.800 4.045 ( -2.696 3.307 -7.696) 8.800 4.045 ( 3.357 3.455 -7.696) 9.080 4.539 ( -4.804 -4.171 0.499) 6.381 4.539 ( 4.575 -4.106 0.499) 6.168 4.539 ( -4.575 4.106 0.499) 6.168 4.539 ( 4.804 4.171 0.499) 6.381 4.736 ( -4.212 -1.610 1.407) 4.724 4.736 ( -3.263 0.906 1.407) 3.667 4.736 ( 3.263 -0.906 1.407) 3.667 4.736 ( 4.212 1.610 1.407) 4.724 4.931 ( -2.516 -0.831 0.601) 2.717 4.931 ( -2.493 0.813 0.601) 2.690 4.931 ( 2.493 -0.813 0.601) 2.690 4.931 ( 2.516 0.831 0.601) 2.717 5.363 ( -3.041 -2.234 3.082) 4.872 5.363 ( -0.504 -1.656 3.082) 3.535 5.363 ( 0.504 1.656 3.082) 3.535 5.363 ( 3.041 2.234 3.082) 4.872 5.544 ( -3.803 -1.835 -1.499) 4.481 5.544 ( -2.417 -1.102 -1.499) 3.050 5.544 ( 2.417 1.102 -1.499) 3.050 5.544 ( 3.803 1.835 -1.499) 4.481 5.786 ( -2.175 -4.833 0.197) 5.304 5.786 ( -0.332 -4.712 0.197) 4.728 5.786 ( 0.332 4.712 0.197) 4.728 5.786 ( 2.175 4.833 0.197) 5.304 6.029 ( -0.033 -1.240 0.975) 1.578 6.029 ( 0.029 -1.240 0.975) 1.578 6.029 ( -0.029 1.240 0.975) 1.578 6.029 ( 0.033 1.240 0.975) 1.578 6.554 ( -5.584 -0.359 0.577) 5.625 6.554 ( -5.566 0.279 0.577) 5.603 6.554 ( 5.566 -0.279 0.577) 5.603 6.554 ( 5.584 0.359 0.577) 5.625 8.090 ( -3.868 -4.862 3.151) 6.966 8.090 ( 3.867 -4.861 3.151) 6.965 8.090 ( -3.867 4.861 3.151) 6.965 8.090 ( 3.868 4.862 3.151) 6.966 8.451 ( -1.070 -0.596 -1.328) 1.807 8.451 ( 0.406 -0.333 -1.328) 1.428 8.451 ( -0.406 0.333 -1.328) 1.428 8.451 ( 1.070 0.596 -1.328) 1.807 8.998 ( -0.463 -0.781 1.374) 1.647 8.998 ( 0.373 -0.769 1.374) 1.618 8.998 ( -0.373 0.769 1.374) 1.618 8.998 ( 0.463 0.781 1.374) 1.647 9.526 ( -1.435 -2.269 -1.498) 3.074 9.526 ( 1.288 -2.247 -1.498) 2.992 9.526 ( -1.288 2.247 -1.498) 2.992 9.526 ( 1.435 2.269 -1.498) 3.074 10.190 ( -1.485 -3.131 6.196) 7.099 10.190 ( 1.369 -3.118 6.196) 7.070 10.190 ( -1.369 3.118 6.196) 7.070 10.190 ( 1.485 3.131 6.196) 7.099 10.450 ( -1.039 -2.750 3.464) 4.544 10.450 ( 0.911 -2.739 3.464) 4.509 10.450 ( -0.911 2.739 3.464) 4.509 10.450 ( 1.039 2.750 3.464) 4.544 10.774 ( -0.819 -5.932 -0.754) 6.036 10.774 ( 0.814 -5.932 -0.754) 6.035 10.774 ( -0.814 5.932 -0.754) 6.035 10.774 ( 0.819 5.932 -0.754) 6.036 11.041 ( -0.538 -10.625 -12.397) 16.335 11.041 ( 0.535 -10.625 -12.397) 16.335 11.041 ( -0.535 10.625 -12.397) 16.335 11.041 ( 0.538 10.625 -12.397) 16.335 11.352 ( -1.136 -2.451 -6.180) 6.745 11.352 ( 1.103 -2.447 -6.180) 6.738 11.352 ( -1.103 2.447 -6.180) 6.738 11.352 ( 1.136 2.451 -6.180) 6.745 11.827 ( -1.818 -1.619 0.204) 2.443 11.827 ( -0.752 -1.392 0.204) 1.595 11.827 ( 0.752 1.392 0.204) 1.595 11.827 ( 1.818 1.619 0.204) 2.443 12.194 ( -0.477 -1.948 2.271) 3.030 12.194 ( 0.435 -1.945 2.271) 3.022 12.194 ( -0.435 1.945 2.271) 3.022 12.194 ( 0.477 1.948 2.271) 3.030 12.593 ( -0.419 -3.432 4.148) 5.400 12.593 ( 0.410 -3.431 4.148) 5.399 12.593 ( -0.410 3.431 4.148) 5.399 12.593 ( 0.419 3.432 4.148) 5.400 12.823 ( -0.499 -4.417 0.418) 4.465 12.823 ( 0.495 -4.417 0.418) 4.464 12.823 ( -0.495 4.417 0.418) 4.464 12.823 ( 0.499 4.417 0.418) 4.465 13.879 ( -4.182 -5.722 -0.091) 7.088 13.879 ( 2.220 -5.441 -0.091) 5.877 13.879 ( -2.220 5.441 -0.091) 5.877 13.879 ( 4.182 5.722 -0.091) 7.088 14.130 ( -1.378 -2.316 2.844) 3.918 14.130 ( -0.156 -2.213 2.844) 3.607 14.130 ( 0.156 2.213 2.844) 3.607 14.130 ( 1.378 2.316 2.844) 3.918 14.701 ( -0.798 -2.228 -1.371) 2.735 14.701 ( 0.788 -2.227 -1.371) 2.731 14.701 ( -0.788 2.227 -1.371) 2.731 14.701 ( 0.798 2.228 -1.371) 2.735 16.169 ( -0.329 -1.298 -1.133) 1.755 16.169 ( 0.284 -1.296 -1.133) 1.745 16.169 ( -0.284 1.296 -1.133) 1.745 16.169 ( 0.329 1.298 -1.133) 1.755 16.466 ( -1.294 -1.438 1.368) 2.370 16.466 ( 1.278 -1.435 1.368) 2.359 16.466 ( -1.278 1.435 1.368) 2.359 16.466 ( 1.294 1.438 1.368) 2.370 16.834 ( -1.446 -2.230 0.595) 2.723 16.834 ( 1.348 -2.214 0.595) 2.660 16.834 ( -1.348 2.214 0.595) 2.660 16.834 ( 1.446 2.230 0.595) 2.723 17.133 ( -2.687 -3.910 1.545) 4.989 17.133 ( 0.539 -3.682 1.545) 4.029 17.133 ( -0.539 3.682 1.545) 4.029 17.133 ( 2.687 3.910 1.545) 4.989 17.899 ( -4.595 -5.757 -1.087) 7.445 17.899 ( 2.080 -5.380 -1.087) 5.869 17.899 ( -2.080 5.380 -1.087) 5.869 17.899 ( 4.595 5.757 -1.087) 7.445 18.341 ( -4.131 -1.987 -2.052) 5.023 18.341 ( -1.584 0.555 -2.052) 2.651 18.341 ( 1.584 -0.555 -2.052) 2.651 18.341 ( 4.131 1.987 -2.052) 5.023 19.144 ( -2.833 -4.209 0.143) 5.076 19.144 ( 1.395 -4.025 0.143) 4.262 19.144 ( -1.395 4.025 0.143) 4.262 19.144 ( 2.833 4.209 0.143) 5.076 19.960 ( -2.629 -1.726 0.413) 3.171 19.960 ( 0.253 -1.126 0.413) 1.225 19.960 ( -0.253 1.126 0.413) 1.225 19.960 ( 2.629 1.726 0.413) 3.171 =================== 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 3/24960 10.0 30.885 154.317 72.081 0.000 0.000 -0.000 3/24960 20.0 38.406 81.994 46.315 0.000 0.000 0.000 3/24960 30.0 22.932 43.750 22.983 0.000 0.000 0.000 3/24960 40.0 14.301 27.305 14.286 0.000 0.000 0.000 3/24960 50.0 9.851 19.185 10.124 0.000 0.000 0.000 3/24960 60.0 7.341 14.575 7.776 0.000 0.000 0.000 3/24960 70.0 5.786 11.667 6.297 0.000 0.000 0.000 3/24960 80.0 4.745 9.685 5.289 0.000 0.000 0.000 3/24960 90.0 4.006 8.256 4.561 0.000 0.000 0.000 3/24960 100.0 3.457 7.183 4.011 0.000 0.000 0.000 3/24960 110.0 3.035 6.351 3.582 0.000 0.000 0.000 3/24960 120.0 2.702 5.690 3.239 0.000 0.000 0.000 3/24960 130.0 2.433 5.153 2.958 0.000 0.000 0.000 3/24960 140.0 2.211 4.710 2.723 0.000 0.000 0.000 3/24960 150.0 2.026 4.338 2.525 0.000 0.000 0.000 3/24960 160.0 1.870 4.023 2.355 0.000 0.000 0.000 3/24960 170.0 1.736 3.751 2.208 0.000 0.000 0.000 3/24960 180.0 1.620 3.516 2.079 0.000 0.000 0.000 3/24960 190.0 1.519 3.310 1.965 0.000 0.000 0.000 3/24960 200.0 1.430 3.128 1.863 0.000 0.000 0.000 3/24960 210.0 1.351 2.966 1.772 0.000 0.000 0.000 3/24960 220.0 1.281 2.821 1.690 0.000 0.000 0.000 3/24960 230.0 1.217 2.690 1.616 0.000 0.000 0.000 3/24960 240.0 1.160 2.572 1.548 0.000 0.000 0.000 3/24960 250.0 1.108 2.464 1.486 0.000 0.000 0.000 3/24960 260.0 1.061 2.365 1.429 0.000 0.000 0.000 3/24960 270.0 1.018 2.274 1.376 0.000 0.000 0.000 3/24960 280.0 0.978 2.190 1.327 0.000 0.000 0.000 3/24960 290.0 0.941 2.113 1.282 0.000 0.000 0.000 3/24960 300.0 0.907 2.040 1.240 0.000 0.000 0.000 3/24960 310.0 0.876 1.973 1.200 0.000 0.000 0.000 3/24960 320.0 0.846 1.911 1.163 0.000 0.000 0.000 3/24960 330.0 0.819 1.852 1.128 0.000 0.000 0.000 3/24960 340.0 0.793 1.797 1.096 0.000 0.000 0.000 3/24960 350.0 0.769 1.745 1.065 0.000 0.000 0.000 3/24960 360.0 0.747 1.696 1.036 0.000 0.000 0.000 3/24960 370.0 0.726 1.650 1.008 0.000 0.000 0.000 3/24960 380.0 0.706 1.607 0.982 0.000 0.000 0.000 3/24960 390.0 0.687 1.566 0.957 0.000 0.000 0.000 3/24960 400.0 0.669 1.526 0.934 0.000 0.000 0.000 3/24960 410.0 0.652 1.489 0.911 0.000 0.000 0.000 3/24960 420.0 0.636 1.454 0.890 0.000 0.000 0.000 3/24960 430.0 0.620 1.420 0.870 0.000 0.000 0.000 3/24960 440.0 0.606 1.388 0.850 0.000 0.000 0.000 3/24960 450.0 0.592 1.357 0.832 0.000 0.000 0.000 3/24960 460.0 0.578 1.328 0.814 0.000 0.000 0.000 3/24960 470.0 0.566 1.300 0.797 0.000 0.000 0.000 3/24960 480.0 0.554 1.273 0.781 0.000 0.000 0.000 3/24960 490.0 0.542 1.247 0.765 0.000 0.000 0.000 3/24960 500.0 0.531 1.222 0.750 0.000 0.000 0.000 3/24960 510.0 0.520 1.198 0.736 0.000 0.000 0.000 3/24960 520.0 0.510 1.175 0.722 0.000 0.000 0.000 3/24960 530.0 0.500 1.153 0.708 0.000 0.000 0.000 3/24960 540.0 0.491 1.132 0.695 0.000 0.000 0.000 3/24960 550.0 0.481 1.112 0.683 0.000 0.000 0.000 3/24960 560.0 0.473 1.092 0.671 0.000 0.000 0.000 3/24960 570.0 0.464 1.073 0.659 0.000 0.000 0.000 3/24960 580.0 0.456 1.054 0.648 0.000 0.000 0.000 3/24960 590.0 0.448 1.037 0.637 0.000 0.000 0.000 3/24960 600.0 0.441 1.020 0.627 0.000 0.000 0.000 3/24960 610.0 0.433 1.003 0.617 0.000 0.000 0.000 3/24960 620.0 0.426 0.987 0.607 0.000 0.000 0.000 3/24960 630.0 0.419 0.971 0.597 0.000 0.000 0.000 3/24960 640.0 0.413 0.956 0.588 0.000 0.000 0.000 3/24960 650.0 0.406 0.942 0.579 0.000 0.000 0.000 3/24960 660.0 0.400 0.928 0.571 0.000 0.000 0.000 3/24960 670.0 0.394 0.914 0.562 0.000 0.000 0.000 3/24960 680.0 0.388 0.900 0.554 0.000 0.000 0.000 3/24960 690.0 0.382 0.887 0.546 0.000 0.000 0.000 3/24960 700.0 0.377 0.875 0.538 0.000 0.000 0.000 3/24960 710.0 0.371 0.863 0.531 0.000 0.000 0.000 3/24960 720.0 0.366 0.851 0.524 0.000 0.000 0.000 3/24960 730.0 0.361 0.839 0.517 0.000 0.000 0.000 3/24960 740.0 0.356 0.828 0.510 0.000 0.000 0.000 3/24960 750.0 0.351 0.817 0.503 0.000 0.000 0.000 3/24960 760.0 0.347 0.806 0.496 0.000 0.000 0.000 3/24960 770.0 0.342 0.796 0.490 0.000 0.000 0.000 3/24960 780.0 0.338 0.786 0.484 0.000 0.000 0.000 3/24960 790.0 0.333 0.776 0.478 0.000 0.000 0.000 3/24960 800.0 0.329 0.766 0.472 0.000 0.000 0.000 3/24960 810.0 0.325 0.757 0.466 0.000 0.000 0.000 3/24960 820.0 0.321 0.748 0.460 0.000 0.000 0.000 3/24960 830.0 0.317 0.739 0.455 0.000 0.000 0.000 3/24960 840.0 0.313 0.730 0.450 0.000 0.000 0.000 3/24960 850.0 0.310 0.721 0.444 0.000 0.000 0.000 3/24960 860.0 0.306 0.713 0.439 0.000 0.000 0.000 3/24960 870.0 0.303 0.705 0.434 0.000 0.000 0.000 3/24960 880.0 0.299 0.697 0.429 0.000 0.000 0.000 3/24960 890.0 0.296 0.689 0.425 0.000 0.000 0.000 3/24960 900.0 0.292 0.682 0.420 0.000 0.000 0.000 3/24960 910.0 0.289 0.674 0.415 0.000 0.000 0.000 3/24960 920.0 0.286 0.667 0.411 0.000 0.000 0.000 3/24960 930.0 0.283 0.660 0.406 0.000 0.000 0.000 3/24960 940.0 0.280 0.653 0.402 0.000 0.000 0.000 3/24960 950.0 0.277 0.646 0.398 0.000 0.000 0.000 3/24960 960.0 0.274 0.639 0.394 0.000 0.000 0.000 3/24960 970.0 0.271 0.633 0.390 0.000 0.000 0.000 3/24960 980.0 0.268 0.626 0.386 0.000 0.000 0.000 3/24960 990.0 0.266 0.620 0.382 0.000 0.000 0.000 3/24960 1000.0 0.263 0.614 0.378 0.000 0.000 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m485.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:33:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|