----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:51:49]------------------------- 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: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.438225590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): *1 O 0.30550775656173 0.94608003500418 0.15430113455205 15.999 2 O 0.69449224343827 0.05391996499582 0.65430113455205 15.999 3 O 0.80550775656173 0.55391996499582 0.15430113455205 15.999 4 O 0.19449224343827 0.44608003500418 0.65430113455205 15.999 *5 O 0.75670107324739 0.49872935252996 0.89990257390776 15.999 6 O 0.24329892675261 0.50127064747004 0.39990257390776 15.999 7 O 0.25670107324739 0.00127064747004 0.89990257390776 15.999 8 O 0.74329892675261 0.99872935252996 0.39990257390776 15.999 *9 O 0.24645426619945 0.49701247155689 0.15125230313736 15.999 10 O 0.75354573380055 0.50298752844311 0.65125230313736 15.999 11 O 0.74645426619945 0.00298752844311 0.15125230313736 15.999 12 O 0.25354573380055 0.99701247155689 0.65125230313736 15.999 *13 O 0.70806114957069 0.06998741170377 0.90735953983064 15.999 14 O 0.29193885042931 0.93001258829623 0.40735953983064 15.999 15 O 0.20806114957069 0.43001258829623 0.90735953983064 15.999 *16 O 0.07899722648181 0.13506851820417 0.78271874026361 15.999 17 O 0.79193885042931 0.56998741170377 0.40735953983064 15.999 *18 O 0.59469119340703 0.73570639661042 0.52790727725968 15.999 19 O 0.90530880659297 0.23570639661042 0.02790727725968 15.999 20 O 0.09469119340703 0.76429360338958 0.52790727725968 15.999 *21 O 0.88392504132726 0.83210526552895 0.95394828541052 15.999 22 O 0.11607495867274 0.16789473447105 0.45394828541052 15.999 23 O 0.38392504132726 0.66789473447105 0.95394828541052 15.999 24 O 0.61607495867274 0.33210526552894 0.45394828541052 15.999 *25 O 0.97128049632989 0.53291547957413 0.84216600397054 15.999 26 O 0.02871950367011 0.46708452042587 0.34216600397054 15.999 27 O 0.47128049632989 0.96708452042587 0.84216600397054 15.999 28 O 0.52871950367011 0.03291547957413 0.34216600397054 15.999 *29 O 0.51573078359508 0.90466746873252 0.08924682003312 15.999 30 O 0.48426921640492 0.09533253126749 0.58924682003312 15.999 31 O 0.01573078359508 0.59533253126748 0.08924682003312 15.999 32 O 0.98426921640492 0.40466746873251 0.58924682003312 15.999 *33 O 0.86839776304409 0.16620613375343 0.75737739208100 15.999 34 O 0.13160223695591 0.83379386624657 0.25737739208100 15.999 35 O 0.36839776304409 0.33379386624656 0.75737739208100 15.999 36 O 0.63160223695591 0.66620613375343 0.25737739208100 15.999 37 O 0.42100277351819 0.63506851820417 0.28271874026361 15.999 38 O 0.57899722648181 0.36493148179583 0.78271874026361 15.999 39 O 0.92100277351819 0.86493148179583 0.28271874026361 15.999 40 O 0.40530880659297 0.26429360338958 0.02790727725968 15.999 *41 Na 0.84179778216809 0.79968973925387 0.73219287516560 22.990 *42 Na 0.39949057282736 0.27211206722797 0.41033018434377 22.990 43 Na 0.89949057282736 0.22788793277203 0.41033018434377 22.990 44 Na 0.60050942717264 0.72788793277203 0.91033018434377 22.990 45 Na 0.65820221783191 0.29968973925387 0.23219287516560 22.990 46 Na 0.34179778216809 0.70031026074613 0.73219287516560 22.990 47 Na 0.15820221783191 0.20031026074613 0.23219287516560 22.990 48 Na 0.10050942717264 0.77211206722797 0.91033018434377 22.990 *49 Ge 0.01892066632592 0.68612531781835 0.24407522328643 72.640 50 Ge 0.48107933367408 0.18612531781835 0.74407522328643 72.640 51 Ge 0.51892066632592 0.81387468218165 0.24407522328643 72.640 *52 Ge 0.68739215342727 0.54116333668484 0.51041963516760 72.640 53 Ge 0.31260784657273 0.45883666331516 0.01041963516760 72.640 54 Ge 0.18739215342727 0.95883666331516 0.51041963516760 72.640 55 Ge 0.98107933367408 0.31387468218165 0.74407522328643 72.640 56 Ge 0.81260784657273 0.04116333668484 0.01041963516760 72.640 *57 Sb 0.72558980741349 0.27975173436488 0.77382030871956 121.760 58 Sb 0.27441019258651 0.72024826563512 0.27382030871956 121.760 59 Sb 0.22558980741349 0.22024826563512 0.77382030871956 121.760 *60 Sb 0.88541286386785 0.53414452585762 0.99940168287072 121.760 61 Sb 0.11458713613215 0.46585547414238 0.49940168287073 121.760 62 Sb 0.38541286386785 0.96585547414238 0.99940168287072 121.760 63 Sb 0.61458713613215 0.03414452585762 0.49940168287073 121.760 64 Sb 0.77441019258651 0.77975173436488 0.27382030871956 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.438225590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): *1 O 0.30550775656173 0.94608003500418 0.15430113455205 15.999 > 1 2 O 0.69449224343827 0.05391996499582 0.65430113455205 15.999 > 2 3 O 0.80550775656173 0.55391996499582 0.15430113455205 15.999 > 3 4 O 0.19449224343827 0.44608003500418 0.65430113455205 15.999 > 4 *5 O 0.75670107324739 0.49872935252996 0.89990257390776 15.999 > 5 6 O 0.24329892675261 0.50127064747004 0.39990257390776 15.999 > 6 7 O 0.25670107324739 0.00127064747004 0.89990257390776 15.999 > 7 8 O 0.74329892675261 0.99872935252996 0.39990257390776 15.999 > 8 *9 O 0.24645426619945 0.49701247155689 0.15125230313736 15.999 > 9 10 O 0.75354573380055 0.50298752844311 0.65125230313736 15.999 > 10 11 O 0.74645426619945 0.00298752844311 0.15125230313736 15.999 > 11 12 O 0.25354573380055 0.99701247155689 0.65125230313736 15.999 > 12 *13 O 0.70806114957069 0.06998741170377 0.90735953983064 15.999 > 13 14 O 0.29193885042931 0.93001258829623 0.40735953983064 15.999 > 14 15 O 0.20806114957069 0.43001258829623 0.90735953983064 15.999 > 15 *16 O 0.07899722648181 0.13506851820417 0.78271874026361 15.999 > 16 17 O 0.79193885042931 0.56998741170377 0.40735953983064 15.999 > 17 *18 O 0.59469119340703 0.73570639661042 0.52790727725968 15.999 > 18 19 O 0.90530880659297 0.23570639661042 0.02790727725968 15.999 > 19 20 O 0.09469119340703 0.76429360338958 0.52790727725968 15.999 > 20 *21 O 0.88392504132726 0.83210526552895 0.95394828541052 15.999 > 21 22 O 0.11607495867274 0.16789473447105 0.45394828541052 15.999 > 22 23 O 0.38392504132726 0.66789473447105 0.95394828541052 15.999 > 23 24 O 0.61607495867274 0.33210526552894 0.45394828541052 15.999 > 24 *25 O 0.97128049632989 0.53291547957413 0.84216600397054 15.999 > 25 26 O 0.02871950367011 0.46708452042587 0.34216600397054 15.999 > 26 27 O 0.47128049632989 0.96708452042587 0.84216600397054 15.999 > 27 28 O 0.52871950367011 0.03291547957413 0.34216600397054 15.999 > 28 *29 O 0.51573078359508 0.90466746873252 0.08924682003312 15.999 > 29 30 O 0.48426921640492 0.09533253126749 0.58924682003312 15.999 > 30 31 O 0.01573078359508 0.59533253126748 0.08924682003312 15.999 > 31 32 O 0.98426921640492 0.40466746873251 0.58924682003312 15.999 > 32 *33 O 0.86839776304409 0.16620613375343 0.75737739208100 15.999 > 33 34 O 0.13160223695591 0.83379386624657 0.25737739208100 15.999 > 34 35 O 0.36839776304409 0.33379386624656 0.75737739208100 15.999 > 35 36 O 0.63160223695591 0.66620613375343 0.25737739208100 15.999 > 36 37 O 0.42100277351819 0.63506851820417 0.28271874026361 15.999 > 37 38 O 0.57899722648181 0.36493148179583 0.78271874026361 15.999 > 38 39 O 0.92100277351819 0.86493148179583 0.28271874026361 15.999 > 39 40 O 0.40530880659297 0.26429360338958 0.02790727725968 15.999 > 40 *41 Na 0.84179778216809 0.79968973925387 0.73219287516560 22.990 > 41 *42 Na 0.39949057282736 0.27211206722797 0.41033018434377 22.990 > 42 43 Na 0.89949057282736 0.22788793277203 0.41033018434377 22.990 > 43 44 Na 0.60050942717264 0.72788793277203 0.91033018434377 22.990 > 44 45 Na 0.65820221783191 0.29968973925387 0.23219287516560 22.990 > 45 46 Na 0.34179778216809 0.70031026074613 0.73219287516560 22.990 > 46 47 Na 0.15820221783191 0.20031026074613 0.23219287516560 22.990 > 47 48 Na 0.10050942717264 0.77211206722797 0.91033018434377 22.990 > 48 *49 Ge 0.01892066632592 0.68612531781835 0.24407522328643 72.640 > 49 50 Ge 0.48107933367408 0.18612531781835 0.74407522328643 72.640 > 50 51 Ge 0.51892066632592 0.81387468218165 0.24407522328643 72.640 > 51 *52 Ge 0.68739215342727 0.54116333668484 0.51041963516760 72.640 > 52 53 Ge 0.31260784657273 0.45883666331516 0.01041963516760 72.640 > 53 54 Ge 0.18739215342727 0.95883666331516 0.51041963516760 72.640 > 54 55 Ge 0.98107933367408 0.31387468218165 0.74407522328643 72.640 > 55 56 Ge 0.81260784657273 0.04116333668484 0.01041963516760 72.640 > 56 *57 Sb 0.72558980741349 0.27975173436488 0.77382030871956 121.760 > 57 58 Sb 0.27441019258651 0.72024826563512 0.27382030871956 121.760 > 58 59 Sb 0.22558980741349 0.22024826563512 0.77382030871956 121.760 > 59 *60 Sb 0.88541286386785 0.53414452585762 0.99940168287072 121.760 > 60 61 Sb 0.11458713613215 0.46585547414238 0.49940168287073 121.760 > 61 62 Sb 0.38541286386785 0.96585547414238 0.99940168287072 121.760 > 62 63 Sb 0.61458713613215 0.03414452585762 0.49940168287073 121.760 > 63 64 Sb 0.77441019258651 0.77975173436488 0.27382030871956 121.760 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.876451180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): *1 O 0.30550775656173 0.47304001750209 0.15430113455205 15.999 > 1 2 O 0.30550775656173 0.97304001750209 0.15430113455205 15.999 > 1 3 O 0.69449224343827 0.02695998249791 0.65430113455205 15.999 > 2 4 O 0.69449224343827 0.52695998249791 0.65430113455205 15.999 > 2 5 O 0.80550775656173 0.27695998249791 0.15430113455205 15.999 > 3 6 O 0.80550775656173 0.77695998249791 0.15430113455205 15.999 > 3 7 O 0.19449224343827 0.22304001750209 0.65430113455205 15.999 > 4 8 O 0.19449224343827 0.72304001750209 0.65430113455205 15.999 > 4 *9 O 0.75670107324739 0.24936467626498 0.89990257390776 15.999 > 5 10 O 0.75670107324739 0.74936467626498 0.89990257390776 15.999 > 5 11 O 0.24329892675261 0.25063532373502 0.39990257390776 15.999 > 6 12 O 0.24329892675261 0.75063532373502 0.39990257390776 15.999 > 6 13 O 0.25670107324739 0.00063532373502 0.89990257390776 15.999 > 7 14 O 0.25670107324739 0.50063532373502 0.89990257390776 15.999 > 7 15 O 0.74329892675261 0.49936467626498 0.39990257390776 15.999 > 8 16 O 0.74329892675261 0.99936467626498 0.39990257390776 15.999 > 8 *17 O 0.24645426619945 0.24850623577844 0.15125230313736 15.999 > 9 18 O 0.24645426619945 0.74850623577844 0.15125230313736 15.999 > 9 19 O 0.75354573380055 0.25149376422156 0.65125230313736 15.999 > 10 20 O 0.75354573380055 0.75149376422156 0.65125230313736 15.999 > 10 21 O 0.74645426619945 0.00149376422156 0.15125230313736 15.999 > 11 22 O 0.74645426619945 0.50149376422156 0.15125230313736 15.999 > 11 23 O 0.25354573380055 0.49850623577844 0.65125230313736 15.999 > 12 24 O 0.25354573380055 0.99850623577844 0.65125230313736 15.999 > 12 *25 O 0.70806114957069 0.03499370585189 0.90735953983064 15.999 > 13 26 O 0.70806114957069 0.53499370585189 0.90735953983064 15.999 > 13 27 O 0.29193885042931 0.46500629414811 0.40735953983064 15.999 > 14 28 O 0.29193885042931 0.96500629414811 0.40735953983064 15.999 > 14 29 O 0.20806114957069 0.21500629414811 0.90735953983064 15.999 > 15 30 O 0.20806114957069 0.71500629414811 0.90735953983064 15.999 > 15 *31 O 0.07899722648181 0.06753425910209 0.78271874026361 15.999 > 16 32 O 0.07899722648181 0.56753425910209 0.78271874026361 15.999 > 16 33 O 0.79193885042931 0.28499370585189 0.40735953983064 15.999 > 17 34 O 0.79193885042931 0.78499370585189 0.40735953983064 15.999 > 17 *35 O 0.59469119340703 0.36785319830521 0.52790727725968 15.999 > 18 36 O 0.59469119340703 0.86785319830521 0.52790727725968 15.999 > 18 37 O 0.90530880659297 0.11785319830521 0.02790727725968 15.999 > 19 38 O 0.90530880659297 0.61785319830521 0.02790727725968 15.999 > 19 39 O 0.09469119340703 0.38214680169479 0.52790727725968 15.999 > 20 40 O 0.09469119340703 0.88214680169479 0.52790727725968 15.999 > 20 *41 O 0.88392504132726 0.41605263276447 0.95394828541052 15.999 > 21 42 O 0.88392504132726 0.91605263276447 0.95394828541052 15.999 > 21 43 O 0.11607495867274 0.08394736723553 0.45394828541052 15.999 > 22 44 O 0.11607495867274 0.58394736723553 0.45394828541052 15.999 > 22 45 O 0.38392504132726 0.33394736723553 0.95394828541052 15.999 > 23 46 O 0.38392504132726 0.83394736723553 0.95394828541052 15.999 > 23 47 O 0.61607495867274 0.16605263276447 0.45394828541052 15.999 > 24 48 O 0.61607495867274 0.66605263276447 0.45394828541052 15.999 > 24 *49 O 0.97128049632989 0.26645773978706 0.84216600397054 15.999 > 25 50 O 0.97128049632989 0.76645773978706 0.84216600397054 15.999 > 25 51 O 0.02871950367011 0.23354226021294 0.34216600397054 15.999 > 26 52 O 0.02871950367011 0.73354226021294 0.34216600397054 15.999 > 26 53 O 0.47128049632989 0.48354226021294 0.84216600397054 15.999 > 27 54 O 0.47128049632989 0.98354226021294 0.84216600397054 15.999 > 27 55 O 0.52871950367011 0.01645773978706 0.34216600397054 15.999 > 28 56 O 0.52871950367011 0.51645773978706 0.34216600397054 15.999 > 28 *57 O 0.51573078359508 0.45233373436626 0.08924682003312 15.999 > 29 58 O 0.51573078359508 0.95233373436626 0.08924682003312 15.999 > 29 59 O 0.48426921640492 0.04766626563374 0.58924682003312 15.999 > 30 60 O 0.48426921640492 0.54766626563374 0.58924682003312 15.999 > 30 61 O 0.01573078359508 0.29766626563374 0.08924682003312 15.999 > 31 62 O 0.01573078359508 0.79766626563374 0.08924682003312 15.999 > 31 63 O 0.98426921640492 0.20233373436626 0.58924682003312 15.999 > 32 64 O 0.98426921640492 0.70233373436626 0.58924682003312 15.999 > 32 *65 O 0.86839776304409 0.08310306687672 0.75737739208100 15.999 > 33 66 O 0.86839776304409 0.58310306687672 0.75737739208100 15.999 > 33 67 O 0.13160223695591 0.41689693312328 0.25737739208100 15.999 > 34 68 O 0.13160223695591 0.91689693312328 0.25737739208100 15.999 > 34 69 O 0.36839776304409 0.16689693312328 0.75737739208100 15.999 > 35 70 O 0.36839776304409 0.66689693312328 0.75737739208100 15.999 > 35 71 O 0.63160223695591 0.33310306687672 0.25737739208100 15.999 > 36 72 O 0.63160223695591 0.83310306687672 0.25737739208100 15.999 > 36 73 O 0.42100277351819 0.31753425910209 0.28271874026361 15.999 > 37 74 O 0.42100277351819 0.81753425910209 0.28271874026361 15.999 > 37 75 O 0.57899722648181 0.18246574089791 0.78271874026361 15.999 > 38 76 O 0.57899722648181 0.68246574089791 0.78271874026361 15.999 > 38 77 O 0.92100277351819 0.43246574089791 0.28271874026361 15.999 > 39 78 O 0.92100277351819 0.93246574089791 0.28271874026361 15.999 > 39 79 O 0.40530880659297 0.13214680169479 0.02790727725968 15.999 > 40 80 O 0.40530880659297 0.63214680169479 0.02790727725968 15.999 > 40 *81 Na 0.84179778216809 0.39984486962694 0.73219287516560 22.990 > 41 82 Na 0.84179778216809 0.89984486962694 0.73219287516560 22.990 > 41 *83 Na 0.39949057282736 0.13605603361398 0.41033018434377 22.990 > 42 84 Na 0.39949057282736 0.63605603361398 0.41033018434377 22.990 > 42 85 Na 0.89949057282736 0.11394396638602 0.41033018434377 22.990 > 43 86 Na 0.89949057282736 0.61394396638602 0.41033018434377 22.990 > 43 87 Na 0.60050942717264 0.36394396638602 0.91033018434377 22.990 > 44 88 Na 0.60050942717264 0.86394396638602 0.91033018434377 22.990 > 44 89 Na 0.65820221783191 0.14984486962694 0.23219287516560 22.990 > 45 90 Na 0.65820221783191 0.64984486962694 0.23219287516560 22.990 > 45 91 Na 0.34179778216809 0.35015513037306 0.73219287516560 22.990 > 46 92 Na 0.34179778216809 0.85015513037306 0.73219287516560 22.990 > 46 93 Na 0.15820221783191 0.10015513037306 0.23219287516560 22.990 > 47 94 Na 0.15820221783191 0.60015513037306 0.23219287516560 22.990 > 47 95 Na 0.10050942717264 0.38605603361398 0.91033018434377 22.990 > 48 96 Na 0.10050942717264 0.88605603361398 0.91033018434377 22.990 > 48 *97 Ge 0.01892066632592 0.34306265890918 0.24407522328643 72.640 > 49 98 Ge 0.01892066632592 0.84306265890918 0.24407522328643 72.640 > 49 99 Ge 0.48107933367408 0.09306265890918 0.74407522328643 72.640 > 50 100 Ge 0.48107933367408 0.59306265890918 0.74407522328643 72.640 > 50 101 Ge 0.51892066632592 0.40693734109082 0.24407522328643 72.640 > 51 102 Ge 0.51892066632592 0.90693734109082 0.24407522328643 72.640 > 51 *103 Ge 0.68739215342727 0.27058166834242 0.51041963516760 72.640 > 52 104 Ge 0.68739215342727 0.77058166834242 0.51041963516760 72.640 > 52 105 Ge 0.31260784657273 0.22941833165758 0.01041963516760 72.640 > 53 106 Ge 0.31260784657273 0.72941833165758 0.01041963516760 72.640 > 53 107 Ge 0.18739215342727 0.47941833165758 0.51041963516760 72.640 > 54 108 Ge 0.18739215342727 0.97941833165758 0.51041963516760 72.640 > 54 109 Ge 0.98107933367408 0.15693734109082 0.74407522328643 72.640 > 55 110 Ge 0.98107933367408 0.65693734109082 0.74407522328643 72.640 > 55 111 Ge 0.81260784657273 0.02058166834242 0.01041963516760 72.640 > 56 112 Ge 0.81260784657273 0.52058166834242 0.01041963516760 72.640 > 56 *113 Sb 0.72558980741349 0.13987586718244 0.77382030871956 121.760 > 57 114 Sb 0.72558980741349 0.63987586718244 0.77382030871956 121.760 > 57 115 Sb 0.27441019258651 0.36012413281756 0.27382030871956 121.760 > 58 116 Sb 0.27441019258651 0.86012413281756 0.27382030871956 121.760 > 58 117 Sb 0.22558980741349 0.11012413281756 0.77382030871956 121.760 > 59 118 Sb 0.22558980741349 0.61012413281756 0.77382030871956 121.760 > 59 *119 Sb 0.88541286386785 0.26707226292881 0.99940168287072 121.760 > 60 120 Sb 0.88541286386785 0.76707226292881 0.99940168287072 121.760 > 60 121 Sb 0.11458713613215 0.23292773707119 0.49940168287073 121.760 > 61 122 Sb 0.11458713613215 0.73292773707119 0.49940168287073 121.760 > 61 123 Sb 0.38541286386785 0.48292773707119 0.99940168287072 121.760 > 62 124 Sb 0.38541286386785 0.98292773707119 0.99940168287072 121.760 > 62 125 Sb 0.61458713613215 0.01707226292881 0.49940168287073 121.760 > 63 126 Sb 0.61458713613215 0.51707226292881 0.49940168287073 121.760 > 63 127 Sb 0.77441019258651 0.38987586718244 0.27382030871956 121.760 > 64 128 Sb 0.77441019258651 0.88987586718244 0.27382030871956 121.760 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1236097 0.0000000 0.0000000 0.0000000 3.1184643 0.0000000 0.0000000 0.0000000 3.3351940 -------------------------- Born effective charges -------------------------- 1 O -1.5243995 -0.1082717 0.5941300 -0.2201407 -1.6116412 0.6433363 0.5080292 0.6192994 -2.4293512 2 O -1.5243995 -0.1082717 -0.5941300 -0.2201407 -1.6116412 -0.6433363 -0.5080292 -0.6192994 -2.4293512 3 O -1.5243995 0.1082717 0.5941300 0.2201407 -1.6116412 -0.6433363 0.5080292 -0.6192994 -2.4293512 4 O -1.5243995 0.1082717 -0.5941300 0.2201407 -1.6116412 0.6433363 -0.5080292 0.6192994 -2.4293512 5 O -1.7131694 -0.1735464 -0.5792610 -0.3338621 -1.7410542 -0.5975588 -0.7065441 -0.5582655 -2.0624453 6 O -1.7131694 -0.1735464 0.5792610 -0.3338621 -1.7410542 0.5975588 0.7065441 0.5582655 -2.0624453 7 O -1.7131694 0.1735464 -0.5792610 0.3338621 -1.7410542 0.5975588 -0.7065441 0.5582655 -2.0624453 8 O -1.7131694 0.1735464 0.5792610 0.3338621 -1.7410542 -0.5975588 0.7065441 -0.5582655 -2.0624453 9 O -1.3069110 0.0034662 0.4284147 -0.0504804 -1.6989284 -0.7276720 0.4211796 -0.6995547 -2.5024007 10 O -1.3069110 0.0034662 -0.4284147 -0.0504804 -1.6989284 0.7276720 -0.4211796 0.6995547 -2.5024007 11 O -1.3069110 -0.0034662 0.4284147 0.0504804 -1.6989284 0.7276720 0.4211796 0.6995547 -2.5024007 12 O -1.3069110 -0.0034662 -0.4284147 0.0504804 -1.6989284 -0.7276720 -0.4211796 -0.6995547 -2.5024007 13 O -1.5075465 0.0126433 -0.4223304 0.0596724 -1.6349903 0.6659576 -0.5496683 0.5911218 -2.1810910 14 O -1.5075465 0.0126433 0.4223304 0.0596724 -1.6349903 -0.6659576 0.5496683 -0.5911218 -2.1810910 15 O -1.5075465 -0.0126433 -0.4223304 -0.0596724 -1.6349903 -0.6659576 -0.5496683 -0.5911218 -2.1810910 16 O -2.7494606 0.3777399 -0.1142270 0.3706577 -1.3626621 0.1555061 0.0128276 0.1359673 -1.2346563 17 O -1.5075465 -0.0126433 0.4223304 -0.0596724 -1.6349903 0.6659576 0.5496683 0.5911218 -2.1810910 18 O -1.2291409 0.4299147 -0.0343484 0.5433895 -2.6981297 0.0756063 0.0766154 0.0651986 -1.2950255 19 O -1.2291409 -0.4299147 0.0343484 -0.5433895 -2.6981297 0.0756063 -0.0766154 0.0651986 -1.2950255 20 O -1.2291409 -0.4299147 -0.0343484 -0.5433895 -2.6981297 -0.0756063 0.0766154 -0.0651986 -1.2950255 21 O -1.2248275 0.5006803 0.1302207 0.5038632 -2.8861295 -0.0771589 -0.0071328 0.0716120 -1.3763998 22 O -1.2248275 0.5006803 -0.1302207 0.5038632 -2.8861295 0.0771589 0.0071328 -0.0716120 -1.3763998 23 O -1.2248275 -0.5006803 0.1302207 -0.5038632 -2.8861295 0.0771589 -0.0071328 -0.0716120 -1.3763998 24 O -1.2248275 -0.5006803 -0.1302207 -0.5038632 -2.8861295 -0.0771589 0.0071328 0.0716120 -1.3763998 25 O -1.6338536 0.1813197 0.7160455 0.0899121 -1.5608578 -0.5253707 0.4461810 -0.6764702 -2.2430409 26 O -1.6338536 0.1813197 -0.7160455 0.0899121 -1.5608578 0.5253707 -0.4461810 0.6764702 -2.2430409 27 O -1.6338536 -0.1813197 0.7160455 -0.0899121 -1.5608578 0.5253707 0.4461810 0.6764702 -2.2430409 28 O -1.6338536 -0.1813197 -0.7160455 -0.0899121 -1.5608578 -0.5253707 -0.4461810 -0.6764702 -2.2430409 29 O -1.8381544 0.2345162 -0.7137826 0.0879174 -1.1391935 0.3616721 -0.5509709 0.3965144 -2.3540518 30 O -1.8381544 0.2345162 0.7137826 0.0879174 -1.1391935 -0.3616721 0.5509709 -0.3965144 -2.3540518 31 O -1.8381544 -0.2345162 -0.7137826 -0.0879174 -1.1391935 -0.3616721 -0.5509709 -0.3965144 -2.3540518 32 O -1.8381544 -0.2345162 0.7137826 -0.0879174 -1.1391935 0.3616721 0.5509709 0.3965144 -2.3540518 33 O -2.7570331 -0.1578948 0.2630692 -0.3202891 -1.3298631 0.0785890 0.1378222 0.0146741 -1.3447713 34 O -2.7570331 -0.1578948 -0.2630692 -0.3202891 -1.3298631 -0.0785890 -0.1378222 -0.0146741 -1.3447713 35 O -2.7570331 0.1578948 0.2630692 0.3202891 -1.3298631 -0.0785890 0.1378222 -0.0146741 -1.3447713 36 O -2.7570331 0.1578948 -0.2630692 0.3202891 -1.3298631 0.0785890 -0.1378222 0.0146741 -1.3447713 37 O -2.7494606 -0.3777399 0.1142270 -0.3706577 -1.3626621 0.1555061 -0.0128276 0.1359673 -1.2346563 38 O -2.7494606 -0.3777399 -0.1142270 -0.3706577 -1.3626621 -0.1555061 0.0128276 -0.1359673 -1.2346563 39 O -2.7494606 0.3777399 0.1142270 0.3706577 -1.3626621 -0.1555061 -0.0128276 -0.1359673 -1.2346563 40 O -1.2291409 0.4299147 0.0343484 0.5433895 -2.6981297 -0.0756063 -0.0766154 -0.0651986 -1.2950255 41 Na 1.0077823 -0.0210505 0.0760776 -0.0440707 1.3668199 -0.0023762 0.1171678 0.0143223 1.1103173 42 Na 1.3057525 -0.0615168 0.0722207 -0.0833785 1.2679030 -0.0898619 0.0852818 -0.1027436 1.0700366 43 Na 1.3057525 0.0615168 0.0722207 0.0833785 1.2679030 0.0898619 0.0852818 0.1027436 1.0700366 44 Na 1.3057525 -0.0615168 -0.0722207 -0.0833785 1.2679030 0.0898619 -0.0852818 0.1027436 1.0700366 45 Na 1.0077823 0.0210505 -0.0760776 0.0440707 1.3668199 -0.0023762 -0.1171678 0.0143223 1.1103173 46 Na 1.0077823 0.0210505 0.0760776 0.0440707 1.3668199 0.0023762 0.1171678 -0.0143223 1.1103173 47 Na 1.0077823 -0.0210505 -0.0760776 -0.0440707 1.3668199 0.0023762 -0.1171678 -0.0143223 1.1103173 48 Na 1.3057525 0.0615168 -0.0722207 0.0833785 1.2679030 -0.0898619 -0.0852818 -0.1027436 1.0700366 49 Ge 3.9323878 -0.2933128 0.9241444 -0.0715162 2.4001585 0.1301474 0.3118846 -0.2783045 3.3018250 50 Ge 3.9323878 0.2933128 -0.9241444 0.0715162 2.4001585 0.1301474 -0.3118846 -0.2783045 3.3018250 51 Ge 3.9323878 0.2933128 0.9241444 0.0715162 2.4001585 -0.1301474 0.3118846 0.2783045 3.3018250 52 Ge 2.4600840 0.0173587 0.1682359 -0.0785549 3.8410864 -0.5843339 -0.0947253 -0.4953116 3.4552854 53 Ge 2.4600840 0.0173587 -0.1682359 -0.0785549 3.8410864 0.5843339 0.0947253 0.4953116 3.4552854 54 Ge 2.4600840 -0.0173587 0.1682359 0.0785549 3.8410864 0.5843339 -0.0947253 0.4953116 3.4552854 55 Ge 3.9323878 -0.2933128 -0.9241444 -0.0715162 2.4001585 -0.1301474 -0.3118846 0.2783045 3.3018250 56 Ge 2.4600840 -0.0173587 -0.1682359 0.0785549 3.8410864 -0.5843339 0.0947253 -0.4953116 3.4552854 57 Sb 4.8109178 -0.2128255 1.0051783 0.8056610 3.9251284 -0.0951339 0.3110680 -0.0025379 4.9778693 58 Sb 4.8109178 -0.2128255 -1.0051783 0.8056610 3.9251284 0.0951339 -0.3110680 0.0025379 4.9778693 59 Sb 4.8109178 0.2128255 1.0051783 -0.8056610 3.9251284 0.0951339 0.3110680 0.0025379 4.9778693 60 Sb 3.9675721 0.2053300 -0.1729066 0.0385150 4.8623534 0.8865222 0.5200331 0.5231307 5.1079002 61 Sb 3.9675721 0.2053300 0.1729066 0.0385150 4.8623534 -0.8865222 -0.5200331 -0.5231307 5.1079002 62 Sb 3.9675721 -0.2053300 -0.1729066 -0.0385150 4.8623534 -0.8865222 0.5200331 -0.5231307 5.1079002 63 Sb 3.9675721 -0.2053300 0.1729066 -0.0385150 4.8623534 0.8865222 -0.5200331 0.5231307 5.1079002 64 Sb 4.8109178 0.2128255 -1.0051783 -0.8056610 3.9251284 -0.0951339 -0.3110680 -0.0025379 4.9778693 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (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) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 225 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 77 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 270 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 230 eigenvectors found. (2) Block: 548 / 548 (2) 282 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 528), data: False |-- (548, 16), data: (548, 36) @ (36, 16) |-- (298, 282), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 222), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 520), data: False |-- (548, 18), data: (548, 46) @ (46, 18) |-- (298, 270), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 77), data: (2048, 109) @ (109, 77) |-- (548, 523), data: False |-- (548, 24), data: (548, 49) @ (49, 24) |-- (298, 274), data: True |-- (250, 225), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 230), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1920 - Time: 4.409 Solver_block: 200 / 1920 - Time: 3.131 Solver_block: 300 / 1920 - Time: 3.617 Solver_block: 400 / 1920 - Time: 4.653 Solver_block: 500 / 1920 - Time: 4.427 Solver_block: 600 / 1920 - Time: 4.853 Solver_block: 700 / 1920 - Time: 4.855 Solver_block: 800 / 1920 - Time: 4.494 Solver_block: 900 / 1920 - Time: 4.346 Solver_block: 1000 / 1920 - Time: 5.444 Solver_block: 1100 / 1920 - Time: 5.500 Solver_block: 1200 / 1920 - Time: 5.491 Solver_block: 1300 / 1920 - Time: 6.253 Solver_block: 1400 / 1920 - Time: 6.131 Solver_block: 1500 / 1920 - Time: 5.332 Solver_block: 1600 / 1920 - Time: 4.997 Solver_block: 1700 / 1920 - Time: 4.117 Solver_block: 1800 / 1920 - Time: 4.687 Solver_block: 1900 / 1920 - Time: 5.505 Solver_block: 1920 / 1920 - Time: 1.490 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 98.219 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (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) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 225 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 77 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 270 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 230 eigenvectors found. (2) Block: 548 / 548 (2) 282 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 528), data: False |-- (548, 16), data: (548, 36) @ (36, 16) |-- (298, 282), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 222), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 520), data: False |-- (548, 18), data: (548, 46) @ (46, 18) |-- (298, 270), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 77), data: (2048, 109) @ (109, 77) |-- (548, 523), data: False |-- (548, 24), data: (548, 49) @ (49, 24) |-- (298, 274), data: True |-- (250, 225), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 230), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:56:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:56:07]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.438225590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): 1 O 0.30550775656173 0.94608003500418 0.15430113455205 15.999 2 O 0.69449224343827 0.05391996499582 0.65430113455205 15.999 3 O 0.80550775656173 0.55391996499582 0.15430113455205 15.999 4 O 0.19449224343827 0.44608003500418 0.65430113455205 15.999 5 O 0.75670107324739 0.49872935252996 0.89990257390776 15.999 6 O 0.24329892675261 0.50127064747004 0.39990257390776 15.999 7 O 0.25670107324739 0.00127064747004 0.89990257390776 15.999 8 O 0.74329892675261 0.99872935252996 0.39990257390776 15.999 9 O 0.24645426619945 0.49701247155689 0.15125230313736 15.999 10 O 0.75354573380055 0.50298752844311 0.65125230313736 15.999 11 O 0.74645426619945 0.00298752844311 0.15125230313736 15.999 12 O 0.25354573380055 0.99701247155689 0.65125230313736 15.999 13 O 0.70806114957069 0.06998741170377 0.90735953983064 15.999 14 O 0.29193885042931 0.93001258829623 0.40735953983064 15.999 15 O 0.20806114957069 0.43001258829623 0.90735953983064 15.999 16 O 0.07899722648181 0.13506851820417 0.78271874026361 15.999 17 O 0.79193885042931 0.56998741170377 0.40735953983064 15.999 18 O 0.59469119340703 0.73570639661042 0.52790727725968 15.999 19 O 0.90530880659297 0.23570639661042 0.02790727725968 15.999 20 O 0.09469119340703 0.76429360338958 0.52790727725968 15.999 21 O 0.88392504132726 0.83210526552895 0.95394828541052 15.999 22 O 0.11607495867274 0.16789473447105 0.45394828541052 15.999 23 O 0.38392504132726 0.66789473447105 0.95394828541052 15.999 24 O 0.61607495867274 0.33210526552894 0.45394828541052 15.999 25 O 0.97128049632989 0.53291547957413 0.84216600397054 15.999 26 O 0.02871950367011 0.46708452042587 0.34216600397054 15.999 27 O 0.47128049632989 0.96708452042587 0.84216600397054 15.999 28 O 0.52871950367011 0.03291547957413 0.34216600397054 15.999 29 O 0.51573078359508 0.90466746873252 0.08924682003312 15.999 30 O 0.48426921640492 0.09533253126749 0.58924682003312 15.999 31 O 0.01573078359508 0.59533253126748 0.08924682003312 15.999 32 O 0.98426921640492 0.40466746873251 0.58924682003312 15.999 33 O 0.86839776304409 0.16620613375343 0.75737739208100 15.999 34 O 0.13160223695591 0.83379386624657 0.25737739208100 15.999 35 O 0.36839776304409 0.33379386624656 0.75737739208100 15.999 36 O 0.63160223695591 0.66620613375343 0.25737739208100 15.999 37 O 0.42100277351819 0.63506851820417 0.28271874026361 15.999 38 O 0.57899722648181 0.36493148179583 0.78271874026361 15.999 39 O 0.92100277351819 0.86493148179583 0.28271874026361 15.999 40 O 0.40530880659297 0.26429360338958 0.02790727725968 15.999 41 Na 0.84179778216809 0.79968973925387 0.73219287516560 22.990 42 Na 0.39949057282736 0.27211206722797 0.41033018434377 22.990 43 Na 0.89949057282736 0.22788793277203 0.41033018434377 22.990 44 Na 0.60050942717264 0.72788793277203 0.91033018434377 22.990 45 Na 0.65820221783191 0.29968973925387 0.23219287516560 22.990 46 Na 0.34179778216809 0.70031026074613 0.73219287516560 22.990 47 Na 0.15820221783191 0.20031026074613 0.23219287516560 22.990 48 Na 0.10050942717264 0.77211206722797 0.91033018434377 22.990 49 Ge 0.01892066632592 0.68612531781835 0.24407522328643 72.640 50 Ge 0.48107933367408 0.18612531781835 0.74407522328643 72.640 51 Ge 0.51892066632592 0.81387468218165 0.24407522328643 72.640 52 Ge 0.68739215342727 0.54116333668484 0.51041963516760 72.640 53 Ge 0.31260784657273 0.45883666331516 0.01041963516760 72.640 54 Ge 0.18739215342727 0.95883666331516 0.51041963516760 72.640 55 Ge 0.98107933367408 0.31387468218165 0.74407522328643 72.640 56 Ge 0.81260784657273 0.04116333668484 0.01041963516760 72.640 57 Sb 0.72558980741349 0.27975173436488 0.77382030871956 121.760 58 Sb 0.27441019258651 0.72024826563512 0.27382030871956 121.760 59 Sb 0.22558980741349 0.22024826563512 0.77382030871956 121.760 60 Sb 0.88541286386785 0.53414452585762 0.99940168287072 121.760 61 Sb 0.11458713613215 0.46585547414238 0.49940168287073 121.760 62 Sb 0.38541286386785 0.96585547414238 0.99940168287072 121.760 63 Sb 0.61458713613215 0.03414452585762 0.49940168287073 121.760 64 Sb 0.77441019258651 0.77975173436488 0.27382030871956 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.876451180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): 1 O 0.30550775656173 0.47304001750209 0.15430113455205 15.999 > 1 2 O 0.30550775656173 0.97304001750209 0.15430113455205 15.999 > 1 3 O 0.69449224343827 0.02695998249791 0.65430113455205 15.999 > 3 4 O 0.69449224343827 0.52695998249791 0.65430113455205 15.999 > 3 5 O 0.80550775656173 0.27695998249791 0.15430113455205 15.999 > 5 6 O 0.80550775656173 0.77695998249791 0.15430113455205 15.999 > 5 7 O 0.19449224343827 0.22304001750209 0.65430113455205 15.999 > 7 8 O 0.19449224343827 0.72304001750209 0.65430113455205 15.999 > 7 9 O 0.75670107324739 0.24936467626498 0.89990257390776 15.999 > 9 10 O 0.75670107324739 0.74936467626498 0.89990257390776 15.999 > 9 11 O 0.24329892675261 0.25063532373502 0.39990257390776 15.999 > 11 12 O 0.24329892675261 0.75063532373502 0.39990257390776 15.999 > 11 13 O 0.25670107324739 0.00063532373502 0.89990257390776 15.999 > 13 14 O 0.25670107324739 0.50063532373502 0.89990257390776 15.999 > 13 15 O 0.74329892675261 0.49936467626498 0.39990257390776 15.999 > 15 16 O 0.74329892675261 0.99936467626498 0.39990257390776 15.999 > 15 17 O 0.24645426619945 0.24850623577844 0.15125230313736 15.999 > 17 18 O 0.24645426619945 0.74850623577844 0.15125230313736 15.999 > 17 19 O 0.75354573380055 0.25149376422156 0.65125230313736 15.999 > 19 20 O 0.75354573380055 0.75149376422156 0.65125230313736 15.999 > 19 21 O 0.74645426619945 0.00149376422156 0.15125230313736 15.999 > 21 22 O 0.74645426619945 0.50149376422156 0.15125230313736 15.999 > 21 23 O 0.25354573380055 0.49850623577844 0.65125230313736 15.999 > 23 24 O 0.25354573380055 0.99850623577844 0.65125230313736 15.999 > 23 25 O 0.70806114957069 0.03499370585189 0.90735953983064 15.999 > 25 26 O 0.70806114957069 0.53499370585189 0.90735953983064 15.999 > 25 27 O 0.29193885042931 0.46500629414811 0.40735953983064 15.999 > 27 28 O 0.29193885042931 0.96500629414811 0.40735953983064 15.999 > 27 29 O 0.20806114957069 0.21500629414811 0.90735953983064 15.999 > 29 30 O 0.20806114957069 0.71500629414811 0.90735953983064 15.999 > 29 31 O 0.07899722648181 0.06753425910209 0.78271874026361 15.999 > 31 32 O 0.07899722648181 0.56753425910209 0.78271874026361 15.999 > 31 33 O 0.79193885042931 0.28499370585189 0.40735953983064 15.999 > 33 34 O 0.79193885042931 0.78499370585189 0.40735953983064 15.999 > 33 35 O 0.59469119340703 0.36785319830521 0.52790727725968 15.999 > 35 36 O 0.59469119340703 0.86785319830521 0.52790727725968 15.999 > 35 37 O 0.90530880659297 0.11785319830521 0.02790727725968 15.999 > 37 38 O 0.90530880659297 0.61785319830521 0.02790727725968 15.999 > 37 39 O 0.09469119340703 0.38214680169479 0.52790727725968 15.999 > 39 40 O 0.09469119340703 0.88214680169479 0.52790727725968 15.999 > 39 41 O 0.88392504132726 0.41605263276447 0.95394828541052 15.999 > 41 42 O 0.88392504132726 0.91605263276447 0.95394828541052 15.999 > 41 43 O 0.11607495867274 0.08394736723553 0.45394828541052 15.999 > 43 44 O 0.11607495867274 0.58394736723553 0.45394828541052 15.999 > 43 45 O 0.38392504132726 0.33394736723553 0.95394828541052 15.999 > 45 46 O 0.38392504132726 0.83394736723553 0.95394828541052 15.999 > 45 47 O 0.61607495867274 0.16605263276447 0.45394828541052 15.999 > 47 48 O 0.61607495867274 0.66605263276447 0.45394828541052 15.999 > 47 49 O 0.97128049632989 0.26645773978706 0.84216600397054 15.999 > 49 50 O 0.97128049632989 0.76645773978706 0.84216600397054 15.999 > 49 51 O 0.02871950367011 0.23354226021294 0.34216600397054 15.999 > 51 52 O 0.02871950367011 0.73354226021294 0.34216600397054 15.999 > 51 53 O 0.47128049632989 0.48354226021294 0.84216600397054 15.999 > 53 54 O 0.47128049632989 0.98354226021294 0.84216600397054 15.999 > 53 55 O 0.52871950367011 0.01645773978706 0.34216600397054 15.999 > 55 56 O 0.52871950367011 0.51645773978706 0.34216600397054 15.999 > 55 57 O 0.51573078359508 0.45233373436626 0.08924682003312 15.999 > 57 58 O 0.51573078359508 0.95233373436626 0.08924682003312 15.999 > 57 59 O 0.48426921640492 0.04766626563374 0.58924682003312 15.999 > 59 60 O 0.48426921640492 0.54766626563374 0.58924682003312 15.999 > 59 61 O 0.01573078359508 0.29766626563374 0.08924682003312 15.999 > 61 62 O 0.01573078359508 0.79766626563374 0.08924682003312 15.999 > 61 63 O 0.98426921640492 0.20233373436626 0.58924682003312 15.999 > 63 64 O 0.98426921640492 0.70233373436626 0.58924682003312 15.999 > 63 65 O 0.86839776304409 0.08310306687672 0.75737739208100 15.999 > 65 66 O 0.86839776304409 0.58310306687672 0.75737739208100 15.999 > 65 67 O 0.13160223695591 0.41689693312328 0.25737739208100 15.999 > 67 68 O 0.13160223695591 0.91689693312328 0.25737739208100 15.999 > 67 69 O 0.36839776304409 0.16689693312328 0.75737739208100 15.999 > 69 70 O 0.36839776304409 0.66689693312328 0.75737739208100 15.999 > 69 71 O 0.63160223695591 0.33310306687672 0.25737739208100 15.999 > 71 72 O 0.63160223695591 0.83310306687672 0.25737739208100 15.999 > 71 73 O 0.42100277351819 0.31753425910209 0.28271874026361 15.999 > 73 74 O 0.42100277351819 0.81753425910209 0.28271874026361 15.999 > 73 75 O 0.57899722648181 0.18246574089791 0.78271874026361 15.999 > 75 76 O 0.57899722648181 0.68246574089791 0.78271874026361 15.999 > 75 77 O 0.92100277351819 0.43246574089791 0.28271874026361 15.999 > 77 78 O 0.92100277351819 0.93246574089791 0.28271874026361 15.999 > 77 79 O 0.40530880659297 0.13214680169479 0.02790727725968 15.999 > 79 80 O 0.40530880659297 0.63214680169479 0.02790727725968 15.999 > 79 81 Na 0.84179778216809 0.39984486962694 0.73219287516560 22.990 > 81 82 Na 0.84179778216809 0.89984486962694 0.73219287516560 22.990 > 81 83 Na 0.39949057282736 0.13605603361398 0.41033018434377 22.990 > 83 84 Na 0.39949057282736 0.63605603361398 0.41033018434377 22.990 > 83 85 Na 0.89949057282736 0.11394396638602 0.41033018434377 22.990 > 85 86 Na 0.89949057282736 0.61394396638602 0.41033018434377 22.990 > 85 87 Na 0.60050942717264 0.36394396638602 0.91033018434377 22.990 > 87 88 Na 0.60050942717264 0.86394396638602 0.91033018434377 22.990 > 87 89 Na 0.65820221783191 0.14984486962694 0.23219287516560 22.990 > 89 90 Na 0.65820221783191 0.64984486962694 0.23219287516560 22.990 > 89 91 Na 0.34179778216809 0.35015513037306 0.73219287516560 22.990 > 91 92 Na 0.34179778216809 0.85015513037306 0.73219287516560 22.990 > 91 93 Na 0.15820221783191 0.10015513037306 0.23219287516560 22.990 > 93 94 Na 0.15820221783191 0.60015513037306 0.23219287516560 22.990 > 93 95 Na 0.10050942717264 0.38605603361398 0.91033018434377 22.990 > 95 96 Na 0.10050942717264 0.88605603361398 0.91033018434377 22.990 > 95 97 Ge 0.01892066632592 0.34306265890918 0.24407522328643 72.640 > 97 98 Ge 0.01892066632592 0.84306265890918 0.24407522328643 72.640 > 97 99 Ge 0.48107933367408 0.09306265890918 0.74407522328643 72.640 > 99 100 Ge 0.48107933367408 0.59306265890918 0.74407522328643 72.640 > 99 101 Ge 0.51892066632592 0.40693734109082 0.24407522328643 72.640 > 101 102 Ge 0.51892066632592 0.90693734109082 0.24407522328643 72.640 > 101 103 Ge 0.68739215342727 0.27058166834242 0.51041963516760 72.640 > 103 104 Ge 0.68739215342727 0.77058166834242 0.51041963516760 72.640 > 103 105 Ge 0.31260784657273 0.22941833165758 0.01041963516760 72.640 > 105 106 Ge 0.31260784657273 0.72941833165758 0.01041963516760 72.640 > 105 107 Ge 0.18739215342727 0.47941833165758 0.51041963516760 72.640 > 107 108 Ge 0.18739215342727 0.97941833165758 0.51041963516760 72.640 > 107 109 Ge 0.98107933367408 0.15693734109082 0.74407522328643 72.640 > 109 110 Ge 0.98107933367408 0.65693734109082 0.74407522328643 72.640 > 109 111 Ge 0.81260784657273 0.02058166834242 0.01041963516760 72.640 > 111 112 Ge 0.81260784657273 0.52058166834242 0.01041963516760 72.640 > 111 113 Sb 0.72558980741349 0.13987586718244 0.77382030871956 121.760 > 113 114 Sb 0.72558980741349 0.63987586718244 0.77382030871956 121.760 > 113 115 Sb 0.27441019258651 0.36012413281756 0.27382030871956 121.760 > 115 116 Sb 0.27441019258651 0.86012413281756 0.27382030871956 121.760 > 115 117 Sb 0.22558980741349 0.11012413281756 0.77382030871956 121.760 > 117 118 Sb 0.22558980741349 0.61012413281756 0.77382030871956 121.760 > 117 119 Sb 0.88541286386785 0.26707226292881 0.99940168287072 121.760 > 119 120 Sb 0.88541286386785 0.76707226292881 0.99940168287072 121.760 > 119 121 Sb 0.11458713613215 0.23292773707119 0.49940168287073 121.760 > 121 122 Sb 0.11458713613215 0.73292773707119 0.49940168287073 121.760 > 121 123 Sb 0.38541286386785 0.48292773707119 0.99940168287072 121.760 > 123 124 Sb 0.38541286386785 0.98292773707119 0.99940168287072 121.760 > 123 125 Sb 0.61458713613215 0.01707226292881 0.49940168287073 121.760 > 125 126 Sb 0.61458713613215 0.51707226292881 0.49940168287073 121.760 > 125 127 Sb 0.77441019258651 0.38987586718244 0.27382030871956 121.760 > 127 128 Sb 0.77441019258651 0.88987586718244 0.27382030871956 121.760 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1236097 0.0000000 0.0000000 0.0000000 3.1184643 0.0000000 0.0000000 0.0000000 3.3351940 -------------------------- Born effective charges -------------------------- 1 O -1.5243995 -0.1082717 0.5941300 -0.2201407 -1.6116412 0.6433363 0.5080292 0.6192994 -2.4293512 2 O -1.5243995 -0.1082717 -0.5941300 -0.2201407 -1.6116412 -0.6433363 -0.5080292 -0.6192994 -2.4293512 3 O -1.5243995 0.1082717 0.5941300 0.2201407 -1.6116412 -0.6433363 0.5080292 -0.6192994 -2.4293512 4 O -1.5243995 0.1082717 -0.5941300 0.2201407 -1.6116412 0.6433363 -0.5080292 0.6192994 -2.4293512 5 O -1.7131694 -0.1735464 -0.5792610 -0.3338621 -1.7410542 -0.5975588 -0.7065441 -0.5582655 -2.0624453 6 O -1.7131694 -0.1735464 0.5792610 -0.3338621 -1.7410542 0.5975588 0.7065441 0.5582655 -2.0624453 7 O -1.7131694 0.1735464 -0.5792610 0.3338621 -1.7410542 0.5975588 -0.7065441 0.5582655 -2.0624453 8 O -1.7131694 0.1735464 0.5792610 0.3338621 -1.7410542 -0.5975588 0.7065441 -0.5582655 -2.0624453 9 O -1.3069110 0.0034662 0.4284147 -0.0504804 -1.6989284 -0.7276720 0.4211796 -0.6995547 -2.5024007 10 O -1.3069110 0.0034662 -0.4284147 -0.0504804 -1.6989284 0.7276720 -0.4211796 0.6995547 -2.5024007 11 O -1.3069110 -0.0034662 0.4284147 0.0504804 -1.6989284 0.7276720 0.4211796 0.6995547 -2.5024007 12 O -1.3069110 -0.0034662 -0.4284147 0.0504804 -1.6989284 -0.7276720 -0.4211796 -0.6995547 -2.5024007 13 O -1.5075465 0.0126433 -0.4223304 0.0596724 -1.6349903 0.6659576 -0.5496683 0.5911218 -2.1810910 14 O -1.5075465 0.0126433 0.4223304 0.0596724 -1.6349903 -0.6659576 0.5496683 -0.5911218 -2.1810910 15 O -1.5075465 -0.0126433 -0.4223304 -0.0596724 -1.6349903 -0.6659576 -0.5496683 -0.5911218 -2.1810910 16 O -2.7494606 0.3777399 -0.1142270 0.3706577 -1.3626621 0.1555061 0.0128276 0.1359673 -1.2346563 17 O -1.5075465 -0.0126433 0.4223304 -0.0596724 -1.6349903 0.6659576 0.5496683 0.5911218 -2.1810910 18 O -1.2291409 0.4299147 -0.0343484 0.5433895 -2.6981297 0.0756063 0.0766154 0.0651986 -1.2950255 19 O -1.2291409 -0.4299147 0.0343484 -0.5433895 -2.6981297 0.0756063 -0.0766154 0.0651986 -1.2950255 20 O -1.2291409 -0.4299147 -0.0343484 -0.5433895 -2.6981297 -0.0756063 0.0766154 -0.0651986 -1.2950255 21 O -1.2248275 0.5006803 0.1302207 0.5038632 -2.8861295 -0.0771589 -0.0071328 0.0716120 -1.3763998 22 O -1.2248275 0.5006803 -0.1302207 0.5038632 -2.8861295 0.0771589 0.0071328 -0.0716120 -1.3763998 23 O -1.2248275 -0.5006803 0.1302207 -0.5038632 -2.8861295 0.0771589 -0.0071328 -0.0716120 -1.3763998 24 O -1.2248275 -0.5006803 -0.1302207 -0.5038632 -2.8861295 -0.0771589 0.0071328 0.0716120 -1.3763998 25 O -1.6338536 0.1813197 0.7160455 0.0899121 -1.5608578 -0.5253707 0.4461810 -0.6764702 -2.2430409 26 O -1.6338536 0.1813197 -0.7160455 0.0899121 -1.5608578 0.5253707 -0.4461810 0.6764702 -2.2430409 27 O -1.6338536 -0.1813197 0.7160455 -0.0899121 -1.5608578 0.5253707 0.4461810 0.6764702 -2.2430409 28 O -1.6338536 -0.1813197 -0.7160455 -0.0899121 -1.5608578 -0.5253707 -0.4461810 -0.6764702 -2.2430409 29 O -1.8381544 0.2345162 -0.7137826 0.0879174 -1.1391935 0.3616721 -0.5509709 0.3965144 -2.3540518 30 O -1.8381544 0.2345162 0.7137826 0.0879174 -1.1391935 -0.3616721 0.5509709 -0.3965144 -2.3540518 31 O -1.8381544 -0.2345162 -0.7137826 -0.0879174 -1.1391935 -0.3616721 -0.5509709 -0.3965144 -2.3540518 32 O -1.8381544 -0.2345162 0.7137826 -0.0879174 -1.1391935 0.3616721 0.5509709 0.3965144 -2.3540518 33 O -2.7570331 -0.1578948 0.2630692 -0.3202891 -1.3298631 0.0785890 0.1378222 0.0146741 -1.3447713 34 O -2.7570331 -0.1578948 -0.2630692 -0.3202891 -1.3298631 -0.0785890 -0.1378222 -0.0146741 -1.3447713 35 O -2.7570331 0.1578948 0.2630692 0.3202891 -1.3298631 -0.0785890 0.1378222 -0.0146741 -1.3447713 36 O -2.7570331 0.1578948 -0.2630692 0.3202891 -1.3298631 0.0785890 -0.1378222 0.0146741 -1.3447713 37 O -2.7494606 -0.3777399 0.1142270 -0.3706577 -1.3626621 0.1555061 -0.0128276 0.1359673 -1.2346563 38 O -2.7494606 -0.3777399 -0.1142270 -0.3706577 -1.3626621 -0.1555061 0.0128276 -0.1359673 -1.2346563 39 O -2.7494606 0.3777399 0.1142270 0.3706577 -1.3626621 -0.1555061 -0.0128276 -0.1359673 -1.2346563 40 O -1.2291409 0.4299147 0.0343484 0.5433895 -2.6981297 -0.0756063 -0.0766154 -0.0651986 -1.2950255 41 Na 1.0077823 -0.0210505 0.0760776 -0.0440707 1.3668199 -0.0023762 0.1171678 0.0143223 1.1103173 42 Na 1.3057525 -0.0615168 0.0722207 -0.0833785 1.2679030 -0.0898619 0.0852818 -0.1027436 1.0700366 43 Na 1.3057525 0.0615168 0.0722207 0.0833785 1.2679030 0.0898619 0.0852818 0.1027436 1.0700366 44 Na 1.3057525 -0.0615168 -0.0722207 -0.0833785 1.2679030 0.0898619 -0.0852818 0.1027436 1.0700366 45 Na 1.0077823 0.0210505 -0.0760776 0.0440707 1.3668199 -0.0023762 -0.1171678 0.0143223 1.1103173 46 Na 1.0077823 0.0210505 0.0760776 0.0440707 1.3668199 0.0023762 0.1171678 -0.0143223 1.1103173 47 Na 1.0077823 -0.0210505 -0.0760776 -0.0440707 1.3668199 0.0023762 -0.1171678 -0.0143223 1.1103173 48 Na 1.3057525 0.0615168 -0.0722207 0.0833785 1.2679030 -0.0898619 -0.0852818 -0.1027436 1.0700366 49 Ge 3.9323878 -0.2933128 0.9241444 -0.0715162 2.4001585 0.1301474 0.3118846 -0.2783045 3.3018250 50 Ge 3.9323878 0.2933128 -0.9241444 0.0715162 2.4001585 0.1301474 -0.3118846 -0.2783045 3.3018250 51 Ge 3.9323878 0.2933128 0.9241444 0.0715162 2.4001585 -0.1301474 0.3118846 0.2783045 3.3018250 52 Ge 2.4600840 0.0173587 0.1682359 -0.0785549 3.8410864 -0.5843339 -0.0947253 -0.4953116 3.4552854 53 Ge 2.4600840 0.0173587 -0.1682359 -0.0785549 3.8410864 0.5843339 0.0947253 0.4953116 3.4552854 54 Ge 2.4600840 -0.0173587 0.1682359 0.0785549 3.8410864 0.5843339 -0.0947253 0.4953116 3.4552854 55 Ge 3.9323878 -0.2933128 -0.9241444 -0.0715162 2.4001585 -0.1301474 -0.3118846 0.2783045 3.3018250 56 Ge 2.4600840 -0.0173587 -0.1682359 0.0785549 3.8410864 -0.5843339 0.0947253 -0.4953116 3.4552854 57 Sb 4.8109178 -0.2128255 1.0051783 0.8056610 3.9251284 -0.0951339 0.3110680 -0.0025379 4.9778693 58 Sb 4.8109178 -0.2128255 -1.0051783 0.8056610 3.9251284 0.0951339 -0.3110680 0.0025379 4.9778693 59 Sb 4.8109178 0.2128255 1.0051783 -0.8056610 3.9251284 0.0951339 0.3110680 0.0025379 4.9778693 60 Sb 3.9675721 0.2053300 -0.1729066 0.0385150 4.8623534 0.8865222 0.5200331 0.5231307 5.1079002 61 Sb 3.9675721 0.2053300 0.1729066 0.0385150 4.8623534 -0.8865222 -0.5200331 -0.5231307 5.1079002 62 Sb 3.9675721 -0.2053300 -0.1729066 -0.0385150 4.8623534 -0.8865222 0.5200331 -0.5231307 5.1079002 63 Sb 3.9675721 -0.2053300 0.1729066 -0.0385150 4.8623534 0.8865222 -0.5200331 0.5231307 5.1079002 64 Sb 4.8109178 0.2128255 -1.0051783 -0.8056610 3.9251284 -0.0951339 -0.3110680 -0.0025379 4.9778693 ---------------------------------------------------------------------------- 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[ 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 31, 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[ 35, 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[ 41, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 119, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:57:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:57:42]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.438225590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): 1 O 0.30550775656173 0.94608003500418 0.15430113455205 15.999 2 O 0.69449224343827 0.05391996499582 0.65430113455205 15.999 3 O 0.80550775656173 0.55391996499582 0.15430113455205 15.999 4 O 0.19449224343827 0.44608003500418 0.65430113455205 15.999 5 O 0.75670107324739 0.49872935252996 0.89990257390776 15.999 6 O 0.24329892675261 0.50127064747004 0.39990257390776 15.999 7 O 0.25670107324739 0.00127064747004 0.89990257390776 15.999 8 O 0.74329892675261 0.99872935252996 0.39990257390776 15.999 9 O 0.24645426619945 0.49701247155689 0.15125230313736 15.999 10 O 0.75354573380055 0.50298752844311 0.65125230313736 15.999 11 O 0.74645426619945 0.00298752844311 0.15125230313736 15.999 12 O 0.25354573380055 0.99701247155689 0.65125230313736 15.999 13 O 0.70806114957069 0.06998741170377 0.90735953983064 15.999 14 O 0.29193885042931 0.93001258829623 0.40735953983064 15.999 15 O 0.20806114957069 0.43001258829623 0.90735953983064 15.999 16 O 0.07899722648181 0.13506851820417 0.78271874026361 15.999 17 O 0.79193885042931 0.56998741170377 0.40735953983064 15.999 18 O 0.59469119340703 0.73570639661042 0.52790727725968 15.999 19 O 0.90530880659297 0.23570639661042 0.02790727725968 15.999 20 O 0.09469119340703 0.76429360338958 0.52790727725968 15.999 21 O 0.88392504132726 0.83210526552895 0.95394828541052 15.999 22 O 0.11607495867274 0.16789473447105 0.45394828541052 15.999 23 O 0.38392504132726 0.66789473447105 0.95394828541052 15.999 24 O 0.61607495867274 0.33210526552894 0.45394828541052 15.999 25 O 0.97128049632989 0.53291547957413 0.84216600397054 15.999 26 O 0.02871950367011 0.46708452042587 0.34216600397054 15.999 27 O 0.47128049632989 0.96708452042587 0.84216600397054 15.999 28 O 0.52871950367011 0.03291547957413 0.34216600397054 15.999 29 O 0.51573078359508 0.90466746873252 0.08924682003312 15.999 30 O 0.48426921640492 0.09533253126749 0.58924682003312 15.999 31 O 0.01573078359508 0.59533253126748 0.08924682003312 15.999 32 O 0.98426921640492 0.40466746873251 0.58924682003312 15.999 33 O 0.86839776304409 0.16620613375343 0.75737739208100 15.999 34 O 0.13160223695591 0.83379386624657 0.25737739208100 15.999 35 O 0.36839776304409 0.33379386624656 0.75737739208100 15.999 36 O 0.63160223695591 0.66620613375343 0.25737739208100 15.999 37 O 0.42100277351819 0.63506851820417 0.28271874026361 15.999 38 O 0.57899722648181 0.36493148179583 0.78271874026361 15.999 39 O 0.92100277351819 0.86493148179583 0.28271874026361 15.999 40 O 0.40530880659297 0.26429360338958 0.02790727725968 15.999 41 Na 0.84179778216809 0.79968973925387 0.73219287516560 22.990 42 Na 0.39949057282736 0.27211206722797 0.41033018434377 22.990 43 Na 0.89949057282736 0.22788793277203 0.41033018434377 22.990 44 Na 0.60050942717264 0.72788793277203 0.91033018434377 22.990 45 Na 0.65820221783191 0.29968973925387 0.23219287516560 22.990 46 Na 0.34179778216809 0.70031026074613 0.73219287516560 22.990 47 Na 0.15820221783191 0.20031026074613 0.23219287516560 22.990 48 Na 0.10050942717264 0.77211206722797 0.91033018434377 22.990 49 Ge 0.01892066632592 0.68612531781835 0.24407522328643 72.640 50 Ge 0.48107933367408 0.18612531781835 0.74407522328643 72.640 51 Ge 0.51892066632592 0.81387468218165 0.24407522328643 72.640 52 Ge 0.68739215342727 0.54116333668484 0.51041963516760 72.640 53 Ge 0.31260784657273 0.45883666331516 0.01041963516760 72.640 54 Ge 0.18739215342727 0.95883666331516 0.51041963516760 72.640 55 Ge 0.98107933367408 0.31387468218165 0.74407522328643 72.640 56 Ge 0.81260784657273 0.04116333668484 0.01041963516760 72.640 57 Sb 0.72558980741349 0.27975173436488 0.77382030871956 121.760 58 Sb 0.27441019258651 0.72024826563512 0.27382030871956 121.760 59 Sb 0.22558980741349 0.22024826563512 0.77382030871956 121.760 60 Sb 0.88541286386785 0.53414452585762 0.99940168287072 121.760 61 Sb 0.11458713613215 0.46585547414238 0.49940168287073 121.760 62 Sb 0.38541286386785 0.96585547414238 0.99940168287072 121.760 63 Sb 0.61458713613215 0.03414452585762 0.49940168287073 121.760 64 Sb 0.77441019258651 0.77975173436488 0.27382030871956 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.043825569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.876451180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.764220390000000 Atomic positions (fractional): 1 O 0.30550775656173 0.47304001750209 0.15430113455205 15.999 > 1 2 O 0.30550775656173 0.97304001750209 0.15430113455205 15.999 > 1 3 O 0.69449224343827 0.02695998249791 0.65430113455205 15.999 > 3 4 O 0.69449224343827 0.52695998249791 0.65430113455205 15.999 > 3 5 O 0.80550775656173 0.27695998249791 0.15430113455205 15.999 > 5 6 O 0.80550775656173 0.77695998249791 0.15430113455205 15.999 > 5 7 O 0.19449224343827 0.22304001750209 0.65430113455205 15.999 > 7 8 O 0.19449224343827 0.72304001750209 0.65430113455205 15.999 > 7 9 O 0.75670107324739 0.24936467626498 0.89990257390776 15.999 > 9 10 O 0.75670107324739 0.74936467626498 0.89990257390776 15.999 > 9 11 O 0.24329892675261 0.25063532373502 0.39990257390776 15.999 > 11 12 O 0.24329892675261 0.75063532373502 0.39990257390776 15.999 > 11 13 O 0.25670107324739 0.00063532373502 0.89990257390776 15.999 > 13 14 O 0.25670107324739 0.50063532373502 0.89990257390776 15.999 > 13 15 O 0.74329892675261 0.49936467626498 0.39990257390776 15.999 > 15 16 O 0.74329892675261 0.99936467626498 0.39990257390776 15.999 > 15 17 O 0.24645426619945 0.24850623577844 0.15125230313736 15.999 > 17 18 O 0.24645426619945 0.74850623577844 0.15125230313736 15.999 > 17 19 O 0.75354573380055 0.25149376422156 0.65125230313736 15.999 > 19 20 O 0.75354573380055 0.75149376422156 0.65125230313736 15.999 > 19 21 O 0.74645426619945 0.00149376422156 0.15125230313736 15.999 > 21 22 O 0.74645426619945 0.50149376422156 0.15125230313736 15.999 > 21 23 O 0.25354573380055 0.49850623577844 0.65125230313736 15.999 > 23 24 O 0.25354573380055 0.99850623577844 0.65125230313736 15.999 > 23 25 O 0.70806114957069 0.03499370585189 0.90735953983064 15.999 > 25 26 O 0.70806114957069 0.53499370585189 0.90735953983064 15.999 > 25 27 O 0.29193885042931 0.46500629414811 0.40735953983064 15.999 > 27 28 O 0.29193885042931 0.96500629414811 0.40735953983064 15.999 > 27 29 O 0.20806114957069 0.21500629414811 0.90735953983064 15.999 > 29 30 O 0.20806114957069 0.71500629414811 0.90735953983064 15.999 > 29 31 O 0.07899722648181 0.06753425910209 0.78271874026361 15.999 > 31 32 O 0.07899722648181 0.56753425910209 0.78271874026361 15.999 > 31 33 O 0.79193885042931 0.28499370585189 0.40735953983064 15.999 > 33 34 O 0.79193885042931 0.78499370585189 0.40735953983064 15.999 > 33 35 O 0.59469119340703 0.36785319830521 0.52790727725968 15.999 > 35 36 O 0.59469119340703 0.86785319830521 0.52790727725968 15.999 > 35 37 O 0.90530880659297 0.11785319830521 0.02790727725968 15.999 > 37 38 O 0.90530880659297 0.61785319830521 0.02790727725968 15.999 > 37 39 O 0.09469119340703 0.38214680169479 0.52790727725968 15.999 > 39 40 O 0.09469119340703 0.88214680169479 0.52790727725968 15.999 > 39 41 O 0.88392504132726 0.41605263276447 0.95394828541052 15.999 > 41 42 O 0.88392504132726 0.91605263276447 0.95394828541052 15.999 > 41 43 O 0.11607495867274 0.08394736723553 0.45394828541052 15.999 > 43 44 O 0.11607495867274 0.58394736723553 0.45394828541052 15.999 > 43 45 O 0.38392504132726 0.33394736723553 0.95394828541052 15.999 > 45 46 O 0.38392504132726 0.83394736723553 0.95394828541052 15.999 > 45 47 O 0.61607495867274 0.16605263276447 0.45394828541052 15.999 > 47 48 O 0.61607495867274 0.66605263276447 0.45394828541052 15.999 > 47 49 O 0.97128049632989 0.26645773978706 0.84216600397054 15.999 > 49 50 O 0.97128049632989 0.76645773978706 0.84216600397054 15.999 > 49 51 O 0.02871950367011 0.23354226021294 0.34216600397054 15.999 > 51 52 O 0.02871950367011 0.73354226021294 0.34216600397054 15.999 > 51 53 O 0.47128049632989 0.48354226021294 0.84216600397054 15.999 > 53 54 O 0.47128049632989 0.98354226021294 0.84216600397054 15.999 > 53 55 O 0.52871950367011 0.01645773978706 0.34216600397054 15.999 > 55 56 O 0.52871950367011 0.51645773978706 0.34216600397054 15.999 > 55 57 O 0.51573078359508 0.45233373436626 0.08924682003312 15.999 > 57 58 O 0.51573078359508 0.95233373436626 0.08924682003312 15.999 > 57 59 O 0.48426921640492 0.04766626563374 0.58924682003312 15.999 > 59 60 O 0.48426921640492 0.54766626563374 0.58924682003312 15.999 > 59 61 O 0.01573078359508 0.29766626563374 0.08924682003312 15.999 > 61 62 O 0.01573078359508 0.79766626563374 0.08924682003312 15.999 > 61 63 O 0.98426921640492 0.20233373436626 0.58924682003312 15.999 > 63 64 O 0.98426921640492 0.70233373436626 0.58924682003312 15.999 > 63 65 O 0.86839776304409 0.08310306687672 0.75737739208100 15.999 > 65 66 O 0.86839776304409 0.58310306687672 0.75737739208100 15.999 > 65 67 O 0.13160223695591 0.41689693312328 0.25737739208100 15.999 > 67 68 O 0.13160223695591 0.91689693312328 0.25737739208100 15.999 > 67 69 O 0.36839776304409 0.16689693312328 0.75737739208100 15.999 > 69 70 O 0.36839776304409 0.66689693312328 0.75737739208100 15.999 > 69 71 O 0.63160223695591 0.33310306687672 0.25737739208100 15.999 > 71 72 O 0.63160223695591 0.83310306687672 0.25737739208100 15.999 > 71 73 O 0.42100277351819 0.31753425910209 0.28271874026361 15.999 > 73 74 O 0.42100277351819 0.81753425910209 0.28271874026361 15.999 > 73 75 O 0.57899722648181 0.18246574089791 0.78271874026361 15.999 > 75 76 O 0.57899722648181 0.68246574089791 0.78271874026361 15.999 > 75 77 O 0.92100277351819 0.43246574089791 0.28271874026361 15.999 > 77 78 O 0.92100277351819 0.93246574089791 0.28271874026361 15.999 > 77 79 O 0.40530880659297 0.13214680169479 0.02790727725968 15.999 > 79 80 O 0.40530880659297 0.63214680169479 0.02790727725968 15.999 > 79 81 Na 0.84179778216809 0.39984486962694 0.73219287516560 22.990 > 81 82 Na 0.84179778216809 0.89984486962694 0.73219287516560 22.990 > 81 83 Na 0.39949057282736 0.13605603361398 0.41033018434377 22.990 > 83 84 Na 0.39949057282736 0.63605603361398 0.41033018434377 22.990 > 83 85 Na 0.89949057282736 0.11394396638602 0.41033018434377 22.990 > 85 86 Na 0.89949057282736 0.61394396638602 0.41033018434377 22.990 > 85 87 Na 0.60050942717264 0.36394396638602 0.91033018434377 22.990 > 87 88 Na 0.60050942717264 0.86394396638602 0.91033018434377 22.990 > 87 89 Na 0.65820221783191 0.14984486962694 0.23219287516560 22.990 > 89 90 Na 0.65820221783191 0.64984486962694 0.23219287516560 22.990 > 89 91 Na 0.34179778216809 0.35015513037306 0.73219287516560 22.990 > 91 92 Na 0.34179778216809 0.85015513037306 0.73219287516560 22.990 > 91 93 Na 0.15820221783191 0.10015513037306 0.23219287516560 22.990 > 93 94 Na 0.15820221783191 0.60015513037306 0.23219287516560 22.990 > 93 95 Na 0.10050942717264 0.38605603361398 0.91033018434377 22.990 > 95 96 Na 0.10050942717264 0.88605603361398 0.91033018434377 22.990 > 95 97 Ge 0.01892066632592 0.34306265890918 0.24407522328643 72.640 > 97 98 Ge 0.01892066632592 0.84306265890918 0.24407522328643 72.640 > 97 99 Ge 0.48107933367408 0.09306265890918 0.74407522328643 72.640 > 99 100 Ge 0.48107933367408 0.59306265890918 0.74407522328643 72.640 > 99 101 Ge 0.51892066632592 0.40693734109082 0.24407522328643 72.640 > 101 102 Ge 0.51892066632592 0.90693734109082 0.24407522328643 72.640 > 101 103 Ge 0.68739215342727 0.27058166834242 0.51041963516760 72.640 > 103 104 Ge 0.68739215342727 0.77058166834242 0.51041963516760 72.640 > 103 105 Ge 0.31260784657273 0.22941833165758 0.01041963516760 72.640 > 105 106 Ge 0.31260784657273 0.72941833165758 0.01041963516760 72.640 > 105 107 Ge 0.18739215342727 0.47941833165758 0.51041963516760 72.640 > 107 108 Ge 0.18739215342727 0.97941833165758 0.51041963516760 72.640 > 107 109 Ge 0.98107933367408 0.15693734109082 0.74407522328643 72.640 > 109 110 Ge 0.98107933367408 0.65693734109082 0.74407522328643 72.640 > 109 111 Ge 0.81260784657273 0.02058166834242 0.01041963516760 72.640 > 111 112 Ge 0.81260784657273 0.52058166834242 0.01041963516760 72.640 > 111 113 Sb 0.72558980741349 0.13987586718244 0.77382030871956 121.760 > 113 114 Sb 0.72558980741349 0.63987586718244 0.77382030871956 121.760 > 113 115 Sb 0.27441019258651 0.36012413281756 0.27382030871956 121.760 > 115 116 Sb 0.27441019258651 0.86012413281756 0.27382030871956 121.760 > 115 117 Sb 0.22558980741349 0.11012413281756 0.77382030871956 121.760 > 117 118 Sb 0.22558980741349 0.61012413281756 0.77382030871956 121.760 > 117 119 Sb 0.88541286386785 0.26707226292881 0.99940168287072 121.760 > 119 120 Sb 0.88541286386785 0.76707226292881 0.99940168287072 121.760 > 119 121 Sb 0.11458713613215 0.23292773707119 0.49940168287073 121.760 > 121 122 Sb 0.11458713613215 0.73292773707119 0.49940168287073 121.760 > 121 123 Sb 0.38541286386785 0.48292773707119 0.99940168287072 121.760 > 123 124 Sb 0.38541286386785 0.98292773707119 0.99940168287072 121.760 > 123 125 Sb 0.61458713613215 0.01707226292881 0.49940168287073 121.760 > 125 126 Sb 0.61458713613215 0.51707226292881 0.49940168287073 121.760 > 125 127 Sb 0.77441019258651 0.38987586718244 0.27382030871956 121.760 > 127 128 Sb 0.77441019258651 0.88987586718244 0.27382030871956 121.760 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1236097 0.0000000 0.0000000 0.0000000 3.1184643 0.0000000 0.0000000 0.0000000 3.3351940 -------------------------- Born effective charges -------------------------- 1 O -1.5243995 -0.1082717 0.5941300 -0.2201407 -1.6116412 0.6433363 0.5080292 0.6192994 -2.4293512 2 O -1.5243995 -0.1082717 -0.5941300 -0.2201407 -1.6116412 -0.6433363 -0.5080292 -0.6192994 -2.4293512 3 O -1.5243995 0.1082717 0.5941300 0.2201407 -1.6116412 -0.6433363 0.5080292 -0.6192994 -2.4293512 4 O -1.5243995 0.1082717 -0.5941300 0.2201407 -1.6116412 0.6433363 -0.5080292 0.6192994 -2.4293512 5 O -1.7131694 -0.1735464 -0.5792610 -0.3338621 -1.7410542 -0.5975588 -0.7065441 -0.5582655 -2.0624453 6 O -1.7131694 -0.1735464 0.5792610 -0.3338621 -1.7410542 0.5975588 0.7065441 0.5582655 -2.0624453 7 O -1.7131694 0.1735464 -0.5792610 0.3338621 -1.7410542 0.5975588 -0.7065441 0.5582655 -2.0624453 8 O -1.7131694 0.1735464 0.5792610 0.3338621 -1.7410542 -0.5975588 0.7065441 -0.5582655 -2.0624453 9 O -1.3069110 0.0034662 0.4284147 -0.0504804 -1.6989284 -0.7276720 0.4211796 -0.6995547 -2.5024007 10 O -1.3069110 0.0034662 -0.4284147 -0.0504804 -1.6989284 0.7276720 -0.4211796 0.6995547 -2.5024007 11 O -1.3069110 -0.0034662 0.4284147 0.0504804 -1.6989284 0.7276720 0.4211796 0.6995547 -2.5024007 12 O -1.3069110 -0.0034662 -0.4284147 0.0504804 -1.6989284 -0.7276720 -0.4211796 -0.6995547 -2.5024007 13 O -1.5075465 0.0126433 -0.4223304 0.0596724 -1.6349903 0.6659576 -0.5496683 0.5911218 -2.1810910 14 O -1.5075465 0.0126433 0.4223304 0.0596724 -1.6349903 -0.6659576 0.5496683 -0.5911218 -2.1810910 15 O -1.5075465 -0.0126433 -0.4223304 -0.0596724 -1.6349903 -0.6659576 -0.5496683 -0.5911218 -2.1810910 16 O -2.7494606 0.3777399 -0.1142270 0.3706577 -1.3626621 0.1555061 0.0128276 0.1359673 -1.2346563 17 O -1.5075465 -0.0126433 0.4223304 -0.0596724 -1.6349903 0.6659576 0.5496683 0.5911218 -2.1810910 18 O -1.2291409 0.4299147 -0.0343484 0.5433895 -2.6981297 0.0756063 0.0766154 0.0651986 -1.2950255 19 O -1.2291409 -0.4299147 0.0343484 -0.5433895 -2.6981297 0.0756063 -0.0766154 0.0651986 -1.2950255 20 O -1.2291409 -0.4299147 -0.0343484 -0.5433895 -2.6981297 -0.0756063 0.0766154 -0.0651986 -1.2950255 21 O -1.2248275 0.5006803 0.1302207 0.5038632 -2.8861295 -0.0771589 -0.0071328 0.0716120 -1.3763998 22 O -1.2248275 0.5006803 -0.1302207 0.5038632 -2.8861295 0.0771589 0.0071328 -0.0716120 -1.3763998 23 O -1.2248275 -0.5006803 0.1302207 -0.5038632 -2.8861295 0.0771589 -0.0071328 -0.0716120 -1.3763998 24 O -1.2248275 -0.5006803 -0.1302207 -0.5038632 -2.8861295 -0.0771589 0.0071328 0.0716120 -1.3763998 25 O -1.6338536 0.1813197 0.7160455 0.0899121 -1.5608578 -0.5253707 0.4461810 -0.6764702 -2.2430409 26 O -1.6338536 0.1813197 -0.7160455 0.0899121 -1.5608578 0.5253707 -0.4461810 0.6764702 -2.2430409 27 O -1.6338536 -0.1813197 0.7160455 -0.0899121 -1.5608578 0.5253707 0.4461810 0.6764702 -2.2430409 28 O -1.6338536 -0.1813197 -0.7160455 -0.0899121 -1.5608578 -0.5253707 -0.4461810 -0.6764702 -2.2430409 29 O -1.8381544 0.2345162 -0.7137826 0.0879174 -1.1391935 0.3616721 -0.5509709 0.3965144 -2.3540518 30 O -1.8381544 0.2345162 0.7137826 0.0879174 -1.1391935 -0.3616721 0.5509709 -0.3965144 -2.3540518 31 O -1.8381544 -0.2345162 -0.7137826 -0.0879174 -1.1391935 -0.3616721 -0.5509709 -0.3965144 -2.3540518 32 O -1.8381544 -0.2345162 0.7137826 -0.0879174 -1.1391935 0.3616721 0.5509709 0.3965144 -2.3540518 33 O -2.7570331 -0.1578948 0.2630692 -0.3202891 -1.3298631 0.0785890 0.1378222 0.0146741 -1.3447713 34 O -2.7570331 -0.1578948 -0.2630692 -0.3202891 -1.3298631 -0.0785890 -0.1378222 -0.0146741 -1.3447713 35 O -2.7570331 0.1578948 0.2630692 0.3202891 -1.3298631 -0.0785890 0.1378222 -0.0146741 -1.3447713 36 O -2.7570331 0.1578948 -0.2630692 0.3202891 -1.3298631 0.0785890 -0.1378222 0.0146741 -1.3447713 37 O -2.7494606 -0.3777399 0.1142270 -0.3706577 -1.3626621 0.1555061 -0.0128276 0.1359673 -1.2346563 38 O -2.7494606 -0.3777399 -0.1142270 -0.3706577 -1.3626621 -0.1555061 0.0128276 -0.1359673 -1.2346563 39 O -2.7494606 0.3777399 0.1142270 0.3706577 -1.3626621 -0.1555061 -0.0128276 -0.1359673 -1.2346563 40 O -1.2291409 0.4299147 0.0343484 0.5433895 -2.6981297 -0.0756063 -0.0766154 -0.0651986 -1.2950255 41 Na 1.0077823 -0.0210505 0.0760776 -0.0440707 1.3668199 -0.0023762 0.1171678 0.0143223 1.1103173 42 Na 1.3057525 -0.0615168 0.0722207 -0.0833785 1.2679030 -0.0898619 0.0852818 -0.1027436 1.0700366 43 Na 1.3057525 0.0615168 0.0722207 0.0833785 1.2679030 0.0898619 0.0852818 0.1027436 1.0700366 44 Na 1.3057525 -0.0615168 -0.0722207 -0.0833785 1.2679030 0.0898619 -0.0852818 0.1027436 1.0700366 45 Na 1.0077823 0.0210505 -0.0760776 0.0440707 1.3668199 -0.0023762 -0.1171678 0.0143223 1.1103173 46 Na 1.0077823 0.0210505 0.0760776 0.0440707 1.3668199 0.0023762 0.1171678 -0.0143223 1.1103173 47 Na 1.0077823 -0.0210505 -0.0760776 -0.0440707 1.3668199 0.0023762 -0.1171678 -0.0143223 1.1103173 48 Na 1.3057525 0.0615168 -0.0722207 0.0833785 1.2679030 -0.0898619 -0.0852818 -0.1027436 1.0700366 49 Ge 3.9323878 -0.2933128 0.9241444 -0.0715162 2.4001585 0.1301474 0.3118846 -0.2783045 3.3018250 50 Ge 3.9323878 0.2933128 -0.9241444 0.0715162 2.4001585 0.1301474 -0.3118846 -0.2783045 3.3018250 51 Ge 3.9323878 0.2933128 0.9241444 0.0715162 2.4001585 -0.1301474 0.3118846 0.2783045 3.3018250 52 Ge 2.4600840 0.0173587 0.1682359 -0.0785549 3.8410864 -0.5843339 -0.0947253 -0.4953116 3.4552854 53 Ge 2.4600840 0.0173587 -0.1682359 -0.0785549 3.8410864 0.5843339 0.0947253 0.4953116 3.4552854 54 Ge 2.4600840 -0.0173587 0.1682359 0.0785549 3.8410864 0.5843339 -0.0947253 0.4953116 3.4552854 55 Ge 3.9323878 -0.2933128 -0.9241444 -0.0715162 2.4001585 -0.1301474 -0.3118846 0.2783045 3.3018250 56 Ge 2.4600840 -0.0173587 -0.1682359 0.0785549 3.8410864 -0.5843339 0.0947253 -0.4953116 3.4552854 57 Sb 4.8109178 -0.2128255 1.0051783 0.8056610 3.9251284 -0.0951339 0.3110680 -0.0025379 4.9778693 58 Sb 4.8109178 -0.2128255 -1.0051783 0.8056610 3.9251284 0.0951339 -0.3110680 0.0025379 4.9778693 59 Sb 4.8109178 0.2128255 1.0051783 -0.8056610 3.9251284 0.0951339 0.3110680 0.0025379 4.9778693 60 Sb 3.9675721 0.2053300 -0.1729066 0.0385150 4.8623534 0.8865222 0.5200331 0.5231307 5.1079002 61 Sb 3.9675721 0.2053300 0.1729066 0.0385150 4.8623534 -0.8865222 -0.5200331 -0.5231307 5.1079002 62 Sb 3.9675721 -0.2053300 -0.1729066 -0.0385150 4.8623534 -0.8865222 0.5200331 -0.5231307 5.1079002 63 Sb 3.9675721 -0.2053300 0.1729066 -0.0385150 4.8623534 0.8865222 -0.5200331 0.5231307 5.1079002 64 Sb 4.8109178 0.2128255 -1.0051783 -0.8056610 3.9251284 -0.0951339 -0.3110680 -0.0025379 4.9778693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.43, Number of G-points: 307, Lambda: 0.08 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 1.385 ( 0.000 0.000 -0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 -0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 -0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 -0.000) 0.000 2.986 ( 0.000 0.000 -0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 -0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 -0.000) 0.000 4.086 ( 0.000 0.000 -0.000) 0.000 4.156 ( 0.000 0.000 -0.000) 0.000 4.181 ( 0.000 0.000 -0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 -0.000) 0.000 4.715 ( 0.000 0.000 -0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 -0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 -0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 -0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 -0.000) 0.000 5.808 ( 0.000 0.000 -0.000) 0.000 5.895 ( 0.000 0.000 -0.000) 0.000 5.964 ( 0.000 0.000 -0.000) 0.000 5.975 ( 0.000 0.000 -0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 -0.000) 0.000 6.751 ( 0.000 0.000 -0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 -0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 -0.000) 0.000 7.480 ( 0.000 0.000 -0.000) 0.000 7.557 ( 0.000 0.000 -0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 7.984 ( 0.000 0.000 -0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 -0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 -0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 -0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 -0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 -0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 10.750 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 -0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 12.985 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.292 ( 0.000 0.000 -0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.433 ( 0.000 0.000 0.000) 0.000 13.523 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.741 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 -0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 14.634 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 14.655 ( 0.000 0.000 0.000) 0.000 14.683 ( 0.000 0.000 0.000) 0.000 14.771 ( 0.000 0.000 0.000) 0.000 14.858 ( 0.000 0.000 -0.000) 0.000 14.991 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 -0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.548 ( 0.000 0.000 0.000) 0.000 15.568 ( 0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 -0.000) 0.000 15.918 ( 0.000 0.000 0.000) 0.000 16.038 ( 0.000 0.000 -0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.473 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 18.724 ( 0.000 0.000 -0.000) 0.000 19.140 ( 0.000 0.000 0.000) 0.000 19.301 ( 0.000 0.000 0.000) 0.000 20.574 ( 0.000 0.000 -0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 20.809 ( 0.000 0.000 0.000) 0.000 20.909 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 0.000 0.000) 0.000 21.255 ( 0.000 0.000 0.000) 0.000 21.420 ( 0.000 0.000 -0.000) 0.000 21.592 ( 0.000 0.000 -0.000) 0.000 21.734 ( 0.000 0.000 0.000) 0.000 21.772 ( 0.000 0.000 -0.000) 0.000 21.876 ( 0.000 0.000 0.000) 0.000 21.930 ( 0.000 0.000 -0.000) 0.000 22.082 ( 0.000 0.000 0.000) 0.000 22.247 ( 0.000 0.000 0.000) 0.000 22.373 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 23.418 ( 0.000 0.000 0.000) 0.000 23.441 ( 0.000 0.000 -0.000) 0.000 23.473 ( 0.000 0.000 0.000) 0.000 23.492 ( 0.000 0.000 0.000) 0.000 23.687 ( 0.000 0.000 0.000) 0.000 23.786 ( 0.000 0.000 0.000) 0.000 23.798 ( 0.000 0.000 0.000) 0.000 24.046 ( 0.000 0.000 0.000) 0.000 24.180 ( 0.000 0.000 -0.000) 0.000 24.208 ( 0.000 0.000 -0.000) 0.000 24.483 ( 0.000 0.000 -0.000) 0.000 24.728 ( 0.000 0.000 0.000) 0.000 24.916 ( 0.000 0.000 0.000) 0.000 24.978 ( 0.000 0.000 0.000) 0.000 25.018 ( 0.000 0.000 0.000) 0.000 25.818 ( 0.000 0.000 0.000) 0.000 25.934 ( 0.000 0.000 0.000) 0.000 25.959 ( 0.000 0.000 0.000) 0.000 26.021 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 26.297 0.000 0.000) 26.297 0.578 ( 29.150 0.000 0.000) 29.150 0.954 ( 46.080 0.000 0.000) 46.080 1.387 ( -10.565 0.000 0.000) 10.565 1.449 ( -6.540 0.000 0.000) 6.540 1.451 ( -0.284 0.000 0.000) 0.284 1.568 ( -5.276 0.000 0.000) 5.276 1.845 ( -1.668 0.000 0.000) 1.668 1.899 ( 3.116 0.000 0.000) 3.116 1.903 ( -3.816 0.000 0.000) 3.816 2.000 ( -1.670 0.000 0.000) 1.670 2.085 ( 0.234 0.000 0.000) 0.234 2.220 ( 2.495 0.000 0.000) 2.495 2.291 ( 11.055 0.000 0.000) 11.055 2.466 ( 0.368 0.000 0.000) 0.368 2.483 ( -3.068 0.000 0.000) 3.068 2.565 ( -4.842 0.000 0.000) 4.842 2.604 ( 2.226 0.000 0.000) 2.226 2.693 ( -2.574 0.000 0.000) 2.574 2.878 ( 5.622 0.000 0.000) 5.622 2.923 ( -2.784 0.000 0.000) 2.784 2.960 ( -1.732 0.000 0.000) 1.732 2.991 ( -1.281 0.000 0.000) 1.281 3.198 ( -5.508 0.000 0.000) 5.508 3.209 ( -4.497 0.000 0.000) 4.497 3.220 ( -7.421 0.000 0.000) 7.421 3.391 ( 6.168 0.000 0.000) 6.168 3.486 ( 2.804 0.000 0.000) 2.804 3.570 ( 9.193 0.000 0.000) 9.193 3.704 ( -1.159 0.000 0.000) 1.159 3.743 ( -1.995 0.000 0.000) 1.995 3.892 ( -5.494 0.000 0.000) 5.494 3.909 ( 2.606 0.000 0.000) 2.606 3.935 ( -0.371 0.000 0.000) 0.371 4.051 ( -7.845 0.000 0.000) 7.845 4.106 ( 1.833 0.000 0.000) 1.833 4.192 ( -3.275 0.000 0.000) 3.275 4.202 ( -3.452 0.000 0.000) 3.452 4.266 ( 1.935 0.000 0.000) 1.935 4.304 ( -8.566 0.000 0.000) 8.566 4.360 ( 4.309 0.000 0.000) 4.309 4.479 ( 3.490 0.000 0.000) 3.490 4.527 ( -2.209 0.000 0.000) 2.209 4.556 ( -1.752 0.000 0.000) 1.752 4.583 ( 1.978 0.000 0.000) 1.978 4.673 ( -5.550 0.000 0.000) 5.550 4.721 ( 3.355 0.000 0.000) 3.355 4.778 ( 2.563 0.000 0.000) 2.563 4.919 ( -1.698 0.000 0.000) 1.698 4.932 ( 2.888 0.000 0.000) 2.888 5.026 ( 3.793 0.000 0.000) 3.793 5.140 ( 2.530 0.000 0.000) 2.530 5.183 ( -3.302 0.000 0.000) 3.302 5.235 ( 5.875 0.000 0.000) 5.875 5.243 ( -2.017 0.000 0.000) 2.017 5.346 ( -0.930 0.000 0.000) 0.930 5.374 ( 0.808 0.000 0.000) 0.808 5.462 ( -5.265 0.000 0.000) 5.265 5.514 ( 2.749 0.000 0.000) 2.749 5.517 ( 0.355 0.000 0.000) 0.355 5.726 ( 2.246 0.000 0.000) 2.246 5.744 ( -6.469 0.000 0.000) 6.469 5.823 ( -0.596 0.000 0.000) 0.596 5.856 ( -3.318 0.000 0.000) 3.318 5.931 ( -3.400 0.000 0.000) 3.400 5.939 ( -3.223 0.000 0.000) 3.223 5.968 ( 2.312 0.000 0.000) 2.312 6.091 ( -0.527 0.000 0.000) 0.527 6.148 ( 2.652 0.000 0.000) 2.652 6.191 ( 3.954 0.000 0.000) 3.954 6.288 ( -1.220 0.000 0.000) 1.220 6.311 ( -1.392 0.000 0.000) 1.392 6.355 ( 3.056 0.000 0.000) 3.056 6.502 ( 0.468 0.000 0.000) 0.468 6.623 ( 1.356 0.000 0.000) 1.356 6.698 ( 0.614 0.000 0.000) 0.614 6.760 ( 5.606 0.000 0.000) 5.606 6.811 ( 5.661 0.000 0.000) 5.661 6.835 ( -0.666 0.000 0.000) 0.666 6.942 ( 0.548 0.000 0.000) 0.548 7.111 ( -6.698 0.000 0.000) 6.698 7.229 ( -6.116 0.000 0.000) 6.116 7.372 ( -3.394 0.000 0.000) 3.394 7.564 ( -9.724 0.000 0.000) 9.724 7.653 ( 2.952 0.000 0.000) 2.952 7.835 ( 1.981 0.000 0.000) 1.981 7.858 ( 0.385 0.000 0.000) 0.385 7.927 ( -3.087 0.000 0.000) 3.087 7.938 ( -0.285 0.000 0.000) 0.285 8.061 ( -1.292 0.000 0.000) 1.292 8.260 ( 7.142 0.000 0.000) 7.142 8.365 ( 8.590 0.000 0.000) 8.590 8.441 ( -0.668 0.000 0.000) 0.668 8.680 ( -9.935 0.000 0.000) 9.935 8.763 ( 7.555 0.000 0.000) 7.555 8.785 ( 4.027 0.000 0.000) 4.027 8.937 ( 0.948 0.000 0.000) 0.948 8.950 ( 2.059 0.000 0.000) 2.059 9.023 ( -2.084 0.000 0.000) 2.084 9.167 ( -5.728 0.000 0.000) 5.728 9.217 ( 7.269 0.000 0.000) 7.269 9.425 ( -4.419 0.000 0.000) 4.419 9.444 ( -6.993 0.000 0.000) 6.993 9.508 ( -3.477 0.000 0.000) 3.477 9.830 ( 6.718 0.000 0.000) 6.718 9.949 ( 14.078 0.000 0.000) 14.078 10.016 ( -3.708 0.000 0.000) 3.708 10.305 ( 0.450 0.000 0.000) 0.450 10.608 ( -5.051 0.000 0.000) 5.051 10.681 ( -8.281 0.000 0.000) 8.281 10.906 ( 9.093 0.000 0.000) 9.093 11.183 ( -4.105 0.000 0.000) 4.105 12.087 ( 0.580 0.000 0.000) 0.580 12.113 ( -0.603 0.000 0.000) 0.603 12.331 ( 3.297 0.000 0.000) 3.297 12.411 ( -0.105 0.000 0.000) 0.105 12.972 ( 0.207 0.000 0.000) 0.207 12.981 ( -0.272 0.000 0.000) 0.272 13.316 ( 1.524 0.000 0.000) 1.524 13.375 ( -1.609 0.000 0.000) 1.609 13.421 ( 2.805 0.000 0.000) 2.805 13.434 ( 0.409 0.000 0.000) 0.409 13.453 ( 6.408 0.000 0.000) 6.408 13.557 ( 0.807 0.000 0.000) 0.807 13.632 ( -2.566 0.000 0.000) 2.566 13.815 ( 6.028 0.000 0.000) 6.028 13.939 ( -9.571 0.000 0.000) 9.571 14.014 ( -1.562 0.000 0.000) 1.562 14.234 ( -2.533 0.000 0.000) 2.533 14.273 ( -5.004 0.000 0.000) 5.004 14.317 ( 0.718 0.000 0.000) 0.718 14.345 ( -2.175 0.000 0.000) 2.175 14.617 ( -1.100 0.000 0.000) 1.100 14.620 ( -1.207 0.000 0.000) 1.207 14.713 ( 3.229 0.000 0.000) 3.229 14.743 ( -0.229 0.000 0.000) 0.229 14.805 ( 2.214 0.000 0.000) 2.214 14.842 ( -1.203 0.000 0.000) 1.203 14.988 ( -1.335 0.000 0.000) 1.335 15.059 ( -3.739 0.000 0.000) 3.739 15.130 ( 3.451 0.000 0.000) 3.451 15.161 ( 1.374 0.000 0.000) 1.374 15.587 ( 2.048 0.000 0.000) 2.048 15.618 ( 7.555 0.000 0.000) 7.555 15.639 ( 0.005 0.000 0.000) 0.005 15.883 ( -3.740 0.000 0.000) 3.740 16.027 ( -0.871 0.000 0.000) 0.871 16.040 ( -1.286 0.000 0.000) 1.286 16.331 ( 2.592 0.000 0.000) 2.592 16.450 ( -2.319 0.000 0.000) 2.319 17.029 ( 0.535 0.000 0.000) 0.535 17.055 ( -0.548 0.000 0.000) 0.548 18.603 ( 1.891 0.000 0.000) 1.891 18.707 ( -2.449 0.000 0.000) 2.449 19.168 ( 2.632 0.000 0.000) 2.632 19.281 ( -2.080 0.000 0.000) 2.080 20.589 ( 1.578 0.000 0.000) 1.578 20.711 ( -4.572 0.000 0.000) 4.572 20.853 ( 2.458 0.000 0.000) 2.458 20.974 ( 5.010 0.000 0.000) 5.010 20.979 ( -3.427 0.000 0.000) 3.427 21.095 ( -0.357 0.000 0.000) 0.357 21.438 ( 1.875 0.000 0.000) 1.875 21.556 ( -3.258 0.000 0.000) 3.258 21.738 ( 0.421 0.000 0.000) 0.421 21.764 ( -0.701 0.000 0.000) 0.701 21.881 ( 0.479 0.000 0.000) 0.479 21.883 ( 0.977 0.000 0.000) 0.977 22.009 ( 2.031 0.000 0.000) 2.031 22.081 ( -0.358 0.000 0.000) 0.358 22.242 ( -0.144 0.000 0.000) 0.144 22.332 ( -3.695 0.000 0.000) 3.695 23.421 ( 0.218 0.000 0.000) 0.218 23.427 ( -0.115 0.000 0.000) 0.115 23.478 ( 0.446 0.000 0.000) 0.446 23.491 ( -0.153 0.000 0.000) 0.153 23.699 ( 1.300 0.000 0.000) 1.300 23.760 ( -0.811 0.000 0.000) 0.811 23.801 ( 0.297 0.000 0.000) 0.297 23.801 ( 0.304 0.000 0.000) 0.304 24.061 ( 1.669 0.000 0.000) 1.669 24.159 ( -2.071 0.000 0.000) 2.071 24.490 ( 0.737 0.000 0.000) 0.737 24.518 ( -0.374 0.000 0.000) 0.374 24.759 ( 2.970 0.000 0.000) 2.970 24.889 ( -2.580 0.000 0.000) 2.580 24.982 ( 0.372 0.000 0.000) 0.372 25.019 ( -1.425 0.000 0.000) 1.425 25.842 ( 2.233 0.000 0.000) 2.233 25.939 ( -1.893 0.000 0.000) 1.893 26.026 ( 0.471 0.000 0.000) 0.471 26.045 ( -0.381 0.000 0.000) 0.381 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -17.582 0.000 0.000) 17.582 0.983 ( 17.582 0.000 0.000) 17.582 1.121 ( -18.117 0.000 0.000) 18.117 1.121 ( 18.117 0.000 0.000) 18.117 1.524 ( -3.603 0.000 0.000) 3.603 1.524 ( 3.603 0.000 0.000) 3.603 1.666 ( -24.509 0.000 0.000) 24.509 1.666 ( 24.509 0.000 0.000) 24.509 1.875 ( -3.987 0.000 0.000) 3.987 1.875 ( 3.987 0.000 0.000) 3.987 2.042 ( -4.670 0.000 0.000) 4.670 2.042 ( 4.670 0.000 0.000) 4.670 2.294 ( -4.996 0.000 0.000) 4.996 2.294 ( 4.996 0.000 0.000) 4.996 2.449 ( -1.773 0.000 0.000) 1.773 2.449 ( 1.773 0.000 0.000) 1.773 2.650 ( -2.249 0.000 0.000) 2.249 2.650 ( 2.249 0.000 0.000) 2.249 2.745 ( -16.303 0.000 0.000) 16.303 2.745 ( 16.303 0.000 0.000) 16.303 2.944 ( -0.374 0.000 0.000) 0.374 2.944 ( 0.374 0.000 0.000) 0.374 3.027 ( -6.894 0.000 0.000) 6.894 3.027 ( 6.894 0.000 0.000) 6.894 3.161 ( -0.318 0.000 0.000) 0.318 3.161 ( 0.318 0.000 0.000) 0.318 3.500 ( -3.146 0.000 0.000) 3.146 3.500 ( 3.146 0.000 0.000) 3.146 3.690 ( -1.631 0.000 0.000) 1.631 3.690 ( 1.631 0.000 0.000) 1.631 3.766 ( -8.956 0.000 0.000) 8.956 3.766 ( 8.956 0.000 0.000) 8.956 3.932 ( -2.268 0.000 0.000) 2.268 3.932 ( 2.268 0.000 0.000) 2.268 4.016 ( -8.577 0.000 0.000) 8.577 4.016 ( 8.577 0.000 0.000) 8.577 4.153 ( -2.516 0.000 0.000) 2.516 4.153 ( 2.516 0.000 0.000) 2.516 4.269 ( -0.843 0.000 0.000) 0.843 4.269 ( 0.843 0.000 0.000) 0.843 4.465 ( -4.794 0.000 0.000) 4.794 4.465 ( 4.794 0.000 0.000) 4.794 4.547 ( -3.315 0.000 0.000) 3.315 4.547 ( 3.315 0.000 0.000) 3.315 4.572 ( -4.480 0.000 0.000) 4.480 4.572 ( 4.480 0.000 0.000) 4.480 4.807 ( -2.848 0.000 0.000) 2.848 4.807 ( 2.848 0.000 0.000) 2.848 4.932 ( -2.617 0.000 0.000) 2.617 4.932 ( 2.617 0.000 0.000) 2.617 5.102 ( -4.217 0.000 0.000) 4.217 5.102 ( 4.217 0.000 0.000) 4.217 5.180 ( -3.328 0.000 0.000) 3.328 5.180 ( 3.328 0.000 0.000) 3.328 5.324 ( -2.231 0.000 0.000) 2.231 5.324 ( 2.231 0.000 0.000) 2.231 5.399 ( -1.830 0.000 0.000) 1.830 5.399 ( 1.830 0.000 0.000) 1.830 5.533 ( -0.590 0.000 0.000) 0.590 5.533 ( 0.590 0.000 0.000) 0.590 5.705 ( -2.055 0.000 0.000) 2.055 5.705 ( 2.055 0.000 0.000) 2.055 5.823 ( -0.077 0.000 0.000) 0.077 5.823 ( 0.077 0.000 0.000) 0.077 5.895 ( -0.102 0.000 0.000) 0.102 5.895 ( 0.102 0.000 0.000) 0.102 6.037 ( -3.810 0.000 0.000) 3.810 6.037 ( 3.810 0.000 0.000) 3.810 6.206 ( -2.221 0.000 0.000) 2.221 6.206 ( 2.221 0.000 0.000) 2.221 6.285 ( -1.126 0.000 0.000) 1.126 6.285 ( 1.126 0.000 0.000) 1.126 6.441 ( -5.138 0.000 0.000) 5.138 6.441 ( 5.138 0.000 0.000) 5.138 6.692 ( -2.937 0.000 0.000) 2.937 6.692 ( 2.937 0.000 0.000) 2.937 6.810 ( -0.628 0.000 0.000) 0.628 6.810 ( 0.628 0.000 0.000) 0.628 6.953 ( -2.993 0.000 0.000) 2.993 6.953 ( 2.993 0.000 0.000) 2.993 7.048 ( -5.711 0.000 0.000) 5.711 7.048 ( 5.711 0.000 0.000) 5.711 7.415 ( -5.567 0.000 0.000) 5.567 7.415 ( 5.567 0.000 0.000) 5.567 7.737 ( -6.136 0.000 0.000) 6.136 7.737 ( 6.136 0.000 0.000) 6.136 7.893 ( -2.650 0.000 0.000) 2.650 7.893 ( 2.650 0.000 0.000) 2.650 7.996 ( -5.361 0.000 0.000) 5.361 7.996 ( 5.361 0.000 0.000) 5.361 8.434 ( -3.867 0.000 0.000) 3.867 8.434 ( 3.867 0.000 0.000) 3.867 8.477 ( -8.037 0.000 0.000) 8.037 8.477 ( 8.037 0.000 0.000) 8.037 8.862 ( -0.165 0.000 0.000) 0.165 8.862 ( 0.165 0.000 0.000) 0.165 8.932 ( -1.647 0.000 0.000) 1.647 8.932 ( 1.647 0.000 0.000) 1.647 9.058 ( -4.992 0.000 0.000) 4.992 9.058 ( 4.992 0.000 0.000) 4.992 9.344 ( -3.289 0.000 0.000) 3.289 9.344 ( 3.289 0.000 0.000) 3.289 9.412 ( -5.210 0.000 0.000) 5.210 9.412 ( 5.210 0.000 0.000) 5.210 9.933 ( -4.787 0.000 0.000) 4.787 9.933 ( 4.787 0.000 0.000) 4.787 10.221 ( -11.043 0.000 0.000) 11.043 10.221 ( 11.043 0.000 0.000) 11.043 10.561 ( -1.444 0.000 0.000) 1.444 10.561 ( 1.444 0.000 0.000) 1.444 11.069 ( -7.515 0.000 0.000) 7.515 11.069 ( 7.515 0.000 0.000) 7.515 12.100 ( -0.740 0.000 0.000) 0.740 12.100 ( 0.740 0.000 0.000) 0.740 12.390 ( -2.256 0.000 0.000) 2.256 12.390 ( 2.256 0.000 0.000) 2.256 12.976 ( -0.202 0.000 0.000) 0.202 12.976 ( 0.202 0.000 0.000) 0.202 13.345 ( -1.538 0.000 0.000) 1.538 13.345 ( 1.538 0.000 0.000) 1.538 13.433 ( -0.318 0.000 0.000) 0.318 13.433 ( 0.318 0.000 0.000) 0.318 13.584 ( -1.727 0.000 0.000) 1.727 13.584 ( 1.727 0.000 0.000) 1.727 13.688 ( -14.283 0.000 0.000) 14.283 13.688 ( 14.283 0.000 0.000) 14.283 13.943 ( -6.274 0.000 0.000) 6.274 13.943 ( 6.274 0.000 0.000) 6.274 14.206 ( -0.569 0.000 0.000) 0.569 14.206 ( 0.569 0.000 0.000) 0.569 14.325 ( -0.329 0.000 0.000) 0.329 14.325 ( 0.329 0.000 0.000) 0.329 14.607 ( -0.045 0.000 0.000) 0.045 14.607 ( 0.045 0.000 0.000) 0.045 14.747 ( -0.079 0.000 0.000) 0.079 14.747 ( 0.079 0.000 0.000) 0.079 14.832 ( -0.125 0.000 0.000) 0.125 14.832 ( 0.125 0.000 0.000) 0.125 14.990 ( -2.444 0.000 0.000) 2.444 14.990 ( 2.444 0.000 0.000) 2.444 15.171 ( -0.629 0.000 0.000) 0.629 15.171 ( 0.629 0.000 0.000) 0.629 15.625 ( -1.597 0.000 0.000) 1.597 15.625 ( 1.597 0.000 0.000) 1.597 15.773 ( -7.538 0.000 0.000) 7.538 15.773 ( 7.538 0.000 0.000) 7.538 16.021 ( -0.435 0.000 0.000) 0.435 16.021 ( 0.435 0.000 0.000) 0.435 16.392 ( -3.405 0.000 0.000) 3.405 16.392 ( 3.405 0.000 0.000) 3.405 17.042 ( -0.770 0.000 0.000) 0.770 17.042 ( 0.770 0.000 0.000) 0.770 18.652 ( -2.979 0.000 0.000) 2.979 18.652 ( 2.979 0.000 0.000) 2.979 19.227 ( -3.239 0.000 0.000) 3.239 19.227 ( 3.239 0.000 0.000) 3.239 20.635 ( -3.213 0.000 0.000) 3.213 20.635 ( 3.213 0.000 0.000) 3.213 20.910 ( -3.485 0.000 0.000) 3.485 20.910 ( 3.485 0.000 0.000) 3.485 21.059 ( -3.393 0.000 0.000) 3.393 21.059 ( 3.393 0.000 0.000) 3.393 21.489 ( -3.305 0.000 0.000) 3.305 21.489 ( 3.305 0.000 0.000) 3.305 21.749 ( -0.742 0.000 0.000) 0.742 21.749 ( 0.742 0.000 0.000) 0.742 21.890 ( -0.236 0.000 0.000) 0.236 21.890 ( 0.236 0.000 0.000) 0.236 22.056 ( -2.287 0.000 0.000) 2.287 22.056 ( 2.287 0.000 0.000) 2.287 22.263 ( -2.678 0.000 0.000) 2.678 22.263 ( 2.678 0.000 0.000) 2.678 23.425 ( -0.145 0.000 0.000) 0.145 23.425 ( 0.145 0.000 0.000) 0.145 23.486 ( -0.336 0.000 0.000) 0.336 23.486 ( 0.336 0.000 0.000) 0.336 23.732 ( -1.871 0.000 0.000) 1.871 23.732 ( 1.871 0.000 0.000) 1.871 23.806 ( -0.029 0.000 0.000) 0.029 23.806 ( 0.029 0.000 0.000) 0.029 24.108 ( -2.938 0.000 0.000) 2.938 24.108 ( 2.938 0.000 0.000) 2.938 24.507 ( -0.825 0.000 0.000) 0.825 24.507 ( 0.825 0.000 0.000) 0.825 24.826 ( -3.690 0.000 0.000) 3.690 24.826 ( 3.690 0.000 0.000) 3.690 24.994 ( -0.974 0.000 0.000) 0.974 24.994 ( 0.974 0.000 0.000) 0.974 25.893 ( -2.793 0.000 0.000) 2.793 25.893 ( 2.793 0.000 0.000) 2.793 26.036 ( -0.542 0.000 0.000) 0.542 26.036 ( 0.542 0.000 0.000) 0.542 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 25.761 0.000) 25.761 0.585 ( 0.000 29.119 0.000) 29.119 1.036 ( 0.000 48.897 0.000) 48.897 1.379 ( 0.000 -0.503 0.000) 0.503 1.608 ( 0.000 2.664 0.000) 2.664 1.651 ( 0.000 9.344 0.000) 9.344 1.716 ( 0.000 1.140 0.000) 1.140 1.759 ( 0.000 12.335 0.000) 12.335 1.854 ( 0.000 -4.892 0.000) 4.892 1.895 ( 0.000 3.029 0.000) 3.029 1.910 ( 0.000 4.321 0.000) 4.321 2.135 ( 0.000 4.327 0.000) 4.327 2.267 ( 0.000 4.392 0.000) 4.392 2.270 ( 0.000 5.862 0.000) 5.862 2.403 ( 0.000 -6.748 0.000) 6.748 2.473 ( 0.000 1.266 0.000) 1.266 2.617 ( 0.000 -1.584 0.000) 1.584 2.727 ( 0.000 4.454 0.000) 4.454 2.774 ( 0.000 -9.678 0.000) 9.678 2.786 ( 0.000 4.371 0.000) 4.371 2.852 ( 0.000 -5.771 0.000) 5.771 2.871 ( 0.000 -2.743 0.000) 2.743 2.937 ( 0.000 -5.665 0.000) 5.665 3.172 ( 0.000 -5.987 0.000) 5.987 3.210 ( 0.000 -4.317 0.000) 4.317 3.264 ( 0.000 -4.980 0.000) 4.980 3.353 ( 0.000 -0.391 0.000) 0.391 3.435 ( 0.000 -2.789 0.000) 2.789 3.503 ( 0.000 -1.841 0.000) 1.841 3.695 ( 0.000 -2.851 0.000) 2.851 3.745 ( 0.000 -2.369 0.000) 2.369 3.834 ( 0.000 -2.055 0.000) 2.055 3.874 ( 0.000 2.216 0.000) 2.216 3.880 ( 0.000 -11.551 0.000) 11.551 3.897 ( 0.000 -7.995 0.000) 7.995 4.133 ( 0.000 -3.616 0.000) 3.616 4.192 ( 0.000 -0.010 0.000) 0.010 4.263 ( 0.000 4.056 0.000) 4.056 4.279 ( 0.000 0.976 0.000) 0.976 4.314 ( 0.000 4.818 0.000) 4.818 4.400 ( 0.000 1.221 0.000) 1.221 4.475 ( 0.000 1.662 0.000) 1.662 4.556 ( 0.000 -0.283 0.000) 0.283 4.609 ( 0.000 1.366 0.000) 1.366 4.675 ( 0.000 5.358 0.000) 5.358 4.709 ( 0.000 0.644 0.000) 0.644 4.728 ( 0.000 -6.262 0.000) 6.262 4.824 ( 0.000 0.349 0.000) 0.349 4.913 ( 0.000 9.552 0.000) 9.552 4.957 ( 0.000 -4.963 0.000) 4.963 4.993 ( 0.000 3.870 0.000) 3.870 5.046 ( 0.000 6.229 0.000) 6.229 5.119 ( 0.000 -4.587 0.000) 4.587 5.193 ( 0.000 -2.375 0.000) 2.375 5.313 ( 0.000 2.285 0.000) 2.285 5.378 ( 0.000 1.366 0.000) 1.366 5.416 ( 0.000 3.148 0.000) 3.148 5.447 ( 0.000 1.329 0.000) 1.329 5.560 ( 0.000 5.159 0.000) 5.159 5.626 ( 0.000 1.800 0.000) 1.800 5.707 ( 0.000 -2.111 0.000) 2.111 5.712 ( 0.000 -3.375 0.000) 3.375 5.790 ( 0.000 -3.725 0.000) 3.725 5.803 ( 0.000 -0.828 0.000) 0.828 5.992 ( 0.000 0.867 0.000) 0.867 6.016 ( 0.000 3.984 0.000) 3.984 6.078 ( 0.000 4.355 0.000) 4.355 6.092 ( 0.000 6.002 0.000) 6.002 6.159 ( 0.000 2.993 0.000) 2.993 6.222 ( 0.000 -3.085 0.000) 3.085 6.244 ( 0.000 0.401 0.000) 0.401 6.309 ( 0.000 -2.178 0.000) 2.178 6.354 ( 0.000 -4.725 0.000) 4.725 6.479 ( 0.000 5.634 0.000) 5.634 6.488 ( 0.000 1.550 0.000) 1.550 6.639 ( 0.000 -3.552 0.000) 3.552 6.726 ( 0.000 5.070 0.000) 5.070 6.759 ( 0.000 -3.460 0.000) 3.460 6.852 ( 0.000 4.065 0.000) 4.065 6.927 ( 0.000 8.968 0.000) 8.968 7.098 ( 0.000 12.107 0.000) 12.107 7.458 ( 0.000 -2.367 0.000) 2.367 7.460 ( 0.000 -5.013 0.000) 5.013 7.698 ( 0.000 -7.911 0.000) 7.911 7.757 ( 0.000 2.344 0.000) 2.344 7.830 ( 0.000 -0.823 0.000) 0.823 7.902 ( 0.000 0.633 0.000) 0.633 7.950 ( 0.000 1.363 0.000) 1.363 7.959 ( 0.000 5.925 0.000) 5.925 8.187 ( 0.000 -0.849 0.000) 0.849 8.202 ( 0.000 5.544 0.000) 5.544 8.276 ( 0.000 2.360 0.000) 2.360 8.456 ( 0.000 0.856 0.000) 0.856 8.610 ( 0.000 -3.973 0.000) 3.973 8.749 ( 0.000 2.333 0.000) 2.333 8.873 ( 0.000 -1.995 0.000) 1.995 8.928 ( 0.000 1.363 0.000) 1.363 8.942 ( 0.000 2.832 0.000) 2.832 9.043 ( 0.000 2.019 0.000) 2.019 9.196 ( 0.000 5.161 0.000) 5.161 9.250 ( 0.000 -2.486 0.000) 2.486 9.455 ( 0.000 -6.757 0.000) 6.757 9.518 ( 0.000 4.926 0.000) 4.926 9.651 ( 0.000 2.306 0.000) 2.306 9.756 ( 0.000 0.576 0.000) 0.576 9.817 ( 0.000 0.078 0.000) 0.078 10.039 ( 0.000 -1.942 0.000) 1.942 10.144 ( 0.000 -9.379 0.000) 9.379 10.585 ( 0.000 -10.461 0.000) 10.461 10.670 ( 0.000 -8.193 0.000) 8.193 10.806 ( 0.000 1.006 0.000) 1.006 11.171 ( 0.000 -5.081 0.000) 5.081 12.065 ( 0.000 -0.056 0.000) 0.056 12.147 ( 0.000 2.530 0.000) 2.530 12.312 ( 0.000 -0.364 0.000) 0.364 12.409 ( 0.000 -0.253 0.000) 0.253 12.988 ( 0.000 1.619 0.000) 1.619 13.162 ( 0.000 1.046 0.000) 1.046 13.232 ( 0.000 -4.537 0.000) 4.537 13.330 ( 0.000 1.807 0.000) 1.807 13.346 ( 0.000 -0.713 0.000) 0.713 13.390 ( 0.000 -4.194 0.000) 4.194 13.428 ( 0.000 -1.696 0.000) 1.696 13.547 ( 0.000 2.030 0.000) 2.030 13.664 ( 0.000 -0.488 0.000) 0.488 13.766 ( 0.000 -0.521 0.000) 0.521 14.014 ( 0.000 0.525 0.000) 0.525 14.073 ( 0.000 2.206 0.000) 2.206 14.221 ( 0.000 -7.358 0.000) 7.358 14.272 ( 0.000 -1.342 0.000) 1.342 14.288 ( 0.000 -1.662 0.000) 1.662 14.324 ( 0.000 -0.107 0.000) 0.107 14.513 ( 0.000 -7.445 0.000) 7.445 14.530 ( 0.000 -5.036 0.000) 5.036 14.664 ( 0.000 -3.884 0.000) 3.884 14.756 ( 0.000 -2.749 0.000) 2.749 14.847 ( 0.000 5.543 0.000) 5.543 14.906 ( 0.000 0.898 0.000) 0.898 14.950 ( 0.000 -1.093 0.000) 1.093 15.052 ( 0.000 2.836 0.000) 2.836 15.080 ( 0.000 -0.155 0.000) 0.155 15.130 ( 0.000 0.102 0.000) 0.102 15.199 ( 0.000 -4.492 0.000) 4.492 15.556 ( 0.000 -5.618 0.000) 5.618 15.568 ( 0.000 2.302 0.000) 2.302 15.629 ( 0.000 1.573 0.000) 1.573 16.167 ( 0.000 11.086 0.000) 11.086 16.370 ( 0.000 6.411 0.000) 6.411 16.544 ( 0.000 6.711 0.000) 6.711 16.609 ( 0.000 1.906 0.000) 1.906 16.832 ( 0.000 -0.037 0.000) 0.037 17.052 ( 0.000 -1.031 0.000) 1.031 18.617 ( 0.000 3.272 0.000) 3.272 18.753 ( 0.000 2.899 0.000) 2.899 19.120 ( 0.000 -1.975 0.000) 1.975 19.359 ( 0.000 -2.276 0.000) 2.276 20.577 ( 0.000 0.317 0.000) 0.317 20.788 ( 0.000 -1.100 0.000) 1.100 20.814 ( 0.000 0.338 0.000) 0.338 20.879 ( 0.000 -3.004 0.000) 3.004 20.976 ( 0.000 0.275 0.000) 0.275 21.027 ( 0.000 0.586 0.000) 0.586 21.246 ( 0.000 -0.937 0.000) 0.937 21.491 ( 0.000 -4.532 0.000) 4.532 21.580 ( 0.000 -1.400 0.000) 1.400 21.752 ( 0.000 -9.155 0.000) 9.155 21.759 ( 0.000 -1.669 0.000) 1.669 21.944 ( 0.000 -1.385 0.000) 1.385 22.009 ( 0.000 -2.393 0.000) 2.393 22.180 ( 0.000 -6.411 0.000) 6.411 22.308 ( 0.000 -5.214 0.000) 5.214 22.403 ( 0.000 -5.341 0.000) 5.341 22.720 ( 0.000 5.065 0.000) 5.065 23.149 ( 0.000 -14.866 0.000) 14.866 23.327 ( 0.000 -7.631 0.000) 7.631 23.380 ( 0.000 -7.394 0.000) 7.394 23.873 ( 0.000 4.192 0.000) 4.192 23.957 ( 0.000 10.191 0.000) 10.191 23.971 ( 0.000 3.481 0.000) 3.481 24.061 ( 0.000 7.617 0.000) 7.617 24.220 ( 0.000 9.585 0.000) 9.585 24.281 ( 0.000 7.290 0.000) 7.290 24.512 ( 0.000 3.790 0.000) 3.790 24.715 ( 0.000 -0.711 0.000) 0.711 24.809 ( 0.000 1.246 0.000) 1.246 24.945 ( 0.000 -1.784 0.000) 1.784 25.062 ( 0.000 3.345 0.000) 3.345 25.162 ( 0.000 2.238 0.000) 2.238 25.833 ( 0.000 1.472 0.000) 1.472 25.944 ( 0.000 0.896 0.000) 0.896 26.025 ( 0.000 0.549 0.000) 0.549 26.084 ( 0.000 0.304 0.000) 0.304 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 19.481 19.301 0.000) 27.423 0.883 ( 23.527 18.461 0.000) 29.905 1.266 ( 22.663 30.218 0.000) 37.772 1.422 ( 4.277 1.405 0.000) 4.502 1.552 ( -8.955 8.609 0.000) 12.421 1.595 ( -7.935 7.347 0.000) 10.814 1.709 ( -8.664 12.813 0.000) 15.467 1.770 ( 6.187 -8.129 0.000) 10.216 1.895 ( 1.310 3.422 0.000) 3.664 1.901 ( 1.349 5.078 0.000) 5.254 2.036 ( 7.892 4.957 0.000) 9.320 2.136 ( -1.138 0.140 0.000) 1.147 2.262 ( 4.920 4.485 0.000) 6.657 2.271 ( 3.928 1.488 0.000) 4.201 2.422 ( 1.397 -3.971 0.000) 4.210 2.442 ( -3.847 0.851 0.000) 3.940 2.554 ( -4.674 -1.355 0.000) 4.867 2.697 ( -1.428 2.301 0.000) 2.708 2.711 ( -2.608 -1.348 0.000) 2.936 2.788 ( -4.653 -6.545 0.000) 8.030 2.852 ( -0.232 -4.386 0.000) 4.392 2.904 ( 3.576 0.325 0.000) 3.591 2.977 ( 3.691 -3.308 0.000) 4.956 3.147 ( -4.503 -3.422 0.000) 5.656 3.195 ( -2.308 -3.810 0.000) 4.454 3.212 ( -2.957 -1.025 0.000) 3.130 3.369 ( 1.129 -1.396 0.000) 1.795 3.443 ( 2.057 -3.204 0.000) 3.808 3.533 ( 3.100 -5.587 0.000) 6.390 3.655 ( -2.916 -3.041 0.000) 4.213 3.720 ( -3.601 -4.992 0.000) 6.155 3.798 ( -3.921 -6.218 0.000) 7.351 3.827 ( -1.602 -7.216 0.000) 7.392 3.890 ( -0.424 -1.392 0.000) 1.455 3.968 ( 4.536 -6.107 0.000) 7.607 4.101 ( -6.491 -1.262 0.000) 6.612 4.168 ( 1.826 0.711 0.000) 1.960 4.259 ( 0.685 2.666 0.000) 2.752 4.297 ( 2.773 4.329 0.000) 5.141 4.354 ( -1.775 1.607 0.000) 2.394 4.362 ( -2.613 2.053 0.000) 3.323 4.477 ( 2.634 1.404 0.000) 2.985 4.488 ( -3.463 0.579 0.000) 3.511 4.592 ( -2.672 -0.225 0.000) 2.682 4.647 ( 2.003 1.310 0.000) 2.393 4.682 ( -2.531 -4.067 0.000) 4.790 4.748 ( -4.560 3.495 0.000) 5.745 4.831 ( 2.447 5.527 0.000) 6.045 4.882 ( -0.061 -0.337 0.000) 0.343 4.942 ( 0.252 -0.832 0.000) 0.870 5.023 ( 1.553 -1.656 0.000) 2.270 5.095 ( 2.573 4.710 0.000) 5.367 5.163 ( 2.116 -3.906 0.000) 4.443 5.210 ( 0.515 0.573 0.000) 0.771 5.337 ( 1.864 3.600 0.000) 4.053 5.376 ( -0.363 2.456 0.000) 2.482 5.394 ( -0.317 -0.216 0.000) 0.383 5.456 ( -0.237 0.257 0.000) 0.350 5.521 ( -4.900 2.312 0.000) 5.418 5.547 ( -1.852 3.444 0.000) 3.911 5.692 ( -0.587 -1.945 0.000) 2.031 5.737 ( 1.135 -3.076 0.000) 3.279 5.789 ( -0.643 -4.453 0.000) 4.499 5.838 ( -0.924 1.969 0.000) 2.175 5.953 ( -1.322 3.877 0.000) 4.096 5.983 ( -2.219 4.594 0.000) 5.102 6.097 ( 0.930 3.618 0.000) 3.735 6.126 ( 1.954 -0.839 0.000) 2.127 6.146 ( -1.856 4.355 0.000) 4.734 6.180 ( 1.077 0.630 0.000) 1.247 6.260 ( 3.227 -0.632 0.000) 3.289 6.351 ( 2.169 -0.103 0.000) 2.172 6.414 ( -1.568 5.906 0.000) 6.110 6.457 ( 0.126 -5.119 0.000) 5.121 6.578 ( 6.413 -0.234 0.000) 6.417 6.660 ( 2.683 -0.664 0.000) 2.764 6.815 ( 2.535 -6.548 0.000) 7.022 6.828 ( 7.234 2.449 0.000) 7.637 6.863 ( 0.334 2.399 0.000) 2.422 6.927 ( 2.677 6.152 0.000) 6.710 7.070 ( -2.424 10.593 0.000) 10.867 7.280 ( -12.103 1.658 0.000) 12.216 7.423 ( -4.270 -0.920 0.000) 4.368 7.614 ( -11.112 0.873 0.000) 11.146 7.750 ( 0.383 -1.746 0.000) 1.787 7.813 ( 1.146 0.261 0.000) 1.175 7.859 ( -1.100 2.639 0.000) 2.859 7.912 ( -2.263 3.586 0.000) 4.241 7.992 ( 1.775 2.504 0.000) 3.070 8.084 ( -5.252 1.472 0.000) 5.455 8.251 ( 6.780 -0.180 0.000) 6.783 8.395 ( 6.161 1.496 0.000) 6.340 8.452 ( 0.523 1.224 0.000) 1.331 8.629 ( -4.801 -2.927 0.000) 5.623 8.792 ( 1.612 1.416 0.000) 2.146 8.813 ( 3.822 2.365 0.000) 4.495 8.941 ( 2.889 0.149 0.000) 2.892 8.992 ( 0.383 3.817 0.000) 3.837 9.036 ( 0.308 2.715 0.000) 2.732 9.205 ( -6.474 -0.344 0.000) 6.484 9.253 ( 5.368 2.962 0.000) 6.131 9.374 ( -4.970 -2.906 0.000) 5.757 9.487 ( -3.833 3.275 0.000) 5.041 9.540 ( -4.272 3.041 0.000) 5.243 9.830 ( 2.646 -1.366 0.000) 2.977 9.953 ( 8.676 -0.287 0.000) 8.680 9.987 ( 1.881 -1.558 0.000) 2.443 10.219 ( 3.266 -8.211 0.000) 8.837 10.502 ( -4.470 -9.506 0.000) 10.505 10.647 ( -7.337 -4.251 0.000) 8.480 10.862 ( 7.288 -3.921 0.000) 8.276 11.129 ( -4.284 -5.281 0.000) 6.800 12.080 ( 1.259 -0.094 0.000) 1.262 12.132 ( -1.218 1.798 0.000) 2.172 12.341 ( 2.776 0.417 0.000) 2.807 12.408 ( -0.081 -0.187 0.000) 0.204 12.995 ( 0.743 2.040 0.000) 2.171 13.059 ( -3.894 5.255 0.000) 6.540 13.277 ( 3.161 -4.965 0.000) 5.886 13.337 ( -0.272 -2.190 0.000) 2.207 13.379 ( 0.355 -3.085 0.000) 3.105 13.418 ( -0.908 -1.854 0.000) 2.064 13.455 ( 6.894 -0.687 0.000) 6.928 13.576 ( 2.559 1.979 0.000) 3.235 13.632 ( -2.423 -0.049 0.000) 2.424 13.810 ( 4.582 -0.276 0.000) 4.590 13.971 ( -9.471 2.286 0.000) 9.743 14.013 ( -1.469 -0.059 0.000) 1.470 14.215 ( -3.090 -3.497 0.000) 4.666 14.242 ( -1.976 -1.036 0.000) 2.231 14.307 ( 0.163 -0.978 0.000) 0.992 14.325 ( 0.349 -1.899 0.000) 1.931 14.513 ( 0.020 -7.093 0.000) 7.093 14.546 ( 1.646 -8.179 0.000) 8.342 14.612 ( -1.276 -4.402 0.000) 4.583 14.733 ( -3.273 -5.084 0.000) 6.047 14.859 ( 2.659 3.741 0.000) 4.590 14.906 ( 0.311 2.518 0.000) 2.537 14.934 ( -1.503 -1.398 0.000) 2.052 15.038 ( -3.215 -0.307 0.000) 3.230 15.125 ( 2.832 0.018 0.000) 2.832 15.140 ( 1.849 -0.779 0.000) 2.007 15.393 ( 9.234 -12.865 0.000) 15.836 15.514 ( -1.295 -8.008 0.000) 8.112 15.656 ( 6.629 3.204 0.000) 7.363 15.722 ( 6.337 1.319 0.000) 6.473 16.151 ( -0.961 10.568 0.000) 10.611 16.316 ( -7.642 8.529 0.000) 11.452 16.468 ( -2.232 10.218 0.000) 10.459 16.532 ( -1.894 6.810 0.000) 7.068 16.953 ( 5.203 -4.411 0.000) 6.822 17.044 ( -0.859 -1.282 0.000) 1.543 18.635 ( 1.814 3.206 0.000) 3.684 18.733 ( -2.134 2.763 0.000) 3.491 19.149 ( 2.842 -1.806 0.000) 3.367 19.297 ( -4.311 -0.280 0.000) 4.320 20.586 ( 1.381 -0.141 0.000) 1.388 20.709 ( -4.685 -0.418 0.000) 4.703 20.848 ( 2.287 -0.786 0.000) 2.419 20.954 ( 5.290 -1.976 0.000) 5.647 20.970 ( -2.769 -0.832 0.000) 2.891 21.066 ( 1.546 -1.738 0.000) 2.326 21.324 ( 5.723 -6.309 0.000) 8.518 21.486 ( -2.236 -6.393 0.000) 6.773 21.590 ( 2.795 -2.942 0.000) 4.058 21.722 ( -2.504 -4.552 0.000) 5.195 21.811 ( 4.405 -5.164 0.000) 6.787 21.972 ( 2.389 -1.774 0.000) 2.976 22.018 ( 0.610 -2.397 0.000) 2.474 22.075 ( -9.372 -1.573 0.000) 9.503 22.253 ( -2.582 0.534 0.000) 2.636 22.300 ( -3.391 -2.808 0.000) 4.403 22.946 ( 10.898 -13.336 0.000) 17.223 23.125 ( -2.041 -15.181 0.000) 15.317 23.343 ( 1.190 -7.938 0.000) 8.027 23.375 ( -0.467 -7.582 0.000) 7.596 23.898 ( 2.059 5.229 0.000) 5.620 23.950 ( -0.605 8.579 0.000) 8.600 23.994 ( 2.238 3.577 0.000) 4.220 24.064 ( 0.075 7.106 0.000) 7.106 24.217 ( 0.127 13.243 0.000) 13.244 24.287 ( -0.476 12.793 0.000) 12.801 24.523 ( 1.178 4.205 0.000) 4.367 24.690 ( -8.875 8.845 0.000) 12.530 24.752 ( 2.336 0.611 0.000) 2.414 24.938 ( -4.813 2.891 0.000) 5.614 24.981 ( -3.200 3.154 0.000) 4.494 25.043 ( -2.448 2.279 0.000) 3.345 25.857 ( 2.249 1.494 0.000) 2.700 25.949 ( -0.802 1.014 0.000) 1.293 26.017 ( -0.229 -0.101 0.000) 0.250 26.050 ( -1.612 0.213 0.000) 1.626 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -4.586 11.674 0.000) 12.543 1.175 ( 4.586 11.674 0.000) 12.543 1.316 ( -5.437 16.542 0.000) 17.412 1.316 ( 5.437 16.542 0.000) 17.412 1.554 ( -5.134 1.361 0.000) 5.311 1.554 ( 5.134 1.361 0.000) 5.311 1.766 ( -12.821 11.911 0.000) 17.500 1.766 ( 12.821 11.911 0.000) 17.500 1.913 ( -1.611 -3.274 0.000) 3.649 1.913 ( 1.611 -3.274 0.000) 3.649 2.059 ( -0.384 9.972 0.000) 9.980 2.059 ( 0.384 9.972 0.000) 9.980 2.332 ( -3.602 2.382 0.000) 4.319 2.332 ( 3.602 2.382 0.000) 4.319 2.454 ( -2.546 -0.355 0.000) 2.571 2.454 ( 2.546 -0.355 0.000) 2.571 2.606 ( -9.453 -6.135 0.000) 11.269 2.606 ( 9.453 -6.135 0.000) 11.269 2.687 ( -0.158 -1.768 0.000) 1.775 2.687 ( 0.158 -1.768 0.000) 1.775 2.906 ( -4.835 -0.988 0.000) 4.934 2.906 ( 4.835 -0.988 0.000) 4.934 3.039 ( -1.373 -0.859 0.000) 1.620 3.039 ( 1.373 -0.859 0.000) 1.620 3.165 ( -0.872 0.178 0.000) 0.890 3.165 ( 0.872 0.178 0.000) 0.890 3.439 ( -3.568 -5.740 0.000) 6.759 3.439 ( 3.568 -5.740 0.000) 6.759 3.577 ( -1.427 -8.506 0.000) 8.625 3.577 ( 1.427 -8.506 0.000) 8.625 3.723 ( -2.126 -5.585 0.000) 5.976 3.723 ( 2.126 -5.585 0.000) 5.976 3.845 ( -1.825 -1.812 0.000) 2.572 3.845 ( 1.825 -1.812 0.000) 2.572 4.019 ( -1.821 -5.491 0.000) 5.785 4.019 ( 1.821 -5.491 0.000) 5.785 4.204 ( -0.859 7.298 0.000) 7.349 4.204 ( 0.859 7.298 0.000) 7.349 4.328 ( -2.735 1.449 0.000) 3.095 4.328 ( 2.735 1.449 0.000) 3.095 4.453 ( -1.402 2.425 0.000) 2.801 4.453 ( 1.402 2.425 0.000) 2.801 4.515 ( -7.683 -0.878 0.000) 7.733 4.515 ( 7.683 -0.878 0.000) 7.733 4.628 ( -0.336 -0.041 0.000) 0.338 4.628 ( 0.336 -0.041 0.000) 0.338 4.779 ( -5.197 -1.751 0.000) 5.484 4.779 ( 5.197 -1.751 0.000) 5.484 4.948 ( -0.126 1.001 0.000) 1.009 4.948 ( 0.126 1.001 0.000) 1.009 5.065 ( -3.523 -0.379 0.000) 3.544 5.065 ( 3.523 -0.379 0.000) 3.544 5.193 ( -0.958 -0.439 0.000) 1.054 5.193 ( 0.958 -0.439 0.000) 1.054 5.372 ( -0.798 4.278 0.000) 4.352 5.372 ( 0.798 4.278 0.000) 4.352 5.414 ( -0.988 1.105 0.000) 1.482 5.414 ( 0.988 1.105 0.000) 1.482 5.508 ( -0.740 -0.645 0.000) 0.982 5.508 ( 0.740 -0.645 0.000) 0.982 5.725 ( -0.598 1.317 0.000) 1.446 5.725 ( 0.598 1.317 0.000) 1.446 5.788 ( -1.542 -2.541 0.000) 2.972 5.788 ( 1.542 -2.541 0.000) 2.972 5.951 ( -0.230 5.165 0.000) 5.170 5.951 ( 0.230 5.165 0.000) 5.170 6.110 ( -0.531 2.487 0.000) 2.543 6.110 ( 0.531 2.487 0.000) 2.543 6.180 ( -0.349 -1.296 0.000) 1.343 6.180 ( 0.349 -1.296 0.000) 1.343 6.342 ( -0.457 5.437 0.000) 5.456 6.342 ( 0.457 5.437 0.000) 5.456 6.417 ( -0.412 -1.323 0.000) 1.385 6.417 ( 0.412 -1.323 0.000) 1.385 6.689 ( -3.175 -0.642 0.000) 3.239 6.689 ( 3.175 -0.642 0.000) 3.239 6.812 ( -0.757 -1.551 0.000) 1.726 6.812 ( 0.757 -1.551 0.000) 1.726 6.986 ( -1.717 2.607 0.000) 3.121 6.986 ( 1.717 2.607 0.000) 3.121 7.067 ( -5.938 6.117 0.000) 8.525 7.067 ( 5.938 6.117 0.000) 8.525 7.428 ( -2.055 1.115 0.000) 2.338 7.428 ( 2.055 1.115 0.000) 2.338 7.810 ( -1.675 0.652 0.000) 1.798 7.810 ( 1.675 0.652 0.000) 1.798 7.848 ( -0.094 1.205 0.000) 1.209 7.848 ( 0.094 1.205 0.000) 1.209 8.024 ( -2.116 1.625 0.000) 2.668 8.024 ( 2.116 1.625 0.000) 2.668 8.429 ( -5.357 -3.416 0.000) 6.354 8.429 ( 5.357 -3.416 0.000) 6.354 8.470 ( -3.611 3.059 0.000) 4.733 8.470 ( 3.611 3.059 0.000) 4.733 8.865 ( -0.021 0.096 0.000) 0.098 8.865 ( 0.021 0.096 0.000) 0.098 8.984 ( -0.504 4.632 0.000) 4.660 8.984 ( 0.504 4.632 0.000) 4.660 9.071 ( -3.492 0.916 0.000) 3.611 9.071 ( 3.492 0.916 0.000) 3.611 9.323 ( -0.337 -1.309 0.000) 1.352 9.323 ( 0.337 -1.309 0.000) 1.352 9.466 ( -2.740 4.539 0.000) 5.302 9.466 ( 2.740 4.539 0.000) 5.302 9.899 ( -2.660 -3.281 0.000) 4.224 9.899 ( 2.660 -3.281 0.000) 4.224 10.202 ( -3.110 -2.683 0.000) 4.107 10.202 ( 3.110 -2.683 0.000) 4.107 10.489 ( -3.780 -6.363 0.000) 7.401 10.489 ( 3.780 -6.363 0.000) 7.401 11.013 ( -7.402 -5.448 0.000) 9.191 11.013 ( 7.402 -5.448 0.000) 9.191 12.107 ( -0.319 0.723 0.000) 0.790 12.107 ( 0.319 0.723 0.000) 0.790 12.392 ( -0.400 0.132 0.000) 0.421 12.392 ( 0.400 0.132 0.000) 0.421 13.015 ( -0.628 3.336 0.000) 3.394 13.015 ( 0.628 3.336 0.000) 3.394 13.320 ( -0.659 -3.351 0.000) 3.415 13.320 ( 0.659 -3.351 0.000) 3.415 13.397 ( -0.251 -2.600 0.000) 2.612 13.397 ( 0.251 -2.600 0.000) 2.612 13.569 ( -1.355 -1.328 0.000) 1.898 13.569 ( 1.355 -1.328 0.000) 1.898 13.719 ( -11.932 2.633 0.000) 12.219 13.719 ( 11.932 2.633 0.000) 12.219 13.941 ( -5.711 -0.175 0.000) 5.714 13.941 ( 5.711 -0.175 0.000) 5.714 14.195 ( -1.470 -0.982 0.000) 1.768 14.195 ( 1.470 -0.982 0.000) 1.768 14.317 ( -0.227 -0.808 0.000) 0.840 14.317 ( 0.227 -0.808 0.000) 0.840 14.530 ( -0.540 -6.192 0.000) 6.215 14.530 ( 0.540 -6.192 0.000) 6.215 14.661 ( -3.625 -7.689 0.000) 8.500 14.661 ( 3.625 -7.689 0.000) 8.500 14.899 ( -0.325 2.800 0.000) 2.818 14.899 ( 0.325 2.800 0.000) 2.818 14.960 ( -2.576 -0.496 0.000) 2.624 14.960 ( 2.576 -0.496 0.000) 2.624 15.157 ( -0.020 -0.315 0.000) 0.315 15.157 ( 0.020 -0.315 0.000) 0.315 15.487 ( -0.411 -11.127 0.000) 11.135 15.487 ( 0.411 -11.127 0.000) 11.135 15.767 ( -0.980 2.781 0.000) 2.948 15.767 ( 0.980 2.781 0.000) 2.948 16.176 ( -3.047 10.349 0.000) 10.788 16.176 ( 3.047 10.349 0.000) 10.788 16.489 ( -0.471 8.012 0.000) 8.026 16.489 ( 0.471 8.012 0.000) 8.026 17.017 ( -0.808 -2.324 0.000) 2.460 17.017 ( 0.808 -2.324 0.000) 2.460 18.682 ( -2.555 3.008 0.000) 3.947 18.682 ( 2.555 3.008 0.000) 3.947 19.218 ( -2.741 -1.194 0.000) 2.990 19.218 ( 2.741 -1.194 0.000) 2.990 20.631 ( -2.679 -0.412 0.000) 2.710 20.631 ( 2.679 -0.412 0.000) 2.710 20.904 ( -2.748 -0.706 0.000) 2.837 20.904 ( 2.748 -0.706 0.000) 2.837 21.044 ( -1.233 -1.519 0.000) 1.956 21.044 ( 1.233 -1.519 0.000) 1.956 21.417 ( -0.825 -6.306 0.000) 6.360 21.417 ( 0.825 -6.306 0.000) 6.360 21.662 ( -1.991 -5.092 0.000) 5.468 21.662 ( 1.991 -5.092 0.000) 5.468 21.918 ( -6.622 -2.494 0.000) 7.077 21.918 ( 6.622 -2.494 0.000) 7.077 22.014 ( -0.158 -1.835 0.000) 1.841 22.014 ( 0.158 -1.835 0.000) 1.841 22.247 ( -1.366 -1.603 0.000) 2.106 22.247 ( 1.366 -1.603 0.000) 2.106 23.074 ( -0.968 -15.776 0.000) 15.806 23.074 ( 0.968 -15.776 0.000) 15.806 23.363 ( -0.374 -7.916 0.000) 7.924 23.363 ( 0.374 -7.916 0.000) 7.924 23.932 ( -0.497 7.115 0.000) 7.133 23.932 ( 0.497 7.115 0.000) 7.133 24.044 ( -2.011 3.356 0.000) 3.912 24.044 ( 2.011 3.356 0.000) 3.912 24.246 ( -1.264 19.780 0.000) 19.820 24.246 ( 1.264 19.780 0.000) 19.820 24.564 ( -0.846 6.485 0.000) 6.540 24.564 ( 0.846 6.485 0.000) 6.540 24.829 ( -1.292 0.901 0.000) 1.575 24.829 ( 1.292 0.901 0.000) 1.575 24.998 ( -0.349 0.699 0.000) 0.781 24.998 ( 0.349 0.699 0.000) 0.781 25.908 ( -1.833 1.593 0.000) 2.428 25.908 ( 1.833 1.593 0.000) 2.428 26.027 ( -0.432 -0.649 0.000) 0.779 26.027 ( 0.432 -0.649 0.000) 0.779 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 24.939 0.000) 24.939 1.055 ( 0.000 15.160 0.000) 15.160 1.374 ( 0.000 3.635 0.000) 3.635 1.511 ( 0.000 -11.159 0.000) 11.159 1.655 ( 0.000 -3.140 0.000) 3.140 1.660 ( 0.000 -8.236 0.000) 8.236 1.725 ( 0.000 10.162 0.000) 10.162 1.869 ( 0.000 2.387 0.000) 2.387 1.933 ( 0.000 8.932 0.000) 8.932 1.997 ( 0.000 15.676 0.000) 15.676 2.125 ( 0.000 -14.621 0.000) 14.621 2.157 ( 0.000 -2.104 0.000) 2.104 2.189 ( 0.000 14.255 0.000) 14.255 2.393 ( 0.000 0.211 0.000) 0.211 2.403 ( 0.000 6.403 0.000) 6.403 2.532 ( 0.000 -5.769 0.000) 5.769 2.562 ( 0.000 6.020 0.000) 6.020 2.668 ( 0.000 0.581 0.000) 0.581 2.709 ( 0.000 -5.368 0.000) 5.368 2.813 ( 0.000 -0.133 0.000) 0.133 2.899 ( 0.000 5.707 0.000) 5.707 2.900 ( 0.000 2.439 0.000) 2.439 2.911 ( 0.000 3.555 0.000) 3.555 3.081 ( 0.000 -2.205 0.000) 2.205 3.122 ( 0.000 -1.659 0.000) 1.659 3.183 ( 0.000 -1.796 0.000) 1.796 3.327 ( 0.000 0.076 0.000) 0.076 3.401 ( 0.000 -5.320 0.000) 5.320 3.406 ( 0.000 -0.136 0.000) 0.136 3.577 ( 0.000 -4.591 0.000) 4.591 3.686 ( 0.000 -4.441 0.000) 4.441 3.752 ( 0.000 -4.310 0.000) 4.310 3.784 ( 0.000 -3.479 0.000) 3.479 3.811 ( 0.000 3.143 0.000) 3.143 3.894 ( 0.000 1.235 0.000) 1.235 4.024 ( 0.000 -6.671 0.000) 6.671 4.211 ( 0.000 0.755 0.000) 0.755 4.285 ( 0.000 -1.332 0.000) 1.332 4.302 ( 0.000 1.015 0.000) 1.015 4.436 ( 0.000 2.477 0.000) 2.477 4.475 ( 0.000 -2.610 0.000) 2.610 4.498 ( 0.000 7.387 0.000) 7.387 4.604 ( 0.000 5.806 0.000) 5.806 4.607 ( 0.000 2.801 0.000) 2.801 4.648 ( 0.000 -2.775 0.000) 2.775 4.699 ( 0.000 0.462 0.000) 0.462 4.718 ( 0.000 3.277 0.000) 3.277 4.865 ( 0.000 -0.643 0.000) 0.643 4.921 ( 0.000 1.936 0.000) 1.936 4.977 ( 0.000 -0.390 0.000) 0.390 5.040 ( 0.000 -1.646 0.000) 1.646 5.120 ( 0.000 1.452 0.000) 1.452 5.191 ( 0.000 5.685 0.000) 5.685 5.234 ( 0.000 7.724 0.000) 7.724 5.323 ( 0.000 -0.376 0.000) 0.376 5.372 ( 0.000 -0.354 0.000) 0.354 5.392 ( 0.000 -6.974 0.000) 6.974 5.441 ( 0.000 -2.434 0.000) 2.434 5.577 ( 0.000 -3.713 0.000) 3.713 5.599 ( 0.000 -5.953 0.000) 5.953 5.712 ( 0.000 4.297 0.000) 4.297 5.736 ( 0.000 8.074 0.000) 8.074 5.740 ( 0.000 -0.369 0.000) 0.369 5.834 ( 0.000 3.717 0.000) 3.717 6.011 ( 0.000 0.764 0.000) 0.764 6.090 ( 0.000 0.030 0.000) 0.030 6.126 ( 0.000 -1.019 0.000) 1.019 6.149 ( 0.000 0.321 0.000) 0.321 6.174 ( 0.000 -2.476 0.000) 2.476 6.210 ( 0.000 2.827 0.000) 2.827 6.230 ( 0.000 -1.144 0.000) 1.144 6.342 ( 0.000 5.176 0.000) 5.176 6.382 ( 0.000 9.534 0.000) 9.534 6.487 ( 0.000 -3.353 0.000) 3.353 6.533 ( 0.000 2.905 0.000) 2.905 6.597 ( 0.000 -0.883 0.000) 0.883 6.734 ( 0.000 0.972 0.000) 0.972 6.786 ( 0.000 -0.068 0.000) 0.068 6.976 ( 0.000 5.347 0.000) 5.347 7.078 ( 0.000 6.009 0.000) 6.009 7.359 ( 0.000 12.939 0.000) 12.939 7.383 ( 0.000 -5.184 0.000) 5.184 7.395 ( 0.000 -2.207 0.000) 2.207 7.549 ( 0.000 -2.779 0.000) 2.779 7.802 ( 0.000 2.103 0.000) 2.103 7.856 ( 0.000 2.429 0.000) 2.429 7.924 ( 0.000 3.378 0.000) 3.378 7.984 ( 0.000 0.830 0.000) 0.830 8.075 ( 0.000 3.655 0.000) 3.655 8.191 ( 0.000 2.560 0.000) 2.560 8.233 ( 0.000 -1.447 0.000) 1.447 8.315 ( 0.000 0.246 0.000) 0.246 8.513 ( 0.000 4.299 0.000) 4.299 8.552 ( 0.000 -0.326 0.000) 0.326 8.817 ( 0.000 -3.471 0.000) 3.471 8.826 ( 0.000 5.603 0.000) 5.603 8.976 ( 0.000 3.236 0.000) 3.236 9.001 ( 0.000 2.561 0.000) 2.561 9.103 ( 0.000 4.084 0.000) 4.084 9.193 ( 0.000 -3.094 0.000) 3.094 9.303 ( 0.000 4.293 0.000) 4.293 9.322 ( 0.000 -5.662 0.000) 5.662 9.605 ( 0.000 3.742 0.000) 3.742 9.698 ( 0.000 -4.656 0.000) 4.656 9.735 ( 0.000 5.934 0.000) 5.934 9.847 ( 0.000 0.678 0.000) 0.678 9.903 ( 0.000 -14.081 0.000) 14.081 9.985 ( 0.000 -3.044 0.000) 3.044 10.353 ( 0.000 -12.631 0.000) 12.631 10.457 ( 0.000 -12.908 0.000) 12.908 10.807 ( 0.000 -0.541 0.000) 0.541 11.041 ( 0.000 -7.711 0.000) 7.711 12.076 ( 0.000 1.285 0.000) 1.285 12.208 ( 0.000 3.429 0.000) 3.429 12.293 ( 0.000 -1.828 0.000) 1.828 12.387 ( 0.000 -1.975 0.000) 1.975 13.017 ( 0.000 0.863 0.000) 0.863 13.114 ( 0.000 -7.069 0.000) 7.069 13.155 ( 0.000 -3.779 0.000) 3.779 13.263 ( 0.000 -6.960 0.000) 6.960 13.314 ( 0.000 -0.833 0.000) 0.833 13.386 ( 0.000 2.516 0.000) 2.516 13.415 ( 0.000 0.616 0.000) 0.616 13.588 ( 0.000 1.540 0.000) 1.540 13.670 ( 0.000 1.500 0.000) 1.500 13.757 ( 0.000 -0.334 0.000) 0.334 14.008 ( 0.000 -1.417 0.000) 1.417 14.094 ( 0.000 -0.675 0.000) 0.675 14.122 ( 0.000 -1.329 0.000) 1.329 14.244 ( 0.000 -1.445 0.000) 1.445 14.256 ( 0.000 -1.529 0.000) 1.529 14.336 ( 0.000 1.781 0.000) 1.781 14.386 ( 0.000 -5.401 0.000) 5.401 14.451 ( 0.000 -3.587 0.000) 3.587 14.556 ( 0.000 -6.557 0.000) 6.557 14.601 ( 0.000 -9.265 0.000) 9.265 14.901 ( 0.000 0.754 0.000) 0.754 14.934 ( 0.000 2.921 0.000) 2.921 14.976 ( 0.000 1.116 0.000) 1.116 15.061 ( 0.000 -1.715 0.000) 1.715 15.082 ( 0.000 -0.673 0.000) 0.673 15.141 ( 0.000 -1.351 0.000) 1.351 15.207 ( 0.000 6.408 0.000) 6.408 15.418 ( 0.000 -6.622 0.000) 6.622 15.628 ( 0.000 3.444 0.000) 3.444 15.679 ( 0.000 2.544 0.000) 2.544 16.399 ( 0.000 11.749 0.000) 11.749 16.523 ( 0.000 8.462 0.000) 8.462 16.659 ( 0.000 3.056 0.000) 3.056 16.674 ( 0.000 5.877 0.000) 5.877 16.829 ( 0.000 -0.417 0.000) 0.417 17.014 ( 0.000 -2.935 0.000) 2.935 18.702 ( 0.000 5.221 0.000) 5.221 18.832 ( 0.000 5.051 0.000) 5.051 19.067 ( 0.000 -3.354 0.000) 3.354 19.294 ( 0.000 -4.348 0.000) 4.348 20.583 ( 0.000 0.084 0.000) 0.084 20.756 ( 0.000 -1.975 0.000) 1.975 20.765 ( 0.000 -6.055 0.000) 6.055 20.843 ( 0.000 -0.120 0.000) 0.120 20.978 ( 0.000 -0.077 0.000) 0.077 21.039 ( 0.000 0.574 0.000) 0.574 21.218 ( 0.000 -1.748 0.000) 1.748 21.378 ( 0.000 -6.732 0.000) 6.732 21.543 ( 0.000 -2.043 0.000) 2.043 21.592 ( 0.000 -6.116 0.000) 6.116 21.699 ( 0.000 -4.103 0.000) 4.103 21.843 ( 0.000 -8.655 0.000) 8.655 21.969 ( 0.000 -1.178 0.000) 1.178 22.063 ( 0.000 -4.081 0.000) 4.081 22.219 ( 0.000 -3.350 0.000) 3.350 22.312 ( 0.000 -3.873 0.000) 3.873 22.825 ( 0.000 5.388 0.000) 5.388 22.978 ( 0.000 -3.442 0.000) 3.442 23.201 ( 0.000 -5.509 0.000) 5.509 23.251 ( 0.000 -5.999 0.000) 5.999 23.893 ( 0.000 -1.102 0.000) 1.102 23.921 ( 0.000 -3.618 0.000) 3.618 24.087 ( 0.000 3.010 0.000) 3.010 24.109 ( 0.000 -0.326 0.000) 0.326 24.419 ( 0.000 5.429 0.000) 5.429 24.508 ( 0.000 10.279 0.000) 10.279 24.644 ( 0.000 7.990 0.000) 7.990 24.729 ( 0.000 2.885 0.000) 2.885 24.842 ( 0.000 3.643 0.000) 3.643 24.934 ( 0.000 1.400 0.000) 1.400 25.143 ( 0.000 4.923 0.000) 4.923 25.218 ( 0.000 3.148 0.000) 3.148 25.870 ( 0.000 2.097 0.000) 2.097 25.962 ( 0.000 0.774 0.000) 0.774 26.044 ( 0.000 1.346 0.000) 1.346 26.093 ( 0.000 0.678 0.000) 0.678 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 9.567 10.860 0.000) 14.474 1.222 ( 18.046 17.649 0.000) 25.242 1.413 ( 4.433 2.780 0.000) 5.233 1.562 ( 5.687 -9.458 0.000) 11.036 1.605 ( -3.759 -5.352 0.000) 6.540 1.643 ( -7.188 5.599 0.000) 9.112 1.752 ( -3.023 -1.767 0.000) 3.501 1.870 ( -4.034 1.740 0.000) 4.394 1.909 ( 6.929 1.960 0.000) 7.201 2.107 ( 1.884 3.416 0.000) 3.901 2.148 ( -0.712 -2.200 0.000) 2.312 2.189 ( 14.799 13.796 0.000) 20.232 2.287 ( 7.278 2.340 0.000) 7.645 2.327 ( -3.941 0.105 0.000) 3.943 2.376 ( -2.396 3.496 0.000) 4.238 2.497 ( -2.777 2.033 0.000) 3.442 2.556 ( -0.436 3.674 0.000) 3.700 2.650 ( -2.736 2.324 0.000) 3.590 2.716 ( 2.387 -2.868 0.000) 3.732 2.749 ( -4.772 -0.329 0.000) 4.783 2.901 ( -1.160 5.528 0.000) 5.648 2.922 ( 1.559 2.892 0.000) 3.286 2.937 ( 2.124 -0.234 0.000) 2.137 3.088 ( 1.705 -2.351 0.000) 2.904 3.134 ( -1.642 0.712 0.000) 1.790 3.178 ( 1.426 -1.170 0.000) 1.844 3.339 ( -0.063 -1.943 0.000) 1.944 3.388 ( -2.609 -0.941 0.000) 2.773 3.421 ( 1.276 -2.393 0.000) 2.712 3.570 ( -0.756 -4.346 0.000) 4.411 3.618 ( -6.657 -2.716 0.000) 7.189 3.697 ( -4.938 -4.753 0.000) 6.853 3.766 ( 0.098 0.764 0.000) 0.770 3.859 ( 4.419 -1.096 0.000) 4.553 3.884 ( -1.302 -0.827 0.000) 1.543 4.080 ( 3.090 -4.890 0.000) 5.785 4.155 ( -2.288 0.850 0.000) 2.441 4.233 ( -6.439 -2.066 0.000) 6.762 4.315 ( 2.156 1.319 0.000) 2.527 4.407 ( -0.477 -1.039 0.000) 1.144 4.475 ( 2.131 0.373 0.000) 2.163 4.530 ( -0.466 -0.756 0.000) 0.888 4.564 ( -1.278 7.949 0.000) 8.051 4.594 ( -1.299 8.643 0.000) 8.740 4.629 ( -2.818 -2.918 0.000) 4.056 4.652 ( -5.078 2.466 0.000) 5.645 4.719 ( 0.857 -0.763 0.000) 1.148 4.841 ( -2.519 -2.735 0.000) 3.718 4.913 ( -0.704 0.284 0.000) 0.759 4.962 ( -1.611 0.618 0.000) 1.725 5.053 ( -0.756 1.865 0.000) 2.012 5.102 ( 1.671 -1.914 0.000) 2.541 5.194 ( -2.686 3.765 0.000) 4.625 5.243 ( 0.927 1.210 0.000) 1.524 5.336 ( 2.063 -4.055 0.000) 4.550 5.390 ( 2.369 1.041 0.000) 2.588 5.430 ( 5.775 3.760 0.000) 6.891 5.451 ( -0.372 -1.295 0.000) 1.347 5.542 ( -6.308 -0.277 0.000) 6.314 5.612 ( 0.865 -5.123 0.000) 5.196 5.662 ( -0.048 -2.289 0.000) 2.290 5.692 ( -3.656 6.833 0.000) 7.750 5.750 ( 1.640 2.302 0.000) 2.827 5.891 ( -0.168 1.806 0.000) 1.814 6.030 ( 1.489 4.059 0.000) 4.324 6.054 ( -2.002 1.544 0.000) 2.528 6.086 ( -0.420 -0.747 0.000) 0.857 6.131 ( -0.280 2.436 0.000) 2.452 6.166 ( 0.674 -1.204 0.000) 1.380 6.251 ( -1.002 4.635 0.000) 4.742 6.302 ( 3.265 1.589 0.000) 3.631 6.364 ( 4.463 -3.915 0.000) 5.937 6.416 ( 1.433 5.157 0.000) 5.352 6.460 ( -0.537 -0.656 0.000) 0.847 6.588 ( 4.332 2.113 0.000) 4.820 6.651 ( 4.189 -0.612 0.000) 4.234 6.729 ( 0.457 -0.291 0.000) 0.542 6.831 ( 1.388 -1.131 0.000) 1.791 6.957 ( -0.142 3.177 0.000) 3.180 7.071 ( -0.294 5.633 0.000) 5.641 7.300 ( -2.413 10.597 0.000) 10.868 7.336 ( -4.674 5.097 0.000) 6.916 7.452 ( 0.750 5.314 0.000) 5.367 7.522 ( -2.574 -8.062 0.000) 8.463 7.716 ( -3.162 0.561 0.000) 3.211 7.809 ( -3.824 -0.242 0.000) 3.831 7.907 ( -1.369 2.407 0.000) 2.769 8.018 ( 2.102 1.086 0.000) 2.366 8.049 ( -3.457 7.223 0.000) 8.008 8.091 ( -7.371 -1.720 0.000) 7.569 8.265 ( 5.920 1.812 0.000) 6.191 8.379 ( 2.676 -3.218 0.000) 4.185 8.489 ( 1.167 3.394 0.000) 3.589 8.633 ( 0.211 2.836 0.000) 2.843 8.787 ( 1.985 -1.729 0.000) 2.632 8.882 ( 1.595 4.791 0.000) 5.050 8.968 ( 1.849 2.613 0.000) 3.201 9.074 ( 3.510 4.139 0.000) 5.427 9.102 ( 1.227 3.628 0.000) 3.830 9.150 ( -3.516 -4.524 0.000) 5.729 9.288 ( -2.633 -0.696 0.000) 2.723 9.338 ( 1.390 0.992 0.000) 1.708 9.560 ( -2.646 3.313 0.000) 4.240 9.613 ( -3.281 3.784 0.000) 5.009 9.774 ( 1.081 -3.587 0.000) 3.747 9.863 ( -2.534 -8.111 0.000) 8.498 9.990 ( 8.977 -2.426 0.000) 9.299 10.045 ( 5.325 -5.655 0.000) 7.768 10.283 ( -2.850 -11.784 0.000) 12.124 10.505 ( -0.881 -10.142 0.000) 10.180 10.792 ( 0.942 -2.594 0.000) 2.760 10.996 ( -4.538 -7.771 0.000) 8.999 12.091 ( 1.450 1.119 0.000) 1.831 12.172 ( -2.549 1.833 0.000) 3.140 12.340 ( 3.456 -0.369 0.000) 3.476 12.397 ( 0.603 -1.113 0.000) 1.266 13.026 ( 1.050 0.242 0.000) 1.077 13.106 ( -2.730 -2.613 0.000) 3.779 13.161 ( 3.253 -5.815 0.000) 6.663 13.256 ( -1.018 -5.752 0.000) 5.841 13.325 ( 1.083 -1.367 0.000) 1.744 13.384 ( -1.392 -0.432 0.000) 1.458 13.456 ( 4.679 0.769 0.000) 4.741 13.599 ( -0.334 -0.354 0.000) 0.487 13.659 ( 1.262 3.298 0.000) 3.532 13.807 ( 4.515 -0.027 0.000) 4.515 13.979 ( -6.271 -1.130 0.000) 6.372 14.028 ( -3.527 1.146 0.000) 3.708 14.152 ( 1.006 -1.616 0.000) 1.904 14.233 ( -1.602 -0.393 0.000) 1.650 14.279 ( 1.399 -1.812 0.000) 2.289 14.295 ( -1.600 -0.626 0.000) 1.718 14.389 ( 0.556 -5.421 0.000) 5.450 14.420 ( -1.133 -4.750 0.000) 4.883 14.514 ( -3.321 -5.616 0.000) 6.524 14.572 ( -3.430 -8.931 0.000) 9.567 14.885 ( -0.550 0.405 0.000) 0.683 14.937 ( -1.698 1.691 0.000) 2.397 14.949 ( 1.824 0.565 0.000) 1.909 15.069 ( -3.727 1.096 0.000) 3.885 15.126 ( 3.794 -0.718 0.000) 3.862 15.142 ( 3.156 1.352 0.000) 3.434 15.264 ( 2.914 -1.480 0.000) 3.268 15.361 ( -3.665 -6.763 0.000) 7.692 15.726 ( 7.722 3.767 0.000) 8.592 15.770 ( 6.986 2.811 0.000) 7.531 16.369 ( -2.217 10.895 0.000) 11.119 16.473 ( -5.659 7.780 0.000) 9.621 16.626 ( -0.531 6.430 0.000) 6.452 16.664 ( -0.954 6.219 0.000) 6.291 16.890 ( 4.310 -2.420 0.000) 4.943 17.002 ( -1.324 -3.063 0.000) 3.337 18.719 ( 1.686 5.187 0.000) 5.454 18.809 ( -2.096 4.950 0.000) 5.376 19.100 ( 3.158 -3.182 0.000) 4.483 19.256 ( -3.571 -3.618 0.000) 5.084 20.585 ( 0.656 -0.073 0.000) 0.661 20.687 ( -4.124 -1.965 0.000) 4.568 20.806 ( 2.805 -3.679 0.000) 4.626 20.901 ( 2.988 -3.258 0.000) 4.421 20.960 ( -0.779 0.116 0.000) 0.788 21.046 ( -0.083 -0.583 0.000) 0.589 21.243 ( 2.448 -2.869 0.000) 3.771 21.355 ( -2.247 -6.506 0.000) 6.883 21.542 ( 1.021 -2.327 0.000) 2.541 21.618 ( 0.048 -5.026 0.000) 5.027 21.701 ( 1.887 -5.645 0.000) 5.952 21.831 ( -1.650 -10.034 0.000) 10.169 21.987 ( 1.647 -0.419 0.000) 1.699 22.045 ( -1.340 -1.211 0.000) 1.806 22.214 ( -0.609 -2.915 0.000) 2.978 22.258 ( -4.041 -1.954 0.000) 4.489 22.861 ( 2.797 1.103 0.000) 3.007 22.952 ( -2.166 -3.446 0.000) 4.070 23.211 ( 0.911 -5.654 0.000) 5.727 23.245 ( -0.630 -5.960 0.000) 5.993 23.931 ( 3.383 -0.818 0.000) 3.481 23.951 ( 2.662 -2.834 0.000) 3.888 24.071 ( -1.535 2.199 0.000) 2.682 24.092 ( -1.806 -0.737 0.000) 1.950 24.456 ( 3.392 5.618 0.000) 6.562 24.525 ( 1.184 10.058 0.000) 10.128 24.650 ( 0.758 5.867 0.000) 5.916 24.739 ( -0.514 1.069 0.000) 1.186 24.830 ( 1.095 7.587 0.000) 7.665 24.960 ( 2.184 2.458 0.000) 3.288 25.109 ( -3.647 5.008 0.000) 6.196 25.121 ( -8.136 6.689 0.000) 10.532 25.894 ( 2.369 2.160 0.000) 3.205 25.972 ( 0.651 1.053 0.000) 1.238 26.028 ( -1.574 1.156 0.000) 1.952 26.058 ( -2.628 0.717 0.000) 2.724 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -6.930 6.810 0.000) 9.716 1.378 ( 6.930 6.810 0.000) 9.716 1.497 ( -5.427 1.630 0.000) 5.666 1.497 ( 5.427 1.630 0.000) 5.666 1.606 ( -6.357 4.560 0.000) 7.823 1.606 ( 6.357 4.560 0.000) 7.823 1.713 ( -7.819 -6.951 0.000) 10.463 1.713 ( 7.819 -6.951 0.000) 10.463 2.081 ( -2.780 1.778 0.000) 3.300 2.081 ( 2.780 1.778 0.000) 3.300 2.205 ( -5.229 0.399 0.000) 5.245 2.205 ( 5.229 0.399 0.000) 5.245 2.364 ( -0.012 4.488 0.000) 4.488 2.364 ( 0.012 4.488 0.000) 4.488 2.441 ( -3.633 4.224 0.000) 5.571 2.441 ( 3.633 4.224 0.000) 5.571 2.596 ( -3.419 4.146 0.000) 5.373 2.596 ( 3.419 4.146 0.000) 5.373 2.711 ( -0.741 2.622 0.000) 2.724 2.711 ( 0.741 2.622 0.000) 2.724 2.913 ( -4.461 0.502 0.000) 4.489 2.913 ( 4.461 0.502 0.000) 4.489 3.014 ( -2.778 1.034 0.000) 2.964 3.014 ( 2.778 1.034 0.000) 2.964 3.171 ( -0.398 1.025 0.000) 1.099 3.171 ( 0.398 1.025 0.000) 1.099 3.337 ( -1.509 -2.194 0.000) 2.663 3.337 ( 1.509 -2.194 0.000) 2.663 3.464 ( -3.261 -3.077 0.000) 4.484 3.464 ( 3.261 -3.077 0.000) 4.484 3.600 ( -2.205 -4.492 0.000) 5.004 3.600 ( 2.205 -4.492 0.000) 5.004 3.833 ( -0.649 -0.582 0.000) 0.872 3.833 ( 0.649 -0.582 0.000) 0.872 3.980 ( -7.459 1.912 0.000) 7.700 3.980 ( 7.459 1.912 0.000) 7.700 4.171 ( -0.137 -4.701 0.000) 4.703 4.171 ( 0.137 -4.701 0.000) 4.703 4.407 ( -2.616 1.417 0.000) 2.976 4.407 ( 2.616 1.417 0.000) 2.976 4.508 ( -1.720 -6.698 0.000) 6.916 4.508 ( 1.720 -6.698 0.000) 6.916 4.545 ( -0.142 3.018 0.000) 3.021 4.545 ( 0.142 3.018 0.000) 3.021 4.584 ( -0.043 7.837 0.000) 7.838 4.584 ( 0.043 7.837 0.000) 7.838 4.764 ( -2.682 -0.014 0.000) 2.682 4.764 ( 2.682 -0.014 0.000) 2.682 4.928 ( -0.618 -2.592 0.000) 2.665 4.928 ( 0.618 -2.592 0.000) 2.665 5.085 ( -0.523 0.051 0.000) 0.525 5.085 ( 0.523 0.051 0.000) 0.525 5.202 ( -2.234 1.187 0.000) 2.530 5.202 ( 2.234 1.187 0.000) 2.530 5.410 ( -1.411 -1.506 0.000) 2.064 5.410 ( 1.411 -1.506 0.000) 2.064 5.446 ( -0.313 1.881 0.000) 1.906 5.446 ( 0.313 1.881 0.000) 1.906 5.564 ( -4.894 6.632 0.000) 8.243 5.564 ( 4.894 6.632 0.000) 8.243 5.643 ( -0.046 -6.221 0.000) 6.222 5.643 ( 0.046 -6.221 0.000) 6.222 5.829 ( -3.873 3.044 0.000) 4.926 5.829 ( 3.873 3.044 0.000) 4.926 6.038 ( -0.056 2.179 0.000) 2.180 6.038 ( 0.056 2.179 0.000) 2.180 6.111 ( -1.319 2.846 0.000) 3.136 6.111 ( 1.319 2.846 0.000) 3.136 6.208 ( -0.478 2.270 0.000) 2.319 6.208 ( 0.478 2.270 0.000) 2.319 6.364 ( -0.319 -1.454 0.000) 1.488 6.364 ( 0.319 -1.454 0.000) 1.488 6.458 ( -0.247 0.935 0.000) 0.967 6.458 ( 0.247 0.935 0.000) 0.967 6.668 ( -1.023 0.513 0.000) 1.144 6.668 ( 1.023 0.513 0.000) 1.144 6.781 ( -1.581 -0.648 0.000) 1.708 6.781 ( 1.581 -0.648 0.000) 1.708 7.028 ( -3.681 1.094 0.000) 3.840 7.028 ( 3.681 1.094 0.000) 3.840 7.279 ( -0.027 13.153 0.000) 13.153 7.279 ( 0.027 13.153 0.000) 13.153 7.449 ( -0.147 0.776 0.000) 0.790 7.449 ( 0.147 0.776 0.000) 0.790 7.750 ( -0.356 -2.557 0.000) 2.582 7.750 ( 0.356 -2.557 0.000) 2.582 7.920 ( -0.917 1.302 0.000) 1.593 7.920 ( 0.917 1.302 0.000) 1.593 8.051 ( -0.089 2.296 0.000) 2.298 8.051 ( 0.089 2.296 0.000) 2.298 8.369 ( -0.818 -2.253 0.000) 2.397 8.369 ( 0.818 -2.253 0.000) 2.397 8.552 ( -3.642 4.899 0.000) 6.105 8.552 ( 3.642 4.899 0.000) 6.105 8.869 ( -0.856 0.625 0.000) 1.060 8.869 ( 0.856 0.625 0.000) 1.060 9.040 ( -1.892 -0.159 0.000) 1.899 9.040 ( 1.892 -0.159 0.000) 1.899 9.121 ( -0.731 4.986 0.000) 5.040 9.121 ( 0.731 4.986 0.000) 5.040 9.305 ( -3.558 -0.583 0.000) 3.605 9.305 ( 3.558 -0.583 0.000) 3.605 9.560 ( -0.718 4.556 0.000) 4.612 9.560 ( 0.718 4.556 0.000) 4.612 9.811 ( -0.766 -5.697 0.000) 5.748 9.811 ( 0.766 -5.697 0.000) 5.748 10.089 ( -0.389 -8.506 0.000) 8.515 10.089 ( 0.389 -8.506 0.000) 8.515 10.370 ( -9.150 -5.317 0.000) 10.583 10.370 ( 9.150 -5.317 0.000) 10.583 10.882 ( -6.471 -7.183 0.000) 9.668 10.882 ( 6.471 -7.183 0.000) 9.668 12.126 ( -0.362 1.093 0.000) 1.151 12.126 ( 0.362 1.093 0.000) 1.151 12.392 ( -0.141 -0.159 0.000) 0.213 12.392 ( 0.141 -0.159 0.000) 0.213 13.057 ( -1.952 -0.655 0.000) 2.059 13.057 ( 1.952 -0.655 0.000) 2.059 13.223 ( -2.489 -5.735 0.000) 6.252 13.223 ( 2.489 -5.735 0.000) 6.252 13.352 ( -0.262 -1.133 0.000) 1.163 13.352 ( 0.262 -1.133 0.000) 1.163 13.548 ( -1.265 -0.770 0.000) 1.481 13.548 ( 1.265 -0.770 0.000) 1.481 13.773 ( -9.327 2.794 0.000) 9.737 13.773 ( 9.327 2.794 0.000) 9.737 13.938 ( -4.459 -0.043 0.000) 4.459 13.938 ( 4.459 -0.043 0.000) 4.459 14.180 ( -2.287 -0.215 0.000) 2.297 14.180 ( 2.287 -0.215 0.000) 2.297 14.292 ( -0.119 -1.698 0.000) 1.702 14.292 ( 0.119 -1.698 0.000) 1.702 14.416 ( -1.349 -4.958 0.000) 5.139 14.416 ( 1.349 -4.958 0.000) 5.139 14.494 ( -3.076 -8.276 0.000) 8.829 14.494 ( 3.076 -8.276 0.000) 8.829 14.901 ( -0.274 -0.189 0.000) 0.333 14.901 ( 0.274 -0.189 0.000) 0.333 15.002 ( -2.295 1.893 0.000) 2.975 15.002 ( 2.295 1.893 0.000) 2.975 15.170 ( -0.014 1.521 0.000) 1.521 15.170 ( 0.014 1.521 0.000) 1.521 15.308 ( -0.317 -6.814 0.000) 6.821 15.308 ( 0.317 -6.814 0.000) 6.821 15.837 ( -0.220 3.794 0.000) 3.801 15.837 ( 0.220 3.794 0.000) 3.801 16.367 ( -1.167 9.080 0.000) 9.154 16.367 ( 1.167 9.080 0.000) 9.154 16.641 ( -0.133 6.979 0.000) 6.980 16.641 ( 0.133 6.979 0.000) 6.980 16.961 ( -1.262 -3.216 0.000) 3.454 16.961 ( 1.262 -3.216 0.000) 3.454 18.762 ( -1.951 5.051 0.000) 5.415 18.762 ( 1.951 5.051 0.000) 5.415 19.176 ( -3.586 -3.108 0.000) 4.746 19.176 ( 3.586 -3.108 0.000) 4.746 20.618 ( -1.907 -0.883 0.000) 2.101 20.618 ( 1.907 -0.883 0.000) 2.101 20.871 ( -0.947 -3.120 0.000) 3.260 20.871 ( 0.947 -3.120 0.000) 3.260 21.012 ( -1.291 -1.351 0.000) 1.869 21.012 ( 1.291 -1.351 0.000) 1.869 21.301 ( -0.312 -4.951 0.000) 4.961 21.301 ( 0.312 -4.951 0.000) 4.961 21.582 ( -0.486 -3.382 0.000) 3.416 21.582 ( 0.486 -3.382 0.000) 3.416 21.772 ( -2.854 -9.066 0.000) 9.505 21.772 ( 2.854 -9.066 0.000) 9.505 22.020 ( -0.342 0.864 0.000) 0.929 22.020 ( 0.342 0.864 0.000) 0.929 22.208 ( -0.441 -2.116 0.000) 2.161 22.208 ( 0.441 -2.116 0.000) 2.161 22.909 ( -0.290 -2.623 0.000) 2.639 22.909 ( 0.290 -2.623 0.000) 2.639 23.229 ( -0.154 -5.854 0.000) 5.856 23.229 ( 0.154 -5.854 0.000) 5.856 23.986 ( -0.200 -0.624 0.000) 0.656 23.986 ( 0.200 -0.624 0.000) 0.656 24.052 ( -0.490 -0.502 0.000) 0.701 24.052 ( 0.490 -0.502 0.000) 0.701 24.519 ( -0.728 7.637 0.000) 7.672 24.519 ( 0.728 7.637 0.000) 7.672 24.688 ( -0.718 2.579 0.000) 2.677 24.688 ( 0.718 2.579 0.000) 2.677 24.926 ( -2.566 9.791 0.000) 10.122 24.926 ( 2.566 9.791 0.000) 10.122 25.041 ( -0.546 4.038 0.000) 4.075 25.041 ( 0.546 4.038 0.000) 4.075 25.950 ( -1.500 2.432 0.000) 2.857 25.950 ( 1.500 2.432 0.000) 2.857 26.020 ( -0.373 0.022 0.000) 0.374 26.020 ( 0.373 0.022 0.000) 0.374 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 -8.623 0.000) 8.623 1.170 ( 0.000 -19.133 0.000) 19.133 1.429 ( 0.000 16.950 0.000) 16.950 1.521 ( 0.000 4.038 0.000) 4.038 1.587 ( 0.000 1.404 0.000) 1.404 1.590 ( 0.000 -1.704 0.000) 1.704 1.814 ( 0.000 6.033 0.000) 6.033 1.849 ( 0.000 -11.509 0.000) 11.509 1.912 ( 0.000 4.094 0.000) 4.094 1.966 ( 0.000 -2.537 0.000) 2.537 2.168 ( 0.000 -0.036 0.000) 0.036 2.197 ( 0.000 2.155 0.000) 2.155 2.273 ( 0.000 -5.888 0.000) 5.888 2.380 ( 0.000 -0.594 0.000) 0.594 2.525 ( 0.000 9.447 0.000) 9.447 2.541 ( 0.000 -3.333 0.000) 3.333 2.603 ( 0.000 7.214 0.000) 7.214 2.619 ( 0.000 -2.223 0.000) 2.223 2.751 ( 0.000 3.616 0.000) 3.616 2.783 ( 0.000 -2.471 0.000) 2.471 2.875 ( 0.000 -2.686 0.000) 2.686 2.917 ( 0.000 -1.798 0.000) 1.798 3.004 ( 0.000 4.652 0.000) 4.652 3.068 ( 0.000 -0.774 0.000) 0.774 3.125 ( 0.000 -0.255 0.000) 0.255 3.207 ( 0.000 -0.821 0.000) 0.821 3.247 ( 0.000 -6.440 0.000) 6.440 3.319 ( 0.000 -3.080 0.000) 3.080 3.451 ( 0.000 3.386 0.000) 3.386 3.648 ( 0.000 1.812 0.000) 1.812 3.709 ( 0.000 10.915 0.000) 10.915 3.712 ( 0.000 -3.505 0.000) 3.505 3.755 ( 0.000 5.110 0.000) 5.110 3.890 ( 0.000 -3.699 0.000) 3.699 3.943 ( 0.000 2.193 0.000) 2.193 3.957 ( 0.000 9.079 0.000) 9.079 4.209 ( 0.000 0.342 0.000) 0.342 4.289 ( 0.000 2.400 0.000) 2.400 4.301 ( 0.000 0.283 0.000) 0.283 4.456 ( 0.000 -3.276 0.000) 3.276 4.510 ( 0.000 6.785 0.000) 6.785 4.529 ( 0.000 -0.255 0.000) 0.255 4.597 ( 0.000 -1.804 0.000) 1.804 4.675 ( 0.000 3.597 0.000) 3.597 4.697 ( 0.000 4.735 0.000) 4.735 4.766 ( 0.000 0.878 0.000) 0.878 4.819 ( 0.000 -2.879 0.000) 2.879 4.832 ( 0.000 7.961 0.000) 7.961 4.939 ( 0.000 -3.854 0.000) 3.854 4.978 ( 0.000 2.695 0.000) 2.695 5.045 ( 0.000 -0.105 0.000) 0.105 5.098 ( 0.000 -2.186 0.000) 2.186 5.209 ( 0.000 -5.419 0.000) 5.419 5.218 ( 0.000 -1.639 0.000) 1.639 5.276 ( 0.000 -2.691 0.000) 2.691 5.283 ( 0.000 -2.496 0.000) 2.496 5.365 ( 0.000 -4.525 0.000) 4.525 5.422 ( 0.000 -6.193 0.000) 6.193 5.554 ( 0.000 8.441 0.000) 8.441 5.577 ( 0.000 2.098 0.000) 2.098 5.716 ( 0.000 -1.468 0.000) 1.468 5.821 ( 0.000 6.133 0.000) 6.133 5.858 ( 0.000 3.849 0.000) 3.849 5.933 ( 0.000 1.935 0.000) 1.935 6.010 ( 0.000 -3.992 0.000) 3.992 6.028 ( 0.000 -0.203 0.000) 0.203 6.108 ( 0.000 -0.191 0.000) 0.191 6.109 ( 0.000 -1.130 0.000) 1.130 6.161 ( 0.000 2.038 0.000) 2.038 6.217 ( 0.000 -0.449 0.000) 0.449 6.286 ( 0.000 2.466 0.000) 2.466 6.423 ( 0.000 -0.857 0.000) 0.857 6.438 ( 0.000 0.422 0.000) 0.422 6.551 ( 0.000 1.227 0.000) 1.227 6.572 ( 0.000 9.110 0.000) 9.110 6.612 ( 0.000 -2.531 0.000) 2.531 6.783 ( 0.000 2.768 0.000) 2.768 6.805 ( 0.000 5.480 0.000) 5.480 6.949 ( 0.000 -5.478 0.000) 5.478 7.070 ( 0.000 -6.894 0.000) 6.894 7.327 ( 0.000 0.806 0.000) 0.806 7.433 ( 0.000 4.106 0.000) 4.106 7.541 ( 0.000 4.296 0.000) 4.296 7.577 ( 0.000 3.429 0.000) 3.429 7.834 ( 0.000 2.674 0.000) 2.674 7.917 ( 0.000 4.382 0.000) 4.382 7.999 ( 0.000 1.612 0.000) 1.612 8.032 ( 0.000 5.705 0.000) 5.705 8.067 ( 0.000 -4.283 0.000) 4.283 8.220 ( 0.000 1.605 0.000) 1.605 8.243 ( 0.000 -4.807 0.000) 4.807 8.275 ( 0.000 2.056 0.000) 2.056 8.588 ( 0.000 3.349 0.000) 3.349 8.630 ( 0.000 7.391 0.000) 7.391 8.741 ( 0.000 -4.129 0.000) 4.129 8.931 ( 0.000 1.637 0.000) 1.637 9.002 ( 0.000 -0.842 0.000) 0.842 9.047 ( 0.000 3.693 0.000) 3.693 9.144 ( 0.000 0.024 0.000) 0.024 9.205 ( 0.000 -5.243 0.000) 5.243 9.225 ( 0.000 7.205 0.000) 7.205 9.382 ( 0.000 2.326 0.000) 2.326 9.604 ( 0.000 -4.857 0.000) 4.857 9.653 ( 0.000 -9.951 0.000) 9.951 9.667 ( 0.000 2.404 0.000) 2.404 9.801 ( 0.000 -4.703 0.000) 4.703 9.858 ( 0.000 6.353 0.000) 6.353 9.954 ( 0.000 0.095 0.000) 0.095 10.131 ( 0.000 -9.442 0.000) 9.442 10.205 ( 0.000 -12.165 0.000) 12.165 10.797 ( 0.000 -0.171 0.000) 0.171 10.899 ( 0.000 -6.216 0.000) 6.216 12.114 ( 0.000 2.502 0.000) 2.502 12.239 ( 0.000 -3.522 0.000) 3.522 12.269 ( 0.000 2.623 0.000) 2.623 12.345 ( 0.000 -2.069 0.000) 2.069 12.988 ( 0.000 -5.102 0.000) 5.102 13.003 ( 0.000 -2.946 0.000) 2.946 13.048 ( 0.000 -4.121 0.000) 4.121 13.114 ( 0.000 -6.898 0.000) 6.898 13.351 ( 0.000 2.968 0.000) 2.968 13.418 ( 0.000 0.495 0.000) 0.495 13.461 ( 0.000 3.778 0.000) 3.778 13.586 ( 0.000 -1.562 0.000) 1.562 13.719 ( 0.000 2.765 0.000) 2.765 13.755 ( 0.000 0.181 0.000) 0.181 13.989 ( 0.000 -0.150 0.000) 0.150 14.052 ( 0.000 -2.949 0.000) 2.949 14.143 ( 0.000 2.540 0.000) 2.540 14.222 ( 0.000 -0.682 0.000) 0.682 14.232 ( 0.000 -0.890 0.000) 0.890 14.295 ( 0.000 -4.245 0.000) 4.245 14.383 ( 0.000 -2.875 0.000) 2.875 14.387 ( 0.000 2.719 0.000) 2.719 14.436 ( 0.000 -5.025 0.000) 5.025 14.479 ( 0.000 -3.237 0.000) 3.237 14.917 ( 0.000 0.808 0.000) 0.808 14.954 ( 0.000 -0.563 0.000) 0.563 15.001 ( 0.000 1.707 0.000) 1.707 15.037 ( 0.000 -0.396 0.000) 0.396 15.063 ( 0.000 -1.015 0.000) 1.015 15.110 ( 0.000 -2.531 0.000) 2.531 15.303 ( 0.000 3.044 0.000) 3.044 15.337 ( 0.000 -1.531 0.000) 1.531 15.690 ( 0.000 2.715 0.000) 2.715 15.718 ( 0.000 1.326 0.000) 1.326 16.599 ( 0.000 8.617 0.000) 8.617 16.674 ( 0.000 6.488 0.000) 6.488 16.718 ( 0.000 2.773 0.000) 2.773 16.758 ( 0.000 2.840 0.000) 2.840 16.811 ( 0.000 -1.393 0.000) 1.393 16.940 ( 0.000 -4.595 0.000) 4.595 18.809 ( 0.000 5.455 0.000) 5.455 18.943 ( 0.000 6.321 0.000) 6.321 18.994 ( 0.000 -4.113 0.000) 4.113 19.194 ( 0.000 -5.897 0.000) 5.897 20.575 ( 0.000 -0.895 0.000) 0.895 20.641 ( 0.000 -5.699 0.000) 5.699 20.731 ( 0.000 -0.050 0.000) 0.050 20.820 ( 0.000 -2.556 0.000) 2.556 20.985 ( 0.000 1.137 0.000) 1.137 21.042 ( 0.000 -0.493 0.000) 0.493 21.191 ( 0.000 -0.754 0.000) 0.754 21.258 ( 0.000 -4.949 0.000) 4.949 21.517 ( 0.000 -0.446 0.000) 0.446 21.527 ( 0.000 -1.005 0.000) 1.005 21.625 ( 0.000 -3.104 0.000) 3.104 21.677 ( 0.000 -7.030 0.000) 7.030 21.964 ( 0.000 0.454 0.000) 0.454 22.011 ( 0.000 -1.906 0.000) 1.906 22.184 ( 0.000 -0.352 0.000) 0.352 22.246 ( 0.000 -2.951 0.000) 2.951 22.923 ( 0.000 4.674 0.000) 4.674 22.977 ( 0.000 2.499 0.000) 2.499 23.103 ( 0.000 -4.808 0.000) 4.808 23.143 ( 0.000 -5.212 0.000) 5.212 23.862 ( 0.000 -1.541 0.000) 1.541 23.864 ( 0.000 -2.042 0.000) 2.042 24.099 ( 0.000 -0.412 0.000) 0.412 24.106 ( 0.000 -0.260 0.000) 0.260 24.494 ( 0.000 2.793 0.000) 2.793 24.569 ( 0.000 -0.677 0.000) 0.677 24.735 ( 0.000 1.476 0.000) 1.476 24.756 ( 0.000 -0.332 0.000) 0.332 24.991 ( 0.000 8.269 0.000) 8.269 25.016 ( 0.000 5.580 0.000) 5.580 25.234 ( 0.000 3.861 0.000) 3.861 25.270 ( 0.000 1.847 0.000) 1.847 25.910 ( 0.000 2.055 0.000) 2.055 25.967 ( 0.000 -0.391 0.000) 0.391 26.075 ( 0.000 1.664 0.000) 1.664 26.105 ( 0.000 0.331 0.000) 0.331 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 8.262 -7.535 0.000) 11.182 1.247 ( 6.643 -16.559 0.000) 17.842 1.506 ( 1.144 3.296 0.000) 3.489 1.537 ( 1.568 5.468 0.000) 5.688 1.583 ( -0.820 2.055 0.000) 2.213 1.591 ( 1.572 -2.473 0.000) 2.930 1.771 ( -7.939 3.107 0.000) 8.526 1.873 ( 0.699 -0.486 0.000) 0.851 1.908 ( 3.885 -0.523 0.000) 3.920 1.992 ( 1.702 -3.509 0.000) 3.900 2.137 ( -1.902 2.091 0.000) 2.827 2.257 ( 3.589 -2.889 0.000) 4.607 2.315 ( 7.347 -1.717 0.000) 7.545 2.418 ( 3.053 1.777 0.000) 3.532 2.483 ( 0.310 3.773 0.000) 3.785 2.544 ( -1.330 0.957 0.000) 1.638 2.594 ( -1.040 0.993 0.000) 1.438 2.641 ( 1.785 2.625 0.000) 3.174 2.710 ( -3.232 -0.525 0.000) 3.274 2.810 ( 0.703 2.539 0.000) 2.634 2.848 ( 0.337 -1.516 0.000) 1.553 2.967 ( 2.371 0.436 0.000) 2.411 3.015 ( 1.219 3.601 0.000) 3.801 3.083 ( 0.451 -0.072 0.000) 0.456 3.142 ( 2.276 -0.865 0.000) 2.435 3.191 ( -1.238 0.181 0.000) 1.251 3.260 ( 2.479 -5.513 0.000) 6.045 3.354 ( 0.792 -4.186 0.000) 4.261 3.443 ( -1.009 3.047 0.000) 3.209 3.587 ( -7.060 0.371 0.000) 7.070 3.677 ( -2.168 6.201 0.000) 6.569 3.699 ( -3.703 5.104 0.000) 6.306 3.766 ( 2.840 3.821 0.000) 4.761 3.873 ( -1.883 -0.829 0.000) 2.057 3.970 ( 2.843 8.923 0.000) 9.365 3.999 ( 5.145 -0.562 0.000) 5.176 4.178 ( -2.970 2.414 0.000) 3.827 4.240 ( -4.635 2.386 0.000) 5.214 4.294 ( 1.308 -3.548 0.000) 3.781 4.428 ( -3.197 -2.086 0.000) 3.818 4.458 ( -3.573 5.476 0.000) 6.539 4.523 ( -0.947 -0.295 0.000) 0.992 4.570 ( -2.090 -2.399 0.000) 3.182 4.644 ( -3.911 3.443 0.000) 5.210 4.686 ( -2.652 2.520 0.000) 3.658 4.727 ( -2.264 2.411 0.000) 3.308 4.836 ( 1.327 4.467 0.000) 4.660 4.854 ( 1.541 2.715 0.000) 3.122 4.883 ( -3.280 0.226 0.000) 3.288 4.952 ( -0.465 -0.687 0.000) 0.830 5.026 ( -5.948 -1.575 0.000) 6.153 5.074 ( 0.102 -2.160 0.000) 2.162 5.174 ( 1.437 -4.832 0.000) 5.041 5.212 ( -0.481 -6.769 0.000) 6.786 5.271 ( -0.136 -1.362 0.000) 1.368 5.342 ( -0.839 -4.286 0.000) 4.367 5.419 ( 0.899 -5.321 0.000) 5.397 5.446 ( 7.514 -0.976 0.000) 7.577 5.534 ( 0.618 5.220 0.000) 5.257 5.612 ( 0.794 3.660 0.000) 3.746 5.691 ( -2.425 1.886 0.000) 3.071 5.783 ( -1.450 3.031 0.000) 3.360 5.818 ( -3.151 3.061 0.000) 4.393 5.899 ( -2.545 -0.777 0.000) 2.661 6.044 ( 3.528 -1.193 0.000) 3.725 6.081 ( 1.513 2.290 0.000) 2.744 6.135 ( 4.158 2.333 0.000) 4.768 6.179 ( 3.388 2.848 0.000) 4.426 6.201 ( 1.233 3.335 0.000) 3.555 6.244 ( 5.995 -4.579 0.000) 7.543 6.295 ( -0.274 1.481 0.000) 1.506 6.361 ( -3.729 0.166 0.000) 3.733 6.411 ( -5.113 -0.525 0.000) 5.140 6.454 ( -2.683 -2.995 0.000) 4.021 6.646 ( 6.492 2.952 0.000) 7.131 6.721 ( 4.767 5.502 0.000) 7.280 6.766 ( -1.116 3.470 0.000) 3.645 6.818 ( 0.127 -0.151 0.000) 0.197 6.948 ( 2.374 -1.017 0.000) 2.583 7.099 ( -0.414 -2.993 0.000) 3.022 7.338 ( 1.886 -3.506 0.000) 3.981 7.436 ( -0.229 2.530 0.000) 2.540 7.526 ( -0.948 6.798 0.000) 6.864 7.586 ( 1.225 5.340 0.000) 5.479 7.736 ( -6.975 3.109 0.000) 7.637 7.824 ( -6.336 2.311 0.000) 6.744 7.932 ( -5.486 -0.221 0.000) 5.491 8.008 ( -6.242 -6.112 0.000) 8.736 8.087 ( 3.500 5.555 0.000) 6.566 8.171 ( -2.124 5.616 0.000) 6.005 8.294 ( 2.337 -3.142 0.000) 3.916 8.308 ( 2.905 -0.301 0.000) 2.920 8.580 ( 1.596 4.775 0.000) 5.034 8.684 ( -2.377 0.651 0.000) 2.464 8.762 ( 7.528 1.631 0.000) 7.703 8.979 ( 0.641 4.234 0.000) 4.282 9.028 ( 2.514 -3.043 0.000) 3.947 9.048 ( -4.812 0.344 0.000) 4.824 9.114 ( 5.740 1.299 0.000) 5.886 9.203 ( -1.190 4.929 0.000) 5.070 9.263 ( 1.980 -0.719 0.000) 2.106 9.365 ( -2.312 0.269 0.000) 2.328 9.589 ( -0.446 -1.243 0.000) 1.320 9.651 ( -1.291 -1.603 0.000) 2.058 9.668 ( 1.411 -5.027 0.000) 5.221 9.745 ( -2.286 -1.825 0.000) 2.925 9.899 ( 1.076 -2.667 0.000) 2.876 9.998 ( -1.087 -4.051 0.000) 4.194 10.113 ( 5.954 -3.613 0.000) 6.965 10.291 ( 4.017 -10.628 0.000) 11.362 10.763 ( -2.402 -0.519 0.000) 2.457 10.856 ( -4.203 -5.979 0.000) 7.308 12.119 ( 0.620 1.637 0.000) 1.751 12.184 ( -2.866 -0.837 0.000) 2.986 12.338 ( 3.991 0.394 0.000) 4.010 12.372 ( 2.065 -1.184 0.000) 2.380 12.982 ( -0.083 -4.024 0.000) 4.025 13.001 ( -0.672 -5.285 0.000) 5.327 13.070 ( 2.412 -3.291 0.000) 4.080 13.124 ( 0.446 -6.400 0.000) 6.415 13.359 ( 0.899 3.235 0.000) 3.358 13.416 ( -1.073 2.633 0.000) 2.843 13.470 ( 1.981 0.784 0.000) 2.131 13.572 ( -1.568 -2.180 0.000) 2.686 13.732 ( 2.532 3.670 0.000) 4.459 13.807 ( 4.339 -0.159 0.000) 4.342 13.970 ( -3.010 0.499 0.000) 3.051 14.030 ( -2.854 -1.009 0.000) 3.027 14.152 ( 1.095 1.370 0.000) 1.754 14.223 ( 0.123 -0.424 0.000) 0.441 14.248 ( 1.298 -1.302 0.000) 1.839 14.278 ( -3.264 -2.908 0.000) 4.372 14.322 ( -1.594 -0.979 0.000) 1.870 14.350 ( -2.739 -1.923 0.000) 3.347 14.410 ( -2.630 -4.220 0.000) 4.972 14.448 ( -3.632 -3.810 0.000) 5.264 14.900 ( -0.851 1.029 0.000) 1.335 14.935 ( -1.084 -0.633 0.000) 1.256 14.979 ( 0.071 1.636 0.000) 1.638 15.055 ( -1.790 -1.837 0.000) 2.564 15.107 ( 4.642 -0.518 0.000) 4.671 15.155 ( 4.053 -1.280 0.000) 4.250 15.268 ( -3.115 0.626 0.000) 3.177 15.289 ( -3.448 -0.388 0.000) 3.470 15.792 ( 8.146 2.794 0.000) 8.612 15.816 ( 7.580 1.620 0.000) 7.751 16.551 ( -3.757 7.420 0.000) 8.317 16.601 ( -5.832 4.906 0.000) 7.622 16.734 ( 1.226 4.789 0.000) 4.944 16.761 ( -0.140 3.782 0.000) 3.784 16.847 ( 2.728 -2.211 0.000) 3.511 16.929 ( -1.144 -4.310 0.000) 4.459 18.826 ( 1.709 5.526 0.000) 5.784 18.915 ( -2.239 5.445 0.000) 5.888 19.032 ( 3.136 -3.496 0.000) 4.697 19.167 ( -2.687 -5.418 0.000) 6.047 20.580 ( 0.686 -0.388 0.000) 0.788 20.637 ( -0.993 -3.013 0.000) 3.172 20.736 ( 1.495 -2.032 0.000) 2.522 20.826 ( -0.277 -4.378 0.000) 4.387 20.976 ( -0.157 1.375 0.000) 1.383 21.033 ( -1.185 -0.965 0.000) 1.528 21.204 ( 1.249 -1.088 0.000) 1.657 21.251 ( -0.707 -4.005 0.000) 4.067 21.508 ( 0.224 -0.900 0.000) 0.927 21.548 ( 0.283 -2.261 0.000) 2.279 21.616 ( -0.113 -2.948 0.000) 2.951 21.664 ( -1.235 -6.257 0.000) 6.378 21.990 ( 2.435 0.576 0.000) 2.502 22.024 ( 1.239 -1.032 0.000) 1.613 22.178 ( -0.664 -0.685 0.000) 0.954 22.217 ( -2.684 -2.064 0.000) 3.386 22.913 ( -0.674 3.307 0.000) 3.375 22.946 ( -2.380 1.693 0.000) 2.921 23.116 ( 0.991 -4.142 0.000) 4.259 23.141 ( -0.247 -4.703 0.000) 4.709 23.902 ( 3.610 -1.613 0.000) 3.954 23.904 ( 3.692 -1.678 0.000) 4.055 24.074 ( -2.443 -0.644 0.000) 2.527 24.081 ( -2.495 -0.592 0.000) 2.564 24.529 ( 3.375 2.523 0.000) 4.214 24.592 ( 2.114 -0.309 0.000) 2.137 24.709 ( -2.356 1.119 0.000) 2.608 24.737 ( -2.029 -0.874 0.000) 2.209 25.020 ( 3.266 8.414 0.000) 9.026 25.049 ( 3.104 5.282 0.000) 6.127 25.201 ( -3.175 4.083 0.000) 5.172 25.222 ( -4.593 3.384 0.000) 5.705 25.935 ( 2.432 1.991 0.000) 3.143 25.982 ( 1.500 -0.089 0.000) 1.502 26.055 ( -1.991 1.450 0.000) 2.463 26.074 ( -2.771 0.677 0.000) 2.852 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.442 -9.274 0.000) 9.385 1.320 ( 1.442 -9.274 0.000) 9.385 1.506 ( -1.569 -2.361 0.000) 2.835 1.506 ( 1.569 -2.361 0.000) 2.835 1.548 ( -0.153 -2.368 0.000) 2.373 1.548 ( 0.153 -2.368 0.000) 2.373 1.795 ( -6.542 5.405 0.000) 8.486 1.795 ( 6.542 5.405 0.000) 8.486 1.962 ( -0.686 -3.244 0.000) 3.316 1.962 ( 0.686 -3.244 0.000) 3.316 2.245 ( -6.796 -0.553 0.000) 6.818 2.245 ( 6.796 -0.553 0.000) 6.818 2.412 ( -0.389 4.335 0.000) 4.353 2.412 ( 0.389 4.335 0.000) 4.353 2.534 ( -0.244 2.644 0.000) 2.656 2.534 ( 0.244 2.644 0.000) 2.656 2.652 ( -4.168 0.470 0.000) 4.194 2.652 ( 4.168 0.470 0.000) 4.194 2.701 ( -4.567 -2.995 0.000) 5.461 2.701 ( 4.567 -2.995 0.000) 5.461 2.943 ( -1.002 2.116 0.000) 2.341 2.943 ( 1.002 2.116 0.000) 2.341 3.069 ( -0.718 2.980 0.000) 3.065 3.069 ( 0.718 2.980 0.000) 3.065 3.169 ( -1.645 -1.548 0.000) 2.259 3.169 ( 1.645 -1.548 0.000) 2.259 3.327 ( -1.811 -3.125 0.000) 3.612 3.327 ( 1.811 -3.125 0.000) 3.612 3.442 ( -4.137 0.671 0.000) 4.191 3.442 ( 4.137 0.671 0.000) 4.191 3.648 ( -0.014 7.682 0.000) 7.682 3.648 ( 0.014 7.682 0.000) 7.682 3.828 ( -0.499 1.611 0.000) 1.686 3.828 ( 0.499 1.611 0.000) 1.686 4.059 ( -0.304 2.986 0.000) 3.002 4.059 ( 0.304 2.986 0.000) 3.002 4.145 ( -2.306 3.484 0.000) 4.178 4.145 ( 2.306 3.484 0.000) 4.178 4.348 ( -4.578 -5.465 0.000) 7.130 4.348 ( 4.578 -5.465 0.000) 7.130 4.465 ( -2.632 3.726 0.000) 4.562 4.465 ( 2.632 3.726 0.000) 4.562 4.562 ( -0.260 -1.010 0.000) 1.043 4.562 ( 0.260 -1.010 0.000) 1.043 4.678 ( -0.898 2.012 0.000) 2.203 4.678 ( 0.898 2.012 0.000) 2.203 4.861 ( -0.041 3.871 0.000) 3.871 4.861 ( 0.041 3.871 0.000) 3.871 4.877 ( -1.435 1.474 0.000) 2.057 4.877 ( 1.435 1.474 0.000) 2.057 5.048 ( -2.753 -2.978 0.000) 4.056 5.048 ( 2.753 -2.978 0.000) 4.056 5.204 ( -0.606 -1.402 0.000) 1.527 5.204 ( 0.606 -1.402 0.000) 1.527 5.281 ( -3.517 -10.168 0.000) 10.759 5.281 ( 3.517 -10.168 0.000) 10.759 5.481 ( -3.172 1.242 0.000) 3.407 5.481 ( 3.172 1.242 0.000) 3.407 5.600 ( -0.710 1.629 0.000) 1.777 5.600 ( 0.710 1.629 0.000) 1.777 5.689 ( -2.500 4.483 0.000) 5.133 5.689 ( 2.500 4.483 0.000) 5.133 5.847 ( -1.462 -0.357 0.000) 1.505 5.847 ( 1.462 -0.357 0.000) 1.505 6.107 ( -0.049 5.226 0.000) 5.226 6.107 ( 0.049 5.226 0.000) 5.226 6.163 ( -0.380 0.588 0.000) 0.700 6.163 ( 0.380 0.588 0.000) 0.700 6.265 ( -0.514 2.661 0.000) 2.710 6.265 ( 0.514 2.661 0.000) 2.710 6.329 ( -0.089 -1.251 0.000) 1.254 6.329 ( 0.089 -1.251 0.000) 1.254 6.386 ( -2.265 -5.403 0.000) 5.859 6.386 ( 2.265 -5.403 0.000) 5.859 6.747 ( -0.394 4.457 0.000) 4.475 6.747 ( 0.394 4.457 0.000) 4.475 6.786 ( -1.432 1.469 0.000) 2.051 6.786 ( 1.432 1.469 0.000) 2.051 7.031 ( -4.205 0.171 0.000) 4.209 7.031 ( 4.205 0.171 0.000) 4.209 7.400 ( -3.008 -2.756 0.000) 4.079 7.400 ( 3.008 -2.756 0.000) 4.079 7.548 ( -3.165 10.246 0.000) 10.724 7.548 ( 3.165 10.246 0.000) 10.724 7.723 ( -0.916 -0.691 0.000) 1.147 7.723 ( 0.916 -0.691 0.000) 1.147 7.892 ( -1.003 -2.703 0.000) 2.884 7.892 ( 1.003 -2.703 0.000) 2.884 8.138 ( -0.163 5.834 0.000) 5.837 8.138 ( 0.163 5.834 0.000) 5.837 8.330 ( -0.034 -2.377 0.000) 2.377 8.330 ( 0.034 -2.377 0.000) 2.377 8.630 ( -2.748 2.350 0.000) 3.615 8.630 ( 2.748 2.350 0.000) 3.615 8.906 ( -2.240 3.297 0.000) 3.986 8.906 ( 2.240 3.297 0.000) 3.986 9.028 ( -0.148 -0.225 0.000) 0.270 9.028 ( 0.148 -0.225 0.000) 0.270 9.206 ( -0.030 2.344 0.000) 2.345 9.206 ( 0.030 2.344 0.000) 2.345 9.292 ( -2.144 -0.576 0.000) 2.220 9.292 ( 2.144 -0.576 0.000) 2.220 9.612 ( -0.459 -0.350 0.000) 0.577 9.612 ( 0.459 -0.350 0.000) 0.577 9.708 ( -0.405 -2.953 0.000) 2.980 9.708 ( 0.405 -2.953 0.000) 2.980 9.936 ( -0.879 -5.949 0.000) 6.014 9.936 ( 0.879 -5.949 0.000) 6.014 10.270 ( -6.235 -4.864 0.000) 7.908 10.270 ( 6.235 -4.864 0.000) 7.908 10.769 ( -3.454 -3.973 0.000) 5.264 10.769 ( 3.454 -3.973 0.000) 5.264 12.140 ( -0.152 0.265 0.000) 0.306 12.140 ( 0.152 0.265 0.000) 0.306 12.389 ( -0.041 -0.028 0.000) 0.050 12.389 ( 0.041 -0.028 0.000) 0.050 12.987 ( -0.115 -4.629 0.000) 4.630 12.987 ( 0.115 -4.629 0.000) 4.630 13.115 ( -0.880 -4.866 0.000) 4.945 13.115 ( 0.880 -4.866 0.000) 4.945 13.385 ( -0.169 3.640 0.000) 3.644 13.385 ( 0.169 3.640 0.000) 3.644 13.526 ( -0.649 -1.733 0.000) 1.850 13.526 ( 0.649 -1.733 0.000) 1.850 13.824 ( -4.463 2.227 0.000) 4.988 13.824 ( 4.463 2.227 0.000) 4.988 13.943 ( -2.569 0.622 0.000) 2.643 13.943 ( 2.569 0.622 0.000) 2.643 14.188 ( -2.174 0.725 0.000) 2.292 14.188 ( 2.174 0.725 0.000) 2.292 14.254 ( -0.164 -2.207 0.000) 2.213 14.254 ( 0.164 -2.207 0.000) 2.213 14.342 ( -1.592 -2.764 0.000) 3.190 14.342 ( 1.592 -2.764 0.000) 3.190 14.369 ( -2.117 -4.073 0.000) 4.591 14.369 ( 2.117 -4.073 0.000) 4.591 14.908 ( -0.223 0.697 0.000) 0.731 14.908 ( 0.223 0.697 0.000) 0.731 15.010 ( -2.357 -0.567 0.000) 2.424 15.010 ( 2.357 -0.567 0.000) 2.424 15.194 ( -1.384 -0.425 0.000) 1.448 15.194 ( 1.384 -0.425 0.000) 1.448 15.228 ( -0.466 -0.818 0.000) 0.941 15.228 ( 0.466 -0.818 0.000) 0.941 15.900 ( -0.039 2.406 0.000) 2.406 15.900 ( 0.039 2.406 0.000) 2.406 16.516 ( -0.191 5.794 0.000) 5.797 16.516 ( 0.191 5.794 0.000) 5.797 16.753 ( -0.041 4.616 0.000) 4.616 16.753 ( 0.041 4.616 0.000) 4.616 16.896 ( -0.735 -3.435 0.000) 3.513 16.896 ( 0.735 -3.435 0.000) 3.513 18.868 ( -1.771 5.579 0.000) 5.854 18.868 ( 1.771 5.579 0.000) 5.854 19.101 ( -3.799 -4.405 0.000) 5.817 19.101 ( 3.799 -4.405 0.000) 5.817 20.605 ( -1.312 -0.302 0.000) 1.346 20.605 ( 1.312 -0.302 0.000) 1.346 20.789 ( -0.460 -4.552 0.000) 4.575 20.789 ( 0.460 -4.552 0.000) 4.575 20.998 ( -0.452 -0.203 0.000) 0.496 20.998 ( 0.452 -0.203 0.000) 0.496 21.231 ( -0.047 -2.309 0.000) 2.309 21.231 ( 0.047 -2.309 0.000) 2.309 21.527 ( -0.119 -2.170 0.000) 2.174 21.527 ( 0.119 -2.170 0.000) 2.174 21.636 ( -1.536 -4.434 0.000) 4.692 21.636 ( 1.536 -4.434 0.000) 4.692 22.033 ( -0.243 0.551 0.000) 0.602 22.033 ( 0.243 0.551 0.000) 0.602 22.173 ( -0.707 -1.380 0.000) 1.551 22.173 ( 0.707 -1.380 0.000) 1.551 22.912 ( -0.050 1.703 0.000) 1.704 22.912 ( 0.050 1.703 0.000) 1.704 23.132 ( -0.045 -4.094 0.000) 4.095 23.132 ( 0.045 -4.094 0.000) 4.095 23.961 ( -0.025 -1.236 0.000) 1.236 23.961 ( 0.025 -1.236 0.000) 1.236 24.033 ( -0.051 -1.149 0.000) 1.150 24.033 ( 0.051 -1.149 0.000) 1.150 24.600 ( -1.500 1.892 0.000) 2.415 24.600 ( 1.500 1.892 0.000) 2.415 24.690 ( -1.794 -0.931 0.000) 2.021 24.690 ( 1.794 -0.931 0.000) 2.021 25.105 ( -0.868 6.849 0.000) 6.904 25.105 ( 0.868 6.849 0.000) 6.904 25.134 ( -0.125 4.397 0.000) 4.399 25.134 ( 0.125 4.397 0.000) 4.399 25.994 ( -1.589 1.946 0.000) 2.512 25.994 ( 1.589 1.946 0.000) 2.512 26.024 ( -0.700 0.218 0.000) 0.733 26.024 ( 0.700 0.218 0.000) 0.733 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 -1.290 0.000) 1.290 0.944 ( 0.000 1.290 0.000) 1.290 1.524 ( 0.000 -0.671 0.000) 0.671 1.524 ( 0.000 0.671 0.000) 0.671 1.632 ( 0.000 -4.690 0.000) 4.690 1.632 ( 0.000 4.690 0.000) 4.690 1.840 ( 0.000 -7.078 0.000) 7.078 1.840 ( 0.000 7.078 0.000) 7.078 1.945 ( 0.000 -2.706 0.000) 2.706 1.945 ( 0.000 2.706 0.000) 2.706 2.147 ( 0.000 -5.884 0.000) 5.884 2.147 ( 0.000 5.884 0.000) 5.884 2.291 ( 0.000 -5.053 0.000) 5.053 2.291 ( 0.000 5.053 0.000) 5.053 2.592 ( 0.000 -2.350 0.000) 2.350 2.592 ( 0.000 2.350 0.000) 2.350 2.631 ( 0.000 -3.637 0.000) 3.637 2.631 ( 0.000 3.637 0.000) 3.637 2.807 ( 0.000 -0.381 0.000) 0.381 2.807 ( 0.000 0.381 0.000) 0.381 2.831 ( 0.000 -3.298 0.000) 3.298 2.831 ( 0.000 3.298 0.000) 3.298 3.054 ( 0.000 -0.677 0.000) 0.677 3.054 ( 0.000 0.677 0.000) 0.677 3.134 ( 0.000 -3.214 0.000) 3.214 3.134 ( 0.000 3.214 0.000) 3.214 3.241 ( 0.000 -4.473 0.000) 4.473 3.241 ( 0.000 4.473 0.000) 4.473 3.549 ( 0.000 -7.172 0.000) 7.172 3.549 ( 0.000 7.172 0.000) 7.172 3.774 ( 0.000 -3.118 0.000) 3.118 3.774 ( 0.000 3.118 0.000) 3.118 3.854 ( 0.000 -2.564 0.000) 2.564 3.854 ( 0.000 2.564 0.000) 2.564 4.012 ( 0.000 -3.480 0.000) 3.480 4.012 ( 0.000 3.480 0.000) 3.480 4.296 ( 0.000 -6.530 0.000) 6.530 4.296 ( 0.000 6.530 0.000) 6.530 4.337 ( 0.000 -2.963 0.000) 2.963 4.337 ( 0.000 2.963 0.000) 2.963 4.563 ( 0.000 -2.261 0.000) 2.261 4.563 ( 0.000 2.261 0.000) 2.261 4.685 ( 0.000 -7.377 0.000) 7.377 4.685 ( 0.000 7.377 0.000) 7.377 4.738 ( 0.000 -0.024 0.000) 0.024 4.738 ( 0.000 0.024 0.000) 0.024 4.818 ( 0.000 -4.478 0.000) 4.478 4.818 ( 0.000 4.478 0.000) 4.478 5.009 ( 0.000 -2.533 0.000) 2.533 5.009 ( 0.000 2.533 0.000) 2.533 5.021 ( 0.000 -8.083 0.000) 8.083 5.021 ( 0.000 8.083 0.000) 8.083 5.178 ( 0.000 -1.362 0.000) 1.362 5.178 ( 0.000 1.362 0.000) 1.362 5.259 ( 0.000 -0.258 0.000) 0.258 5.259 ( 0.000 0.258 0.000) 0.258 5.315 ( 0.000 -0.772 0.000) 0.772 5.315 ( 0.000 0.772 0.000) 0.772 5.621 ( 0.000 -1.857 0.000) 1.857 5.621 ( 0.000 1.857 0.000) 1.857 5.794 ( 0.000 -8.054 0.000) 8.054 5.794 ( 0.000 8.054 0.000) 8.054 5.912 ( 0.000 -2.501 0.000) 2.501 5.912 ( 0.000 2.501 0.000) 2.501 5.989 ( 0.000 -1.345 0.000) 1.345 5.989 ( 0.000 1.345 0.000) 1.345 6.141 ( 0.000 -1.065 0.000) 1.065 6.141 ( 0.000 1.065 0.000) 1.065 6.196 ( 0.000 -1.777 0.000) 1.777 6.196 ( 0.000 1.777 0.000) 1.777 6.340 ( 0.000 -5.035 0.000) 5.035 6.340 ( 0.000 5.035 0.000) 5.035 6.511 ( 0.000 -5.709 0.000) 5.709 6.511 ( 0.000 5.709 0.000) 5.709 6.625 ( 0.000 -4.849 0.000) 4.849 6.625 ( 0.000 4.849 0.000) 4.849 6.830 ( 0.000 -4.788 0.000) 4.788 6.830 ( 0.000 4.788 0.000) 4.788 6.950 ( 0.000 -3.955 0.000) 3.955 6.950 ( 0.000 3.955 0.000) 3.955 7.393 ( 0.000 -5.918 0.000) 5.918 7.393 ( 0.000 5.918 0.000) 5.918 7.606 ( 0.000 -1.787 0.000) 1.787 7.606 ( 0.000 1.787 0.000) 1.787 7.938 ( 0.000 -6.687 0.000) 6.687 7.938 ( 0.000 6.687 0.000) 6.687 8.010 ( 0.000 -2.052 0.000) 2.052 8.010 ( 0.000 2.052 0.000) 2.052 8.120 ( 0.000 -5.115 0.000) 5.115 8.120 ( 0.000 5.115 0.000) 5.115 8.281 ( 0.000 -2.683 0.000) 2.683 8.281 ( 0.000 2.683 0.000) 2.683 8.654 ( 0.000 -3.707 0.000) 3.707 8.654 ( 0.000 3.707 0.000) 3.707 8.809 ( 0.000 -9.237 0.000) 9.237 8.809 ( 0.000 9.237 0.000) 9.237 9.071 ( 0.000 -3.381 0.000) 3.381 9.071 ( 0.000 3.381 0.000) 3.381 9.139 ( 0.000 -0.093 0.000) 0.093 9.139 ( 0.000 0.093 0.000) 0.093 9.367 ( 0.000 -5.134 0.000) 5.134 9.367 ( 0.000 5.134 0.000) 5.134 9.541 ( 0.000 -0.635 0.000) 0.635 9.541 ( 0.000 0.635 0.000) 0.635 9.718 ( 0.000 -3.210 0.000) 3.210 9.718 ( 0.000 3.210 0.000) 3.210 9.970 ( 0.000 -1.672 0.000) 1.672 9.970 ( 0.000 1.672 0.000) 1.672 10.026 ( 0.000 -2.656 0.000) 2.656 10.026 ( 0.000 2.656 0.000) 2.656 10.815 ( 0.000 -2.414 0.000) 2.414 10.815 ( 0.000 2.414 0.000) 2.414 12.170 ( 0.000 -3.306 0.000) 3.306 12.170 ( 0.000 3.306 0.000) 3.306 12.309 ( 0.000 -1.742 0.000) 1.742 12.309 ( 0.000 1.742 0.000) 1.742 12.944 ( 0.000 -0.939 0.000) 0.939 12.944 ( 0.000 0.939 0.000) 0.939 13.030 ( 0.000 -1.602 0.000) 1.602 13.030 ( 0.000 1.602 0.000) 1.602 13.402 ( 0.000 -1.973 0.000) 1.973 13.402 ( 0.000 1.973 0.000) 1.973 13.536 ( 0.000 -3.432 0.000) 3.432 13.536 ( 0.000 3.432 0.000) 3.432 13.754 ( 0.000 -0.703 0.000) 0.703 13.754 ( 0.000 0.703 0.000) 0.703 14.003 ( 0.000 -1.701 0.000) 1.701 14.003 ( 0.000 1.701 0.000) 1.701 14.207 ( 0.000 -3.194 0.000) 3.194 14.207 ( 0.000 3.194 0.000) 3.194 14.224 ( 0.000 -0.707 0.000) 0.707 14.224 ( 0.000 0.707 0.000) 0.707 14.367 ( 0.000 -1.401 0.000) 1.401 14.367 ( 0.000 1.401 0.000) 1.401 14.437 ( 0.000 -1.925 0.000) 1.925 14.437 ( 0.000 1.925 0.000) 1.925 14.934 ( 0.000 -1.051 0.000) 1.051 14.934 ( 0.000 1.051 0.000) 1.051 15.036 ( 0.000 -0.633 0.000) 0.633 15.036 ( 0.000 0.633 0.000) 0.633 15.057 ( 0.000 -1.683 0.000) 1.683 15.057 ( 0.000 1.683 0.000) 1.683 15.330 ( 0.000 -0.166 0.000) 0.166 15.330 ( 0.000 0.166 0.000) 0.166 15.725 ( 0.000 -0.724 0.000) 0.724 15.725 ( 0.000 0.724 0.000) 0.724 16.721 ( 0.000 -3.046 0.000) 3.046 16.721 ( 0.000 3.046 0.000) 3.046 16.758 ( 0.000 -1.623 0.000) 1.623 16.758 ( 0.000 1.623 0.000) 1.623 16.843 ( 0.000 -4.924 0.000) 4.924 16.843 ( 0.000 4.924 0.000) 4.924 18.908 ( 0.000 -4.772 0.000) 4.772 18.908 ( 0.000 4.772 0.000) 4.772 19.071 ( 0.000 -6.625 0.000) 6.625 19.071 ( 0.000 6.625 0.000) 6.625 20.571 ( 0.000 -1.320 0.000) 1.320 20.571 ( 0.000 1.320 0.000) 1.320 20.761 ( 0.000 -2.850 0.000) 2.850 20.761 ( 0.000 2.850 0.000) 2.850 21.018 ( 0.000 -1.837 0.000) 1.837 21.018 ( 0.000 1.837 0.000) 1.837 21.196 ( 0.000 -1.491 0.000) 1.491 21.196 ( 0.000 1.491 0.000) 1.491 21.522 ( 0.000 -0.382 0.000) 0.382 21.522 ( 0.000 0.382 0.000) 0.382 21.596 ( 0.000 -0.932 0.000) 0.932 21.596 ( 0.000 0.932 0.000) 0.932 21.981 ( 0.000 -1.216 0.000) 1.216 21.981 ( 0.000 1.216 0.000) 1.216 22.199 ( 0.000 -1.788 0.000) 1.788 22.199 ( 0.000 1.788 0.000) 1.788 23.011 ( 0.000 -4.597 0.000) 4.597 23.011 ( 0.000 4.597 0.000) 4.597 23.049 ( 0.000 -4.454 0.000) 4.454 23.049 ( 0.000 4.454 0.000) 4.454 23.845 ( 0.000 -0.074 0.000) 0.074 23.845 ( 0.000 0.074 0.000) 0.074 24.098 ( 0.000 -0.288 0.000) 0.288 24.098 ( 0.000 0.288 0.000) 0.288 24.539 ( 0.000 -1.981 0.000) 1.981 24.539 ( 0.000 1.981 0.000) 1.981 24.746 ( 0.000 -0.387 0.000) 0.387 24.746 ( 0.000 0.387 0.000) 0.387 25.078 ( 0.000 -0.260 0.000) 0.260 25.078 ( 0.000 0.260 0.000) 0.260 25.281 ( 0.000 -0.875 0.000) 0.875 25.281 ( 0.000 0.875 0.000) 0.875 25.947 ( 0.000 -1.587 0.000) 1.587 25.947 ( 0.000 1.587 0.000) 1.587 26.101 ( 0.000 -0.841 0.000) 0.841 26.101 ( 0.000 0.841 0.000) 0.841 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 9.798 -0.664 0.000) 9.820 1.043 ( 9.798 0.664 0.000) 9.820 1.494 ( -2.718 -0.147 0.000) 2.722 1.494 ( -2.718 0.147 0.000) 2.722 1.650 ( -3.479 -1.038 0.000) 3.631 1.650 ( -3.479 1.038 0.000) 3.631 1.810 ( -0.446 -5.603 0.000) 5.620 1.810 ( -0.446 5.603 0.000) 5.621 1.958 ( 0.636 -3.158 0.000) 3.221 1.958 ( 0.636 3.158 0.000) 3.221 2.204 ( 4.119 -1.379 0.000) 4.343 2.204 ( 4.119 1.379 0.000) 4.343 2.345 ( 8.290 -4.456 0.000) 9.411 2.345 ( 8.290 4.456 0.000) 9.411 2.541 ( -3.262 -1.617 0.000) 3.641 2.541 ( -3.262 1.617 0.000) 3.641 2.625 ( -0.508 -2.181 0.000) 2.239 2.625 ( -0.508 2.181 0.000) 2.239 2.762 ( -3.488 -1.253 0.000) 3.706 2.762 ( -3.488 1.253 0.000) 3.706 2.923 ( 5.631 -3.599 0.000) 6.682 2.923 ( 5.631 3.599 0.000) 6.682 3.064 ( 1.254 -1.402 0.000) 1.882 3.064 ( 1.254 1.402 0.000) 1.882 3.151 ( 0.402 -1.410 0.000) 1.466 3.151 ( 0.402 1.410 0.000) 1.466 3.250 ( 1.370 -2.114 0.000) 2.519 3.250 ( 1.370 2.114 0.000) 2.519 3.528 ( -3.283 -4.925 0.000) 5.919 3.528 ( -3.283 4.925 0.000) 5.919 3.733 ( -2.707 -1.697 0.000) 3.195 3.733 ( -2.707 1.697 0.000) 3.195 3.871 ( 1.191 -1.740 0.000) 2.108 3.871 ( 1.191 1.740 0.000) 2.108 4.039 ( 2.357 -0.519 0.000) 2.413 4.039 ( 2.357 0.519 0.000) 2.413 4.239 ( -3.382 -1.749 0.000) 3.808 4.239 ( -3.382 1.749 0.000) 3.808 4.327 ( -1.843 -5.413 0.000) 5.719 4.327 ( -1.843 5.413 0.000) 5.719 4.518 ( -2.888 -1.002 0.000) 3.056 4.518 ( -2.888 1.002 0.000) 3.056 4.662 ( -1.883 -5.432 0.000) 5.749 4.662 ( -1.883 5.432 0.000) 5.749 4.728 ( -3.435 -1.249 0.000) 3.655 4.728 ( -3.435 1.249 0.000) 3.655 4.823 ( 0.658 -1.734 0.000) 1.854 4.823 ( 0.658 1.734 0.000) 1.854 4.974 ( -1.532 -5.060 0.000) 5.287 4.974 ( -1.532 5.060 0.000) 5.287 5.019 ( -1.360 -3.575 0.000) 3.825 5.019 ( -1.360 3.575 0.000) 3.825 5.112 ( 0.038 -0.955 0.000) 0.956 5.112 ( 0.038 0.955 0.000) 0.956 5.253 ( -4.201 -0.499 0.000) 4.231 5.253 ( -4.201 0.499 0.000) 4.231 5.409 ( 7.333 -1.845 0.000) 7.562 5.409 ( 7.333 1.845 0.000) 7.562 5.619 ( 0.415 -2.036 0.000) 2.078 5.619 ( 0.415 2.036 0.000) 2.078 5.776 ( -2.482 -3.483 0.000) 4.277 5.776 ( -2.482 3.483 0.000) 4.277 5.860 ( -2.470 -1.329 0.000) 2.805 5.860 ( -2.470 1.329 0.000) 2.805 6.058 ( 5.220 -1.686 0.000) 5.486 6.058 ( 5.220 1.686 0.000) 5.486 6.186 ( 3.643 -1.999 0.000) 4.155 6.186 ( 3.643 1.999 0.000) 4.155 6.225 ( 1.635 -0.973 0.000) 1.902 6.225 ( 1.635 0.973 0.000) 1.902 6.350 ( 0.381 -3.263 0.000) 3.285 6.350 ( 0.381 3.263 0.000) 3.285 6.398 ( -6.865 -0.991 0.000) 6.936 6.398 ( -6.865 0.991 0.000) 6.936 6.721 ( 5.503 -3.489 0.000) 6.516 6.721 ( 5.503 3.489 0.000) 6.516 6.817 ( -0.775 -0.176 0.000) 0.795 6.817 ( -0.775 0.176 0.000) 0.795 6.998 ( 4.019 -4.141 0.000) 5.771 6.998 ( 4.019 4.141 0.000) 5.771 7.374 ( -1.843 -5.805 0.000) 6.091 7.374 ( -1.843 5.805 0.000) 6.091 7.618 ( 1.600 -0.760 0.000) 1.771 7.618 ( 1.600 0.760 0.000) 1.771 7.855 ( -8.825 -2.891 0.000) 9.287 7.855 ( -8.825 2.891 0.000) 9.287 7.904 ( -4.926 -0.921 0.000) 5.012 7.904 ( -4.926 0.921 0.000) 5.012 8.190 ( 3.862 -4.838 0.000) 6.190 8.190 ( 3.862 4.838 0.000) 6.190 8.282 ( -0.184 -3.558 0.000) 3.563 8.282 ( -0.184 3.558 0.000) 3.563 8.648 ( -0.200 -2.234 0.000) 2.243 8.648 ( -0.200 2.234 0.000) 2.243 8.880 ( 5.698 -6.787 0.000) 8.862 8.880 ( 5.698 6.787 0.000) 8.862 9.048 ( -1.311 -1.050 0.000) 1.680 9.048 ( -1.311 1.050 0.000) 1.680 9.188 ( 2.953 -3.038 0.000) 4.237 9.188 ( 2.953 3.038 0.000) 4.237 9.326 ( -3.318 -2.350 0.000) 4.066 9.326 ( -3.318 2.350 0.000) 4.066 9.567 ( 1.985 -0.553 0.000) 2.061 9.567 ( 1.985 0.553 0.000) 2.061 9.700 ( -0.994 -2.067 0.000) 2.294 9.700 ( -0.994 2.067 0.000) 2.294 9.911 ( -3.027 -1.601 0.000) 3.424 9.911 ( -3.027 1.601 0.000) 3.424 10.134 ( 6.878 -4.746 0.000) 8.356 10.134 ( 6.878 4.746 0.000) 8.356 10.776 ( -3.392 -2.187 0.000) 4.035 10.776 ( -3.392 2.187 0.000) 4.035 12.153 ( -1.120 -0.406 0.000) 1.192 12.153 ( -1.120 0.406 0.000) 1.192 12.352 ( 3.221 -0.103 0.000) 3.223 12.352 ( 3.221 0.103 0.000) 3.223 12.939 ( -0.330 -0.177 0.000) 0.374 12.939 ( -0.330 0.177 0.000) 0.374 13.047 ( 1.332 -0.963 0.000) 1.643 13.047 ( 1.332 0.963 0.000) 1.643 13.417 ( 1.460 -1.189 0.000) 1.883 13.417 ( 1.460 1.189 0.000) 1.883 13.517 ( -1.640 -2.356 0.000) 2.870 13.517 ( -1.640 2.356 0.000) 2.870 13.789 ( 3.335 -1.944 0.000) 3.860 13.789 ( 3.335 1.944 0.000) 3.860 13.996 ( -1.412 -1.716 0.000) 2.223 13.996 ( -1.412 1.716 0.000) 2.223 14.199 ( -0.526 -3.176 0.000) 3.219 14.199 ( -0.526 3.176 0.000) 3.219 14.230 ( 0.413 -0.184 0.000) 0.453 14.230 ( 0.413 0.184 0.000) 0.453 14.322 ( -3.200 -0.522 0.000) 3.243 14.322 ( -3.200 0.522 0.000) 3.243 14.396 ( -3.644 -1.219 0.000) 3.842 14.396 ( -3.644 1.219 0.000) 3.842 14.920 ( -0.588 -0.331 0.000) 0.675 14.920 ( -0.588 0.331 0.000) 0.675 15.015 ( -1.137 -1.450 0.000) 1.843 15.015 ( -1.137 1.450 0.000) 1.843 15.118 ( 4.184 -0.690 0.000) 4.241 15.118 ( 4.184 0.690 0.000) 4.241 15.286 ( -3.472 -0.070 0.000) 3.473 15.286 ( -3.472 0.070 0.000) 3.473 15.826 ( 8.002 -0.050 0.000) 8.002 15.826 ( 8.002 0.050 0.000) 8.002 16.640 ( -5.321 -0.360 0.000) 5.334 16.640 ( -5.321 0.360 0.000) 5.334 16.801 ( 2.014 -1.880 0.000) 2.755 16.801 ( 2.014 1.880 0.000) 2.755 16.841 ( -0.316 -4.391 0.000) 4.402 16.841 ( -0.316 4.391 0.000) 4.402 18.925 ( 1.555 -4.343 0.000) 4.613 18.925 ( 1.555 4.343 0.000) 4.613 19.055 ( -1.484 -5.691 0.000) 5.881 19.055 ( -1.484 5.691 0.000) 5.881 20.586 ( 1.375 -1.426 0.000) 1.981 20.586 ( 1.375 1.426 0.000) 1.981 20.750 ( -1.039 -0.964 0.000) 1.417 20.750 ( -1.039 0.964 0.000) 1.417 21.007 ( -0.845 -0.678 0.000) 1.083 21.007 ( -0.845 0.678 0.000) 1.083 21.203 ( 0.505 -0.074 0.000) 0.510 21.203 ( 0.505 0.074 0.000) 0.510 21.513 ( -0.726 -0.265 0.000) 0.773 21.513 ( -0.726 0.265 0.000) 0.773 21.596 ( -0.005 -0.292 0.000) 0.292 21.596 ( -0.005 0.292 0.000) 0.292 22.005 ( 2.293 -0.284 0.000) 2.311 22.005 ( 2.293 0.284 0.000) 2.311 22.184 ( -1.551 -1.096 0.000) 1.899 22.184 ( -1.551 1.096 0.000) 1.899 22.966 ( -2.688 -0.248 0.000) 2.700 22.966 ( -2.688 0.248 0.000) 2.700 23.075 ( 1.189 -0.196 0.000) 1.205 23.075 ( 1.189 0.196 0.000) 1.205 23.886 ( 3.803 -0.046 0.000) 3.803 23.886 ( 3.803 0.046 0.000) 3.803 24.070 ( -2.743 -0.114 0.000) 2.745 24.070 ( -2.743 0.114 0.000) 2.745 24.569 ( 2.821 -1.421 0.000) 3.159 24.569 ( 2.821 1.421 0.000) 3.159 24.721 ( -2.442 -0.291 0.000) 2.459 24.721 ( -2.442 0.291 0.000) 2.459 25.106 ( 2.792 -0.248 0.000) 2.803 25.106 ( 2.792 0.248 0.000) 2.803 25.249 ( -3.072 -0.519 0.000) 3.116 25.249 ( -3.072 0.519 0.000) 3.116 25.968 ( 2.107 -1.300 0.000) 2.476 25.968 ( 2.107 1.300 0.000) 2.476 26.076 ( -2.362 -0.529 0.000) 2.420 26.076 ( -2.362 0.529 0.000) 2.420 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -0.000 0.000 0.000) 0.000 1.207 ( -0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.572 ( -0.000 0.000 0.000) 0.000 2.572 ( -0.000 0.000 0.000) 0.000 2.638 ( -0.000 0.000 0.000) 0.000 2.638 ( -0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.116 ( -0.000 0.000 0.000) 0.000 3.116 ( -0.000 0.000 0.000) 0.000 3.140 ( 0.000 -0.000 0.000) 0.000 3.140 ( 0.000 -0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.230 ( -0.000 -0.000 0.000) 0.000 4.230 ( -0.000 -0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 -0.000 0.000) 0.000 4.647 ( 0.000 -0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 -0.000 0.000) 0.000 4.980 ( 0.000 -0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.805 ( -0.000 0.000 0.000) 0.000 6.805 ( -0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.706 ( -0.000 0.000 0.000) 0.000 7.706 ( -0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 14.319 ( -0.000 -0.000 0.000) 0.000 14.319 ( -0.000 -0.000 0.000) 0.000 14.329 ( 0.000 0.000 0.000) 0.000 14.329 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 16.575 ( 0.000 0.000 0.000) 0.000 16.575 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.830 ( -0.000 -0.000 0.000) 0.000 16.830 ( -0.000 -0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 20.605 ( -0.000 0.000 0.000) 0.000 20.605 ( -0.000 0.000 0.000) 0.000 20.735 ( 0.000 0.000 0.000) 0.000 20.735 ( 0.000 0.000 0.000) 0.000 20.997 ( 0.000 0.000 0.000) 0.000 20.997 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.504 ( 0.000 0.000 0.000) 0.000 21.504 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 22.039 ( -0.000 0.000 0.000) 0.000 22.039 ( -0.000 0.000 0.000) 0.000 22.159 ( 0.000 0.000 0.000) 0.000 22.159 ( 0.000 0.000 0.000) 0.000 22.937 ( 0.000 0.000 0.000) 0.000 22.937 ( 0.000 0.000 0.000) 0.000 23.086 ( 0.000 0.000 0.000) 0.000 23.086 ( 0.000 0.000 0.000) 0.000 23.949 ( 0.000 0.000 0.000) 0.000 23.949 ( 0.000 0.000 0.000) 0.000 24.020 ( 0.000 0.000 0.000) 0.000 24.020 ( 0.000 0.000 0.000) 0.000 24.617 ( 0.000 0.000 0.000) 0.000 24.617 ( 0.000 0.000 0.000) 0.000 24.677 ( 0.000 0.000 0.000) 0.000 24.677 ( 0.000 0.000 0.000) 0.000 25.172 ( 0.000 0.000 0.000) 0.000 25.172 ( 0.000 0.000 0.000) 0.000 25.179 ( -0.000 0.000 0.000) 0.000 25.179 ( -0.000 0.000 0.000) 0.000 26.018 ( 0.000 0.000 0.000) 0.000 26.018 ( 0.000 0.000 0.000) 0.000 26.023 ( -0.000 0.000 0.000) 0.000 26.023 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 0.000 25.501) 25.501 0.564 ( 0.000 0.000 29.653) 29.653 1.040 ( 0.000 0.000 46.155) 46.155 1.404 ( 0.000 0.000 4.532) 4.532 1.489 ( 0.000 0.000 1.009) 1.009 1.619 ( 0.000 0.000 -2.396) 2.396 1.621 ( 0.000 0.000 8.977) 8.977 1.674 ( 0.000 0.000 0.835) 0.835 1.858 ( 0.000 0.000 -4.623) 4.623 1.876 ( 0.000 0.000 -0.364) 0.364 1.986 ( 0.000 0.000 4.445) 4.445 2.089 ( 0.000 0.000 -2.226) 2.226 2.131 ( 0.000 0.000 -6.323) 6.323 2.223 ( 0.000 0.000 9.257) 9.257 2.483 ( 0.000 0.000 3.137) 3.137 2.575 ( 0.000 0.000 -0.236) 0.236 2.638 ( 0.000 0.000 -2.758) 2.758 2.718 ( 0.000 0.000 -4.488) 4.488 2.719 ( 0.000 0.000 15.711) 15.711 2.762 ( 0.000 0.000 -2.821) 2.821 2.774 ( 0.000 0.000 1.569) 1.569 3.029 ( 0.000 0.000 3.896) 3.896 3.122 ( 0.000 0.000 1.884) 1.884 3.180 ( 0.000 0.000 -3.122) 3.122 3.229 ( 0.000 0.000 0.391) 0.391 3.322 ( 0.000 0.000 -0.425) 0.425 3.481 ( 0.000 0.000 3.625) 3.625 3.497 ( 0.000 0.000 -6.686) 6.686 3.552 ( 0.000 0.000 11.776) 11.776 3.737 ( 0.000 0.000 -3.650) 3.650 3.746 ( 0.000 0.000 -0.357) 0.357 3.837 ( 0.000 0.000 1.952) 1.952 3.850 ( 0.000 0.000 -12.319) 12.319 3.862 ( 0.000 0.000 -4.179) 4.179 4.009 ( 0.000 0.000 -6.497) 6.497 4.133 ( 0.000 0.000 -5.345) 5.345 4.141 ( 0.000 0.000 -2.187) 2.187 4.186 ( 0.000 0.000 -8.514) 8.514 4.239 ( 0.000 0.000 2.748) 2.748 4.336 ( 0.000 0.000 3.111) 3.111 4.346 ( 0.000 0.000 -6.865) 6.865 4.398 ( 0.000 0.000 -7.870) 7.870 4.478 ( 0.000 0.000 -2.779) 2.779 4.521 ( 0.000 0.000 5.101) 5.101 4.585 ( 0.000 0.000 -3.256) 3.256 4.662 ( 0.000 0.000 -2.732) 2.732 4.789 ( 0.000 0.000 4.216) 4.216 4.831 ( 0.000 0.000 4.781) 4.781 4.906 ( 0.000 0.000 0.812) 0.812 4.934 ( 0.000 0.000 -3.082) 3.082 4.987 ( 0.000 0.000 1.443) 1.443 5.063 ( 0.000 0.000 0.447) 0.447 5.180 ( 0.000 0.000 -0.075) 0.075 5.208 ( 0.000 0.000 -4.339) 4.339 5.300 ( 0.000 0.000 6.845) 6.845 5.331 ( 0.000 0.000 -1.367) 1.367 5.426 ( 0.000 0.000 5.060) 5.060 5.505 ( 0.000 0.000 2.621) 2.621 5.535 ( 0.000 0.000 -1.943) 1.943 5.619 ( 0.000 0.000 1.705) 1.705 5.629 ( 0.000 0.000 -0.170) 0.170 5.803 ( 0.000 0.000 2.217) 2.217 5.805 ( 0.000 0.000 -0.602) 0.602 5.856 ( 0.000 0.000 -2.540) 2.540 5.969 ( 0.000 0.000 -0.718) 0.718 5.995 ( 0.000 0.000 -2.948) 2.948 5.997 ( 0.000 0.000 -1.620) 1.620 6.027 ( 0.000 0.000 3.642) 3.642 6.131 ( 0.000 0.000 -1.490) 1.490 6.154 ( 0.000 0.000 -8.140) 8.140 6.172 ( 0.000 0.000 0.234) 0.234 6.364 ( 0.000 0.000 -8.432) 8.432 6.407 ( 0.000 0.000 -0.063) 0.063 6.411 ( 0.000 0.000 7.283) 7.283 6.439 ( 0.000 0.000 5.085) 5.085 6.649 ( 0.000 0.000 0.102) 0.102 6.730 ( 0.000 0.000 6.831) 6.831 6.794 ( 0.000 0.000 2.991) 2.991 6.859 ( 0.000 0.000 7.070) 7.070 6.943 ( 0.000 0.000 -0.895) 0.895 7.157 ( 0.000 0.000 -3.572) 3.572 7.223 ( 0.000 0.000 -0.380) 0.380 7.448 ( 0.000 0.000 -18.924) 18.924 7.530 ( 0.000 0.000 -2.898) 2.898 7.732 ( 0.000 0.000 -3.346) 3.346 7.844 ( 0.000 0.000 -0.337) 0.337 7.944 ( 0.000 0.000 -2.037) 2.037 7.954 ( 0.000 0.000 1.638) 1.638 8.024 ( 0.000 0.000 -0.447) 0.447 8.111 ( 0.000 0.000 6.953) 6.953 8.313 ( 0.000 0.000 4.838) 4.838 8.456 ( 0.000 0.000 1.330) 1.330 8.510 ( 0.000 0.000 -8.382) 8.382 8.703 ( 0.000 0.000 -0.080) 0.080 8.789 ( 0.000 0.000 0.225) 0.225 8.805 ( 0.000 0.000 -1.403) 1.403 8.930 ( 0.000 0.000 1.959) 1.959 9.032 ( 0.000 0.000 6.918) 6.918 9.065 ( 0.000 0.000 -2.642) 2.642 9.107 ( 0.000 0.000 6.121) 6.121 9.268 ( 0.000 0.000 0.912) 0.912 9.455 ( 0.000 0.000 0.644) 0.644 9.533 ( 0.000 0.000 -5.434) 5.434 9.685 ( 0.000 0.000 5.266) 5.266 9.709 ( 0.000 0.000 -2.227) 2.227 9.897 ( 0.000 0.000 4.600) 4.600 10.282 ( 0.000 0.000 4.529) 4.529 10.626 ( 0.000 0.000 -4.189) 4.189 10.720 ( 0.000 0.000 -0.370) 0.370 10.731 ( 0.000 0.000 -1.755) 1.755 10.811 ( 0.000 0.000 4.608) 4.608 11.187 ( 0.000 0.000 -4.718) 4.718 12.103 ( 0.000 0.000 3.598) 3.598 12.139 ( 0.000 0.000 1.852) 1.852 12.275 ( 0.000 0.000 -1.832) 1.832 12.382 ( 0.000 0.000 -3.143) 3.143 13.007 ( 0.000 0.000 2.321) 2.321 13.034 ( 0.000 0.000 3.439) 3.439 13.222 ( 0.000 0.000 -4.679) 4.679 13.267 ( 0.000 0.000 -2.043) 2.043 13.433 ( 0.000 0.000 5.132) 5.132 13.438 ( 0.000 0.000 0.260) 0.260 13.461 ( 0.000 0.000 2.733) 2.733 13.506 ( 0.000 0.000 -1.647) 1.647 13.667 ( 0.000 0.000 -0.580) 0.580 13.723 ( 0.000 0.000 -1.912) 1.912 14.030 ( 0.000 0.000 2.156) 2.156 14.056 ( 0.000 0.000 1.009) 1.009 14.270 ( 0.000 0.000 -0.138) 0.138 14.302 ( 0.000 0.000 -0.010) 0.010 14.313 ( 0.000 0.000 -0.389) 0.389 14.350 ( 0.000 0.000 -0.788) 0.788 14.630 ( 0.000 0.000 -1.666) 1.666 14.651 ( 0.000 0.000 -0.015) 0.015 14.685 ( 0.000 0.000 0.208) 0.208 14.686 ( 0.000 0.000 0.344) 0.344 14.882 ( 0.000 0.000 2.038) 2.038 14.968 ( 0.000 0.000 0.293) 0.293 14.980 ( 0.000 0.000 -0.918) 0.918 15.064 ( 0.000 0.000 0.320) 0.320 15.073 ( 0.000 0.000 -3.462) 3.462 15.074 ( 0.000 0.000 -0.832) 0.832 15.184 ( 0.000 0.000 4.922) 4.922 15.550 ( 0.000 0.000 0.281) 0.281 15.585 ( 0.000 0.000 -5.308) 5.308 15.616 ( 0.000 0.000 -1.858) 1.858 15.918 ( 0.000 0.000 0.231) 0.231 16.019 ( 0.000 0.000 -1.973) 1.973 16.343 ( 0.000 0.000 3.561) 3.561 16.521 ( 0.000 0.000 5.061) 5.061 16.567 ( 0.000 0.000 -2.338) 2.338 16.991 ( 0.000 0.000 -7.035) 7.035 18.670 ( 0.000 0.000 8.875) 8.875 18.804 ( 0.000 0.000 8.322) 8.322 19.272 ( 0.000 0.000 -3.884) 3.884 19.411 ( 0.000 0.000 -5.059) 5.059 20.546 ( 0.000 0.000 -2.083) 2.083 20.761 ( 0.000 0.000 -2.069) 2.069 20.863 ( 0.000 0.000 0.561) 0.561 20.865 ( 0.000 0.000 -9.304) 9.304 20.918 ( 0.000 0.000 5.635) 5.635 21.324 ( 0.000 0.000 5.394) 5.394 21.370 ( 0.000 0.000 -4.287) 4.287 21.473 ( 0.000 0.000 0.555) 0.555 21.756 ( 0.000 0.000 2.173) 2.173 21.769 ( 0.000 0.000 2.376) 2.376 21.865 ( 0.000 0.000 -1.194) 1.194 21.912 ( 0.000 0.000 -1.885) 1.885 22.116 ( 0.000 0.000 3.210) 3.210 22.233 ( 0.000 0.000 -1.338) 1.338 22.371 ( 0.000 0.000 1.811) 1.811 22.465 ( 0.000 0.000 -0.574) 0.574 23.412 ( 0.000 0.000 -0.263) 0.263 23.444 ( 0.000 0.000 0.347) 0.347 23.459 ( 0.000 0.000 0.034) 0.034 23.487 ( 0.000 0.000 -0.632) 0.632 23.689 ( 0.000 0.000 0.403) 0.403 23.722 ( 0.000 0.000 0.350) 0.350 23.776 ( 0.000 0.000 -0.958) 0.958 23.784 ( 0.000 0.000 -1.478) 1.478 24.182 ( 0.000 0.000 0.387) 0.387 24.211 ( 0.000 0.000 0.322) 0.322 24.223 ( 0.000 0.000 -0.061) 0.061 24.405 ( 0.000 0.000 -6.986) 6.986 24.944 ( 0.000 0.000 2.625) 2.625 25.003 ( 0.000 0.000 1.875) 1.875 25.024 ( 0.000 0.000 0.613) 0.613 25.055 ( 0.000 0.000 -0.169) 0.169 25.858 ( 0.000 0.000 0.948) 0.948 25.927 ( 0.000 0.000 -0.746) 0.746 25.968 ( 0.000 0.000 0.921) 0.921 26.018 ( 0.000 0.000 -0.270) 0.270 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 18.448 0.000 16.607) 24.822 0.900 ( 21.994 0.000 20.426) 30.016 1.283 ( 19.523 0.000 22.828) 30.038 1.439 ( 0.691 0.000 5.056) 5.102 1.521 ( 1.217 0.000 1.968) 2.314 1.537 ( -3.956 0.000 15.594) 16.088 1.604 ( -7.060 0.000 4.184) 8.207 1.782 ( 10.510 0.000 -7.870) 13.130 1.830 ( -3.821 0.000 -4.479) 5.887 1.853 ( -0.150 0.000 0.014) 0.150 2.002 ( 0.234 0.000 2.648) 2.658 2.130 ( 0.519 0.000 -2.786) 2.834 2.227 ( 13.602 0.000 -4.118) 14.211 2.251 ( 2.161 0.000 7.144) 7.464 2.416 ( -5.508 0.000 -0.371) 5.520 2.541 ( -3.884 0.000 1.883) 4.317 2.555 ( -4.774 0.000 -0.886) 4.856 2.674 ( -3.264 0.000 7.111) 7.824 2.727 ( -0.306 0.000 -2.146) 2.168 2.732 ( -1.310 0.000 3.534) 3.769 2.841 ( 3.214 0.000 -3.111) 4.473 3.021 ( -2.162 0.000 4.130) 4.662 3.086 ( 0.266 0.000 5.436) 5.443 3.198 ( -2.985 0.000 0.888) 3.114 3.206 ( -1.859 0.000 1.068) 2.144 3.356 ( 7.655 0.000 -3.424) 8.386 3.365 ( -9.229 0.000 7.569) 11.936 3.580 ( 6.408 0.000 -6.700) 9.271 3.586 ( 0.900 0.000 7.414) 7.468 3.723 ( -3.063 0.000 -3.973) 5.017 3.728 ( -1.579 0.000 -0.239) 1.597 3.794 ( -3.345 0.000 -8.209) 8.864 3.816 ( 1.012 0.000 -1.503) 1.812 3.911 ( 2.449 0.000 -2.982) 3.859 4.033 ( 2.813 0.000 -5.617) 6.282 4.039 ( -8.818 0.000 -2.236) 9.097 4.087 ( -5.891 0.000 -6.596) 8.844 4.200 ( -4.573 0.000 -1.449) 4.797 4.256 ( 4.851 0.000 -5.924) 7.657 4.292 ( -3.241 0.000 -2.369) 4.014 4.359 ( 3.201 0.000 0.508) 3.241 4.463 ( 6.022 0.000 -5.096) 7.889 4.505 ( 1.982 0.000 -1.248) 2.342 4.529 ( 0.549 0.000 3.600) 3.642 4.567 ( -1.431 0.000 -2.019) 2.475 4.668 ( 2.329 0.000 -3.267) 4.013 4.690 ( -6.765 0.000 1.745) 6.986 4.787 ( -4.667 0.000 1.260) 4.834 4.906 ( -0.634 0.000 -1.101) 1.270 4.911 ( -1.589 0.000 -0.754) 1.759 5.039 ( 3.631 0.000 0.232) 3.638 5.133 ( 4.971 0.000 0.419) 4.989 5.184 ( -3.044 0.000 -1.258) 3.294 5.249 ( 5.604 0.000 0.134) 5.606 5.285 ( -1.754 0.000 2.222) 2.831 5.333 ( 0.802 0.000 0.649) 1.032 5.406 ( -0.526 0.000 3.218) 3.261 5.478 ( -6.077 0.000 0.948) 6.151 5.556 ( 1.104 0.000 1.549) 1.902 5.559 ( 3.553 0.000 4.306) 5.583 5.720 ( -5.692 0.000 -2.646) 6.277 5.728 ( 2.083 0.000 -0.729) 2.207 5.798 ( -1.606 0.000 -1.734) 2.364 5.815 ( -2.579 0.000 -1.174) 2.833 5.941 ( -3.005 0.000 1.122) 3.207 5.944 ( -1.401 0.000 1.055) 1.754 6.014 ( -0.262 0.000 1.173) 1.202 6.059 ( 0.996 0.000 -2.404) 2.602 6.133 ( 1.868 0.000 -1.785) 2.583 6.151 ( 2.060 0.000 -3.583) 4.133 6.298 ( 5.862 0.000 -2.514) 6.378 6.330 ( -1.401 0.000 -1.675) 2.184 6.380 ( -0.501 0.000 2.761) 2.806 6.473 ( 1.708 0.000 0.565) 1.799 6.584 ( 10.976 0.000 -4.334) 11.800 6.631 ( 2.293 0.000 0.834) 2.440 6.780 ( -0.274 0.000 1.534) 1.559 6.799 ( 3.178 0.000 5.819) 6.630 6.899 ( 4.961 0.000 5.973) 7.765 6.935 ( -2.809 0.000 3.596) 4.563 7.070 ( -8.561 0.000 -4.355) 9.605 7.150 ( -4.956 0.000 -2.592) 5.593 7.366 ( -4.431 0.000 -13.140) 13.867 7.485 ( -6.243 0.000 -1.561) 6.435 7.787 ( 4.019 0.000 -3.731) 5.484 7.799 ( -6.137 0.000 3.024) 6.842 7.841 ( -1.789 0.000 -2.499) 3.073 7.933 ( -2.679 0.000 -1.448) 3.045 8.086 ( -1.009 0.000 10.472) 10.521 8.136 ( 3.364 0.000 1.479) 3.674 8.358 ( -1.503 0.000 4.938) 5.162 8.369 ( 4.579 0.000 1.146) 4.720 8.505 ( -4.667 0.000 3.979) 6.133 8.620 ( -6.475 0.000 -3.257) 7.248 8.767 ( 4.296 0.000 3.182) 5.346 8.867 ( 3.409 0.000 4.152) 5.372 8.897 ( 0.679 0.000 -3.397) 3.464 9.006 ( 0.542 0.000 3.066) 3.114 9.067 ( -5.427 0.000 -4.653) 7.149 9.118 ( -1.134 0.000 5.674) 5.786 9.281 ( 5.596 0.000 4.954) 7.474 9.420 ( -3.128 0.000 1.559) 3.495 9.472 ( -4.090 0.000 1.423) 4.331 9.622 ( -7.001 0.000 3.882) 8.005 9.789 ( 7.847 0.000 -0.317) 7.853 10.013 ( 10.662 0.000 3.106) 11.105 10.135 ( -13.656 0.000 9.744) 16.776 10.351 ( -5.476 0.000 3.349) 6.419 10.627 ( -3.146 0.000 2.283) 3.887 10.741 ( -7.365 0.000 5.813) 9.382 10.874 ( 8.300 0.000 -3.267) 8.920 11.136 ( -4.215 0.000 -4.853) 6.427 12.115 ( 0.716 0.000 3.080) 3.162 12.135 ( -0.301 0.000 2.231) 2.251 12.308 ( 2.843 0.000 -2.342) 3.684 12.377 ( -0.312 0.000 -3.301) 3.315 13.011 ( 0.440 0.000 3.119) 3.149 13.021 ( -0.090 0.000 4.655) 4.656 13.261 ( 3.196 0.000 -4.466) 5.492 13.334 ( 0.866 0.000 -4.036) 4.128 13.435 ( 0.262 0.000 0.216) 0.340 13.441 ( 0.109 0.000 1.956) 1.959 13.504 ( 5.209 0.000 3.574) 6.317 13.520 ( 1.222 0.000 -2.888) 3.135 13.631 ( -1.463 0.000 0.278) 1.489 13.800 ( 6.208 0.000 -1.718) 6.442 13.959 ( -8.955 0.000 2.046) 9.186 14.033 ( -2.044 0.000 1.458) 2.511 14.237 ( -2.419 0.000 0.418) 2.455 14.249 ( -4.463 0.000 -1.352) 4.663 14.310 ( 0.228 0.000 -0.850) 0.880 14.330 ( -2.159 0.000 -1.474) 2.615 14.614 ( -0.494 0.000 -0.041) 0.496 14.638 ( -1.778 0.000 1.441) 2.289 14.691 ( 2.662 0.000 -1.656) 3.135 14.728 ( 0.716 0.000 -1.244) 1.435 14.845 ( -0.524 0.000 3.458) 3.497 14.868 ( -1.095 0.000 2.272) 2.522 15.008 ( 0.458 0.000 1.786) 1.844 15.068 ( -0.917 0.000 -1.194) 1.505 15.113 ( 2.875 0.000 -1.491) 3.238 15.171 ( -0.955 0.000 3.105) 3.248 15.473 ( 10.532 0.000 -12.790) 16.568 15.587 ( -0.092 0.000 -5.526) 5.527 15.623 ( 7.059 0.000 0.341) 7.068 15.780 ( 13.104 0.000 -13.119) 18.543 15.883 ( -3.724 0.000 0.162) 3.727 15.995 ( -2.323 0.000 -2.975) 3.775 16.367 ( 2.533 0.000 3.704) 4.487 16.495 ( -2.617 0.000 4.760) 5.432 16.715 ( 11.565 0.000 -12.482) 17.016 16.969 ( -2.383 0.000 -8.280) 8.616 18.688 ( 1.854 0.000 8.829) 9.022 18.785 ( -1.978 0.000 8.333) 8.565 19.267 ( -0.477 0.000 -2.678) 2.720 19.316 ( -5.424 0.000 2.483) 5.966 20.563 ( 1.873 0.000 -1.797) 2.596 20.700 ( -4.554 0.000 -0.835) 4.630 20.891 ( 2.378 0.000 -0.047) 2.378 20.918 ( 3.285 0.000 -9.954) 10.482 20.971 ( 4.079 0.000 4.003) 5.715 21.178 ( -8.908 0.000 9.719) 13.184 21.386 ( 1.791 0.000 -4.370) 4.723 21.499 ( -1.366 0.000 -3.040) 3.333 21.771 ( 1.792 0.000 2.334) 2.942 21.783 ( 1.246 0.000 3.092) 3.334 21.875 ( 1.054 0.000 -0.764) 1.302 21.932 ( 1.041 0.000 -1.337) 1.694 22.111 ( -0.642 0.000 2.990) 3.058 22.197 ( -11.946 0.000 11.430) 16.533 22.235 ( 0.642 0.000 -0.639) 0.906 22.356 ( -4.657 0.000 2.004) 5.070 23.417 ( 0.431 0.000 -0.088) 0.440 23.435 ( -0.483 0.000 0.749) 0.891 23.475 ( 0.736 0.000 -0.306) 0.797 23.487 ( -0.047 0.000 -0.511) 0.514 23.699 ( 0.981 0.000 0.179) 0.997 23.728 ( 0.296 0.000 -1.170) 1.207 23.789 ( 0.433 0.000 -1.346) 1.414 23.796 ( 0.717 0.000 -1.094) 1.308 24.109 ( -1.598 0.000 3.756) 4.082 24.164 ( -1.804 0.000 0.654) 1.919 24.364 ( 4.739 0.000 -7.557) 8.920 24.409 ( 0.302 0.000 -7.216) 7.222 24.917 ( -4.702 0.000 6.895) 8.346 24.926 ( -1.630 0.000 3.202) 3.594 25.002 ( -0.083 0.000 1.488) 1.490 25.028 ( -1.486 0.000 0.601) 1.603 25.861 ( 1.719 0.000 1.772) 2.469 25.950 ( -1.742 0.000 1.097) 2.059 25.997 ( 2.587 0.000 -3.366) 4.245 26.021 ( 0.128 0.000 -0.602) 0.615 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -13.116 0.000 9.130) 15.981 1.065 ( 13.116 0.000 9.130) 15.981 1.337 ( -12.652 0.000 13.941) 18.826 1.337 ( 12.652 0.000 13.941) 18.826 1.541 ( -3.644 0.000 1.910) 4.114 1.541 ( 3.644 0.000 1.910) 4.114 1.725 ( -7.888 0.000 2.423) 8.252 1.725 ( 7.888 0.000 2.423) 8.252 1.890 ( -1.078 0.000 0.226) 1.101 1.890 ( 1.078 0.000 0.226) 1.101 2.076 ( -9.749 0.000 7.724) 12.438 2.076 ( 9.749 0.000 7.724) 12.438 2.283 ( -1.359 0.000 -0.211) 1.375 2.283 ( 1.359 0.000 -0.211) 1.375 2.450 ( -2.232 0.000 0.063) 2.232 2.450 ( 2.232 0.000 0.063) 2.232 2.581 ( -7.479 0.000 -3.522) 8.267 2.581 ( 7.479 0.000 -3.522) 8.267 2.721 ( -0.000 0.000 1.629) 1.629 2.721 ( 0.000 0.000 1.629) 1.629 2.915 ( -4.428 0.000 0.003) 4.428 2.915 ( 4.428 0.000 0.003) 4.428 3.155 ( -2.583 0.000 7.867) 8.280 3.155 ( 2.583 0.000 7.867) 8.280 3.196 ( -4.739 0.000 4.131) 6.286 3.196 ( 4.739 0.000 4.131) 6.286 3.524 ( -7.599 0.000 -3.055) 8.190 3.524 ( 7.599 0.000 -3.055) 8.190 3.685 ( -0.058 0.000 -4.380) 4.380 3.685 ( 0.058 0.000 -4.380) 4.380 3.723 ( -3.902 0.000 -1.133) 4.064 3.723 ( 3.902 0.000 -1.133) 4.064 3.868 ( -5.190 0.000 -5.409) 7.496 3.868 ( 5.190 0.000 -5.409) 7.496 3.974 ( -4.279 0.000 -1.049) 4.406 3.974 ( 4.279 0.000 -1.049) 4.406 4.109 ( -1.650 0.000 -3.665) 4.019 4.109 ( 1.650 0.000 -3.665) 4.019 4.285 ( -0.297 0.000 -1.224) 1.259 4.285 ( 0.297 0.000 -1.224) 1.259 4.470 ( -3.992 0.000 -3.701) 5.443 4.470 ( 3.992 0.000 -3.701) 5.443 4.543 ( -0.923 0.000 1.359) 1.642 4.543 ( 0.923 0.000 1.359) 1.642 4.571 ( -3.037 0.000 1.498) 3.386 4.571 ( 3.037 0.000 1.498) 3.386 4.729 ( -2.046 0.000 -5.338) 5.717 4.729 ( 2.046 0.000 -5.338) 5.717 4.884 ( -0.006 0.000 -2.049) 2.049 4.884 ( 0.006 0.000 -2.049) 2.049 5.111 ( -3.390 0.000 0.534) 3.432 5.111 ( 3.390 0.000 0.534) 3.432 5.221 ( -3.303 0.000 1.444) 3.605 5.221 ( 3.303 0.000 1.444) 3.605 5.343 ( -2.581 0.000 1.517) 2.994 5.343 ( 2.581 0.000 1.517) 2.994 5.401 ( -0.057 0.000 1.048) 1.049 5.401 ( 0.057 0.000 1.048) 1.049 5.586 ( -0.507 0.000 3.461) 3.498 5.586 ( 0.507 0.000 3.461) 3.498 5.693 ( -0.653 0.000 -1.130) 1.305 5.693 ( 0.653 0.000 -1.130) 1.305 5.775 ( -0.124 0.000 -4.185) 4.186 5.775 ( 0.124 0.000 -4.185) 4.186 5.928 ( -0.443 0.000 3.271) 3.301 5.928 ( 0.443 0.000 3.271) 3.301 6.035 ( -0.810 0.000 -1.016) 1.300 6.035 ( 0.810 0.000 -1.016) 1.300 6.170 ( -0.071 0.000 -2.736) 2.737 6.170 ( 0.071 0.000 -2.736) 2.737 6.329 ( -0.079 0.000 2.241) 2.243 6.329 ( 0.079 0.000 2.241) 2.243 6.429 ( -1.781 0.000 -1.634) 2.417 6.429 ( 1.781 0.000 -1.634) 2.417 6.733 ( -2.778 0.000 5.036) 5.752 6.733 ( 2.778 0.000 5.036) 5.752 6.802 ( -1.763 0.000 -5.592) 5.863 6.802 ( 1.763 0.000 -5.592) 5.863 6.880 ( -3.095 0.000 2.087) 3.733 6.880 ( 3.095 0.000 2.087) 3.733 7.051 ( -4.784 0.000 -0.324) 4.795 7.051 ( 4.784 0.000 -0.324) 4.795 7.355 ( -1.919 0.000 -3.711) 4.178 7.355 ( 1.919 0.000 -3.711) 4.178 7.778 ( -0.875 0.000 -1.131) 1.430 7.778 ( 0.875 0.000 -1.131) 1.430 7.867 ( -1.829 0.000 -1.710) 2.504 7.867 ( 1.829 0.000 -1.710) 2.504 8.111 ( -1.472 0.000 8.970) 9.090 8.111 ( 1.472 0.000 8.970) 9.090 8.424 ( -0.032 0.000 0.089) 0.094 8.424 ( 0.032 0.000 0.089) 0.094 8.483 ( -4.562 0.000 0.992) 4.669 8.483 ( 4.562 0.000 0.992) 4.669 8.873 ( -3.713 0.000 2.177) 4.304 8.873 ( 3.713 0.000 2.177) 4.304 8.945 ( -4.389 0.000 -7.006) 8.267 8.945 ( 4.389 0.000 -7.006) 8.267 9.061 ( -3.550 0.000 6.085) 7.045 9.061 ( 3.550 0.000 6.085) 7.045 9.371 ( -0.591 0.000 3.357) 3.409 9.371 ( 0.591 0.000 3.357) 3.409 9.484 ( -5.759 0.000 4.950) 7.594 9.484 ( 5.759 0.000 4.950) 7.594 9.940 ( -7.328 0.000 2.237) 7.662 9.940 ( 7.328 0.000 2.237) 7.662 10.229 ( -7.382 0.000 -0.431) 7.395 10.229 ( 7.382 0.000 -0.431) 7.395 10.621 ( -2.925 0.000 6.126) 6.788 10.621 ( 2.925 0.000 6.126) 6.788 11.026 ( -7.073 0.000 -4.506) 8.386 11.026 ( 7.073 0.000 -4.506) 8.386 12.127 ( -0.080 0.000 2.813) 2.814 12.127 ( 0.080 0.000 2.813) 2.814 12.358 ( -0.675 0.000 -3.166) 3.237 12.358 ( 0.675 0.000 -3.166) 3.237 13.020 ( -0.046 0.000 4.349) 4.349 13.020 ( 0.046 0.000 4.349) 4.349 13.314 ( -1.599 0.000 -3.173) 3.553 13.314 ( 1.599 0.000 -3.173) 3.553 13.439 ( -0.003 0.000 0.674) 0.674 13.439 ( 0.003 0.000 0.674) 0.674 13.550 ( -0.495 0.000 -2.837) 2.880 13.550 ( 0.495 0.000 -2.837) 2.880 13.733 ( -12.085 0.000 4.046) 12.745 13.733 ( 12.085 0.000 4.046) 12.745 13.939 ( -7.425 0.000 -0.865) 7.476 13.939 ( 7.425 0.000 -0.865) 7.476 14.203 ( -0.173 0.000 0.151) 0.230 14.203 ( 0.173 0.000 0.151) 0.230 14.310 ( -0.015 0.000 -1.511) 1.511 14.310 ( 0.015 0.000 -1.511) 1.511 14.615 ( -0.068 0.000 0.974) 0.976 14.615 ( 0.068 0.000 0.974) 0.976 14.728 ( -0.221 0.000 -1.845) 1.858 14.728 ( 0.221 0.000 -1.845) 1.858 14.852 ( -0.030 0.000 2.290) 2.290 14.852 ( 0.030 0.000 2.290) 2.290 15.033 ( -0.846 0.000 2.933) 3.053 15.033 ( 0.846 0.000 2.933) 3.053 15.153 ( -0.364 0.000 -0.755) 0.838 15.153 ( 0.364 0.000 -0.755) 0.838 15.568 ( -0.561 0.000 -6.380) 6.404 15.568 ( 0.561 0.000 -6.380) 6.404 15.775 ( -7.021 0.000 0.179) 7.024 15.775 ( 7.021 0.000 0.179) 7.024 15.933 ( -2.623 0.000 -7.338) 7.793 15.933 ( 2.623 0.000 -7.338) 7.793 16.431 ( -1.643 0.000 4.101) 4.418 16.431 ( 1.643 0.000 4.101) 4.418 16.890 ( -5.509 0.000 -12.043) 13.243 16.890 ( 5.509 0.000 -12.043) 13.243 18.736 ( -2.751 0.000 8.666) 9.092 18.736 ( 2.751 0.000 8.666) 9.092 19.264 ( -0.220 0.000 0.605) 0.644 19.264 ( 0.220 0.000 0.605) 0.644 20.618 ( -3.506 0.000 -1.080) 3.669 20.618 ( 3.506 0.000 -1.080) 3.669 20.937 ( -0.361 0.000 -4.464) 4.478 20.937 ( 0.361 0.000 -4.464) 4.478 21.050 ( -4.306 0.000 6.031) 7.410 21.050 ( 4.306 0.000 6.031) 7.410 21.440 ( -1.443 0.000 -3.959) 4.214 21.440 ( 1.443 0.000 -3.959) 4.214 21.798 ( -0.013 0.000 3.125) 3.125 21.798 ( 0.013 0.000 3.125) 3.125 21.911 ( -1.486 0.000 0.653) 1.623 21.911 ( 1.486 0.000 0.653) 1.623 22.097 ( -0.002 0.000 4.839) 4.839 22.097 ( 0.002 0.000 4.839) 4.839 22.273 ( -3.397 0.000 0.709) 3.470 22.273 ( 3.397 0.000 0.709) 3.470 23.426 ( -0.014 0.000 0.358) 0.358 23.426 ( 0.014 0.000 0.358) 0.358 23.484 ( -0.095 0.000 -0.296) 0.311 23.484 ( 0.095 0.000 -0.296) 0.311 23.721 ( -0.134 0.000 -0.555) 0.571 23.721 ( 0.134 0.000 -0.555) 0.571 23.797 ( -0.040 0.000 -1.039) 1.040 23.797 ( 0.040 0.000 -1.039) 1.040 24.122 ( -1.994 0.000 1.668) 2.600 24.122 ( 1.994 0.000 1.668) 2.600 24.409 ( -0.093 0.000 -7.720) 7.721 24.409 ( 0.093 0.000 -7.720) 7.721 24.894 ( -0.180 0.000 4.881) 4.884 24.894 ( 0.180 0.000 4.881) 4.884 25.006 ( -0.058 0.000 0.840) 0.842 25.006 ( 0.058 0.000 0.840) 0.842 25.907 ( -2.036 0.000 1.440) 2.494 25.907 ( 2.036 0.000 1.440) 2.494 26.020 ( -0.102 0.000 -1.605) 1.608 26.020 ( 0.102 0.000 -1.605) 1.608 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 15.816 21.058) 26.336 0.935 ( 0.000 26.213 18.727) 32.215 1.242 ( 0.000 16.731 16.679) 23.624 1.446 ( 0.000 7.516 13.059) 15.067 1.601 ( 0.000 -1.257 -1.396) 1.878 1.646 ( 0.000 9.693 -0.562) 9.710 1.770 ( 0.000 8.550 2.753) 8.982 1.819 ( 0.000 10.590 6.224) 12.284 1.847 ( 0.000 0.478 -1.753) 1.817 1.912 ( 0.000 6.330 2.209) 6.704 2.047 ( 0.000 8.086 8.695) 11.873 2.132 ( 0.000 2.379 -2.968) 3.804 2.215 ( 0.000 7.372 -5.536) 9.219 2.271 ( 0.000 4.041 5.568) 6.880 2.418 ( 0.000 -7.285 1.261) 7.394 2.536 ( 0.000 1.586 4.187) 4.477 2.554 ( 0.000 -4.644 -1.222) 4.802 2.651 ( 0.000 -5.241 -5.999) 7.966 2.710 ( 0.000 -0.770 2.753) 2.859 2.806 ( 0.000 -0.477 1.553) 1.625 2.816 ( 0.000 -1.952 3.397) 3.918 2.895 ( 0.000 -5.117 1.614) 5.366 3.032 ( 0.000 -5.042 5.019) 7.114 3.180 ( 0.000 -1.879 -0.269) 1.898 3.241 ( 0.000 -1.757 3.285) 3.726 3.347 ( 0.000 3.213 -1.262) 3.452 3.388 ( 0.000 -8.017 2.281) 8.335 3.446 ( 0.000 -3.571 3.478) 4.985 3.519 ( 0.000 -3.923 4.361) 5.866 3.702 ( 0.000 -7.142 -3.881) 8.128 3.714 ( 0.000 0.475 -6.183) 6.201 3.764 ( 0.000 -5.905 -3.334) 6.781 3.826 ( 0.000 -5.633 -1.577) 5.850 3.874 ( 0.000 4.025 -1.340) 4.242 3.901 ( 0.000 -5.959 -2.053) 6.303 4.098 ( 0.000 -3.893 -4.700) 6.103 4.158 ( 0.000 -1.465 -4.642) 4.868 4.215 ( 0.000 3.335 -4.620) 5.698 4.270 ( 0.000 0.790 -4.720) 4.786 4.291 ( 0.000 2.695 -0.691) 2.782 4.398 ( 0.000 3.232 0.193) 3.237 4.435 ( 0.000 2.400 -5.727) 6.210 4.468 ( 0.000 0.072 -6.210) 6.210 4.494 ( 0.000 0.263 1.832) 1.851 4.633 ( 0.000 0.837 -4.883) 4.954 4.702 ( 0.000 2.654 -1.744) 3.175 4.781 ( 0.000 -5.229 1.688) 5.494 4.867 ( 0.000 1.542 -3.442) 3.772 4.890 ( 0.000 1.654 4.612) 4.900 4.949 ( 0.000 -6.006 -0.025) 6.006 4.968 ( 0.000 6.273 -2.159) 6.634 5.093 ( 0.000 6.611 4.389) 7.936 5.144 ( 0.000 -0.863 1.868) 2.058 5.214 ( 0.000 -1.813 1.172) 2.159 5.333 ( 0.000 0.904 1.711) 1.936 5.385 ( 0.000 1.757 0.109) 1.761 5.409 ( 0.000 1.968 -0.865) 2.149 5.498 ( 0.000 -1.360 1.690) 2.169 5.562 ( 0.000 5.646 1.856) 5.943 5.606 ( 0.000 -3.777 -0.976) 3.901 5.702 ( 0.000 -0.485 -0.343) 0.594 5.713 ( 0.000 -3.725 -0.521) 3.761 5.809 ( 0.000 -0.189 2.400) 2.408 5.836 ( 0.000 -0.920 1.862) 2.077 5.967 ( 0.000 3.542 -5.145) 6.247 5.980 ( 0.000 -0.932 -2.655) 2.814 6.066 ( 0.000 2.065 0.177) 2.072 6.084 ( 0.000 3.303 -2.434) 4.103 6.126 ( 0.000 5.221 -3.933) 6.537 6.202 ( 0.000 3.235 -4.788) 5.778 6.208 ( 0.000 1.493 2.119) 2.592 6.307 ( 0.000 -4.518 3.251) 5.566 6.337 ( 0.000 -0.554 -0.806) 0.978 6.428 ( 0.000 1.065 -3.103) 3.281 6.574 ( 0.000 5.828 7.214) 9.274 6.674 ( 0.000 1.763 -1.472) 2.297 6.741 ( 0.000 0.456 5.793) 5.811 6.761 ( 0.000 0.179 5.723) 5.726 6.935 ( 0.000 -0.770 -0.833) 1.135 6.972 ( 0.000 7.291 3.862) 8.250 7.184 ( 0.000 9.086 5.619) 10.683 7.344 ( 0.000 -3.715 -10.471) 11.111 7.349 ( 0.000 5.514 -6.739) 8.707 7.645 ( 0.000 1.474 -4.763) 4.986 7.699 ( 0.000 -1.502 -3.888) 4.168 7.812 ( 0.000 -0.274 -2.428) 2.443 7.938 ( 0.000 -1.039 -3.311) 3.470 7.960 ( 0.000 1.716 -0.559) 1.805 8.000 ( 0.000 1.030 9.046) 9.104 8.189 ( 0.000 4.545 1.951) 4.946 8.272 ( 0.000 -5.053 3.315) 6.043 8.408 ( 0.000 -4.949 4.185) 6.482 8.468 ( 0.000 1.429 0.809) 1.642 8.655 ( 0.000 -5.914 4.272) 7.296 8.733 ( 0.000 3.090 0.221) 3.098 8.848 ( 0.000 0.254 -5.221) 5.227 8.929 ( 0.000 0.073 2.912) 2.913 9.012 ( 0.000 -1.608 2.646) 3.097 9.111 ( 0.000 3.609 -5.297) 6.409 9.117 ( 0.000 0.504 6.437) 6.457 9.247 ( 0.000 -1.245 1.301) 1.801 9.482 ( 0.000 -4.646 -1.311) 4.827 9.504 ( 0.000 3.710 -0.605) 3.759 9.649 ( 0.000 -2.475 -2.382) 3.435 9.702 ( 0.000 2.034 4.986) 5.385 9.895 ( 0.000 -0.895 2.040) 2.227 10.187 ( 0.000 -8.994 4.427) 10.025 10.296 ( 0.000 -13.973 13.377) 19.344 10.604 ( 0.000 -9.891 1.584) 10.017 10.652 ( 0.000 -8.301 -1.456) 8.428 10.831 ( 0.000 0.548 2.838) 2.891 11.134 ( 0.000 -4.711 -3.927) 6.133 12.086 ( 0.000 -0.974 2.090) 2.306 12.177 ( 0.000 3.136 3.071) 4.389 12.270 ( 0.000 -1.086 -3.681) 3.837 12.388 ( 0.000 0.998 -1.995) 2.230 13.031 ( 0.000 0.884 4.091) 4.185 13.134 ( 0.000 4.602 -1.407) 4.812 13.207 ( 0.000 -2.229 -2.299) 3.202 13.294 ( 0.000 2.290 -2.534) 3.416 13.380 ( 0.000 -4.165 1.575) 4.453 13.387 ( 0.000 -4.768 -0.246) 4.774 13.457 ( 0.000 -0.519 2.948) 2.993 13.543 ( 0.000 2.533 -0.107) 2.535 13.661 ( 0.000 -0.297 -0.319) 0.436 13.736 ( 0.000 0.631 -2.381) 2.463 14.034 ( 0.000 0.186 1.838) 1.848 14.075 ( 0.000 1.454 0.187) 1.466 14.224 ( 0.000 -6.391 0.449) 6.406 14.265 ( 0.000 -0.815 -0.404) 0.910 14.298 ( 0.000 -1.394 0.826) 1.620 14.332 ( 0.000 -0.953 -0.031) 0.954 14.523 ( 0.000 -7.360 0.899) 7.415 14.529 ( 0.000 -4.721 0.115) 4.722 14.698 ( 0.000 -6.756 2.213) 7.109 14.723 ( 0.000 -2.448 -2.387) 3.419 14.839 ( 0.000 3.438 -0.927) 3.561 14.875 ( 0.000 -2.345 -2.180) 3.202 14.991 ( 0.000 -0.237 2.573) 2.584 15.065 ( 0.000 -0.664 -1.402) 1.551 15.067 ( 0.000 4.604 0.953) 4.702 15.172 ( 0.000 -0.613 4.664) 4.704 15.175 ( 0.000 -1.079 -2.198) 2.449 15.516 ( 0.000 -5.166 -4.450) 6.819 15.573 ( 0.000 2.634 0.565) 2.694 15.627 ( 0.000 3.215 -0.018) 3.215 16.150 ( 0.000 11.291 -1.557) 11.398 16.316 ( 0.000 13.400 -11.030) 17.356 16.439 ( 0.000 12.713 -8.046) 15.045 16.587 ( 0.000 2.008 -2.284) 3.041 16.611 ( 0.000 7.980 2.989) 8.521 16.991 ( 0.000 -0.195 -6.137) 6.140 18.702 ( 0.000 3.150 8.752) 9.301 18.831 ( 0.000 2.661 8.051) 8.479 19.249 ( 0.000 -3.052 2.059) 3.681 19.341 ( 0.000 -4.248 -2.444) 4.901 20.535 ( 0.000 -0.622 -2.495) 2.572 20.752 ( 0.000 -1.028 -2.620) 2.815 20.801 ( 0.000 -3.887 -5.274) 6.551 20.898 ( 0.000 0.513 -0.605) 0.793 20.937 ( 0.000 2.178 3.010) 3.715 21.177 ( 0.000 -9.844 4.742) 10.927 21.274 ( 0.000 -5.150 2.426) 5.693 21.540 ( 0.000 -0.059 -1.404) 1.405 21.614 ( 0.000 -7.472 6.498) 9.902 21.755 ( 0.000 -7.247 0.150) 7.248 21.794 ( 0.000 -0.469 2.994) 3.030 21.936 ( 0.000 -0.744 -0.810) 1.100 22.036 ( 0.000 -5.032 3.004) 5.861 22.166 ( 0.000 -6.087 -1.450) 6.257 22.318 ( 0.000 -5.318 1.175) 5.447 22.394 ( 0.000 -5.983 -0.895) 6.049 22.904 ( 0.000 -11.604 13.618) 17.892 23.182 ( 0.000 -12.705 3.563) 13.195 23.314 ( 0.000 -8.832 -1.705) 8.995 23.366 ( 0.000 -7.359 -1.499) 7.510 23.866 ( 0.000 4.068 -0.588) 4.110 23.946 ( 0.000 1.908 -2.669) 3.281 23.958 ( 0.000 10.569 0.102) 10.569 24.017 ( 0.000 11.972 -3.418) 12.451 24.223 ( 0.000 8.436 0.459) 8.449 24.287 ( 0.000 7.375 0.402) 7.386 24.450 ( 0.000 5.441 -5.477) 7.720 24.530 ( 0.000 15.371 -11.054) 18.933 24.855 ( 0.000 -4.109 2.438) 4.778 24.937 ( 0.000 -3.059 -0.716) 3.141 25.095 ( 0.000 4.022 2.654) 4.819 25.135 ( 0.000 4.262 -0.705) 4.320 25.846 ( 0.000 0.423 1.087) 1.167 25.928 ( 0.000 0.182 -1.444) 1.456 26.031 ( 0.000 1.223 0.412) 1.291 26.042 ( 0.000 3.592 -1.832) 4.032 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 17.565 15.414 12.519) 26.512 1.089 ( 14.777 20.320 17.305) 30.507 1.371 ( 11.107 5.949 7.161) 14.493 1.506 ( 4.407 7.070 10.178) 13.153 1.595 ( -2.990 6.628 1.441) 7.413 1.685 ( 4.781 1.719 3.627) 6.243 1.739 ( -8.398 11.910 2.339) 14.760 1.794 ( -3.499 5.391 6.237) 8.955 1.851 ( 2.781 6.191 0.064) 6.787 1.929 ( 1.250 9.430 0.915) 9.556 2.081 ( 3.920 2.082 2.667) 5.178 2.169 ( 1.836 7.744 0.825) 8.001 2.249 ( 7.014 -0.042 0.077) 7.015 2.281 ( 1.879 4.694 2.412) 5.602 2.407 ( -2.594 -2.142 -0.038) 3.364 2.456 ( -1.391 -1.750 0.694) 2.341 2.557 ( -1.113 -2.848 1.609) 3.456 2.628 ( -3.461 -1.118 -2.204) 4.252 2.706 ( -1.117 -0.203 1.876) 2.192 2.747 ( -2.598 -4.530 1.845) 5.538 2.846 ( -0.141 -2.111 1.900) 2.844 2.913 ( 1.015 -2.098 0.722) 2.439 3.068 ( 2.884 -4.837 5.859) 8.127 3.133 ( -1.417 -2.119 1.764) 3.100 3.232 ( -3.247 -0.812 1.153) 3.540 3.344 ( -0.597 -1.615 3.524) 3.922 3.384 ( -2.873 1.642 3.894) 5.110 3.474 ( 4.837 -6.341 0.378) 7.984 3.524 ( 1.454 -8.479 2.492) 8.956 3.634 ( -4.593 -4.100 -4.956) 7.903 3.720 ( -1.123 -1.221 -4.084) 4.408 3.763 ( -2.012 -5.343 -1.731) 5.966 3.799 ( -1.138 -7.795 0.106) 7.878 3.860 ( -2.645 1.183 -4.324) 5.205 3.924 ( 2.530 -1.945 -3.126) 4.467 4.051 ( -5.047 -4.123 -7.382) 9.847 4.106 ( -1.442 0.310 -2.965) 3.311 4.214 ( -2.756 1.338 -6.173) 6.891 4.285 ( -0.485 1.676 -3.421) 3.840 4.294 ( 0.025 1.385 -3.780) 4.026 4.384 ( 2.669 2.573 -0.505) 3.741 4.452 ( 0.004 0.234 -1.447) 1.466 4.475 ( 3.624 -1.666 -1.899) 4.418 4.527 ( 2.602 3.128 1.247) 4.256 4.620 ( -1.546 0.373 -3.953) 4.261 4.683 ( 0.443 0.602 -0.249) 0.788 4.762 ( -4.681 0.594 -2.208) 5.210 4.819 ( -0.787 1.756 0.944) 2.143 4.868 ( -4.783 1.809 -1.096) 5.230 4.919 ( -1.222 0.304 -0.656) 1.420 5.009 ( 3.251 -1.154 -0.153) 3.453 5.131 ( 3.594 0.684 1.427) 3.927 5.167 ( -0.900 -0.814 2.191) 2.505 5.226 ( 1.725 0.773 1.055) 2.165 5.320 ( -0.777 0.631 -2.100) 2.327 5.378 ( -0.736 2.783 0.158) 2.883 5.416 ( 1.517 -1.191 2.056) 2.819 5.507 ( -3.189 1.775 2.044) 4.183 5.530 ( 1.637 0.461 0.510) 1.775 5.611 ( -1.968 0.761 0.951) 2.315 5.626 ( -4.762 -4.990 -2.809) 7.447 5.714 ( 3.274 -1.314 1.319) 3.766 5.792 ( -1.995 1.200 0.781) 2.456 5.856 ( -0.940 0.525 0.412) 1.153 5.944 ( -1.242 2.033 -1.869) 3.028 5.983 ( -0.893 2.498 0.665) 2.735 6.050 ( 0.376 2.788 -3.758) 4.695 6.094 ( -1.871 -0.463 -3.377) 3.888 6.137 ( 1.654 3.248 -2.517) 4.430 6.174 ( 0.758 2.957 -0.668) 3.124 6.270 ( 1.352 2.250 3.137) 4.091 6.295 ( 2.708 -2.726 -2.398) 4.529 6.435 ( 5.142 2.659 -3.460) 6.744 6.495 ( 4.037 -0.405 2.867) 4.968 6.597 ( 2.270 3.560 3.763) 5.655 6.678 ( 3.665 0.277 -2.238) 4.303 6.732 ( 1.246 -0.437 4.595) 4.781 6.861 ( 4.412 1.499 3.878) 6.063 6.933 ( 0.323 -0.636 0.525) 0.886 6.958 ( -1.959 6.088 3.892) 7.487 7.126 ( -5.678 7.451 0.593) 9.387 7.206 ( -5.116 6.185 -3.589) 8.792 7.380 ( -2.946 0.612 -5.729) 6.471 7.541 ( -7.348 4.298 -4.668) 9.709 7.682 ( -0.180 -5.451 -2.379) 5.950 7.811 ( -5.275 -0.319 -0.300) 5.293 7.892 ( 0.959 2.316 0.738) 2.612 7.952 ( -0.001 2.249 -4.216) 4.778 8.083 ( -0.400 -1.343 9.715) 9.815 8.121 ( 0.481 0.088 3.904) 3.934 8.322 ( 1.600 -2.673 1.963) 3.682 8.393 ( 2.907 0.887 2.440) 3.898 8.458 ( -0.301 -0.066 0.718) 0.781 8.650 ( -5.580 -1.264 1.928) 6.038 8.764 ( 4.712 1.813 -1.044) 5.155 8.878 ( 1.278 0.061 3.585) 3.807 8.896 ( 2.941 0.770 -3.077) 4.326 9.027 ( -2.282 -0.145 -3.736) 4.381 9.058 ( -2.490 1.774 1.857) 3.577 9.143 ( -0.512 0.996 1.790) 2.112 9.276 ( 3.494 -0.030 2.549) 4.325 9.408 ( -3.849 -2.094 2.330) 4.963 9.491 ( -1.491 2.824 0.740) 3.278 9.612 ( -3.604 -0.582 2.268) 4.298 9.790 ( 5.939 -0.077 0.078) 5.940 9.980 ( 6.717 -2.881 1.731) 7.511 10.091 ( -6.045 -4.037 7.214) 10.241 10.277 ( -0.164 -6.402 4.518) 7.837 10.536 ( -2.739 -8.804 3.603) 9.900 10.684 ( -4.573 -5.897 3.615) 8.292 10.838 ( 4.792 -3.019 -2.079) 6.033 11.085 ( -4.593 -4.902 -4.542) 8.109 12.093 ( 0.507 -1.158 1.545) 1.996 12.172 ( -0.252 2.803 3.825) 4.749 12.292 ( 1.735 -1.372 -4.213) 4.758 12.398 ( 0.939 1.751 -1.559) 2.526 13.038 ( 0.469 1.365 4.214) 4.454 13.079 ( -2.122 4.726 2.083) 5.584 13.248 ( 3.147 -2.395 -2.679) 4.777 13.328 ( 0.503 -1.002 -1.764) 2.091 13.370 ( -0.308 -4.119 -0.307) 4.142 13.432 ( 2.981 -3.285 -1.143) 4.581 13.451 ( 0.362 -1.556 1.544) 2.222 13.569 ( 2.205 2.364 -0.563) 3.281 13.637 ( -0.314 0.716 1.073) 1.327 13.796 ( 5.230 -0.155 -1.509) 5.446 13.984 ( -8.920 1.784 1.249) 9.182 14.029 ( -1.951 -0.380 1.199) 2.322 14.201 ( -2.299 -3.154 -0.695) 3.964 14.243 ( -2.309 -0.397 0.364) 2.371 14.302 ( -0.700 -1.661 -1.257) 2.197 14.316 ( -0.262 -0.641 -0.451) 0.826 14.519 ( -0.063 -6.104 0.704) 6.145 14.553 ( 2.365 -7.783 0.670) 8.162 14.639 ( -2.486 -5.239 1.922) 6.109 14.715 ( -2.434 -4.781 -1.288) 5.518 14.843 ( 0.111 1.388 -2.462) 2.829 14.876 ( 1.640 -1.022 0.020) 1.932 14.990 ( -1.457 0.946 1.886) 2.564 15.027 ( -0.043 -1.439 -0.320) 1.475 15.117 ( 1.737 -0.137 0.295) 1.767 15.178 ( 0.823 1.018 3.705) 3.930 15.340 ( 7.787 -7.872 -4.719) 12.037 15.499 ( 0.682 -6.413 -2.832) 7.043 15.665 ( 5.981 2.352 1.133) 6.526 15.714 ( 8.269 3.978 -0.745) 9.206 16.116 ( -3.150 10.495 -3.310) 11.447 16.222 ( -7.232 14.191 -9.348) 18.468 16.432 ( 1.157 6.718 -0.221) 6.820 16.588 ( -1.361 7.445 4.439) 8.774 16.743 ( 9.566 2.576 -11.889) 15.476 16.971 ( -2.118 -0.023 -7.091) 7.401 18.719 ( 1.728 3.044 8.662) 9.342 18.812 ( -1.896 2.677 8.194) 8.826 19.243 ( -0.412 -2.650 2.700) 3.806 19.295 ( -3.029 -1.526 -1.041) 3.547 20.555 ( 1.985 -0.678 -2.160) 3.011 20.695 ( -4.351 -0.731 -1.263) 4.589 20.831 ( 2.334 -4.265 -5.392) 7.260 20.947 ( 2.841 0.965 -1.702) 3.450 20.976 ( 3.499 0.477 1.641) 3.893 21.116 ( -4.448 -4.849 7.193) 9.749 21.296 ( 1.347 -7.157 -1.371) 7.410 21.506 ( -2.857 -1.132 -2.439) 3.924 21.623 ( 0.792 -8.606 3.263) 9.238 21.761 ( -0.505 -3.968 4.878) 6.308 21.827 ( 3.947 -3.908 -0.241) 5.560 21.947 ( 0.620 -1.410 -0.672) 1.680 22.055 ( 1.639 -3.553 2.610) 4.703 22.119 ( -5.516 -5.405 3.300) 8.398 22.250 ( -3.756 -1.244 -0.036) 3.957 22.317 ( -4.223 -3.718 1.072) 5.727 22.995 ( 4.837 -15.872 5.072) 17.351 23.178 ( -0.056 -12.652 4.905) 13.569 23.325 ( 0.826 -9.250 -2.130) 9.528 23.364 ( -0.138 -7.354 -1.124) 7.441 23.888 ( 1.874 5.255 -0.713) 5.625 23.954 ( -0.204 8.428 0.191) 8.433 23.974 ( 2.239 3.744 -2.211) 4.891 24.026 ( 0.563 10.682 -3.244) 11.178 24.217 ( -0.372 10.864 0.351) 10.876 24.290 ( -0.313 12.307 0.392) 12.317 24.443 ( -0.719 6.595 -6.625) 9.376 24.525 ( -0.326 13.482 -9.263) 16.361 24.828 ( -1.758 -4.047 3.630) 5.714 24.938 ( 0.088 -2.628 -1.263) 2.917 25.019 ( -6.014 4.660 4.234) 8.707 25.091 ( -1.811 3.681 2.799) 4.967 25.867 ( 2.044 0.793 1.021) 2.418 25.947 ( 0.736 -0.025 -0.452) 0.864 26.011 ( -1.344 1.258 -0.626) 1.944 26.035 ( -0.566 1.169 -0.745) 1.498 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 13.560 6.703) 15.126 1.389 ( 0.000 16.394 8.944) 18.675 1.415 ( -0.000 10.985 11.011) 15.553 1.468 ( 0.000 10.322 10.688) 14.858 1.562 ( 0.000 1.921 2.119) 2.860 1.593 ( -0.000 4.862 4.545) 6.655 1.743 ( 0.000 5.544 -1.269) 5.688 1.775 ( 0.000 -0.280 -3.992) 4.002 1.922 ( 0.000 0.403 2.257) 2.292 2.023 ( -0.000 10.585 11.810) 15.859 2.053 ( 0.000 1.862 0.813) 2.031 2.155 ( 0.000 10.546 7.230) 12.787 2.288 ( 0.000 2.802 -0.534) 2.852 2.332 ( -0.000 1.165 -0.456) 1.251 2.475 ( -0.000 1.947 1.279) 2.329 2.479 ( 0.000 2.339 3.379) 4.109 2.537 ( 0.000 -2.224 -3.151) 3.857 2.594 ( 0.000 -0.651 -2.003) 2.106 2.641 ( -0.000 0.402 1.101) 1.172 2.719 ( 0.000 -6.715 3.260) 7.465 2.854 ( 0.000 1.146 2.032) 2.333 2.884 ( 0.000 -5.439 -1.666) 5.689 3.116 ( 0.000 -3.566 6.468) 7.386 3.160 ( 0.000 -1.509 0.543) 1.603 3.195 ( 0.000 -0.947 4.254) 4.358 3.214 ( 0.000 2.554 8.323) 8.706 3.447 ( -0.000 -6.686 -1.953) 6.965 3.484 ( 0.000 -3.924 -1.087) 4.071 3.573 ( 0.000 -9.815 -0.344) 9.821 3.591 ( -0.000 -7.632 6.524) 10.041 3.666 ( 0.000 -1.516 -5.901) 6.093 3.730 ( 0.000 -3.145 -6.004) 6.777 3.782 ( 0.000 -6.032 -1.460) 6.207 3.832 ( 0.000 -0.068 -2.448) 2.449 3.962 ( 0.000 1.042 -5.088) 5.193 3.981 ( 0.000 -4.470 -4.357) 6.242 4.095 ( 0.000 2.976 -4.475) 5.374 4.168 ( 0.000 0.812 -6.094) 6.148 4.289 ( -0.000 -0.501 -4.088) 4.119 4.291 ( 0.000 0.807 -3.261) 3.359 4.445 ( 0.000 -2.233 -0.638) 2.323 4.465 ( 0.000 2.576 -2.719) 3.745 4.519 ( 0.000 -1.604 -1.391) 2.123 4.566 ( 0.000 2.834 4.328) 5.173 4.610 ( 0.000 2.541 1.820) 3.126 4.633 ( -0.000 -0.261 -1.461) 1.484 4.752 ( -0.000 2.277 -3.555) 4.221 4.763 ( 0.000 0.172 -1.330) 1.341 4.853 ( 0.000 1.378 -1.349) 1.928 4.881 ( 0.000 0.561 -5.244) 5.274 5.085 ( -0.000 -3.615 -1.314) 3.847 5.086 ( 0.000 0.053 3.824) 3.824 5.201 ( 0.000 0.369 1.234) 1.288 5.234 ( 0.000 -0.978 2.080) 2.299 5.342 ( 0.000 1.047 -1.422) 1.766 5.354 ( -0.000 4.319 -1.712) 4.645 5.434 ( 0.000 0.185 -0.957) 0.975 5.471 ( 0.000 0.802 6.122) 6.174 5.555 ( 0.000 -7.366 -9.208) 11.792 5.565 ( 0.000 -0.135 4.770) 4.772 5.600 ( 0.000 1.451 3.208) 3.521 5.739 ( 0.000 -0.031 -0.958) 0.959 5.796 ( 0.000 -0.396 -1.229) 1.292 5.808 ( -0.000 3.310 2.434) 4.109 5.943 ( 0.000 2.870 0.817) 2.984 5.968 ( 0.000 4.723 1.317) 4.904 6.056 ( -0.000 -1.497 -4.684) 4.918 6.057 ( 0.000 3.204 -4.961) 5.906 6.169 ( 0.000 -1.026 -4.045) 4.173 6.185 ( 0.000 1.720 1.407) 2.223 6.273 ( 0.000 2.972 -1.019) 3.142 6.351 ( 0.000 0.028 1.642) 1.642 6.470 ( 0.000 4.878 2.156) 5.333 6.511 ( 0.000 1.892 2.492) 3.129 6.685 ( 0.000 -3.381 -1.181) 3.581 6.728 ( 0.000 -0.914 5.554) 5.628 6.779 ( 0.000 0.427 2.729) 2.763 6.853 ( 0.000 2.158 -8.098) 8.380 6.887 ( 0.000 0.586 1.838) 1.929 6.960 ( 0.000 5.789 2.453) 6.288 7.112 ( 0.000 9.741 -0.554) 9.756 7.145 ( 0.000 5.653 2.392) 6.139 7.325 ( 0.000 0.630 -1.079) 1.250 7.438 ( 0.000 4.664 -3.739) 5.977 7.717 ( -0.000 -5.829 -4.707) 7.492 7.721 ( 0.000 -0.074 -0.441) 0.447 7.918 ( 0.000 4.529 -1.675) 4.828 7.937 ( 0.000 2.384 0.847) 2.530 8.045 ( 0.000 -4.245 4.550) 6.223 8.154 ( 0.000 1.970 10.581) 10.763 8.354 ( 0.000 -4.370 -3.125) 5.373 8.439 ( 0.000 0.808 -0.080) 0.812 8.487 ( -0.000 2.387 1.784) 2.980 8.531 ( 0.000 1.064 4.013) 4.151 8.867 ( 0.000 -1.891 -1.336) 2.315 8.875 ( -0.000 1.563 0.035) 1.564 8.940 ( 0.000 -0.446 -6.097) 6.114 8.958 ( 0.000 2.103 -3.032) 3.690 9.065 ( 0.000 0.868 1.280) 1.547 9.109 ( 0.000 3.457 5.544) 6.534 9.319 ( 0.000 -2.121 2.123) 3.001 9.365 ( 0.000 -1.983 3.245) 3.803 9.519 ( 0.000 4.368 3.859) 5.829 9.527 ( -0.000 1.581 3.017) 3.406 9.883 ( -0.000 -3.765 0.836) 3.856 9.950 ( 0.000 -0.857 5.096) 5.167 10.131 ( 0.000 -6.011 -3.009) 6.722 10.277 ( 0.000 -0.001 0.972) 0.972 10.535 ( 0.000 -7.259 6.826) 9.964 10.566 ( 0.000 -5.336 6.353) 8.296 10.964 ( 0.000 -5.610 -4.708) 7.324 10.975 ( -0.000 -5.168 -4.337) 6.747 12.098 ( 0.000 -1.220 1.055) 1.613 12.170 ( 0.000 2.668 4.600) 5.318 12.313 ( 0.000 -2.047 -5.057) 5.456 12.410 ( 0.000 2.625 -1.069) 2.834 13.041 ( 0.000 2.384 3.661) 4.369 13.065 ( 0.000 3.119 4.051) 5.113 13.288 ( 0.000 -2.420 -2.506) 3.484 13.321 ( 0.000 -2.067 -1.021) 2.305 13.370 ( 0.000 -3.571 -1.073) 3.729 13.436 ( 0.000 -1.423 2.388) 2.780 13.490 ( 0.000 -3.912 -5.092) 6.421 13.575 ( 0.000 0.868 -1.638) 1.854 13.753 ( 0.000 1.926 3.612) 4.093 13.754 ( -0.000 1.585 2.937) 3.337 13.929 ( 0.000 -0.890 -1.097) 1.413 13.945 ( -0.000 0.542 -0.644) 0.841 14.188 ( 0.000 -1.034 -0.040) 1.034 14.199 ( -0.000 -0.547 0.751) 0.929 14.294 ( 0.000 -1.179 -1.848) 2.192 14.315 ( 0.000 -0.164 -0.930) 0.944 14.522 ( 0.000 -5.807 0.764) 5.857 14.571 ( 0.000 -6.131 2.576) 6.651 14.643 ( 0.000 -6.609 -1.415) 6.759 14.669 ( 0.000 -7.721 0.224) 7.724 14.836 ( 0.000 0.484 -2.889) 2.929 14.934 ( -0.000 2.278 2.111) 3.106 14.942 ( 0.000 -2.560 -1.982) 3.237 15.032 ( 0.000 -0.947 3.951) 4.063 15.130 ( 0.000 -0.701 0.625) 0.939 15.188 ( 0.000 2.464 1.846) 3.079 15.401 ( 0.000 -9.907 -5.107) 11.146 15.516 ( 0.000 -7.103 -2.097) 7.406 15.749 ( 0.000 1.570 1.155) 1.949 15.819 ( 0.000 5.243 3.192) 6.138 16.067 ( 0.000 10.125 -8.873) 13.463 16.133 ( 0.000 12.276 -5.855) 13.600 16.452 ( 0.000 5.237 0.605) 5.272 16.568 ( 0.000 8.703 4.517) 9.805 16.867 ( -0.000 -0.725 -11.502) 11.525 16.922 ( 0.000 1.240 -8.904) 8.990 18.757 ( -0.000 2.503 8.176) 8.551 18.772 ( 0.000 3.197 8.810) 9.372 19.241 ( 0.000 -1.504 1.582) 2.182 19.263 ( 0.000 -1.103 0.501) 1.211 20.599 ( 0.000 -1.221 -1.955) 2.305 20.625 ( 0.000 -0.009 -0.796) 0.796 20.862 ( 0.000 -4.607 -6.705) 8.135 20.971 ( 0.000 0.281 2.207) 2.225 21.030 ( 0.000 -1.030 -1.485) 1.808 21.056 ( 0.000 -0.372 7.523) 7.532 21.312 ( 0.000 -8.459 -3.173) 9.035 21.469 ( 0.000 -0.824 -2.387) 2.525 21.632 ( 0.000 -9.212 -0.767) 9.244 21.755 ( 0.000 -4.545 8.253) 9.422 21.886 ( 0.000 -4.565 -5.892) 7.454 21.955 ( 0.000 -1.637 3.012) 3.428 22.028 ( 0.000 -2.890 6.478) 7.093 22.079 ( 0.000 -1.703 2.752) 3.237 22.241 ( -0.000 -3.010 -0.539) 3.058 22.252 ( 0.000 -2.311 -0.173) 2.318 23.037 ( 0.000 -16.949 1.311) 16.999 23.180 ( 0.000 -12.728 6.120) 14.123 23.334 ( 0.000 -9.598 -2.746) 9.983 23.363 ( 0.000 -7.290 -0.561) 7.311 23.912 ( 0.000 6.950 -0.784) 6.994 23.949 ( 0.000 7.818 0.564) 7.838 24.012 ( 0.000 4.568 -2.819) 5.368 24.024 ( 0.000 6.707 -2.445) 7.139 24.217 ( 0.000 15.230 -0.396) 15.235 24.274 ( 0.000 18.753 1.327) 18.799 24.434 ( 0.000 5.282 -7.218) 8.944 24.522 ( 0.000 10.905 -7.291) 13.117 24.814 ( 0.000 -4.364 3.180) 5.400 24.941 ( 0.000 -2.441 -2.133) 3.241 24.955 ( 0.000 3.187 6.214) 6.984 25.071 ( 0.000 3.059 3.061) 4.327 25.902 ( -0.000 0.544 0.411) 0.682 25.939 ( 0.000 2.147 1.963) 2.909 26.002 ( 0.000 -1.036 -1.932) 2.192 26.027 ( 0.000 0.378 -0.558) 0.674 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 19.326 10.048) 21.782 1.249 ( 0.000 4.416 11.581) 12.394 1.439 ( 0.000 12.214 9.646) 15.563 1.547 ( 0.000 -4.461 2.690) 5.209 1.621 ( 0.000 -8.897 -1.436) 9.013 1.680 ( 0.000 4.200 4.318) 6.024 1.876 ( 0.000 0.629 4.209) 4.256 1.952 ( 0.000 3.331 8.290) 8.934 1.953 ( 0.000 3.013 0.100) 3.014 2.081 ( 0.000 10.229 8.629) 13.383 2.097 ( 0.000 -4.925 -1.973) 5.305 2.209 ( 0.000 -4.394 3.773) 5.791 2.220 ( 0.000 5.942 5.251) 7.929 2.353 ( 0.000 -4.252 -8.033) 9.089 2.373 ( 0.000 1.787 -2.744) 3.274 2.540 ( 0.000 4.884 4.648) 6.742 2.583 ( 0.000 1.412 3.024) 3.337 2.639 ( 0.000 4.981 3.690) 6.199 2.762 ( 0.000 1.306 -4.833) 5.006 2.776 ( 0.000 4.394 6.983) 8.251 2.797 ( 0.000 8.610 -0.666) 8.636 2.915 ( 0.000 2.789 1.101) 2.999 2.982 ( 0.000 0.958 2.868) 3.024 3.122 ( 0.000 -2.154 2.719) 3.469 3.186 ( 0.000 -3.026 5.529) 6.303 3.244 ( 0.000 -6.041 2.323) 6.472 3.369 ( 0.000 -0.300 -1.212) 1.249 3.406 ( 0.000 0.278 3.590) 3.601 3.445 ( 0.000 -2.207 5.687) 6.100 3.556 ( 0.000 -7.001 -0.836) 7.051 3.649 ( 0.000 -5.363 -5.449) 7.646 3.718 ( 0.000 -0.949 -2.865) 3.018 3.773 ( 0.000 -5.050 1.353) 5.228 3.850 ( 0.000 8.304 2.465) 8.663 3.872 ( 0.000 -2.915 -5.629) 6.339 4.022 ( 0.000 -3.987 -0.867) 4.080 4.167 ( 0.000 1.807 -5.992) 6.258 4.181 ( 0.000 -3.793 -10.057) 10.749 4.291 ( 0.000 -1.516 -0.611) 1.634 4.344 ( 0.000 3.794 -6.687) 7.688 4.445 ( 0.000 -0.184 -2.041) 2.049 4.508 ( 0.000 5.455 -0.253) 5.461 4.553 ( 0.000 8.821 -3.865) 9.630 4.567 ( 0.000 0.984 -4.277) 4.389 4.616 ( 0.000 1.865 -0.897) 2.070 4.713 ( 0.000 -0.581 1.113) 1.255 4.715 ( 0.000 0.065 1.345) 1.347 4.865 ( 0.000 -1.511 -1.734) 2.300 4.882 ( 0.000 0.149 -9.066) 9.067 4.945 ( 0.000 3.159 3.305) 4.572 5.045 ( 0.000 -1.022 0.476) 1.127 5.149 ( 0.000 -1.976 -3.055) 3.638 5.181 ( 0.000 2.398 0.496) 2.449 5.202 ( 0.000 2.357 0.601) 2.433 5.321 ( 0.000 -2.625 -0.770) 2.736 5.362 ( 0.000 -3.332 -0.365) 3.352 5.418 ( 0.000 -1.537 -1.591) 2.212 5.441 ( 0.000 -3.374 -0.023) 3.374 5.533 ( 0.000 -2.874 -3.258) 4.344 5.621 ( 0.000 -0.940 2.658) 2.820 5.727 ( 0.000 4.231 1.557) 4.508 5.741 ( 0.000 4.909 0.734) 4.963 5.800 ( 0.000 -0.966 5.873) 5.951 5.818 ( 0.000 2.599 -0.625) 2.673 5.981 ( 0.000 1.158 -4.029) 4.192 6.059 ( 0.000 2.113 -3.531) 4.115 6.071 ( 0.000 -1.117 -1.562) 1.920 6.118 ( 0.000 -3.454 0.329) 3.469 6.161 ( 0.000 1.779 -3.559) 3.978 6.249 ( 0.000 0.321 -5.544) 5.554 6.258 ( 0.000 5.016 4.621) 6.820 6.352 ( 0.000 7.561 -0.494) 7.578 6.376 ( 0.000 5.066 5.503) 7.480 6.479 ( 0.000 5.404 -1.771) 5.687 6.601 ( 0.000 -1.787 9.424) 9.592 6.653 ( 0.000 -3.953 -1.359) 4.180 6.744 ( 0.000 0.545 1.944) 2.019 6.807 ( 0.000 2.405 5.036) 5.580 6.966 ( 0.000 2.014 -0.861) 2.191 7.102 ( 0.000 6.257 1.925) 6.546 7.315 ( 0.000 -1.686 -5.521) 5.772 7.371 ( 0.000 -0.833 -0.652) 1.058 7.435 ( 0.000 13.143 4.471) 13.882 7.557 ( 0.000 -4.806 -0.997) 4.909 7.736 ( 0.000 4.911 -6.707) 8.313 7.841 ( 0.000 0.557 0.515) 0.759 7.977 ( 0.000 5.054 -6.216) 8.011 8.007 ( 0.000 2.341 2.713) 3.584 8.054 ( 0.000 3.711 8.476) 9.253 8.177 ( 0.000 -2.650 -0.169) 2.656 8.249 ( 0.000 1.440 2.839) 3.184 8.352 ( 0.000 -3.286 3.172) 4.567 8.517 ( 0.000 3.623 -0.643) 3.680 8.579 ( 0.000 -1.113 1.620) 1.966 8.819 ( 0.000 5.459 0.275) 5.466 8.837 ( 0.000 -1.570 -1.376) 2.088 8.944 ( 0.000 1.779 -0.694) 1.909 8.975 ( 0.000 -2.496 -5.597) 6.129 9.103 ( 0.000 -1.794 3.298) 3.754 9.161 ( 0.000 1.071 -6.531) 6.618 9.254 ( 0.000 2.194 4.353) 4.874 9.419 ( 0.000 -1.292 1.745) 2.171 9.554 ( 0.000 0.826 -3.585) 3.679 9.607 ( 0.000 -2.692 -4.397) 5.156 9.764 ( 0.000 3.697 2.500) 4.463 9.864 ( 0.000 -1.983 -0.060) 1.984 9.986 ( 0.000 -9.735 7.499) 12.288 10.128 ( 0.000 -5.804 10.005) 11.566 10.378 ( 0.000 -12.373 2.278) 12.581 10.442 ( 0.000 -12.397 -1.345) 12.469 10.825 ( 0.000 -0.986 1.897) 2.138 11.015 ( 0.000 -7.097 -2.678) 7.585 12.076 ( 0.000 0.024 0.326) 0.327 12.233 ( 0.000 -2.604 -4.756) 5.422 12.247 ( 0.000 3.793 3.662) 5.272 12.402 ( 0.000 -0.036 0.327) 0.329 13.037 ( 0.000 -0.503 2.118) 2.177 13.122 ( 0.000 -5.984 0.668) 6.021 13.159 ( 0.000 -2.883 0.659) 2.958 13.250 ( 0.000 -7.792 -1.090) 7.868 13.295 ( 0.000 -2.315 -1.448) 2.731 13.355 ( 0.000 2.181 -3.214) 3.885 13.465 ( 0.000 1.700 4.300) 4.624 13.591 ( 0.000 1.941 0.326) 1.968 13.670 ( 0.000 1.532 0.032) 1.533 13.742 ( 0.000 0.102 -1.463) 1.467 14.019 ( 0.000 -1.787 1.012) 2.054 14.085 ( 0.000 -0.849 -0.910) 1.245 14.139 ( 0.000 -1.265 1.722) 2.137 14.242 ( 0.000 -1.311 -0.285) 1.341 14.269 ( 0.000 -1.417 1.248) 1.888 14.327 ( 0.000 0.166 -1.243) 1.254 14.399 ( 0.000 -4.880 1.763) 5.189 14.457 ( 0.000 -3.338 0.701) 3.411 14.567 ( 0.000 -6.038 0.843) 6.097 14.585 ( 0.000 -8.221 -1.467) 8.351 14.869 ( 0.000 1.211 -2.518) 2.794 14.910 ( 0.000 2.537 -2.551) 3.598 14.985 ( 0.000 -0.271 0.933) 0.972 15.040 ( 0.000 -1.835 -1.687) 2.493 15.116 ( 0.000 -0.386 2.130) 2.164 15.144 ( 0.000 -0.973 0.130) 0.982 15.226 ( 0.000 5.120 2.455) 5.678 15.409 ( 0.000 -5.340 -1.097) 5.452 15.645 ( 0.000 4.321 1.727) 4.654 15.698 ( 0.000 3.617 1.567) 3.942 16.382 ( 0.000 11.463 -1.462) 11.556 16.484 ( 0.000 7.710 -3.411) 8.431 16.636 ( 0.000 6.308 -7.569) 9.853 16.641 ( 0.000 3.258 -1.994) 3.820 16.761 ( 0.000 6.001 0.029) 6.001 16.974 ( 0.000 -1.640 -3.941) 4.268 18.783 ( 0.000 4.894 8.244) 9.587 18.902 ( 0.000 4.581 7.252) 8.578 19.161 ( 0.000 -5.113 6.540) 8.301 19.281 ( 0.000 -2.876 -2.157) 3.595 20.531 ( 0.000 0.035 -3.961) 3.961 20.709 ( 0.000 -5.637 -5.412) 7.814 20.718 ( 0.000 -2.387 -3.041) 3.866 20.883 ( 0.000 -2.424 1.737) 2.982 20.990 ( 0.000 3.011 1.048) 3.188 21.058 ( 0.000 -3.173 0.182) 3.178 21.145 ( 0.000 -6.674 -3.835) 7.698 21.414 ( 0.000 -8.695 2.678) 9.098 21.553 ( 0.000 -2.116 1.441) 2.560 21.641 ( 0.000 -4.186 3.189) 5.262 21.763 ( 0.000 -2.563 5.625) 6.182 21.849 ( 0.000 -7.656 1.061) 7.729 21.970 ( 0.000 -1.596 0.468) 1.663 22.059 ( 0.000 -3.622 -0.566) 3.666 22.218 ( 0.000 -3.960 -0.187) 3.964 22.288 ( 0.000 -4.450 -2.383) 5.048 22.836 ( 0.000 0.680 2.378) 2.473 23.048 ( 0.000 -2.108 6.020) 6.378 23.166 ( 0.000 -6.497 -3.670) 7.461 23.250 ( 0.000 -4.812 -0.405) 4.829 23.878 ( 0.000 -1.544 -1.419) 2.097 23.898 ( 0.000 -3.554 -2.254) 4.209 24.087 ( 0.000 2.744 -0.040) 2.744 24.100 ( 0.000 0.257 -0.744) 0.787 24.424 ( 0.000 5.485 0.446) 5.503 24.481 ( 0.000 10.051 -2.306) 10.312 24.616 ( 0.000 9.153 -2.122) 9.396 24.703 ( 0.000 4.291 -2.829) 5.140 24.846 ( 0.000 4.675 0.509) 4.702 24.916 ( 0.000 1.798 -1.566) 2.384 25.177 ( 0.000 4.433 2.775) 5.230 25.211 ( 0.000 3.695 -0.138) 3.698 25.870 ( 0.000 1.729 0.144) 1.735 25.936 ( 0.000 0.554 -2.148) 2.219 26.060 ( 0.000 1.629 1.187) 2.015 26.088 ( 0.000 1.578 -0.439) 1.638 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 12.098 12.551 6.812) 18.716 1.324 ( 9.173 2.050 8.992) 13.008 1.492 ( 5.097 7.327 8.694) 12.459 1.574 ( 1.224 -0.930 0.151) 1.545 1.618 ( 2.443 -3.457 6.237) 7.538 1.741 ( -0.190 1.096 2.123) 2.396 1.823 ( -3.931 -1.562 5.884) 7.247 1.869 ( -3.096 1.104 -0.660) 3.352 2.005 ( -2.177 1.863 14.925) 15.197 2.089 ( 1.446 2.784 -5.421) 6.263 2.150 ( 2.603 3.592 3.426) 5.605 2.214 ( -0.502 1.374 -0.161) 1.472 2.297 ( 9.998 2.584 2.701) 10.674 2.325 ( 1.120 0.888 -3.958) 4.208 2.411 ( 4.389 0.619 4.080) 6.024 2.544 ( -0.400 2.010 2.718) 3.404 2.600 ( 1.465 2.573 1.564) 3.349 2.620 ( -1.410 9.820 4.169) 10.761 2.689 ( -3.719 2.502 1.344) 4.680 2.770 ( -0.865 0.979 0.422) 1.373 2.816 ( 0.536 6.670 0.131) 6.693 2.917 ( -1.997 1.824 0.639) 2.779 3.012 ( 2.755 -0.018 3.222) 4.239 3.104 ( 0.018 -0.161 3.605) 3.609 3.160 ( -0.472 -3.726 2.953) 4.778 3.315 ( 2.436 -5.275 6.291) 8.563 3.346 ( -2.960 -1.047 -3.166) 4.458 3.407 ( 1.370 -0.787 4.322) 4.602 3.437 ( -1.491 1.612 3.536) 4.162 3.550 ( -0.150 -5.159 0.352) 5.174 3.624 ( -3.117 -4.274 -2.495) 5.849 3.691 ( -3.895 -2.476 -2.038) 5.045 3.731 ( -3.895 -3.009 0.379) 4.937 3.836 ( 0.238 2.426 -2.205) 3.287 3.895 ( 1.593 -3.185 -5.772) 6.782 4.022 ( 0.296 0.869 -2.468) 2.633 4.122 ( -1.054 -0.889 -5.116) 5.298 4.173 ( -3.246 -0.365 -5.853) 6.703 4.270 ( -0.424 -1.401 -4.971) 5.182 4.354 ( -2.243 1.907 -5.373) 6.127 4.427 ( 0.926 -0.041 -1.462) 1.732 4.482 ( 0.589 2.321 -0.993) 2.592 4.528 ( -0.458 7.661 -3.105) 8.279 4.580 ( -1.817 -0.165 -2.818) 3.357 4.626 ( -0.364 -1.722 -0.787) 1.928 4.675 ( -1.644 1.514 2.384) 3.268 4.731 ( -0.483 2.366 -0.197) 2.423 4.830 ( -1.861 -1.442 -0.121) 2.357 4.898 ( 0.473 0.327 -4.638) 4.673 4.930 ( -2.958 1.400 -1.099) 3.452 5.040 ( -0.722 -0.894 0.548) 1.272 5.141 ( -0.198 0.347 1.188) 1.254 5.152 ( 1.847 0.196 -2.604) 3.199 5.250 ( 1.252 0.272 -1.022) 1.639 5.293 ( -2.274 -4.830 -2.879) 6.066 5.386 ( 1.860 -0.023 -0.138) 1.865 5.401 ( 2.678 -0.427 -0.953) 2.875 5.477 ( -1.203 -4.007 -3.538) 5.479 5.519 ( -0.066 -1.491 -1.654) 2.228 5.572 ( -6.328 2.676 0.906) 6.930 5.675 ( -0.743 0.618 2.140) 2.348 5.731 ( -1.180 3.133 2.240) 4.028 5.778 ( 1.301 0.515 2.034) 2.469 5.903 ( 0.807 2.334 1.981) 3.166 5.968 ( -1.582 -1.435 -3.072) 3.742 6.013 ( 1.252 2.840 -3.693) 4.824 6.078 ( -1.296 1.176 -3.838) 4.218 6.120 ( 1.469 0.591 0.021) 1.584 6.189 ( -0.706 4.906 -0.197) 4.960 6.242 ( 1.625 1.923 1.039) 2.724 6.308 ( 0.482 5.489 0.336) 5.521 6.380 ( 4.684 2.802 -0.647) 5.496 6.460 ( 5.530 2.517 1.870) 6.358 6.498 ( 2.831 1.482 3.817) 4.978 6.614 ( -1.978 -1.685 -0.424) 2.633 6.646 ( 3.337 -1.383 4.786) 5.996 6.763 ( 1.137 1.998 5.574) 6.030 6.837 ( 1.638 -1.730 -1.563) 2.850 6.965 ( 1.101 1.985 1.553) 2.750 7.095 ( -1.620 6.251 2.590) 6.958 7.256 ( -3.610 4.269 -4.952) 7.469 7.366 ( -3.381 0.875 -3.563) 4.989 7.408 ( -1.362 10.046 4.365) 11.037 7.572 ( 2.558 -4.522 -2.744) 5.875 7.634 ( -6.771 5.623 -1.614) 8.948 7.848 ( -2.570 2.569 -2.565) 4.448 7.908 ( -2.573 0.938 4.574) 5.332 8.018 ( -0.679 2.807 -4.135) 5.044 8.033 ( -4.390 -2.203 4.717) 6.810 8.158 ( 1.780 2.877 5.918) 6.817 8.272 ( 1.694 -1.797 -0.514) 2.522 8.407 ( 4.063 0.090 3.881) 5.619 8.503 ( 0.856 3.525 -0.125) 3.630 8.611 ( -1.069 -0.770 -1.588) 2.063 8.794 ( 0.903 -0.749 0.545) 1.294 8.873 ( 0.557 1.106 -4.097) 4.280 8.945 ( 2.367 3.366 0.063) 4.116 9.018 ( 0.456 0.138 -5.486) 5.506 9.104 ( -0.785 2.182 0.361) 2.347 9.138 ( 1.234 -1.453 0.137) 1.911 9.289 ( 1.283 1.401 1.156) 2.224 9.384 ( -2.685 0.068 2.757) 3.849 9.525 ( -1.081 -0.322 -3.045) 3.247 9.613 ( -0.305 0.571 -0.803) 1.031 9.775 ( 1.177 -1.695 1.500) 2.551 9.919 ( 2.351 -3.171 1.355) 4.174 9.977 ( 0.226 -7.147 4.091) 8.238 10.157 ( 2.681 -5.470 6.031) 8.572 10.329 ( -0.277 -10.748 5.289) 11.982 10.518 ( 2.163 -10.502 1.164) 10.786 10.786 ( -1.817 -2.142 -0.360) 2.831 10.962 ( -5.118 -7.185 -3.461) 9.476 12.077 ( 0.094 -0.500 -0.299) 0.590 12.227 ( -0.116 1.750 3.280) 3.720 12.265 ( 1.144 -0.471 -3.950) 4.140 12.426 ( 2.018 0.739 0.716) 2.265 13.051 ( 1.333 -0.717 2.499) 2.922 13.120 ( -1.926 -2.167 1.535) 3.281 13.162 ( 2.524 -5.425 0.122) 5.985 13.243 ( -0.977 -6.297 -1.001) 6.450 13.298 ( 0.259 -3.520 -1.935) 4.025 13.396 ( 3.127 0.508 -3.414) 4.657 13.450 ( -1.042 1.498 3.004) 3.515 13.602 ( -0.047 0.782 -0.185) 0.805 13.669 ( 2.365 2.830 1.413) 3.950 13.795 ( 4.694 0.069 -1.203) 4.847 13.987 ( -5.904 -1.151 0.816) 6.070 14.034 ( -3.501 0.639 0.303) 3.572 14.156 ( 0.762 -0.931 0.683) 1.383 14.233 ( -1.784 -0.518 0.353) 1.891 14.262 ( -0.156 -1.915 -1.323) 2.333 14.305 ( -0.827 -0.558 0.304) 1.042 14.405 ( 1.028 -5.725 1.557) 6.021 14.430 ( -1.185 -3.995 1.096) 4.308 14.517 ( -3.039 -6.693 0.154) 7.352 14.569 ( -3.169 -7.718 -0.358) 8.351 14.849 ( -1.221 0.712 -2.615) 2.972 14.917 ( 1.150 2.537 -1.986) 3.421 14.970 ( -0.706 -1.348 0.729) 1.687 15.034 ( -1.230 0.024 -2.728) 2.992 15.107 ( 0.185 -0.687 1.051) 1.269 15.181 ( 3.847 -2.074 1.187) 4.529 15.287 ( 0.861 2.251 1.892) 3.064 15.385 ( 0.257 -4.776 1.625) 5.051 15.716 ( 5.714 2.560 0.776) 6.309 15.811 ( 9.614 5.336 2.550) 11.287 16.326 ( -5.020 10.029 -4.023) 11.915 16.428 ( -5.903 8.687 -4.820) 11.556 16.572 ( -0.083 6.696 -2.458) 7.134 16.720 ( 1.119 5.464 2.549) 6.133 16.794 ( 4.074 2.346 -6.720) 8.201 16.958 ( -1.590 -1.362 -4.227) 4.717 18.798 ( 1.492 4.813 8.057) 9.503 18.884 ( -1.747 4.578 7.600) 9.043 19.173 ( 1.318 -4.153 5.233) 6.810 19.258 ( -2.112 -2.600 -0.857) 3.457 20.543 ( 1.351 -0.499 -3.390) 3.684 20.665 ( -3.499 -2.438 -1.869) 4.656 20.737 ( 1.789 -5.186 -6.339) 8.383 20.933 ( 3.581 -2.693 0.999) 4.591 20.982 ( -0.619 -0.076 -0.490) 0.793 21.049 ( -0.754 -1.786 2.335) 3.034 21.156 ( 0.763 -5.852 -2.948) 6.597 21.420 ( 0.581 -6.935 1.064) 7.040 21.518 ( -2.345 -2.458 -0.214) 3.404 21.670 ( 1.371 -4.988 4.253) 6.697 21.738 ( -1.360 -4.458 1.758) 4.982 21.845 ( -0.454 -7.903 2.910) 8.434 21.997 ( 1.998 -1.643 1.189) 2.847 22.058 ( 0.131 -1.218 0.877) 1.507 22.196 ( -1.946 -3.204 -2.008) 4.253 22.242 ( -3.449 -3.318 -1.461) 5.004 22.850 ( 0.839 -1.530 1.375) 2.222 23.042 ( -0.302 -2.488 6.810) 7.256 23.172 ( 0.417 -6.642 -3.880) 7.703 23.248 ( -0.104 -4.732 -0.117) 4.734 23.916 ( 3.407 -1.056 -1.243) 3.777 23.937 ( 3.591 -2.947 -1.586) 4.909 24.069 ( -1.862 1.964 -0.257) 2.718 24.082 ( -1.896 -0.348 -0.828) 2.098 24.449 ( 2.062 6.381 -0.618) 6.735 24.505 ( 2.451 9.527 -1.779) 9.997 24.612 ( -0.800 8.084 -2.519) 8.505 24.718 ( 1.154 1.989 -3.309) 4.030 24.829 ( -0.933 8.342 0.716) 8.425 24.930 ( 1.180 2.788 -2.530) 3.946 25.123 ( -5.656 5.784 2.427) 8.446 25.166 ( -2.806 4.074 2.695) 5.634 25.893 ( 2.159 1.789 0.056) 2.805 25.952 ( 1.435 0.448 -1.683) 2.257 26.042 ( -2.293 1.738 0.899) 3.014 26.058 ( -1.971 1.187 0.092) 2.303 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 3.648 3.140) 4.814 1.494 ( -0.000 -0.672 2.765) 2.846 1.503 ( 0.000 -1.342 0.763) 1.543 1.628 ( 0.000 1.791 6.019) 6.280 1.662 ( -0.000 4.074 5.762) 7.057 1.732 ( 0.000 1.978 4.010) 4.471 1.757 ( 0.000 -4.052 8.537) 9.450 1.765 ( -0.000 5.103 18.149) 18.853 2.020 ( 0.000 7.843 -1.224) 7.938 2.111 ( 0.000 0.924 -8.591) 8.641 2.123 ( -0.000 -1.671 0.665) 1.798 2.237 ( 0.000 1.188 1.948) 2.282 2.303 ( 0.000 0.805 0.139) 0.817 2.476 ( 0.000 -0.898 2.536) 2.690 2.481 ( -0.000 2.786 5.178) 5.880 2.559 ( 0.000 10.770 8.458) 13.694 2.608 ( 0.000 2.613 0.952) 2.781 2.609 ( -0.000 4.099 0.611) 4.144 2.695 ( -0.000 1.478 4.895) 5.113 2.757 ( -0.000 6.011 -3.135) 6.780 2.804 ( 0.000 6.741 1.791) 6.975 2.858 ( 0.000 -0.680 -1.410) 1.566 3.049 ( 0.000 -1.751 3.582) 3.987 3.112 ( 0.000 -1.981 2.132) 2.910 3.177 ( 0.000 1.383 4.429) 4.640 3.234 ( 0.000 -0.839 1.382) 1.617 3.389 ( -0.000 0.684 3.907) 3.966 3.391 ( 0.000 -3.140 3.450) 4.665 3.472 ( -0.000 -0.380 -0.890) 0.968 3.478 ( 0.000 -2.298 6.444) 6.841 3.594 ( 0.000 -6.469 -0.329) 6.477 3.627 ( 0.000 -4.098 -0.106) 4.100 3.679 ( 0.000 -2.223 -6.761) 7.117 3.878 ( -0.000 0.877 -4.390) 4.476 3.904 ( 0.000 -2.463 -7.493) 7.887 4.024 ( 0.000 4.891 1.583) 5.141 4.105 ( 0.000 -0.850 -3.760) 3.855 4.127 ( -0.000 -3.146 -4.670) 5.631 4.287 ( 0.000 1.459 -9.955) 10.062 4.314 ( 0.000 1.392 -5.355) 5.533 4.474 ( 0.000 0.639 -2.087) 2.183 4.493 ( 0.000 -4.329 -1.703) 4.652 4.528 ( 0.000 4.560 -1.104) 4.692 4.556 ( 0.000 -2.471 0.479) 2.517 4.582 ( 0.000 1.586 0.024) 1.586 4.660 ( 0.000 1.926 1.911) 2.713 4.714 ( 0.000 -2.817 -4.269) 5.114 4.809 ( 0.000 4.444 2.647) 5.173 4.883 ( 0.000 -0.319 0.418) 0.525 4.908 ( 0.000 -3.228 -4.645) 5.657 5.041 ( 0.000 3.054 -0.958) 3.200 5.136 ( 0.000 2.071 2.859) 3.530 5.199 ( 0.000 -1.766 -0.984) 2.021 5.216 ( 0.000 -0.831 2.225) 2.375 5.346 ( 0.000 -2.220 -4.830) 5.316 5.369 ( 0.000 -6.525 -12.653) 14.236 5.445 ( -0.000 1.824 -1.149) 2.156 5.457 ( 0.000 0.144 2.608) 2.612 5.467 ( -0.000 1.816 -1.180) 2.165 5.560 ( 0.000 0.088 -0.745) 0.750 5.629 ( -0.000 1.307 2.687) 2.988 5.739 ( 0.000 0.054 5.326) 5.326 5.796 ( 0.000 1.741 -4.326) 4.664 5.877 ( 0.000 1.219 3.879) 4.066 5.977 ( 0.000 -3.273 -1.646) 3.664 6.037 ( 0.000 1.339 -6.913) 7.041 6.056 ( 0.000 7.017 -0.545) 7.038 6.154 ( 0.000 1.858 -0.836) 2.037 6.158 ( -0.000 6.169 1.845) 6.439 6.276 ( 0.000 -0.011 -2.260) 2.260 6.288 ( -0.000 6.903 3.769) 7.865 6.479 ( 0.000 -3.340 2.167) 3.981 6.494 ( -0.000 8.143 -3.996) 9.070 6.512 ( 0.000 -0.091 6.099) 6.099 6.610 ( 0.000 -4.051 3.914) 5.633 6.698 ( 0.000 -1.461 3.859) 4.126 6.787 ( 0.000 0.199 3.921) 3.926 6.835 ( 0.000 0.240 -2.855) 2.865 7.002 ( 0.000 5.835 1.009) 5.922 7.052 ( -0.000 2.617 2.832) 3.856 7.251 ( 0.000 4.959 -1.472) 5.173 7.264 ( 0.000 3.187 -7.188) 7.863 7.425 ( 0.000 10.364 5.963) 11.957 7.521 ( 0.000 2.971 -4.903) 5.733 7.647 ( 0.000 0.102 1.781) 1.784 7.775 ( 0.000 4.546 -4.582) 6.454 7.905 ( 0.000 -6.376 7.660) 9.966 7.973 ( -0.000 0.852 -1.431) 1.665 8.004 ( 0.000 1.636 -1.046) 1.942 8.197 ( 0.000 2.947 10.656) 11.056 8.279 ( 0.000 -3.247 -4.057) 5.196 8.469 ( 0.000 1.055 2.376) 2.599 8.536 ( -0.000 1.606 2.214) 2.735 8.550 ( 0.000 3.407 -1.942) 3.922 8.804 ( 0.000 -3.709 -6.360) 7.363 8.922 ( 0.000 2.664 -0.261) 2.677 8.933 ( -0.000 -0.389 -2.229) 2.263 9.026 ( 0.000 4.074 -1.398) 4.307 9.087 ( 0.000 1.595 -1.797) 2.403 9.171 ( 0.000 2.260 -0.113) 2.263 9.296 ( 0.000 -0.387 0.251) 0.461 9.346 ( 0.000 0.514 4.614) 4.643 9.530 ( 0.000 -1.279 -2.277) 2.611 9.598 ( 0.000 3.123 0.920) 3.256 9.798 ( 0.000 -4.806 1.607) 5.067 9.913 ( 0.000 -2.681 7.829) 8.275 9.998 ( 0.000 -7.275 -3.834) 8.223 10.182 ( 0.000 -9.497 2.227) 9.755 10.412 ( -0.000 -4.578 6.733) 8.142 10.451 ( 0.000 -5.929 6.534) 8.823 10.835 ( -0.000 -6.839 -4.392) 8.128 10.850 ( 0.000 -6.883 -3.888) 7.905 12.078 ( 0.000 -0.971 -0.852) 1.292 12.228 ( 0.000 2.947 6.273) 6.931 12.278 ( 0.000 -1.535 -6.557) 6.734 12.451 ( 0.000 1.352 1.014) 1.689 13.081 ( -0.000 0.459 2.880) 2.916 13.084 ( 0.000 -2.403 2.293) 3.321 13.211 ( 0.000 -5.026 -1.302) 5.192 13.215 ( -0.000 -6.600 -0.221) 6.604 13.301 ( 0.000 -4.185 -2.348) 4.799 13.428 ( 0.000 1.503 4.437) 4.685 13.445 ( 0.000 -0.631 -6.595) 6.625 13.591 ( 0.000 0.790 0.299) 0.845 13.782 ( 0.000 1.292 1.251) 1.798 13.803 ( -0.000 3.137 2.940) 4.300 13.907 ( 0.000 -1.069 -1.802) 2.095 13.960 ( 0.000 0.931 0.257) 0.966 14.173 ( 0.000 -0.370 -0.083) 0.379 14.193 ( 0.000 0.123 1.274) 1.280 14.266 ( 0.000 -1.624 -1.726) 2.370 14.302 ( 0.000 -1.177 -0.264) 1.207 14.421 ( 0.000 -4.242 1.182) 4.403 14.440 ( 0.000 -6.264 1.758) 6.506 14.492 ( 0.000 -8.641 0.032) 8.641 14.500 ( 0.000 -7.197 0.175) 7.199 14.838 ( 0.000 0.528 -3.007) 3.053 14.942 ( -0.000 -0.290 1.615) 1.641 14.955 ( 0.000 1.529 -4.680) 4.923 15.018 ( 0.000 -0.820 0.478) 0.950 15.114 ( 0.000 -0.769 -0.110) 0.777 15.245 ( 0.000 -5.818 -2.599) 6.372 15.253 ( 0.000 3.008 4.336) 5.277 15.403 ( 0.000 -3.583 4.037) 5.398 15.790 ( 0.000 2.188 0.409) 2.225 15.941 ( 0.000 6.373 6.418) 9.044 16.248 ( 0.000 8.163 -9.528) 12.546 16.354 ( 0.000 10.081 -4.231) 10.933 16.579 ( 0.000 6.772 -1.492) 6.935 16.723 ( 0.000 6.774 4.020) 7.877 16.854 ( 0.000 -0.924 -8.278) 8.329 16.930 ( 0.000 -0.428 -4.180) 4.202 18.827 ( -0.000 4.470 7.300) 8.560 18.852 ( 0.000 4.896 8.497) 9.807 19.203 ( 0.000 -2.448 2.742) 3.676 19.219 ( -0.000 -3.308 1.594) 3.672 20.571 ( 0.000 -1.613 -3.408) 3.770 20.614 ( 0.000 -1.146 -0.913) 1.465 20.761 ( 0.000 -5.733 -7.433) 9.387 20.955 ( 0.000 -1.433 3.629) 3.902 20.997 ( 0.000 -2.956 -6.640) 7.268 21.036 ( 0.000 -1.548 6.179) 6.370 21.163 ( 0.000 -5.586 -1.145) 5.702 21.430 ( 0.000 -2.484 0.211) 2.493 21.490 ( 0.000 -5.508 -3.428) 6.488 21.673 ( 0.000 -3.716 7.811) 8.650 21.734 ( 0.000 -8.404 -4.252) 9.418 21.838 ( 0.000 -8.036 5.060) 9.496 22.016 ( 0.000 0.449 2.442) 2.482 22.066 ( 0.000 -0.208 1.855) 1.866 22.174 ( 0.000 -3.073 -3.434) 4.608 22.198 ( 0.000 -2.838 -1.294) 3.119 22.858 ( 0.000 -2.878 0.752) 2.975 23.040 ( 0.000 -2.957 7.467) 8.031 23.176 ( 0.000 -6.788 -4.159) 7.961 23.247 ( 0.000 -4.665 0.166) 4.668 23.966 ( 0.000 -0.308 -0.821) 0.876 24.003 ( -0.000 -0.965 0.584) 1.128 24.025 ( 0.000 -0.974 -2.123) 2.336 24.048 ( 0.000 -0.334 -0.984) 1.039 24.474 ( 0.000 8.271 -2.106) 8.535 24.552 ( 0.000 7.814 1.423) 7.943 24.586 ( 0.000 7.241 -5.420) 9.045 24.727 ( 0.000 -2.406 -2.301) 3.329 24.830 ( 0.000 15.083 -1.694) 15.178 24.948 ( 0.000 4.140 -4.096) 5.824 25.043 ( -0.000 6.139 5.742) 8.406 25.133 ( 0.000 3.561 3.739) 5.163 25.927 ( 0.000 1.877 -0.632) 1.981 25.984 ( 0.000 2.406 1.894) 3.062 25.989 ( -0.000 -0.249 -1.935) 1.951 26.038 ( 0.000 0.713 0.472) 0.855 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 -4.711 11.088) 12.047 1.266 ( 0.000 -9.951 7.447) 12.429 1.471 ( 0.000 3.041 1.737) 3.502 1.570 ( 0.000 7.381 2.000) 7.647 1.586 ( 0.000 -6.354 5.450) 8.371 1.651 ( 0.000 1.492 4.735) 4.965 1.825 ( 0.000 -8.978 0.509) 8.993 1.906 ( 0.000 2.746 7.395) 7.888 1.949 ( 0.000 1.859 4.222) 4.613 2.030 ( 0.000 -1.673 4.987) 5.260 2.125 ( 0.000 -4.033 -3.717) 5.485 2.214 ( 0.000 -2.822 0.233) 2.831 2.290 ( 0.000 5.143 5.870) 7.804 2.336 ( 0.000 6.740 -6.824) 9.592 2.469 ( 0.000 4.201 -4.150) 5.905 2.555 ( 0.000 -3.049 2.934) 4.231 2.651 ( 0.000 -4.171 5.972) 7.284 2.658 ( 0.000 1.642 5.521) 5.760 2.772 ( 0.000 6.092 -5.752) 8.378 2.815 ( 0.000 -0.393 5.129) 5.144 2.901 ( 0.000 -0.133 2.144) 2.148 2.985 ( 0.000 1.658 5.641) 5.879 3.014 ( 0.000 -0.510 7.948) 7.965 3.120 ( 0.000 -0.764 3.224) 3.313 3.192 ( 0.000 0.301 6.327) 6.334 3.194 ( 0.000 -1.407 2.583) 2.941 3.380 ( 0.000 -2.728 8.470) 8.898 3.430 ( 0.000 -0.120 7.624) 7.625 3.443 ( 0.000 5.347 0.481) 5.368 3.542 ( 0.000 7.801 -11.661) 14.030 3.595 ( 0.000 0.845 -5.444) 5.509 3.661 ( 0.000 -4.558 -3.382) 5.675 3.758 ( 0.000 4.204 0.222) 4.210 3.834 ( 0.000 -0.422 -5.900) 5.916 3.951 ( 0.000 -0.701 -1.377) 1.545 4.013 ( 0.000 3.912 -0.297) 3.923 4.192 ( 0.000 4.547 -8.054) 9.249 4.221 ( 0.000 2.933 -0.160) 2.937 4.297 ( 0.000 2.360 1.731) 2.927 4.370 ( 0.000 -1.953 -6.066) 6.372 4.442 ( 0.000 2.281 -6.042) 6.458 4.545 ( 0.000 -0.346 -0.085) 0.357 4.589 ( 0.000 0.181 -7.618) 7.620 4.617 ( 0.000 2.817 0.092) 2.818 4.675 ( 0.000 1.251 -4.044) 4.233 4.736 ( 0.000 0.526 -0.265) 0.589 4.796 ( 0.000 4.244 0.123) 4.246 4.866 ( 0.000 2.722 3.185) 4.190 4.891 ( 0.000 -2.265 -4.412) 4.959 4.979 ( 0.000 0.130 -3.369) 3.372 5.026 ( 0.000 4.549 1.948) 4.949 5.105 ( 0.000 -1.452 -1.797) 2.310 5.175 ( 0.000 -3.593 -2.960) 4.655 5.192 ( 0.000 -2.184 -3.249) 3.914 5.239 ( 0.000 -3.819 -4.606) 5.983 5.259 ( 0.000 -5.872 -0.728) 5.917 5.399 ( 0.000 -2.122 2.926) 3.614 5.434 ( 0.000 -3.294 1.618) 3.670 5.539 ( 0.000 7.926 -3.600) 8.705 5.601 ( 0.000 -0.001 0.517) 0.517 5.724 ( 0.000 -2.541 3.200) 4.086 5.812 ( 0.000 2.351 -3.264) 4.022 5.829 ( 0.000 1.611 0.742) 1.773 5.890 ( 0.000 0.705 -2.202) 2.312 5.989 ( 0.000 -5.316 -1.554) 5.539 6.010 ( 0.000 -0.955 -3.125) 3.268 6.072 ( 0.000 4.529 2.632) 5.238 6.100 ( 0.000 2.167 1.551) 2.665 6.218 ( 0.000 3.041 1.114) 3.239 6.236 ( 0.000 -0.883 -3.015) 3.141 6.396 ( 0.000 6.666 3.433) 7.498 6.423 ( 0.000 -0.574 4.429) 4.466 6.451 ( 0.000 1.854 1.574) 2.432 6.534 ( 0.000 -5.436 -4.196) 6.867 6.623 ( 0.000 5.298 5.399) 7.564 6.636 ( 0.000 4.645 6.266) 7.800 6.768 ( 0.000 0.838 -2.315) 2.462 6.837 ( 0.000 2.048 1.974) 2.844 6.945 ( 0.000 -1.586 1.203) 1.991 7.135 ( 0.000 -4.847 6.744) 8.305 7.270 ( 0.000 -0.332 -5.792) 5.802 7.377 ( 0.000 0.752 -2.655) 2.760 7.567 ( 0.000 4.856 -2.552) 5.486 7.612 ( 0.000 3.530 2.484) 4.316 7.853 ( 0.000 1.685 -2.475) 2.995 7.857 ( 0.000 7.359 0.318) 7.366 8.022 ( 0.000 0.122 5.014) 5.015 8.065 ( 0.000 1.448 -0.843) 1.676 8.117 ( 0.000 2.446 7.177) 7.583 8.167 ( 0.000 -2.556 -5.804) 6.342 8.261 ( 0.000 1.084 4.103) 4.244 8.285 ( 0.000 -0.378 1.017) 1.085 8.594 ( 0.000 3.750 -0.284) 3.761 8.609 ( 0.000 3.056 -1.392) 3.358 8.794 ( 0.000 -2.244 1.835) 2.899 8.879 ( 0.000 -4.086 -8.891) 9.785 8.943 ( 0.000 3.176 -2.019) 3.763 8.984 ( 0.000 1.520 -4.156) 4.425 9.093 ( 0.000 1.589 -0.543) 1.679 9.167 ( 0.000 -0.012 -2.742) 2.742 9.312 ( 0.000 3.206 4.564) 5.578 9.402 ( 0.000 -1.384 -1.321) 1.913 9.533 ( 0.000 -2.295 -4.941) 5.448 9.548 ( 0.000 -2.954 -1.937) 3.533 9.787 ( 0.000 -1.453 2.809) 3.162 9.821 ( 0.000 -2.333 -0.048) 2.333 9.906 ( 0.000 1.802 6.968) 7.197 10.031 ( 0.000 -4.357 6.709) 8.000 10.168 ( 0.000 -8.150 3.327) 8.803 10.215 ( 0.000 -9.844 0.942) 9.888 10.803 ( 0.000 -0.830 0.684) 1.075 10.884 ( 0.000 -5.745 -1.536) 5.947 12.087 ( 0.000 1.126 -1.889) 2.199 12.176 ( 0.000 -3.129 -4.762) 5.698 12.311 ( 0.000 2.598 3.554) 4.402 12.382 ( 0.000 -1.675 2.216) 2.778 13.007 ( 0.000 -2.574 -0.281) 2.589 13.010 ( 0.000 -4.654 2.052) 5.086 13.061 ( 0.000 -4.571 2.209) 5.077 13.096 ( 0.000 -6.668 -1.484) 6.831 13.309 ( 0.000 2.369 -3.132) 3.927 13.381 ( 0.000 0.128 -3.608) 3.610 13.517 ( 0.000 3.126 4.371) 5.374 13.598 ( 0.000 -0.896 1.076) 1.400 13.719 ( 0.000 2.800 0.080) 2.801 13.747 ( 0.000 0.490 -0.797) 0.936 13.994 ( 0.000 -0.488 0.517) 0.711 14.046 ( 0.000 -2.676 -0.676) 2.760 14.151 ( 0.000 1.791 0.864) 1.989 14.219 ( 0.000 -1.013 -0.437) 1.103 14.247 ( 0.000 -0.766 1.390) 1.587 14.296 ( 0.000 -3.145 -0.291) 3.159 14.357 ( 0.000 -0.517 -1.085) 1.202 14.382 ( 0.000 -3.624 -0.160) 3.628 14.483 ( 0.000 -2.061 3.179) 3.789 14.491 ( 0.000 -1.771 1.273) 2.181 14.897 ( 0.000 1.500 -2.328) 2.769 14.932 ( 0.000 0.061 -2.842) 2.843 14.978 ( 0.000 -0.385 -0.524) 0.651 15.002 ( 0.000 -1.816 -1.690) 2.481 15.109 ( 0.000 0.053 2.878) 2.878 15.135 ( 0.000 -0.404 1.282) 1.344 15.295 ( 0.000 1.875 -0.351) 1.908 15.331 ( 0.000 -2.391 -0.341) 2.415 15.725 ( 0.000 3.559 3.337) 4.878 15.755 ( 0.000 2.051 3.309) 3.893 16.570 ( 0.000 7.534 -2.555) 7.956 16.618 ( 0.000 5.526 -4.389) 7.056 16.701 ( 0.000 2.585 -2.024) 3.283 16.710 ( 0.000 1.743 -4.849) 5.153 16.840 ( 0.000 2.535 2.579) 3.617 16.929 ( 0.000 -2.788 -0.962) 2.949 18.881 ( 0.000 5.024 7.264) 8.832 19.003 ( 0.000 5.588 5.938) 8.154 19.065 ( 0.000 -4.740 6.088) 7.716 19.211 ( 0.000 -4.408 1.208) 4.570 20.530 ( 0.000 -0.203 -4.430) 4.435 20.598 ( 0.000 -5.050 -4.566) 6.808 20.678 ( 0.000 -0.862 -3.383) 3.492 20.798 ( 0.000 -5.577 -1.158) 5.696 21.027 ( 0.000 -0.477 -4.208) 4.235 21.038 ( 0.000 0.417 -5.853) 5.868 21.078 ( 0.000 1.185 1.441) 1.866 21.259 ( 0.000 -6.913 2.374) 7.309 21.519 ( 0.000 -0.895 0.658) 1.111 21.578 ( 0.000 -2.916 1.938) 3.501 21.711 ( 0.000 -2.335 7.417) 7.776 21.716 ( 0.000 -4.499 4.899) 6.652 21.964 ( 0.000 0.606 -0.164) 0.628 22.012 ( 0.000 -1.768 0.000) 1.768 22.173 ( 0.000 -0.860 -1.294) 1.554 22.219 ( 0.000 -2.804 -2.886) 4.024 22.877 ( 0.000 3.195 -1.654) 3.598 23.051 ( 0.000 -5.456 -4.114) 6.833 23.055 ( 0.000 1.991 5.221) 5.588 23.170 ( 0.000 -3.600 1.427) 3.873 23.840 ( 0.000 -2.065 -2.226) 3.036 23.841 ( 0.000 -1.753 -2.044) 2.693 24.097 ( 0.000 -0.260 -0.181) 0.317 24.103 ( 0.000 -0.233 -0.219) 0.320 24.498 ( 0.000 2.520 0.375) 2.548 24.555 ( 0.000 0.024 -1.279) 1.279 24.715 ( 0.000 1.560 -1.606) 2.239 24.733 ( 0.000 -0.043 -1.949) 1.949 25.006 ( 0.000 8.138 0.967) 8.195 25.015 ( 0.000 6.478 -0.120) 6.480 25.255 ( 0.000 3.153 1.844) 3.653 25.271 ( 0.000 2.230 0.330) 2.254 25.905 ( 0.000 1.708 -0.455) 1.767 25.944 ( 0.000 0.039 -1.925) 1.925 26.091 ( 0.000 1.408 1.229) 1.869 26.110 ( 0.000 0.654 0.355) 0.744 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 2.870 -7.185 8.803) 11.720 1.337 ( 5.467 -8.026 5.451) 11.136 1.481 ( -1.705 -5.341 -2.215) 6.028 1.564 ( 2.100 -1.323 4.680) 5.298 1.591 ( 0.259 -0.423 3.772) 3.805 1.694 ( 1.391 -3.920 5.773) 7.115 1.790 ( -2.416 1.651 0.856) 3.049 1.930 ( -0.793 5.917 7.026) 9.220 1.997 ( 5.386 -1.464 7.544) 9.384 2.074 ( 0.829 -0.838 5.730) 5.850 2.145 ( 5.419 1.715 3.370) 6.608 2.273 ( 1.899 3.640 0.615) 4.151 2.326 ( 5.387 -3.420 0.864) 6.439 2.393 ( 3.096 5.791 -2.902) 7.179 2.467 ( 5.577 4.659 -2.342) 7.635 2.558 ( -0.461 -0.653 2.340) 2.473 2.631 ( -2.222 1.688 4.250) 5.084 2.663 ( 0.970 -1.668 5.535) 5.862 2.737 ( -1.016 -0.090 -1.492) 1.808 2.817 ( -1.857 0.633 -0.306) 1.985 2.880 ( -1.921 0.757 5.022) 5.430 2.943 ( -1.602 1.001 1.764) 2.585 3.044 ( 1.112 -0.387 3.939) 4.111 3.119 ( -1.658 0.352 3.140) 3.568 3.168 ( 0.058 -1.745 4.245) 4.590 3.223 ( 1.609 -2.204 3.424) 4.378 3.369 ( 0.825 -0.703 7.036) 7.118 3.444 ( 0.317 3.048 0.906) 3.195 3.450 ( -2.242 -0.605 2.049) 3.096 3.533 ( -0.399 4.844 -2.066) 5.281 3.634 ( 1.665 4.709 -3.769) 6.257 3.658 ( -0.914 -1.601 -3.097) 3.604 3.724 ( -1.434 4.326 -0.445) 4.579 3.819 ( -1.381 -0.426 -6.807) 6.958 3.914 ( -2.351 1.915 -4.288) 5.252 4.052 ( 3.224 2.046 -0.071) 3.819 4.135 ( -3.326 4.709 -4.823) 7.516 4.222 ( -4.284 1.949 -0.038) 4.707 4.278 ( 3.395 -0.148 -1.649) 3.777 4.363 ( -1.095 -0.885 -6.496) 6.647 4.421 ( -1.941 2.782 -3.707) 5.025 4.519 ( -2.565 -0.931 -0.272) 2.743 4.544 ( -4.924 0.761 -1.432) 5.184 4.589 ( -0.900 1.839 -3.159) 3.764 4.682 ( -1.573 1.222 -1.755) 2.655 4.732 ( 0.263 5.990 -1.367) 6.149 4.782 ( -3.727 0.388 -2.075) 4.283 4.824 ( -3.112 -0.741 -2.211) 3.889 4.902 ( -1.939 -1.264 -1.849) 2.963 4.940 ( 0.919 2.587 1.884) 3.330 4.998 ( 0.219 -1.372 -1.979) 2.418 5.094 ( -0.175 -3.027 -3.537) 4.659 5.142 ( -1.317 -2.482 0.950) 2.966 5.207 ( 0.747 -3.343 -4.613) 5.746 5.241 ( 0.038 -3.156 -1.710) 3.590 5.312 ( 0.542 -3.374 -2.618) 4.305 5.408 ( 1.303 -1.018 1.689) 2.363 5.448 ( 2.140 -2.010 0.750) 3.031 5.538 ( 0.559 6.294 -3.238) 7.100 5.613 ( 0.024 1.998 0.367) 2.032 5.680 ( -2.936 0.305 2.075) 3.608 5.776 ( -1.229 1.772 -0.898) 2.336 5.823 ( -1.684 0.143 0.374) 1.731 5.883 ( -0.299 -3.739 -2.117) 4.307 5.945 ( -2.221 1.990 -5.015) 5.835 6.025 ( 0.166 -2.769 -4.377) 5.182 6.110 ( 3.926 2.608 0.368) 4.727 6.186 ( 4.776 3.253 1.118) 5.885 6.249 ( 2.052 2.157 -0.019) 2.977 6.275 ( 2.044 0.913 -0.029) 2.239 6.358 ( -1.146 0.894 2.294) 2.716 6.444 ( 2.520 2.809 9.347) 10.081 6.478 ( -0.837 -0.796 4.382) 4.532 6.529 ( 2.080 0.200 4.782) 5.218 6.603 ( -0.091 2.013 1.416) 2.463 6.688 ( 2.285 4.015 -0.495) 4.646 6.782 ( 0.631 0.179 -1.338) 1.490 6.847 ( 1.218 2.411 1.630) 3.155 6.969 ( 3.392 0.672 2.666) 4.367 7.144 ( -1.144 -2.347 4.873) 5.529 7.278 ( 1.642 -1.476 -5.375) 5.811 7.356 ( -2.426 0.325 -4.604) 5.214 7.561 ( -3.014 3.023 -2.664) 5.032 7.585 ( 0.764 5.486 -0.820) 5.599 7.770 ( -5.055 7.530 4.950) 10.332 7.822 ( -4.573 -3.039 -0.233) 5.496 7.967 ( -4.521 1.242 0.363) 4.702 8.005 ( -4.978 2.511 1.409) 5.751 8.067 ( -1.238 0.753 3.078) 3.402 8.182 ( 1.874 -1.740 -3.320) 4.191 8.282 ( 0.542 3.004 4.713) 5.615 8.385 ( 5.646 -1.422 4.825) 7.562 8.588 ( -0.218 3.910 -1.445) 4.174 8.617 ( 0.200 1.217 -4.618) 4.780 8.773 ( 0.883 0.067 -0.282) 0.929 8.876 ( -0.594 -2.171 -8.172) 8.476 9.002 ( 2.261 2.682 -0.272) 3.519 9.052 ( 4.945 2.048 -3.553) 6.424 9.103 ( 1.910 -0.374 -0.683) 2.063 9.148 ( -1.200 2.128 -1.069) 2.666 9.313 ( -0.256 -0.138 0.834) 0.883 9.393 ( -1.060 0.670 2.967) 3.222 9.495 ( -1.258 -1.736 -6.776) 7.107 9.601 ( 2.676 -2.122 -1.216) 3.625 9.735 ( -2.300 -1.653 2.041) 3.491 9.860 ( 1.171 -4.025 2.709) 4.991 9.873 ( -1.433 -1.700 4.719) 5.216 10.041 ( -2.340 -5.921 3.180) 7.117 10.190 ( 7.062 -3.108 7.094) 10.481 10.316 ( 5.794 -9.227 2.343) 11.144 10.755 ( -3.953 -0.909 -0.703) 4.116 10.832 ( -4.965 -5.579 -2.427) 7.853 12.070 ( -1.078 -0.319 -2.325) 2.582 12.212 ( 2.847 -1.450 -4.129) 5.220 12.293 ( -1.265 1.395 3.509) 3.982 12.426 ( 3.154 -0.431 1.944) 3.730 12.996 ( -0.059 -4.112 1.211) 4.287 13.033 ( 0.455 -4.300 2.537) 5.013 13.068 ( 1.520 -3.758 0.558) 4.092 13.108 ( 0.692 -6.187 -1.382) 6.377 13.298 ( -0.985 2.289 -3.934) 4.657 13.404 ( 1.895 -0.478 -4.118) 4.558 13.501 ( -1.123 3.149 4.254) 5.411 13.599 ( -0.121 -0.814 1.836) 2.012 13.734 ( 2.705 3.349 0.392) 4.323 13.798 ( 4.270 0.043 -0.907) 4.366 13.975 ( -2.980 0.114 0.629) 3.048 14.031 ( -2.180 -1.028 -0.154) 2.415 14.160 ( 0.962 1.118 0.800) 1.679 14.222 ( 0.274 -0.859 -0.293) 0.948 14.234 ( -1.354 -0.693 -0.576) 1.626 14.285 ( -1.669 -2.061 0.086) 2.654 14.322 ( -0.598 -2.516 0.781) 2.701 14.378 ( -1.512 -1.919 1.531) 2.883 14.408 ( -3.820 -3.201 0.570) 5.017 14.464 ( -4.217 -3.267 1.243) 5.477 14.869 ( -1.436 1.169 -2.328) 2.975 14.940 ( 0.820 -0.348 -1.581) 1.815 14.963 ( -1.117 0.938 -0.732) 1.632 15.016 ( -0.145 -1.544 -3.368) 3.708 15.097 ( 0.146 -0.352 0.900) 0.978 15.146 ( 1.380 -1.034 -0.124) 1.729 15.290 ( -1.711 -2.170 1.976) 3.397 15.363 ( 2.654 1.710 4.091) 5.167 15.761 ( 4.917 1.861 1.109) 5.373 15.900 ( 10.625 3.415 4.674) 12.099 16.480 ( -7.218 5.588 -5.670) 10.746 16.571 ( -4.752 5.671 -3.972) 8.397 16.683 ( 1.014 4.665 -2.521) 5.398 16.782 ( 3.264 0.768 -2.844) 4.397 16.838 ( -0.254 2.258 1.911) 2.969 16.921 ( -0.727 -2.241 -0.730) 2.466 18.896 ( 1.446 5.080 7.023) 8.787 18.981 ( -1.802 5.025 6.547) 8.447 19.091 ( 2.319 -4.043 5.158) 6.952 19.191 ( -1.954 -4.234 1.914) 5.041 20.535 ( 0.567 -0.249 -4.477) 4.519 20.601 ( -0.304 -3.874 -3.505) 5.233 20.652 ( -1.189 -2.843 -5.582) 6.376 20.853 ( 4.309 -4.657 0.908) 6.409 20.967 ( -2.796 -0.905 -10.405) 10.812 21.042 ( -1.814 0.901 6.001) 6.333 21.096 ( 0.911 -1.294 -0.686) 1.725 21.300 ( 4.253 -4.590 -0.747) 6.302 21.489 ( -3.058 -0.721 -0.132) 3.144 21.589 ( 0.954 -3.057 1.583) 3.573 21.654 ( -3.020 -4.083 3.319) 6.067 21.726 ( -0.949 -3.335 7.319) 8.099 21.984 ( 2.385 -0.117 -0.089) 2.389 22.043 ( 2.291 -0.514 0.768) 2.471 22.154 ( -1.859 -1.076 -2.635) 3.400 22.190 ( -2.536 -2.102 -2.478) 4.122 22.869 ( -0.642 2.542 -1.005) 2.807 23.033 ( -1.071 0.074 4.566) 4.690 23.061 ( 0.200 -4.208 -3.005) 5.175 23.174 ( 0.253 -3.009 1.498) 3.371 23.885 ( 4.242 -1.841 -1.686) 4.922 23.887 ( 4.147 -1.622 -1.573) 4.723 24.068 ( -2.994 -0.663 -0.424) 3.095 24.077 ( -2.568 -0.457 -0.463) 2.649 24.527 ( 2.746 2.336 -0.122) 3.607 24.582 ( 2.516 0.325 -1.090) 2.761 24.691 ( -2.268 0.903 -1.482) 2.856 24.716 ( -1.878 -0.244 -1.886) 2.672 25.026 ( 2.282 8.275 0.216) 8.587 25.040 ( 2.182 6.531 -0.705) 6.922 25.221 ( -3.386 3.771 1.675) 5.338 25.238 ( -2.779 2.912 1.610) 4.335 25.929 ( 2.281 1.689 -0.505) 2.883 25.960 ( 1.597 0.242 -1.732) 2.368 26.072 ( -2.010 1.224 1.134) 2.612 26.080 ( -2.561 0.871 0.473) 2.746 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 -9.723 1.638) 9.861 1.433 ( 0.000 -3.876 5.968) 7.116 1.443 ( -0.000 -9.604 -1.504) 9.721 1.555 ( 0.000 -8.127 5.637) 9.890 1.592 ( -0.000 0.650 0.503) 0.822 1.705 ( 0.000 -2.701 11.532) 11.844 1.813 ( 0.000 -3.190 -2.110) 3.825 1.858 ( 0.000 3.892 6.836) 7.866 2.037 ( 0.000 9.021 15.332) 17.789 2.108 ( -0.000 -0.387 8.668) 8.677 2.265 ( 0.000 2.137 2.293) 3.135 2.274 ( -0.000 2.777 0.197) 2.784 2.317 ( 0.000 3.317 -3.857) 5.087 2.479 ( -0.000 1.519 -1.392) 2.060 2.534 ( 0.000 3.675 4.763) 6.016 2.597 ( 0.000 1.718 2.902) 3.372 2.619 ( 0.000 -0.640 -2.669) 2.744 2.709 ( -0.000 -0.834 5.619) 5.681 2.719 ( -0.000 4.327 4.395) 6.167 2.795 ( 0.000 -1.486 3.256) 3.579 2.848 ( 0.000 0.318 -0.514) 0.604 2.903 ( 0.000 -0.682 -2.766) 2.848 3.055 ( 0.000 0.323 4.210) 4.223 3.095 ( 0.000 -1.389 1.292) 1.897 3.166 ( 0.000 -6.959 0.217) 6.962 3.258 ( 0.000 3.112 5.040) 5.923 3.365 ( -0.000 -1.736 -0.226) 1.751 3.396 ( 0.000 0.088 3.962) 3.963 3.468 ( 0.000 -2.406 -2.036) 3.152 3.507 ( -0.000 2.109 9.346) 9.581 3.610 ( 0.000 8.654 -0.237) 8.658 3.649 ( 0.000 4.539 -1.811) 4.887 3.719 ( 0.000 7.963 -3.652) 8.760 3.844 ( 0.000 -0.169 -5.538) 5.540 3.874 ( 0.000 -1.197 -9.986) 10.058 4.084 ( 0.000 3.131 -1.659) 3.543 4.111 ( 0.000 2.970 -3.180) 4.352 4.173 ( 0.000 1.068 -0.297) 1.109 4.337 ( 0.000 -2.624 -4.357) 5.086 4.350 ( 0.000 1.964 -4.299) 4.726 4.391 ( 0.000 -0.384 -1.276) 1.332 4.450 ( 0.000 1.653 0.371) 1.694 4.499 ( 0.000 2.295 -0.268) 2.310 4.579 ( 0.000 -1.292 -2.208) 2.558 4.672 ( 0.000 -2.298 -0.468) 2.345 4.693 ( 0.000 3.174 -1.224) 3.402 4.751 ( 0.000 8.523 -4.817) 9.790 4.778 ( 0.000 -4.121 -4.902) 6.404 4.872 ( 0.000 0.092 -0.289) 0.303 4.950 ( 0.000 5.597 1.467) 5.787 5.066 ( -0.000 -2.285 1.420) 2.690 5.073 ( 0.000 -6.604 -0.881) 6.663 5.157 ( 0.000 -1.730 -3.355) 3.775 5.178 ( -0.000 -5.332 -3.832) 6.566 5.258 ( -0.000 -5.588 -4.190) 6.985 5.274 ( 0.000 -1.622 1.348) 2.109 5.442 ( 0.000 -1.406 -1.162) 1.824 5.484 ( 0.000 2.622 1.436) 2.989 5.542 ( 0.000 5.245 -3.397) 6.249 5.608 ( 0.000 4.476 -2.665) 5.209 5.662 ( 0.000 0.961 -0.100) 0.967 5.730 ( 0.000 -0.956 4.591) 4.689 5.837 ( 0.000 -1.031 -4.381) 4.501 5.863 ( 0.000 -1.907 2.611) 3.233 5.923 ( 0.000 1.333 -7.946) 8.057 6.031 ( 0.000 -1.132 -7.118) 7.207 6.194 ( 0.000 3.551 1.562) 3.879 6.196 ( -0.000 0.978 -0.803) 1.265 6.232 ( 0.000 1.063 0.177) 1.078 6.311 ( 0.000 2.328 -0.129) 2.332 6.367 ( 0.000 1.865 4.159) 4.557 6.479 ( 0.000 4.284 14.325) 14.952 6.499 ( 0.000 -3.995 3.687) 5.437 6.500 ( -0.000 -0.977 9.669) 9.718 6.630 ( 0.000 3.329 -2.612) 4.232 6.723 ( 0.000 4.415 -2.998) 5.337 6.782 ( 0.000 -0.765 1.637) 1.807 6.861 ( 0.000 1.707 0.410) 1.755 7.053 ( 0.000 -0.499 3.431) 3.467 7.084 ( 0.000 2.095 4.131) 4.632 7.299 ( 0.000 1.380 -6.146) 6.299 7.325 ( 0.000 2.295 -5.851) 6.285 7.511 ( 0.000 -2.585 -6.304) 6.813 7.610 ( 0.000 5.899 0.493) 5.920 7.737 ( -0.000 6.806 7.291) 9.973 7.742 ( 0.000 -5.780 0.045) 5.780 7.911 ( 0.000 6.858 -0.221) 6.862 7.954 ( 0.000 -2.455 2.173) 3.279 8.054 ( 0.000 2.644 3.545) 4.422 8.212 ( 0.000 -4.357 -6.639) 7.941 8.274 ( 0.000 4.442 7.863) 9.031 8.447 ( 0.000 -2.238 6.781) 7.141 8.584 ( 0.000 -0.124 -5.757) 5.758 8.624 ( 0.000 5.368 -1.326) 5.529 8.769 ( 0.000 0.467 -8.278) 8.291 8.923 ( 0.000 -0.677 -1.427) 1.579 8.975 ( 0.000 2.863 -0.943) 3.015 9.084 ( 0.000 1.974 -0.734) 2.106 9.126 ( 0.000 1.677 -1.946) 2.569 9.190 ( 0.000 0.069 -3.483) 3.484 9.286 ( 0.000 -1.310 0.108) 1.314 9.380 ( 0.000 2.316 5.780) 6.226 9.490 ( 0.000 -2.123 -7.514) 7.808 9.624 ( 0.000 -0.742 -1.189) 1.401 9.719 ( 0.000 -2.306 2.781) 3.613 9.856 ( 0.000 -2.783 9.542) 9.939 9.876 ( 0.000 -4.704 -2.792) 5.471 10.004 ( 0.000 -6.892 3.400) 7.685 10.325 ( 0.000 -4.405 6.164) 7.576 10.346 ( 0.000 -4.550 6.887) 8.254 10.730 ( -0.000 -3.582 -3.821) 5.237 10.739 ( 0.000 -4.082 -3.518) 5.389 12.059 ( 0.000 -0.963 -2.477) 2.657 12.255 ( 0.000 -0.784 -7.723) 7.763 12.270 ( -0.000 1.166 7.311) 7.403 12.462 ( 0.000 0.017 1.748) 1.748 12.998 ( 0.000 -4.776 1.724) 5.078 13.033 ( 0.000 -3.615 3.322) 4.909 13.095 ( 0.000 -5.416 -0.509) 5.439 13.113 ( 0.000 -4.413 -0.961) 4.516 13.284 ( 0.000 2.142 -4.935) 5.380 13.427 ( 0.000 -1.512 -5.640) 5.840 13.489 ( 0.000 3.833 5.223) 6.478 13.597 ( 0.000 -0.366 2.494) 2.521 13.805 ( 0.000 1.022 -0.290) 1.063 13.865 ( -0.000 2.788 2.836) 3.977 13.895 ( 0.000 -0.149 -2.594) 2.598 13.980 ( 0.000 1.167 1.112) 1.612 14.176 ( 0.000 0.583 -0.436) 0.728 14.203 ( 0.000 0.754 1.219) 1.434 14.233 ( 0.000 -1.680 -1.405) 2.190 14.268 ( 0.000 -2.372 0.354) 2.398 14.343 ( -0.000 -3.587 0.744) 3.663 14.361 ( -0.000 -2.030 1.399) 2.466 14.365 ( 0.000 -4.201 0.300) 4.212 14.391 ( -0.000 -3.555 1.180) 3.745 14.857 ( 0.000 1.168 -2.611) 2.861 14.943 ( 0.000 0.370 1.343) 1.393 14.967 ( 0.000 -0.142 -5.406) 5.408 14.998 ( 0.000 -1.079 -0.789) 1.337 15.108 ( 0.000 0.122 -1.290) 1.295 15.166 ( 0.000 -2.662 -1.575) 3.093 15.266 ( 0.000 -1.072 4.326) 4.456 15.389 ( 0.000 1.118 6.570) 6.664 15.828 ( 0.000 1.601 0.134) 1.606 16.043 ( 0.000 3.789 8.587) 9.386 16.375 ( 0.000 4.695 -10.463) 11.468 16.514 ( 0.000 6.069 -4.088) 7.318 16.694 ( 0.000 4.950 -2.150) 5.396 16.825 ( 0.000 3.708 3.539) 5.126 16.827 ( -0.000 -1.898 -4.979) 5.329 16.911 ( 0.000 -1.336 -0.140) 1.344 18.922 ( -0.000 5.112 6.141) 7.991 18.952 ( 0.000 5.086 7.602) 9.147 19.141 ( 0.000 -4.487 2.961) 5.376 19.145 ( -0.000 -3.522 4.083) 5.393 20.546 ( -0.000 -0.617 -5.069) 5.106 20.587 ( 0.000 -1.361 -1.700) 2.178 20.648 ( 0.000 -5.455 -7.767) 9.491 20.913 ( -0.000 -3.661 3.981) 5.408 20.939 ( 0.000 -1.100 -11.433) 11.486 21.007 ( 0.000 -1.159 4.552) 4.697 21.101 ( 0.000 -1.459 2.426) 2.831 21.392 ( -0.000 -1.275 0.905) 1.564 21.413 ( 0.000 -2.536 -3.870) 4.627 21.611 ( -0.000 -2.567 5.203) 5.802 21.613 ( 0.000 -3.891 -3.197) 5.036 21.710 ( 0.000 -4.398 8.125) 9.239 22.025 ( 0.000 0.356 0.874) 0.944 22.069 ( 0.000 0.561 0.755) 0.941 22.128 ( 0.000 -1.823 -4.002) 4.398 22.151 ( 0.000 -1.805 -2.160) 2.815 22.861 ( 0.000 2.063 -0.424) 2.106 23.022 ( 0.000 0.262 6.365) 6.370 23.063 ( 0.000 -4.896 -4.331) 6.537 23.176 ( 0.000 -2.662 1.530) 3.071 23.948 ( 0.000 -0.989 -0.603) 1.158 23.973 ( -0.000 -1.443 0.438) 1.508 23.997 ( 0.000 -1.431 -2.400) 2.794 24.033 ( 0.000 -0.971 -1.054) 1.433 24.571 ( 0.000 2.551 -1.207) 2.822 24.620 ( 0.000 1.007 0.601) 1.173 24.662 ( -0.000 1.343 -2.680) 2.998 24.676 ( 0.000 -2.188 -1.368) 2.580 25.064 ( 0.000 7.761 -1.838) 7.975 25.076 ( 0.000 7.003 -2.216) 7.345 25.164 ( -0.000 5.138 3.473) 6.202 25.201 ( 0.000 2.927 3.116) 4.275 25.965 ( 0.000 1.816 -1.169) 2.159 25.991 ( 0.000 0.302 -1.731) 1.757 26.025 ( 0.000 1.704 1.474) 2.254 26.050 ( 0.000 0.382 0.939) 1.014 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 -0.267 15.269) 15.271 1.139 ( 0.000 0.267 15.269) 15.271 1.483 ( 0.000 -1.461 -2.612) 2.993 1.483 ( 0.000 1.461 -2.612) 2.993 1.667 ( 0.000 -0.518 -0.400) 0.654 1.667 ( 0.000 0.518 -0.400) 0.654 1.839 ( 0.000 -8.319 4.018) 9.239 1.839 ( 0.000 8.319 4.018) 9.239 2.006 ( 0.000 -1.154 5.384) 5.507 2.006 ( 0.000 1.154 5.384) 5.507 2.134 ( 0.000 -4.201 1.211) 4.372 2.134 ( 0.000 4.201 1.211) 4.372 2.420 ( 0.000 -7.914 6.564) 10.282 2.420 ( 0.000 7.914 6.564) 10.282 2.475 ( 0.000 -3.769 -6.840) 7.810 2.475 ( 0.000 3.769 -6.840) 7.810 2.630 ( 0.000 -1.619 1.893) 2.491 2.630 ( 0.000 1.619 1.893) 2.491 2.817 ( 0.000 -1.069 2.836) 3.031 2.817 ( 0.000 1.069 2.836) 3.031 2.960 ( 0.000 -4.018 6.701) 7.813 2.960 ( 0.000 4.018 6.701) 7.813 3.049 ( 0.000 -4.606 0.217) 4.611 3.049 ( 0.000 4.606 0.217) 4.611 3.176 ( 0.000 -0.644 7.590) 7.617 3.176 ( 0.000 0.644 7.590) 7.617 3.383 ( 0.000 -2.500 9.342) 9.670 3.383 ( 0.000 2.500 9.342) 9.670 3.524 ( 0.000 -5.566 -2.737) 6.203 3.524 ( 0.000 5.566 -2.737) 6.203 3.656 ( 0.000 -0.349 -8.884) 8.891 3.656 ( 0.000 0.349 -8.884) 8.891 3.844 ( 0.000 -1.622 -0.728) 1.778 3.844 ( 0.000 1.622 -0.728) 1.778 4.003 ( 0.000 -3.615 -3.199) 4.827 4.003 ( 0.000 3.615 -3.199) 4.827 4.265 ( 0.000 -2.960 -4.077) 5.038 4.265 ( 0.000 2.960 -4.077) 5.038 4.306 ( 0.000 -1.808 -1.299) 2.227 4.306 ( 0.000 1.808 -1.299) 2.227 4.521 ( 0.000 -2.558 -3.479) 4.318 4.521 ( 0.000 2.558 -3.479) 4.318 4.623 ( 0.000 -5.583 -7.712) 9.521 4.623 ( 0.000 5.583 -7.712) 9.521 4.710 ( 0.000 -2.482 -0.902) 2.640 4.710 ( 0.000 2.482 -0.902) 2.640 4.831 ( 0.000 -1.736 1.606) 2.365 4.831 ( 0.000 1.736 1.606) 2.365 4.968 ( 0.000 -4.653 -1.522) 4.896 4.968 ( 0.000 4.653 -1.522) 4.896 5.076 ( 0.000 -1.144 1.511) 1.895 5.076 ( 0.000 1.144 1.511) 1.895 5.164 ( 0.000 -2.548 -0.538) 2.605 5.164 ( 0.000 2.548 -0.538) 2.605 5.186 ( 0.000 -0.504 -5.984) 6.005 5.186 ( 0.000 0.504 -5.984) 6.005 5.373 ( 0.000 -0.851 4.453) 4.533 5.373 ( 0.000 0.851 4.453) 4.533 5.637 ( 0.000 -2.792 -1.417) 3.131 5.637 ( 0.000 2.792 -1.417) 3.131 5.733 ( 0.000 -7.686 -2.600) 8.114 5.733 ( 0.000 7.686 -2.600) 8.114 5.871 ( 0.000 -1.598 -2.708) 3.144 5.871 ( 0.000 1.598 -2.708) 3.144 5.971 ( 0.000 -1.830 -0.903) 2.041 5.971 ( 0.000 1.830 -0.903) 2.041 6.140 ( 0.000 -0.404 0.972) 1.053 6.140 ( 0.000 0.404 0.972) 1.053 6.244 ( 0.000 -1.483 3.510) 3.810 6.244 ( 0.000 1.483 3.510) 3.810 6.403 ( 0.000 -3.018 -0.422) 3.047 6.403 ( 0.000 3.018 -0.422) 3.047 6.502 ( 0.000 -0.461 1.175) 1.262 6.502 ( 0.000 0.461 1.175) 1.262 6.655 ( 0.000 -0.230 4.770) 4.775 6.655 ( 0.000 0.230 4.770) 4.775 6.821 ( 0.000 -4.792 -1.164) 4.931 6.821 ( 0.000 4.792 -1.164) 4.931 7.013 ( 0.000 -6.634 6.242) 9.109 7.013 ( 0.000 6.634 6.242) 9.109 7.325 ( 0.000 -5.393 -5.385) 7.621 7.325 ( 0.000 5.393 -5.385) 7.621 7.633 ( 0.000 -0.280 0.601) 0.663 7.633 ( 0.000 0.280 0.601) 0.663 7.932 ( 0.000 -4.150 -1.699) 4.484 7.932 ( 0.000 4.150 -1.699) 4.484 8.028 ( 0.000 -2.795 1.859) 3.356 8.028 ( 0.000 2.795 1.859) 3.356 8.119 ( 0.000 -0.351 2.797) 2.819 8.119 ( 0.000 0.351 2.797) 2.819 8.299 ( 0.000 -0.742 1.560) 1.727 8.299 ( 0.000 0.742 1.560) 1.727 8.644 ( 0.000 -0.503 -2.224) 2.280 8.644 ( 0.000 0.503 -2.224) 2.280 8.789 ( 0.000 -2.270 -2.780) 3.589 8.789 ( 0.000 2.270 -2.780) 3.589 8.989 ( 0.000 -0.535 -3.600) 3.639 8.989 ( 0.000 0.535 -3.600) 3.639 9.148 ( 0.000 -2.395 -2.091) 3.180 9.148 ( 0.000 2.395 -2.091) 3.180 9.364 ( 0.000 -1.630 0.133) 1.635 9.364 ( 0.000 1.630 0.133) 1.635 9.510 ( 0.000 -0.219 -1.807) 1.820 9.510 ( 0.000 0.219 -1.807) 1.820 9.783 ( 0.000 -0.745 3.066) 3.155 9.783 ( 0.000 0.745 3.066) 3.155 9.961 ( 0.000 -2.047 2.415) 3.166 9.961 ( 0.000 2.047 2.415) 3.166 10.098 ( 0.000 -1.029 4.784) 4.893 10.098 ( 0.000 1.029 4.784) 4.893 10.809 ( 0.000 -1.841 -0.572) 1.928 10.809 ( 0.000 1.841 -0.572) 1.928 12.121 ( 0.000 -1.865 -3.742) 4.181 12.121 ( 0.000 1.865 -3.742) 4.181 12.349 ( 0.000 -1.157 2.887) 3.110 12.349 ( 0.000 1.157 2.887) 3.110 12.966 ( 0.000 -0.167 1.252) 1.263 12.966 ( 0.000 0.167 1.252) 1.263 13.024 ( 0.000 -0.705 0.434) 0.828 13.024 ( 0.000 0.705 0.434) 0.828 13.358 ( 0.000 -2.173 -3.818) 4.394 13.358 ( 0.000 2.173 -3.818) 4.394 13.569 ( 0.000 -1.937 2.564) 3.213 13.569 ( 0.000 1.937 2.564) 3.213 13.753 ( 0.000 -0.395 -0.122) 0.413 13.753 ( 0.000 0.395 -0.122) 0.413 14.002 ( 0.000 -1.424 -0.114) 1.429 14.002 ( 0.000 1.424 -0.114) 1.429 14.193 ( 0.000 -2.036 -0.709) 2.156 14.193 ( 0.000 2.036 -0.709) 2.156 14.247 ( 0.000 -1.161 1.619) 1.992 14.247 ( 0.000 1.161 1.619) 1.992 14.347 ( 0.000 -0.015 -1.334) 1.334 14.347 ( 0.000 0.015 -1.334) 1.334 14.475 ( 0.000 -0.161 3.095) 3.099 14.475 ( 0.000 0.161 3.095) 3.099 14.923 ( 0.000 -0.774 -2.049) 2.190 14.923 ( 0.000 0.774 -2.049) 2.190 14.977 ( 0.000 -0.561 -2.038) 2.113 14.977 ( 0.000 0.561 -2.038) 2.113 15.120 ( 0.000 -0.633 3.080) 3.144 15.120 ( 0.000 0.633 3.080) 3.144 15.311 ( 0.000 -0.038 -1.389) 1.389 15.311 ( 0.000 0.038 -1.389) 1.389 15.769 ( 0.000 -0.245 4.015) 4.023 15.769 ( 0.000 0.245 4.015) 4.023 16.664 ( 0.000 -1.024 -4.397) 4.515 16.664 ( 0.000 1.024 -4.397) 4.515 16.725 ( 0.000 -0.038 -3.273) 3.274 16.725 ( 0.000 0.038 -3.273) 3.274 16.879 ( 0.000 -2.073 2.467) 3.222 16.879 ( 0.000 2.073 2.467) 3.222 18.975 ( 0.000 -4.637 6.300) 7.822 18.975 ( 0.000 4.637 6.300) 7.822 19.113 ( 0.000 -5.544 3.989) 6.830 19.113 ( 0.000 5.544 3.989) 6.830 20.534 ( 0.000 -1.350 -4.094) 4.311 20.534 ( 0.000 1.350 -4.094) 4.311 20.704 ( 0.000 -2.903 -3.525) 4.567 20.704 ( 0.000 2.903 -3.525) 4.567 21.029 ( 0.000 -0.102 -6.416) 6.417 21.029 ( 0.000 0.102 -6.416) 6.417 21.147 ( 0.000 -4.251 2.915) 5.154 21.147 ( 0.000 4.251 2.915) 5.154 21.527 ( 0.000 -1.648 0.159) 1.655 21.527 ( 0.000 1.648 0.159) 1.655 21.683 ( 0.000 -0.085 7.583) 7.583 21.683 ( 0.000 0.085 7.583) 7.583 21.983 ( 0.000 -0.972 0.001) 0.972 21.983 ( 0.000 0.972 0.001) 0.972 22.178 ( 0.000 -1.267 -2.262) 2.593 22.178 ( 0.000 1.267 -2.262) 2.593 22.953 ( 0.000 -4.440 -3.381) 5.581 22.953 ( 0.000 4.440 -3.381) 5.581 23.106 ( 0.000 -2.801 3.356) 4.371 23.106 ( 0.000 2.801 3.356) 4.371 23.821 ( 0.000 -0.076 -2.238) 2.239 23.821 ( 0.000 0.076 -2.238) 2.239 24.096 ( 0.000 -0.258 -0.110) 0.281 24.096 ( 0.000 0.258 -0.110) 0.281 24.536 ( 0.000 -1.542 -0.315) 1.574 24.536 ( 0.000 1.542 -0.315) 1.574 24.727 ( 0.000 -0.216 -1.650) 1.664 24.727 ( 0.000 0.216 -1.650) 1.664 25.089 ( 0.000 -0.029 0.819) 0.819 25.089 ( 0.000 0.029 0.819) 0.819 25.290 ( 0.000 -0.378 0.921) 0.995 25.290 ( 0.000 0.378 0.921) 0.995 25.933 ( 0.000 -1.105 -1.174) 1.612 25.933 ( 0.000 1.105 -1.174) 1.612 26.111 ( 0.000 -0.543 0.829) 0.991 26.111 ( 0.000 0.543 0.829) 0.991 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.252 0.000 11.846) 12.058 1.234 ( 7.265 0.000 10.510) 12.776 1.410 ( -3.497 0.000 -2.356) 4.217 1.489 ( -4.102 0.000 1.269) 4.294 1.613 ( 2.431 0.000 -1.502) 2.858 1.656 ( -2.772 0.000 -1.509) 3.156 1.863 ( -3.169 0.000 3.403) 4.650 1.904 ( 0.343 0.000 4.904) 4.916 2.038 ( 6.193 -0.000 10.917) 12.552 2.068 ( 5.195 0.000 8.222) 9.726 2.182 ( 5.630 0.000 2.876) 6.322 2.263 ( 8.888 0.000 -0.152) 8.889 2.393 ( 0.184 0.000 4.712) 4.715 2.452 ( 2.972 0.000 3.921) 4.920 2.502 ( 1.655 -0.000 2.929) 3.364 2.536 ( 7.942 0.000 -7.814) 11.142 2.617 ( -0.764 0.000 1.169) 1.397 2.648 ( 2.082 0.000 4.624) 5.071 2.722 ( -6.307 0.000 5.379) 8.289 2.814 ( -1.168 0.000 0.005) 1.168 2.908 ( -3.178 0.000 2.888) 4.294 2.973 ( -0.707 0.000 2.270) 2.377 3.011 ( -2.190 0.000 -4.591) 5.086 3.075 ( -1.594 0.000 2.100) 2.637 3.151 ( -2.342 0.000 5.148) 5.656 3.215 ( 4.854 0.000 8.629) 9.901 3.351 ( -0.203 0.000 7.818) 7.820 3.432 ( 0.012 0.000 5.103) 5.103 3.488 ( -2.907 -0.000 -0.703) 2.990 3.550 ( 0.965 0.000 -0.429) 1.056 3.657 ( -1.860 0.000 -10.819) 10.978 3.669 ( 1.690 -0.000 -3.616) 3.991 3.822 ( -0.093 0.000 -2.994) 2.996 3.842 ( 0.885 -0.000 0.564) 1.050 3.946 ( -2.676 0.000 -4.340) 5.099 4.080 ( 3.363 0.000 -2.485) 4.182 4.209 ( -2.690 -0.000 -1.439) 3.051 4.256 ( -3.795 0.000 0.050) 3.796 4.270 ( -2.029 -0.000 -4.778) 5.191 4.301 ( 0.388 0.000 -2.513) 2.543 4.479 ( -2.695 0.000 0.496) 2.740 4.492 ( -3.277 -0.000 -8.310) 8.932 4.582 ( -2.413 0.000 -0.619) 2.491 4.601 ( -0.421 0.000 -9.658) 9.667 4.737 ( -0.377 0.000 -0.307) 0.486 4.764 ( -3.949 0.000 -4.055) 5.660 4.800 ( 1.457 -0.000 1.717) 2.252 4.804 ( -4.321 0.000 2.166) 4.834 4.878 ( 0.806 0.000 -5.403) 5.463 4.956 ( -2.074 0.000 -1.195) 2.394 5.017 ( -4.095 0.000 -2.935) 5.038 5.048 ( -1.786 0.000 1.598) 2.397 5.110 ( 0.864 0.000 1.216) 1.491 5.165 ( 1.075 0.000 0.822) 1.353 5.186 ( -2.560 0.000 -3.210) 4.106 5.286 ( 0.143 0.000 -2.306) 2.311 5.391 ( 2.757 0.000 2.976) 4.056 5.426 ( 5.672 0.000 1.244) 5.807 5.617 ( -0.006 0.000 -3.004) 3.004 5.663 ( 0.812 0.000 1.438) 1.652 5.691 ( -0.787 0.000 -0.722) 1.068 5.776 ( -2.708 0.000 -4.332) 5.109 5.813 ( 1.817 0.000 -3.104) 3.597 5.819 ( -5.774 -0.000 -0.993) 5.859 5.979 ( -1.164 0.000 -1.731) 2.086 5.999 ( 2.421 0.000 -7.397) 7.783 6.147 ( 1.481 0.000 -0.443) 1.546 6.179 ( 3.900 0.000 0.178) 3.904 6.293 ( -2.791 0.000 -0.232) 2.801 6.302 ( 3.529 0.000 3.596) 5.038 6.356 ( 4.077 0.000 5.270) 6.663 6.410 ( -0.656 0.000 3.071) 3.140 6.511 ( 2.371 0.000 8.050) 8.392 6.547 ( -1.677 0.000 11.801) 11.919 6.624 ( 2.521 0.000 -3.259) 4.120 6.701 ( 2.613 0.000 -1.176) 2.866 6.818 ( -0.252 0.000 -0.494) 0.554 6.867 ( 2.164 0.000 -1.533) 2.652 7.022 ( 0.793 0.000 6.349) 6.398 7.060 ( 4.752 -0.000 5.082) 6.958 7.287 ( -1.103 0.000 -6.832) 6.920 7.342 ( 0.104 0.000 -3.179) 3.181 7.582 ( -4.356 0.000 -2.596) 5.071 7.642 ( -1.388 0.000 -2.713) 3.047 7.813 ( -8.525 0.000 2.222) 8.810 7.860 ( -4.506 0.000 1.914) 4.896 7.946 ( -3.686 0.000 1.551) 3.999 8.055 ( -1.533 0.000 8.452) 8.590 8.093 ( 0.508 -0.000 -4.479) 4.508 8.119 ( -0.927 0.000 -3.430) 3.553 8.339 ( 0.219 0.000 2.542) 2.552 8.358 ( 5.016 0.000 6.639) 8.321 8.599 ( -2.466 0.000 -5.498) 6.025 8.668 ( 1.405 0.000 -0.093) 1.408 8.806 ( 6.133 0.000 -0.651) 6.168 8.810 ( -2.041 -0.000 -9.263) 9.485 9.038 ( 6.470 0.000 1.419) 6.623 9.052 ( 0.808 -0.000 -5.304) 5.366 9.119 ( -0.609 0.000 -1.822) 1.921 9.191 ( 1.720 0.000 -2.739) 3.234 9.281 ( -3.394 0.000 0.047) 3.395 9.405 ( 0.440 0.000 3.953) 3.978 9.480 ( -0.876 0.000 -6.227) 6.289 9.569 ( 3.301 0.000 -0.538) 3.345 9.720 ( -2.354 0.000 1.681) 2.892 9.816 ( -0.100 0.000 4.877) 4.878 9.860 ( -2.440 0.000 2.328) 3.372 9.978 ( -3.053 0.000 3.211) 4.430 10.186 ( 8.942 0.000 5.586) 10.543 10.196 ( 6.194 0.000 4.899) 7.897 10.759 ( -4.363 0.000 -1.713) 4.687 10.761 ( -4.513 -0.000 -1.606) 4.791 12.066 ( -1.923 0.000 -3.244) 3.771 12.197 ( 3.872 0.000 -4.461) 5.907 12.304 ( -1.740 0.000 3.736) 4.121 12.421 ( 3.641 0.000 1.943) 4.127 12.949 ( -0.445 0.000 1.379) 1.448 12.989 ( 0.887 0.000 3.515) 3.626 13.028 ( 0.428 0.000 -0.569) 0.712 13.044 ( 1.719 0.000 -0.476) 1.783 13.336 ( -1.180 0.000 -5.097) 5.232 13.386 ( 1.460 0.000 -3.986) 4.245 13.542 ( -0.802 0.000 3.121) 3.222 13.584 ( 0.121 0.000 3.499) 3.501 13.783 ( 2.378 0.000 -0.280) 2.394 13.787 ( 4.005 0.000 -0.305) 4.017 13.985 ( -2.215 0.000 -0.248) 2.229 14.010 ( -0.127 0.000 0.414) 0.433 14.191 ( 0.413 -0.000 -0.431) 0.596 14.196 ( -0.173 0.000 -0.473) 0.504 14.237 ( -0.858 0.000 0.807) 1.178 14.245 ( -0.766 0.000 0.873) 1.162 14.302 ( -1.725 0.000 -0.076) 1.727 14.349 ( -1.715 0.000 0.246) 1.733 14.394 ( -4.354 0.000 1.839) 4.726 14.431 ( -5.196 0.000 2.083) 5.598 14.884 ( -1.458 0.000 -2.202) 2.641 14.933 ( 0.458 0.000 -0.886) 0.997 14.984 ( 0.248 -0.000 -1.286) 1.310 14.987 ( -0.760 0.000 -3.674) 3.752 15.094 ( 0.598 0.000 0.778) 0.981 15.137 ( 0.198 0.000 0.181) 0.269 15.266 ( -1.357 0.000 1.881) 2.320 15.382 ( 2.528 0.000 3.529) 4.341 15.780 ( 4.552 0.000 1.437) 4.773 15.934 ( 10.899 0.000 5.389) 12.159 16.536 ( -8.118 0.000 -6.536) 10.422 16.630 ( -4.510 0.000 -4.159) 6.135 16.743 ( 2.000 0.000 -3.389) 3.935 16.772 ( 1.667 0.000 -2.854) 3.306 16.871 ( -0.345 0.000 2.507) 2.530 16.886 ( 0.285 0.000 2.422) 2.439 18.984 ( 0.998 -0.000 5.856) 5.940 18.996 ( 1.801 0.000 6.411) 6.660 19.097 ( -1.496 -0.000 4.067) 4.333 19.101 ( -1.023 0.000 4.417) 4.534 20.543 ( 1.036 -0.000 -4.285) 4.409 20.544 ( 0.690 0.000 -4.868) 4.917 20.628 ( -3.382 0.000 -5.492) 6.450 20.799 ( 5.210 0.000 0.347) 5.222 20.959 ( -2.945 0.000 -12.180) 12.531 21.062 ( -4.550 0.000 6.114) 7.621 21.078 ( 1.352 0.000 1.867) 2.305 21.255 ( 6.556 0.000 -2.261) 6.935 21.484 ( -3.514 0.000 -0.534) 3.554 21.556 ( 1.531 0.000 -0.629) 1.656 21.612 ( -3.096 0.000 6.035) 6.783 21.698 ( -1.521 0.000 7.930) 8.074 21.984 ( 2.321 0.000 -0.507) 2.376 22.038 ( 3.033 0.000 0.857) 3.152 22.147 ( -2.512 0.000 -3.425) 4.248 22.166 ( -1.759 0.000 -2.009) 2.670 22.913 ( -1.742 0.000 -1.748) 2.467 22.987 ( 1.343 0.000 -3.794) 4.024 23.056 ( -2.382 0.000 4.222) 4.848 23.140 ( 1.024 0.000 2.639) 2.831 23.866 ( 4.479 0.000 -1.834) 4.840 23.871 ( 4.271 0.000 -1.557) 4.546 24.061 ( -3.461 0.000 -0.410) 3.485 24.070 ( -2.705 0.000 -0.350) 2.727 24.553 ( 2.212 0.000 -0.690) 2.317 24.574 ( 3.163 0.000 -0.242) 3.172 24.694 ( -2.634 0.000 -1.672) 3.120 24.714 ( -1.995 0.000 -1.422) 2.449 25.108 ( 2.036 0.000 0.278) 2.055 25.113 ( 2.114 0.000 0.282) 2.133 25.259 ( -2.705 0.000 1.242) 2.977 25.267 ( -2.299 0.000 1.414) 2.699 25.953 ( 2.009 -0.000 -1.106) 2.294 25.956 ( 2.130 0.000 -1.123) 2.408 26.086 ( -2.321 0.000 0.761) 2.442 26.087 ( -2.289 -0.000 0.828) 2.434 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 0.000 4.691) 4.691 1.307 ( 0.000 0.000 -5.540) 5.540 1.411 ( 0.000 0.000 10.173) 10.173 1.422 ( 0.000 -0.000 5.617) 5.617 1.609 ( 0.000 0.000 -0.293) 0.293 1.693 ( 0.000 0.000 7.495) 7.495 1.773 ( 0.000 0.000 -4.147) 4.147 1.871 ( 0.000 0.000 6.144) 6.144 2.117 ( 0.000 0.000 9.784) 9.784 2.147 ( 0.000 0.000 16.435) 16.435 2.255 ( 0.000 0.000 3.392) 3.392 2.297 ( 0.000 0.000 4.001) 4.001 2.404 ( 0.000 0.000 -2.654) 2.654 2.519 ( -0.000 -0.000 -1.346) 1.346 2.589 ( 0.000 0.000 -2.309) 2.309 2.625 ( -0.000 0.000 9.972) 9.972 2.630 ( 0.000 -0.000 -1.340) 1.340 2.648 ( -0.000 0.000 6.275) 6.275 2.750 ( 0.000 0.000 7.672) 7.672 2.769 ( -0.000 0.000 8.141) 8.141 2.895 ( -0.000 0.000 -10.945) 10.945 2.900 ( 0.000 -0.000 -1.867) 1.867 2.978 ( 0.000 0.000 -9.798) 9.798 3.035 ( 0.000 0.000 6.627) 6.627 3.125 ( 0.000 0.000 3.791) 3.791 3.293 ( 0.000 0.000 6.335) 6.335 3.334 ( 0.000 0.000 3.774) 3.774 3.392 ( 0.000 0.000 1.479) 1.479 3.463 ( 0.000 0.000 1.038) 1.038 3.542 ( 0.000 0.000 7.662) 7.662 3.634 ( 0.000 0.000 -10.547) 10.547 3.685 ( 0.000 0.000 -2.876) 2.876 3.868 ( 0.000 0.000 3.559) 3.559 3.871 ( -0.000 0.000 -6.615) 6.615 3.877 ( 0.000 0.000 -6.049) 6.049 4.101 ( 0.000 0.000 -3.317) 3.317 4.206 ( -0.000 -0.000 -1.232) 1.232 4.220 ( 0.000 -0.000 -2.281) 2.281 4.227 ( 0.000 0.000 -2.908) 2.908 4.309 ( 0.000 0.000 -0.843) 0.843 4.443 ( 0.000 0.000 -0.961) 0.961 4.443 ( 0.000 0.000 -6.250) 6.250 4.584 ( 0.000 0.000 -0.285) 0.285 4.598 ( 0.000 -0.000 -8.081) 8.081 4.646 ( 0.000 0.000 -1.781) 1.781 4.732 ( -0.271 0.000 -2.403) 2.418 4.732 ( 0.271 0.000 3.578) 3.589 4.836 ( 0.000 0.000 -4.279) 4.279 4.919 ( 0.000 -0.000 -5.240) 5.240 4.938 ( 0.000 0.000 -0.400) 0.400 5.011 ( 0.000 -0.000 -0.167) 0.167 5.031 ( 0.000 0.000 1.192) 1.192 5.101 ( 0.000 0.000 1.047) 1.047 5.140 ( 0.000 0.000 -2.442) 2.442 5.186 ( 0.000 0.000 -0.417) 0.417 5.261 ( 0.000 0.000 1.209) 1.209 5.431 ( 0.000 0.000 0.709) 0.709 5.520 ( 0.000 0.000 0.723) 0.723 5.619 ( -0.000 0.000 -0.448) 0.448 5.654 ( 0.000 -0.000 -3.896) 3.896 5.665 ( -0.000 -0.000 -1.330) 1.330 5.738 ( 0.000 -0.000 0.165) 0.165 5.800 ( 0.000 0.000 -6.755) 6.755 5.816 ( 0.000 0.000 3.741) 3.741 5.951 ( -0.000 0.000 -8.559) 8.559 6.034 ( 0.000 0.000 -10.758) 10.758 6.204 ( 0.000 0.000 0.321) 0.321 6.206 ( -0.000 0.000 1.063) 1.063 6.236 ( 0.000 0.000 -0.676) 0.676 6.313 ( 0.000 0.000 1.240) 1.240 6.401 ( 0.000 0.000 9.702) 9.702 6.469 ( 0.000 0.000 7.362) 7.362 6.483 ( -0.000 0.000 9.129) 9.129 6.540 ( 0.000 0.000 16.229) 16.229 6.659 ( 0.000 0.000 -5.404) 5.404 6.769 ( 0.000 0.000 0.477) 0.477 6.803 ( 0.000 0.000 -1.546) 1.546 6.874 ( 0.000 0.000 -3.493) 3.493 7.029 ( 0.000 0.000 5.241) 5.241 7.122 ( 0.000 0.000 1.793) 1.793 7.317 ( 0.000 0.000 -0.279) 0.279 7.339 ( 0.000 0.000 -0.343) 0.343 7.479 ( 0.000 0.000 -10.532) 10.532 7.607 ( 0.000 0.000 -10.825) 10.825 7.731 ( 0.000 0.000 5.123) 5.123 7.830 ( -0.000 0.000 10.213) 10.213 7.907 ( 0.000 0.000 1.568) 1.568 8.019 ( 0.000 0.000 7.207) 7.207 8.105 ( 0.000 -0.000 -7.645) 7.645 8.109 ( 0.000 0.000 -4.380) 4.380 8.332 ( 0.000 0.000 4.746) 4.746 8.412 ( 0.000 0.000 8.331) 8.331 8.578 ( 0.000 0.000 -5.953) 5.953 8.685 ( 0.000 0.000 0.392) 0.392 8.783 ( 0.000 0.000 -10.449) 10.449 8.913 ( -0.000 0.000 -1.299) 1.299 9.014 ( 0.000 0.000 -3.643) 3.643 9.114 ( 0.000 0.000 -3.361) 3.361 9.130 ( 0.000 0.000 1.361) 1.361 9.189 ( 0.000 0.000 -2.347) 2.347 9.259 ( 0.000 0.000 0.538) 0.538 9.408 ( 0.000 0.000 5.430) 5.430 9.470 ( 0.000 0.000 -8.117) 8.117 9.603 ( 0.000 0.000 -1.152) 1.152 9.705 ( 0.000 0.000 1.927) 1.927 9.825 ( -0.000 0.000 9.757) 9.757 9.828 ( 0.000 0.000 -2.204) 2.204 9.938 ( 0.000 0.000 3.390) 3.390 10.274 ( 0.000 0.000 6.379) 6.379 10.297 ( 0.000 0.000 7.527) 7.527 10.696 ( 0.000 0.000 -3.723) 3.723 10.699 ( 0.000 0.000 -3.520) 3.520 12.048 ( 0.000 0.000 -3.077) 3.077 12.247 ( 0.000 0.000 -8.273) 8.273 12.278 ( -0.000 0.000 7.485) 7.485 12.461 ( 0.000 0.000 1.490) 1.490 12.946 ( 0.000 0.000 1.883) 1.883 12.998 ( 0.000 0.000 4.877) 4.877 13.033 ( 0.000 0.000 -1.416) 1.416 13.066 ( 0.000 0.000 -0.788) 0.788 13.321 ( 0.000 0.000 -6.401) 6.401 13.401 ( 0.000 0.000 -4.727) 4.727 13.540 ( 0.000 0.000 4.449) 4.449 13.583 ( 0.000 0.000 4.041) 4.041 13.817 ( 0.000 0.000 -0.981) 0.981 13.894 ( 0.000 0.000 2.846) 2.846 13.896 ( -0.000 0.000 -3.053) 3.053 13.996 ( 0.000 0.000 1.352) 1.352 14.186 ( 0.000 0.000 -0.507) 0.507 14.210 ( -0.000 0.000 -1.232) 1.232 14.216 ( 0.000 0.000 1.356) 1.356 14.231 ( 0.000 0.000 0.553) 0.553 14.314 ( 0.000 0.000 0.416) 0.416 14.320 ( 0.000 0.000 0.496) 0.496 14.341 ( 0.000 0.000 1.312) 1.312 14.361 ( 0.000 0.000 1.563) 1.563 14.871 ( 0.000 0.000 -2.496) 2.496 14.949 ( -0.000 0.000 1.248) 1.248 14.963 ( 0.000 0.000 -5.106) 5.106 14.985 ( 0.000 0.000 -0.975) 0.975 15.111 ( 0.000 0.000 -2.165) 2.165 15.139 ( 0.000 0.000 -1.293) 1.293 15.252 ( 0.000 0.000 4.722) 4.722 15.403 ( 0.000 0.000 6.414) 6.414 15.845 ( 0.000 0.000 0.202) 0.202 16.081 ( 0.000 0.000 9.289) 9.289 16.422 ( 0.000 0.000 -10.948) 10.948 16.575 ( 0.000 0.000 -4.508) 4.508 16.762 ( 0.000 0.000 -3.291) 3.291 16.788 ( 0.000 0.000 -2.691) 2.691 16.867 ( 0.000 0.000 2.550) 2.550 16.889 ( 0.000 0.000 2.416) 2.416 18.998 ( 0.000 -0.000 5.355) 5.355 19.025 ( 0.000 -0.000 6.825) 6.825 19.071 ( 0.000 0.000 3.778) 3.778 19.087 ( 0.000 0.000 4.968) 4.968 20.553 ( 0.000 -0.000 -5.466) 5.466 20.572 ( -0.000 0.000 -2.417) 2.417 20.576 ( 0.000 0.000 -8.178) 8.178 20.870 ( -0.000 0.000 2.334) 2.334 20.932 ( 0.000 0.000 -11.005) 11.005 20.996 ( 0.000 0.000 3.968) 3.968 21.089 ( 0.000 0.000 4.112) 4.112 21.380 ( -0.000 0.000 0.778) 0.778 21.389 ( 0.000 0.000 -3.731) 3.731 21.577 ( 0.000 0.000 -3.186) 3.186 21.584 ( 0.000 0.000 4.110) 4.110 21.669 ( 0.000 0.000 9.514) 9.514 22.029 ( 0.000 0.000 0.604) 0.604 22.080 ( 0.000 0.000 1.440) 1.440 22.106 ( 0.000 0.000 -5.067) 5.067 22.133 ( 0.000 0.000 -2.540) 2.540 22.896 ( 0.000 0.000 -0.805) 0.805 23.004 ( 0.000 0.000 -4.422) 4.422 23.028 ( 0.000 0.000 5.451) 5.451 23.149 ( 0.000 0.000 2.400) 2.400 23.937 ( -0.000 0.000 -0.508) 0.508 23.958 ( -0.000 0.000 0.384) 0.384 23.982 ( 0.000 0.000 -2.433) 2.433 24.022 ( 0.000 0.000 -1.056) 1.056 24.594 ( 0.000 0.000 -0.945) 0.945 24.630 ( 0.000 0.000 0.111) 0.111 24.650 ( 0.000 0.000 -1.616) 1.616 24.670 ( 0.000 0.000 -1.664) 1.664 25.143 ( 0.000 0.000 -1.291) 1.291 25.146 ( 0.000 0.000 -1.026) 1.026 25.216 ( -0.000 0.000 2.633) 2.633 25.231 ( -0.000 0.000 2.641) 2.641 25.988 ( 0.000 0.000 -1.345) 1.345 25.992 ( 0.000 0.000 -1.504) 1.504 26.048 ( 0.000 -0.000 1.009) 1.009 26.049 ( 0.000 0.000 1.244) 1.244 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 0.000 24.983) 24.983 1.070 ( 0.000 0.000 22.922) 22.922 1.311 ( 0.000 0.000 -2.855) 2.855 1.364 ( 0.000 0.000 -16.590) 16.590 1.588 ( 0.000 0.000 0.486) 0.486 1.661 ( 0.000 0.000 2.641) 2.641 1.695 ( 0.000 0.000 1.545) 1.545 1.747 ( 0.000 0.000 -4.905) 4.905 1.754 ( 0.000 0.000 4.823) 4.823 1.904 ( 0.000 0.000 3.191) 3.191 1.959 ( 0.000 0.000 -11.002) 11.002 1.991 ( 0.000 0.000 -6.454) 6.454 2.308 ( 0.000 0.000 32.985) 32.985 2.366 ( 0.000 0.000 6.852) 6.852 2.490 ( 0.000 0.000 -6.037) 6.037 2.555 ( 0.000 0.000 2.135) 2.135 2.644 ( 0.000 0.000 3.469) 3.469 2.738 ( 0.000 0.000 0.020) 0.020 2.816 ( 0.000 0.000 2.682) 2.682 2.862 ( 0.000 0.000 14.287) 14.287 3.014 ( 0.000 0.000 5.744) 5.744 3.097 ( 0.000 0.000 -23.004) 23.004 3.166 ( 0.000 0.000 8.956) 8.956 3.207 ( 0.000 0.000 -2.929) 2.929 3.218 ( 0.000 0.000 4.302) 4.302 3.264 ( 0.000 0.000 2.811) 2.811 3.323 ( 0.000 0.000 6.069) 6.069 3.520 ( 0.000 0.000 -5.018) 5.018 3.571 ( 0.000 0.000 -5.908) 5.908 3.606 ( 0.000 0.000 -15.785) 15.785 3.656 ( 0.000 0.000 5.882) 5.882 3.811 ( 0.000 0.000 0.598) 0.598 3.818 ( 0.000 0.000 4.414) 4.414 3.851 ( 0.000 0.000 -2.476) 2.476 3.932 ( 0.000 0.000 1.277) 1.277 4.004 ( 0.000 0.000 -7.437) 7.437 4.014 ( 0.000 0.000 -7.140) 7.140 4.016 ( 0.000 0.000 -15.156) 15.156 4.230 ( 0.000 0.000 0.186) 0.186 4.274 ( 0.000 0.000 -2.720) 2.720 4.374 ( 0.000 0.000 6.907) 6.907 4.381 ( 0.000 0.000 2.035) 2.035 4.422 ( 0.000 0.000 -2.658) 2.658 4.494 ( 0.000 0.000 -5.746) 5.746 4.623 ( 0.000 0.000 4.264) 4.264 4.654 ( 0.000 0.000 0.374) 0.374 4.874 ( 0.000 0.000 4.154) 4.154 4.888 ( 0.000 0.000 1.353) 1.353 4.901 ( 0.000 0.000 -0.222) 0.222 4.952 ( 0.000 0.000 4.678) 4.678 4.960 ( 0.000 0.000 -4.008) 4.008 5.079 ( 0.000 0.000 -8.175) 8.175 5.105 ( 0.000 0.000 3.508) 3.508 5.162 ( 0.000 0.000 -2.129) 2.129 5.336 ( 0.000 0.000 2.100) 2.100 5.380 ( 0.000 0.000 -0.783) 0.783 5.517 ( 0.000 0.000 3.924) 3.924 5.545 ( 0.000 0.000 0.939) 0.939 5.555 ( 0.000 0.000 4.623) 4.623 5.621 ( 0.000 0.000 -1.988) 1.988 5.676 ( 0.000 0.000 6.689) 6.689 5.785 ( 0.000 0.000 -0.645) 0.645 5.810 ( 0.000 0.000 -2.728) 2.728 5.823 ( 0.000 0.000 -2.778) 2.778 5.941 ( 0.000 0.000 -3.122) 3.122 5.946 ( 0.000 0.000 -7.498) 7.498 5.961 ( 0.000 0.000 -0.258) 0.258 5.965 ( 0.000 0.000 0.123) 0.123 6.114 ( 0.000 0.000 1.412) 1.412 6.135 ( 0.000 0.000 4.045) 4.045 6.178 ( 0.000 0.000 -0.520) 0.520 6.209 ( 0.000 0.000 -7.648) 7.648 6.456 ( 0.000 0.000 4.592) 4.592 6.507 ( 0.000 0.000 0.779) 0.779 6.550 ( 0.000 0.000 6.847) 6.847 6.639 ( 0.000 0.000 -2.258) 2.258 6.832 ( 0.000 0.000 1.436) 1.436 6.883 ( 0.000 0.000 -4.411) 4.411 6.895 ( 0.000 0.000 10.162) 10.162 6.967 ( 0.000 0.000 4.420) 4.420 7.074 ( 0.000 0.000 -4.709) 4.709 7.135 ( 0.000 0.000 -13.709) 13.709 7.287 ( 0.000 0.000 7.164) 7.164 7.437 ( 0.000 0.000 -7.372) 7.372 7.726 ( 0.000 0.000 2.938) 2.938 7.805 ( 0.000 0.000 -4.080) 4.080 7.896 ( 0.000 0.000 -2.034) 2.034 7.902 ( 0.000 0.000 -1.958) 1.958 8.159 ( 0.000 0.000 9.641) 9.641 8.226 ( 0.000 0.000 6.381) 6.381 8.332 ( 0.000 0.000 -3.474) 3.474 8.340 ( 0.000 0.000 -9.680) 9.680 8.533 ( 0.000 0.000 6.953) 6.953 8.687 ( 0.000 0.000 -8.514) 8.514 8.747 ( 0.000 0.000 3.936) 3.936 8.793 ( 0.000 0.000 -0.336) 0.336 9.009 ( 0.000 0.000 -1.881) 1.881 9.038 ( 0.000 0.000 -3.621) 3.621 9.038 ( 0.000 0.000 7.161) 7.161 9.143 ( 0.000 0.000 -2.951) 2.951 9.363 ( 0.000 0.000 6.338) 6.338 9.451 ( 0.000 0.000 -3.773) 3.773 9.522 ( 0.000 0.000 6.308) 6.308 9.639 ( 0.000 0.000 -5.336) 5.336 9.812 ( 0.000 0.000 7.645) 7.645 9.920 ( 0.000 0.000 -2.723) 2.723 10.392 ( 0.000 0.000 6.889) 6.889 10.522 ( 0.000 0.000 -6.660) 6.660 10.705 ( 0.000 0.000 -0.569) 0.569 10.709 ( 0.000 0.000 -0.657) 0.657 10.926 ( 0.000 0.000 7.398) 7.398 11.069 ( 0.000 0.000 -7.494) 7.494 12.182 ( 0.000 0.000 2.652) 2.652 12.193 ( 0.000 0.000 5.698) 5.698 12.232 ( 0.000 0.000 -2.596) 2.596 12.300 ( 0.000 0.000 -5.467) 5.467 13.064 ( 0.000 0.000 3.647) 3.647 13.118 ( 0.000 0.000 5.167) 5.167 13.138 ( 0.000 0.000 -4.255) 4.255 13.209 ( 0.000 0.000 -4.227) 4.227 13.448 ( 0.000 0.000 0.867) 0.867 13.472 ( 0.000 0.000 -1.734) 1.734 13.515 ( 0.000 0.000 2.967) 2.967 13.516 ( 0.000 0.000 2.415) 2.415 13.654 ( 0.000 0.000 -0.384) 0.384 13.677 ( 0.000 0.000 -2.610) 2.610 14.068 ( 0.000 0.000 1.427) 1.427 14.074 ( 0.000 0.000 0.652) 0.652 14.273 ( 0.000 0.000 0.666) 0.666 14.292 ( 0.000 0.000 -1.042) 1.042 14.312 ( 0.000 0.000 0.453) 0.453 14.330 ( 0.000 0.000 -1.280) 1.280 14.621 ( 0.000 0.000 0.815) 0.815 14.643 ( 0.000 0.000 -0.962) 0.962 14.690 ( 0.000 0.000 0.232) 0.232 14.692 ( 0.000 0.000 0.120) 0.120 14.927 ( 0.000 0.000 2.955) 2.955 14.967 ( 0.000 0.000 -0.268) 0.268 14.969 ( 0.000 0.000 -0.213) 0.213 14.995 ( 0.000 0.000 -4.340) 4.340 15.063 ( 0.000 0.000 -0.153) 0.153 15.065 ( 0.000 0.000 -0.176) 0.176 15.305 ( 0.000 0.000 7.723) 7.723 15.456 ( 0.000 0.000 -8.079) 8.079 15.559 ( 0.000 0.000 0.789) 0.789 15.582 ( 0.000 0.000 -1.618) 1.618 15.934 ( 0.000 0.000 1.578) 1.578 15.974 ( 0.000 0.000 -2.521) 2.521 16.423 ( 0.000 0.000 4.713) 4.713 16.507 ( 0.000 0.000 -4.052) 4.052 16.652 ( 0.000 0.000 8.643) 8.643 16.827 ( 0.000 0.000 -9.764) 9.764 18.888 ( 0.000 0.000 13.645) 13.645 19.012 ( 0.000 0.000 13.189) 13.189 19.132 ( 0.000 0.000 -11.220) 11.220 19.254 ( 0.000 0.000 -11.648) 11.648 20.556 ( 0.000 0.000 3.852) 3.852 20.684 ( 0.000 0.000 -9.199) 9.199 20.754 ( 0.000 0.000 1.771) 1.771 20.813 ( 0.000 0.000 -3.814) 3.814 21.099 ( 0.000 0.000 10.682) 10.682 21.268 ( 0.000 0.000 -7.106) 7.106 21.414 ( 0.000 0.000 3.969) 3.969 21.466 ( 0.000 0.000 -1.552) 1.552 21.802 ( 0.000 0.000 1.490) 1.490 21.808 ( 0.000 0.000 3.158) 3.158 21.834 ( 0.000 0.000 -1.905) 1.905 21.866 ( 0.000 0.000 -2.939) 2.939 22.173 ( 0.000 0.000 2.370) 2.370 22.206 ( 0.000 0.000 -1.462) 1.462 22.411 ( 0.000 0.000 2.242) 2.242 22.447 ( 0.000 0.000 -1.479) 1.479 23.425 ( 0.000 0.000 1.796) 1.796 23.452 ( 0.000 0.000 0.426) 0.426 23.458 ( 0.000 0.000 -0.192) 0.192 23.464 ( 0.000 0.000 -1.882) 1.882 23.706 ( 0.000 0.000 1.552) 1.552 23.734 ( 0.000 0.000 0.898) 0.898 23.746 ( 0.000 0.000 -2.431) 2.431 23.754 ( 0.000 0.000 -1.258) 1.258 24.204 ( 0.000 0.000 2.277) 2.277 24.217 ( 0.000 0.000 0.294) 0.294 24.221 ( 0.000 0.000 -0.150) 0.150 24.277 ( 0.000 0.000 -5.775) 5.775 24.995 ( 0.000 0.000 2.428) 2.428 25.021 ( 0.000 0.000 -0.226) 0.226 25.037 ( 0.000 0.000 0.752) 0.752 25.049 ( 0.000 0.000 -0.476) 0.476 25.881 ( 0.000 0.000 1.436) 1.436 25.908 ( 0.000 0.000 -1.311) 1.311 25.989 ( 0.000 0.000 1.217) 1.217 26.009 ( 0.000 0.000 -0.817) 0.817 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 9.952 0.000 20.707) 22.974 1.263 ( 13.603 0.000 16.839) 21.647 1.404 ( 3.879 0.000 -14.747) 15.249 1.413 ( 8.229 0.000 -0.211) 8.232 1.565 ( -3.661 0.000 5.496) 6.604 1.659 ( -4.185 0.000 2.115) 4.689 1.669 ( -5.893 0.000 0.692) 5.933 1.726 ( -1.980 0.000 -5.363) 5.717 1.832 ( 13.046 0.000 -3.415) 13.486 1.915 ( 1.130 0.000 5.623) 5.736 1.950 ( 1.932 0.000 -10.014) 10.199 2.024 ( 3.175 0.000 -6.035) 6.819 2.378 ( 1.244 0.000 5.564) 5.701 2.378 ( 3.652 0.000 22.141) 22.440 2.478 ( -1.490 0.000 -5.320) 5.524 2.504 ( -3.312 0.000 4.578) 5.650 2.564 ( -1.413 0.000 9.529) 9.633 2.811 ( 1.015 0.000 1.777) 2.047 2.837 ( 5.479 0.000 3.347) 6.421 2.848 ( -1.646 0.000 13.582) 13.681 2.950 ( -6.069 0.000 9.108) 10.945 3.111 ( 2.857 0.000 -18.075) 18.299 3.146 ( -4.535 0.000 8.163) 9.338 3.200 ( 1.347 0.000 2.178) 2.561 3.226 ( -2.767 0.000 1.300) 3.057 3.289 ( 3.875 0.000 -6.797) 7.824 3.379 ( 5.825 0.000 7.378) 9.400 3.469 ( -6.925 0.000 0.637) 6.954 3.522 ( -4.986 0.000 -8.005) 9.431 3.610 ( -3.939 0.000 -0.219) 3.945 3.650 ( 3.455 0.000 -13.723) 14.151 3.752 ( -5.802 0.000 -2.694) 6.397 3.843 ( 2.590 0.000 2.210) 3.404 3.881 ( 2.509 0.000 0.980) 2.693 3.944 ( -3.920 0.000 -5.223) 6.530 3.947 ( 2.797 0.000 -1.476) 3.163 3.985 ( -2.308 0.000 -7.246) 7.605 4.057 ( 3.891 0.000 -10.679) 11.366 4.174 ( -5.619 0.000 1.897) 5.930 4.233 ( -3.753 0.000 -2.728) 4.640 4.400 ( 2.174 0.000 2.806) 3.550 4.443 ( 4.824 0.000 1.823) 5.157 4.453 ( 2.844 0.000 -2.947) 4.095 4.495 ( 0.649 0.000 -3.971) 4.023 4.625 ( 0.271 0.000 4.291) 4.299 4.659 ( 0.737 0.000 0.382) 0.830 4.733 ( -7.805 0.000 2.843) 8.306 4.789 ( -7.134 0.000 -2.252) 7.482 4.935 ( -0.930 0.000 3.920) 4.029 4.937 ( -1.540 0.000 5.007) 5.239 5.014 ( 2.605 0.000 -3.143) 4.082 5.076 ( -0.710 0.000 -8.533) 8.563 5.160 ( 5.193 0.000 2.706) 5.856 5.223 ( 5.373 0.000 -2.963) 6.136 5.321 ( -1.586 0.000 2.665) 3.102 5.371 ( -1.007 0.000 -0.753) 1.257 5.488 ( -0.653 0.000 5.490) 5.529 5.515 ( -3.591 0.000 4.274) 5.582 5.568 ( -0.918 0.000 -0.230) 0.947 5.590 ( 1.815 0.000 -3.968) 4.363 5.697 ( -4.412 0.000 3.279) 5.497 5.722 ( 0.171 0.000 1.938) 1.945 5.774 ( -4.380 0.000 -3.529) 5.625 5.796 ( -4.571 0.000 -1.519) 4.817 5.912 ( 0.171 0.000 -2.365) 2.371 5.951 ( 2.555 0.000 -6.205) 6.711 5.989 ( 2.154 0.000 3.161) 3.825 6.030 ( 0.947 0.000 -1.123) 1.469 6.108 ( 1.804 0.000 1.067) 2.096 6.159 ( 1.185 0.000 4.587) 4.737 6.211 ( 0.758 0.000 -8.248) 8.283 6.238 ( 3.728 0.000 -3.537) 5.139 6.455 ( 0.411 0.000 5.791) 5.806 6.549 ( -1.486 0.000 5.574) 5.769 6.554 ( 4.303 0.000 -3.263) 5.401 6.637 ( 1.168 0.000 -2.268) 2.551 6.842 ( 1.931 0.000 4.978) 5.340 6.931 ( 1.720 0.000 5.414) 5.681 6.941 ( 4.096 0.000 -4.365) 5.986 6.978 ( 0.821 0.000 1.734) 1.919 7.010 ( -3.303 0.000 2.252) 3.997 7.164 ( 2.325 0.000 -9.619) 9.896 7.195 ( -8.161 0.000 8.592) 11.850 7.381 ( -5.773 0.000 -9.169) 10.835 7.740 ( 1.170 0.000 0.456) 1.256 7.792 ( -0.700 0.000 -3.607) 3.674 7.824 ( -4.755 0.000 1.993) 5.156 7.882 ( -2.880 0.000 -3.664) 4.661 8.218 ( 3.982 0.000 6.998) 8.052 8.236 ( 1.057 0.000 7.036) 7.115 8.347 ( 1.352 0.000 -5.353) 5.521 8.357 ( 1.993 0.000 -4.594) 5.008 8.553 ( 0.868 0.000 5.239) 5.311 8.644 ( -5.596 0.000 7.097) 9.038 8.697 ( 1.343 0.000 -8.666) 8.770 8.819 ( -2.103 0.000 -9.632) 9.859 8.993 ( -2.466 0.000 9.247) 9.570 9.000 ( 0.391 0.000 4.314) 4.331 9.075 ( 1.625 0.000 -1.972) 2.555 9.130 ( -1.517 0.000 -4.407) 4.661 9.389 ( 3.440 0.000 5.486) 6.476 9.461 ( 1.108 0.000 -2.368) 2.615 9.503 ( -1.863 0.000 6.496) 6.758 9.609 ( -3.158 0.000 -4.002) 5.098 9.869 ( 6.282 0.000 7.739) 9.968 10.001 ( 7.459 0.000 -4.697) 8.814 10.287 ( -11.683 0.000 6.430) 13.335 10.368 ( -10.358 0.000 -1.942) 10.538 10.696 ( 1.621 0.000 4.935) 5.194 10.794 ( 5.819 0.000 -5.136) 7.761 10.870 ( -5.374 0.000 7.675) 9.370 11.015 ( -4.538 0.000 -7.619) 8.868 12.189 ( 0.572 0.000 3.349) 3.398 12.196 ( 0.246 0.000 5.264) 5.270 12.253 ( 1.777 0.000 -3.357) 3.798 12.296 ( -0.312 0.000 -5.197) 5.206 13.086 ( 1.961 0.000 4.568) 4.972 13.126 ( 0.562 0.000 6.259) 6.284 13.174 ( 3.189 0.000 -4.786) 5.751 13.241 ( 1.522 0.000 -5.800) 5.996 13.445 ( 0.166 0.000 0.945) 0.960 13.473 ( 0.428 0.000 -2.047) 2.091 13.486 ( -1.513 0.000 2.697) 3.092 13.528 ( -0.702 0.000 -1.241) 1.426 13.671 ( 4.130 0.000 4.007) 5.754 13.748 ( 6.011 0.000 -3.736) 7.078 14.005 ( -7.230 0.000 2.640) 7.697 14.042 ( -4.373 0.000 -0.894) 4.463 14.251 ( -3.750 0.000 1.568) 4.065 14.254 ( -1.697 0.000 1.368) 2.180 14.284 ( -0.739 0.000 -1.734) 1.885 14.293 ( -2.682 0.000 -2.457) 3.637 14.627 ( 0.643 0.000 1.479) 1.613 14.660 ( 1.483 0.000 -1.773) 2.311 14.667 ( -1.248 0.000 1.735) 2.137 14.700 ( -0.107 0.000 -1.714) 1.718 14.918 ( -0.700 0.000 4.419) 4.474 14.922 ( -0.337 0.000 3.686) 3.701 15.000 ( 0.893 0.000 -3.564) 3.674 15.003 ( 0.550 0.000 -4.663) 4.696 15.127 ( 5.444 0.000 4.085) 6.807 15.248 ( 11.781 0.000 -9.108) 14.891 15.286 ( -1.970 0.000 8.143) 8.378 15.448 ( -0.985 0.000 -8.734) 8.789 15.633 ( 7.053 0.000 0.926) 7.114 15.664 ( 7.816 0.000 -2.722) 8.276 15.897 ( -3.939 0.000 1.424) 4.189 15.937 ( -3.878 0.000 -2.840) 4.807 16.455 ( 3.234 0.000 5.465) 6.350 16.563 ( 5.489 0.000 -6.218) 8.295 16.619 ( -3.310 0.000 8.270) 8.908 16.791 ( -3.755 0.000 -9.961) 10.645 18.905 ( 1.691 0.000 13.503) 13.609 18.993 ( -1.860 0.000 13.092) 13.224 19.143 ( 1.184 0.000 -10.687) 10.753 19.225 ( -2.503 0.000 -10.374) 10.672 20.580 ( 2.550 0.000 4.482) 5.157 20.719 ( -3.234 0.000 3.415) 4.703 20.722 ( 3.389 0.000 -9.971) 10.532 20.813 ( -0.388 0.000 -5.800) 5.813 21.130 ( 3.153 0.000 9.736) 10.234 21.286 ( 2.054 0.000 -6.741) 7.047 21.335 ( -6.328 0.000 6.847) 9.323 21.436 ( -3.596 0.000 -4.199) 5.528 21.825 ( 1.974 0.000 1.652) 2.574 21.828 ( 1.713 0.000 3.366) 3.776 21.853 ( 1.848 0.000 -1.423) 2.333 21.888 ( 1.538 0.000 -2.985) 3.358 22.171 ( 0.096 0.000 3.031) 3.032 22.216 ( 1.279 0.000 -1.656) 2.092 22.326 ( -7.773 0.000 4.095) 8.786 22.372 ( -5.813 0.000 -0.799) 5.867 23.432 ( 0.592 0.000 1.738) 1.836 23.451 ( -0.142 0.000 0.943) 0.953 23.467 ( 0.527 0.000 -0.648) 0.835 23.467 ( 0.263 0.000 -1.658) 1.679 23.714 ( 0.726 0.000 1.535) 1.698 23.732 ( 0.040 0.000 1.337) 1.338 23.753 ( 0.669 0.000 -2.348) 2.441 23.766 ( 0.570 0.000 -1.969) 2.050 24.181 ( -1.280 0.000 3.972) 4.174 24.193 ( -0.979 0.000 2.822) 2.987 24.259 ( 1.474 0.000 -4.561) 4.793 24.276 ( -0.089 0.000 -6.157) 6.157 24.984 ( -0.976 0.000 2.632) 2.807 24.995 ( -2.805 0.000 2.558) 3.797 25.014 ( -0.606 0.000 -0.459) 0.760 25.027 ( -1.669 0.000 -0.867) 1.881 25.899 ( 1.904 0.000 2.223) 2.927 25.943 ( 2.542 0.000 -2.526) 3.584 25.976 ( -1.307 0.000 1.558) 2.034 26.003 ( -0.618 0.000 -1.258) 1.402 ======================= Grid point 92 (33/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -9.620 0.000 13.434) 16.524 1.289 ( 9.620 0.000 13.434) 16.524 1.464 ( -0.072 0.000 -1.264) 1.266 1.464 ( 0.072 0.000 -1.264) 1.266 1.576 ( -2.290 0.000 1.312) 2.639 1.576 ( 2.290 0.000 1.312) 2.639 1.651 ( -5.362 0.000 -5.742) 7.856 1.651 ( 5.362 0.000 -5.742) 7.856 1.931 ( -0.012 0.000 3.994) 3.994 1.931 ( 0.012 0.000 3.994) 3.994 2.068 ( -0.386 0.000 -8.388) 8.396 2.068 ( 0.386 0.000 -8.388) 8.396 2.399 ( -0.799 0.000 4.760) 4.827 2.399 ( 0.799 0.000 4.760) 4.827 2.441 ( -0.859 0.000 -1.061) 1.365 2.441 ( 0.859 0.000 -1.061) 1.365 2.732 ( -12.638 0.000 20.319) 23.929 2.732 ( 12.638 0.000 20.319) 23.929 2.841 ( -0.852 0.000 9.046) 9.086 2.841 ( 0.852 0.000 9.046) 9.086 2.972 ( -9.255 0.000 4.801) 10.426 2.972 ( 9.255 0.000 4.801) 10.426 3.193 ( -1.160 0.000 -6.289) 6.395 3.193 ( 1.160 0.000 -6.289) 6.395 3.286 ( -9.324 0.000 -1.068) 9.385 3.286 ( 9.324 0.000 -1.068) 9.385 3.392 ( -7.412 0.000 -10.773) 13.076 3.392 ( 7.412 0.000 -10.773) 13.076 3.494 ( -4.937 0.000 3.342) 5.962 3.494 ( 4.937 0.000 3.342) 5.962 3.698 ( -0.597 0.000 -8.424) 8.445 3.698 ( 0.597 0.000 -8.424) 8.445 3.887 ( -2.240 0.000 3.765) 4.381 3.887 ( 2.240 0.000 3.765) 4.381 3.935 ( -2.862 0.000 -1.959) 3.468 3.935 ( 2.862 0.000 -1.959) 3.468 4.051 ( -5.288 0.000 -0.997) 5.381 4.051 ( 5.288 0.000 -0.997) 5.381 4.142 ( -2.930 0.000 -10.037) 10.456 4.142 ( 2.930 0.000 -10.037) 10.456 4.457 ( -0.720 0.000 2.339) 2.447 4.457 ( 0.720 0.000 2.339) 2.447 4.511 ( -1.930 0.000 -2.947) 3.523 4.511 ( 1.930 0.000 -2.947) 3.523 4.635 ( -1.389 0.000 3.555) 3.817 4.635 ( 1.389 0.000 3.555) 3.817 4.686 ( -2.777 0.000 -1.383) 3.102 4.686 ( 2.777 0.000 -1.383) 3.102 4.914 ( -0.003 0.000 5.660) 5.660 4.914 ( 0.003 0.000 5.660) 5.660 5.051 ( -0.576 0.000 -6.997) 7.021 5.051 ( 0.576 0.000 -6.997) 7.021 5.260 ( -3.177 0.000 3.250) 4.545 5.260 ( 3.177 0.000 3.250) 4.545 5.326 ( -2.624 0.000 -2.935) 3.937 5.326 ( 2.624 0.000 -2.935) 3.937 5.480 ( -0.005 0.000 6.661) 6.661 5.480 ( 0.005 0.000 6.661) 6.661 5.589 ( -0.254 0.000 -3.559) 3.568 5.589 ( 0.254 0.000 -3.559) 3.568 5.682 ( -0.910 0.000 0.733) 1.169 5.682 ( 0.910 0.000 0.733) 1.169 5.717 ( -0.191 0.000 -2.324) 2.332 5.717 ( 0.191 0.000 -2.324) 2.332 5.967 ( -3.584 0.000 1.163) 3.768 5.967 ( 3.584 0.000 1.163) 3.768 6.008 ( -1.720 0.000 -2.359) 2.920 6.008 ( 1.720 0.000 -2.359) 2.920 6.154 ( -0.873 0.000 2.757) 2.892 6.154 ( 0.873 0.000 2.757) 2.892 6.253 ( -0.824 0.000 -6.888) 6.937 6.253 ( 0.824 0.000 -6.888) 6.937 6.493 ( -1.023 0.000 6.980) 7.054 6.493 ( 1.023 0.000 6.980) 7.054 6.638 ( -1.105 0.000 -8.185) 8.259 6.638 ( 1.105 0.000 -8.185) 8.259 6.895 ( -1.509 0.000 7.176) 7.332 6.895 ( 1.509 0.000 7.176) 7.332 6.991 ( -0.000 0.000 -0.193) 0.193 6.991 ( 0.000 0.000 -0.193) 0.193 7.044 ( -5.197 0.000 7.911) 9.465 7.044 ( 5.197 0.000 7.911) 9.465 7.247 ( -6.576 0.000 -9.093) 11.222 7.247 ( 6.576 0.000 -9.093) 11.222 7.758 ( -0.811 0.000 1.291) 1.525 7.758 ( 0.811 0.000 1.291) 1.525 7.818 ( -3.079 0.000 -3.864) 4.941 7.818 ( 3.079 0.000 -3.864) 4.941 8.254 ( -0.008 0.000 7.223) 7.223 8.254 ( 0.008 0.000 7.223) 7.223 8.379 ( -0.041 0.000 -5.374) 5.374 8.379 ( 0.041 0.000 -5.374) 5.374 8.567 ( -1.229 0.000 7.923) 8.018 8.567 ( 1.229 0.000 7.923) 8.018 8.749 ( -3.138 0.000 -10.835) 11.281 8.749 ( 3.138 0.000 -10.835) 11.281 8.988 ( -0.892 0.000 7.362) 7.416 8.988 ( 0.892 0.000 7.362) 7.416 9.099 ( -0.557 0.000 -3.000) 3.051 9.099 ( 0.557 0.000 -3.000) 3.051 9.458 ( -1.874 0.000 5.109) 5.441 9.458 ( 1.874 0.000 5.109) 5.441 9.523 ( -5.213 0.000 -1.144) 5.337 9.523 ( 5.213 0.000 -1.144) 5.337 10.043 ( -9.474 0.000 7.871) 12.317 10.043 ( 9.474 0.000 7.871) 12.317 10.176 ( -7.295 0.000 -5.405) 9.079 10.176 ( 7.295 0.000 -5.405) 9.079 10.762 ( -4.965 0.000 8.353) 9.717 10.762 ( 4.965 0.000 8.353) 9.717 10.912 ( -6.057 0.000 -7.428) 9.585 10.912 ( 6.057 0.000 -7.428) 9.585 12.197 ( -0.005 0.000 4.468) 4.468 12.197 ( 0.005 0.000 4.468) 4.468 12.284 ( -0.185 0.000 -4.566) 4.569 12.284 ( 0.185 0.000 -4.566) 4.569 13.121 ( -1.049 0.000 6.138) 6.227 13.121 ( 1.049 0.000 6.138) 6.227 13.232 ( -2.003 0.000 -5.455) 5.811 13.232 ( 2.003 0.000 -5.455) 5.811 13.459 ( -0.239 0.000 1.509) 1.528 13.459 ( 0.239 0.000 1.509) 1.528 13.497 ( -0.617 0.000 -2.580) 2.653 13.497 ( 0.617 0.000 -2.580) 2.653 13.818 ( -10.332 0.000 4.751) 11.372 13.818 ( 10.332 0.000 4.751) 11.372 13.898 ( -9.045 0.000 -3.501) 9.699 13.898 ( 9.045 0.000 -3.501) 9.699 14.225 ( -0.348 0.000 2.135) 2.163 14.225 ( 0.348 0.000 2.135) 2.163 14.271 ( -0.038 0.000 -2.518) 2.519 14.271 ( 0.038 0.000 -2.518) 2.519 14.645 ( -0.210 0.000 2.110) 2.121 14.645 ( 0.210 0.000 2.110) 2.121 14.688 ( -0.273 0.000 -2.359) 2.375 14.688 ( 0.273 0.000 -2.359) 2.375 14.917 ( -0.002 0.000 4.548) 4.549 14.917 ( 0.002 0.000 4.548) 4.549 15.009 ( -0.000 0.000 -4.637) 4.637 15.009 ( 0.000 0.000 -4.637) 4.637 15.227 ( -3.957 0.000 7.933) 8.865 15.227 ( 3.957 0.000 7.933) 8.865 15.402 ( -2.839 0.000 -10.258) 10.644 15.402 ( 2.839 0.000 -10.258) 10.644 15.785 ( -6.838 0.000 1.112) 6.928 15.785 ( 6.838 0.000 1.112) 6.928 15.826 ( -6.505 0.000 -3.689) 7.478 15.826 ( 6.505 0.000 -3.689) 7.478 16.537 ( -2.291 0.000 7.047) 7.410 16.537 ( 2.291 0.000 7.047) 7.410 16.688 ( -4.810 0.000 -9.366) 10.529 16.688 ( 4.810 0.000 -9.366) 10.529 18.948 ( -2.350 0.000 13.201) 13.408 18.948 ( 2.350 0.000 13.201) 13.408 19.177 ( -2.244 0.000 -9.792) 10.046 19.177 ( 2.244 0.000 -9.792) 10.046 20.646 ( -3.135 0.000 4.859) 5.783 20.646 ( 3.135 0.000 4.859) 5.783 20.785 ( -1.025 0.000 -9.134) 9.191 20.785 ( 1.025 0.000 -9.134) 9.191 21.215 ( -4.386 0.000 8.787) 9.821 21.215 ( 4.386 0.000 8.787) 9.821 21.351 ( -2.541 0.000 -5.851) 6.379 21.351 ( 2.541 0.000 -5.851) 6.379 21.849 ( -0.000 0.000 2.538) 2.538 21.849 ( 0.000 0.000 2.538) 2.538 21.893 ( -0.177 0.000 -2.048) 2.056 21.893 ( 0.177 0.000 -2.048) 2.056 22.201 ( -3.888 0.000 5.130) 6.437 22.201 ( 3.888 0.000 5.130) 6.437 22.267 ( -4.334 0.000 -1.834) 4.706 22.267 ( 4.334 0.000 -1.834) 4.706 23.444 ( -0.026 0.000 1.505) 1.506 23.444 ( 0.026 0.000 1.505) 1.506 23.471 ( -0.001 0.000 -1.165) 1.165 23.471 ( 0.001 0.000 -1.165) 1.165 23.729 ( -0.109 0.000 1.445) 1.449 23.729 ( 0.109 0.000 1.445) 1.449 23.766 ( -0.096 0.000 -2.176) 2.178 23.766 ( 0.096 0.000 -2.176) 2.178 24.175 ( -0.172 0.000 4.091) 4.095 24.175 ( 0.172 0.000 4.091) 4.095 24.274 ( -0.021 0.000 -6.450) 6.451 24.274 ( 0.021 0.000 -6.450) 6.451 24.969 ( -0.001 0.000 3.087) 3.087 24.969 ( 0.001 0.000 3.087) 3.087 25.007 ( -0.003 0.000 -0.933) 0.933 25.007 ( 0.003 0.000 -0.933) 0.933 25.941 ( -1.320 0.000 2.167) 2.537 25.941 ( 1.320 0.000 2.167) 2.537 25.983 ( -0.822 0.000 -2.205) 2.354 25.983 ( 0.822 0.000 -2.205) 2.354 ======================= Grid point 95 (34/45) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 6.741 18.243) 19.449 1.228 ( 0.000 17.321 12.666) 21.458 1.358 ( 0.000 8.453 3.982) 9.344 1.576 ( 0.000 8.074 -4.520) 9.253 1.592 ( 0.000 8.873 -4.210) 9.821 1.683 ( 0.000 2.932 -4.162) 5.091 1.750 ( 0.000 1.343 -4.388) 4.588 1.777 ( 0.000 6.710 -1.130) 6.805 1.869 ( 0.000 2.388 3.843) 4.525 1.985 ( 0.000 -0.323 -7.605) 7.611 1.996 ( 0.000 15.824 6.054) 16.943 2.123 ( 0.000 12.811 -6.032) 14.160 2.302 ( 0.000 0.159 11.175) 11.176 2.416 ( 0.000 -6.926 -3.032) 7.561 2.433 ( 0.000 3.798 16.836) 17.259 2.543 ( 0.000 -0.279 0.730) 0.782 2.624 ( 0.000 -0.717 9.194) 9.222 2.755 ( 0.000 2.974 5.391) 6.157 2.796 ( 0.000 -0.658 1.891) 2.002 2.889 ( 0.000 0.947 5.191) 5.276 2.945 ( 0.000 -9.876 -0.611) 9.895 2.986 ( 0.000 -4.430 12.853) 13.595 3.071 ( 0.000 -7.455 1.332) 7.573 3.143 ( 0.000 -0.650 -5.248) 5.288 3.287 ( 0.000 -1.182 -4.101) 4.268 3.290 ( 0.000 1.040 -4.546) 4.664 3.360 ( 0.000 1.269 6.070) 6.202 3.472 ( 0.000 -3.698 -9.144) 9.864 3.531 ( 0.000 1.476 3.110) 3.442 3.611 ( 0.000 -3.000 5.314) 6.102 3.688 ( 0.000 -2.906 -5.520) 6.238 3.695 ( 0.000 1.166 -0.147) 1.175 3.792 ( 0.000 -4.932 -4.573) 6.726 3.817 ( 0.000 -3.316 -1.841) 3.792 3.876 ( 0.000 -1.548 0.596) 1.659 3.951 ( 0.000 -5.034 -13.488) 14.397 4.048 ( 0.000 -2.011 -4.144) 4.607 4.064 ( 0.000 0.194 -6.357) 6.360 4.180 ( 0.000 -1.096 -1.891) 2.185 4.222 ( 0.000 -1.287 -4.810) 4.979 4.416 ( 0.000 1.927 0.274) 1.947 4.417 ( 0.000 5.319 0.384) 5.332 4.443 ( 0.000 4.312 4.045) 5.913 4.520 ( 0.000 -0.020 -3.147) 3.147 4.603 ( 0.000 -0.382 4.380) 4.397 4.665 ( 0.000 2.171 -1.795) 2.817 4.795 ( 0.000 -6.683 0.955) 6.751 4.827 ( 0.000 -4.982 -1.764) 5.285 4.927 ( 0.000 1.194 -1.417) 1.853 4.931 ( 0.000 -3.545 -0.911) 3.660 4.997 ( 0.000 1.980 6.268) 6.573 5.126 ( 0.000 2.365 -5.936) 6.389 5.171 ( 0.000 5.718 3.226) 6.565 5.201 ( 0.000 4.519 -0.400) 4.537 5.359 ( 0.000 -2.550 0.762) 2.662 5.364 ( 0.000 -3.438 -0.547) 3.481 5.445 ( 0.000 1.272 2.508) 2.813 5.478 ( 0.000 0.819 -1.469) 1.682 5.604 ( 0.000 -7.516 1.043) 7.588 5.626 ( 0.000 -3.766 -0.176) 3.770 5.710 ( 0.000 -1.630 1.239) 2.047 5.713 ( 0.000 2.634 3.511) 4.389 5.835 ( 0.000 2.476 -2.916) 3.826 5.840 ( 0.000 3.768 -0.497) 3.800 5.883 ( 0.000 2.430 -0.832) 2.569 5.926 ( 0.000 0.528 -3.280) 3.323 6.005 ( 0.000 -0.678 -3.467) 3.532 6.022 ( 0.000 1.049 -2.933) 3.115 6.121 ( 0.000 2.960 3.018) 4.227 6.181 ( 0.000 3.007 -0.367) 3.029 6.254 ( 0.000 5.060 2.118) 5.485 6.283 ( 0.000 7.378 -2.818) 7.898 6.390 ( 0.000 -4.572 4.029) 6.093 6.422 ( 0.000 -1.900 0.539) 1.975 6.650 ( 0.000 -0.727 -0.127) 0.738 6.664 ( 0.000 3.213 0.841) 3.321 6.834 ( 0.000 -1.036 1.430) 1.766 6.835 ( 0.000 2.346 1.666) 2.877 6.944 ( 0.000 2.586 5.349) 5.942 7.031 ( 0.000 2.717 0.503) 2.763 7.160 ( 0.000 4.913 -6.173) 7.889 7.188 ( 0.000 9.668 -5.033) 10.900 7.354 ( 0.000 6.936 7.957) 10.556 7.525 ( 0.000 7.108 -8.634) 11.184 7.670 ( 0.000 -4.670 1.090) 4.795 7.728 ( 0.000 -5.614 -4.930) 7.472 7.913 ( 0.000 0.730 1.239) 1.438 7.941 ( 0.000 3.256 -1.348) 3.524 8.170 ( 0.000 1.172 6.732) 6.834 8.260 ( 0.000 -4.172 -3.713) 5.585 8.267 ( 0.000 4.166 6.388) 7.626 8.389 ( 0.000 2.346 -4.937) 5.467 8.522 ( 0.000 -1.094 6.190) 6.286 8.679 ( 0.000 -1.296 -8.130) 8.232 8.770 ( 0.000 -3.224 3.916) 5.072 8.777 ( 0.000 2.901 3.542) 4.579 8.942 ( 0.000 -2.060 -2.788) 3.466 8.969 ( 0.000 -5.695 -5.216) 7.723 9.098 ( 0.000 2.503 4.455) 5.109 9.175 ( 0.000 1.572 -1.785) 2.378 9.327 ( 0.000 -2.621 5.998) 6.546 9.423 ( 0.000 -2.464 -4.177) 4.849 9.536 ( 0.000 0.771 4.009) 4.083 9.610 ( 0.000 -2.360 -3.080) 3.881 9.812 ( 0.000 0.031 6.084) 6.084 9.897 ( 0.000 -2.184 -2.313) 3.181 10.290 ( 0.000 -8.618 6.012) 10.508 10.379 ( 0.000 -10.055 -2.218) 10.297 10.627 ( 0.000 -8.376 0.697) 8.405 10.635 ( 0.000 -7.992 -0.404) 8.003 10.914 ( 0.000 -1.199 5.901) 6.022 11.034 ( 0.000 -3.248 -6.454) 7.225 12.136 ( 0.000 -2.299 3.193) 3.935 12.200 ( 0.000 -2.375 -3.659) 4.362 12.251 ( 0.000 3.595 4.596) 5.835 12.333 ( 0.000 2.637 -3.875) 4.687 13.114 ( 0.000 1.004 3.479) 3.621 13.143 ( 0.000 3.781 3.279) 5.005 13.161 ( 0.000 0.745 -2.493) 2.602 13.230 ( 0.000 2.184 -4.489) 4.992 13.386 ( 0.000 -5.666 0.151) 5.668 13.390 ( 0.000 -6.516 -0.186) 6.518 13.518 ( 0.000 0.317 2.947) 2.964 13.547 ( 0.000 1.779 -0.040) 1.779 13.658 ( 0.000 0.613 0.478) 0.777 13.689 ( 0.000 1.022 -2.510) 2.710 14.066 ( 0.000 -0.478 1.218) 1.308 14.077 ( 0.000 -0.010 -0.085) 0.085 14.241 ( 0.000 -4.051 1.275) 4.247 14.259 ( 0.000 -1.503 -0.434) 1.564 14.309 ( 0.000 -0.672 0.258) 0.720 14.319 ( 0.000 -0.858 -0.989) 1.310 14.538 ( 0.000 -4.525 0.601) 4.565 14.539 ( 0.000 -5.807 0.582) 5.836 14.699 ( 0.000 -3.843 0.073) 3.844 14.714 ( 0.000 -6.105 -0.611) 6.135 14.823 ( 0.000 -0.615 -0.242) 0.661 14.838 ( 0.000 -3.025 -1.614) 3.428 15.024 ( 0.000 -1.395 0.977) 1.703 15.040 ( 0.000 -1.337 -1.041) 1.695 15.089 ( 0.000 5.256 1.761) 5.544 15.130 ( 0.000 3.263 -2.463) 4.088 15.285 ( 0.000 -1.072 6.838) 6.921 15.410 ( 0.000 -2.697 -6.457) 6.998 15.591 ( 0.000 3.517 1.288) 3.746 15.617 ( 0.000 3.932 -1.217) 4.116 16.123 ( 0.000 12.390 -0.852) 12.419 16.145 ( 0.000 15.745 -4.240) 16.306 16.449 ( 0.000 3.193 3.712) 4.896 16.527 ( 0.000 2.168 -4.062) 4.604 16.710 ( 0.000 5.014 6.744) 8.404 16.851 ( 0.000 2.049 -8.124) 8.379 18.916 ( 0.000 2.688 13.338) 13.606 19.029 ( 0.000 1.653 12.286) 12.397 19.151 ( 0.000 1.750 -10.561) 10.705 19.240 ( 0.000 -1.372 -9.079) 9.182 20.540 ( 0.000 -1.507 3.698) 3.993 20.661 ( 0.000 -2.383 -8.305) 8.640 20.738 ( 0.000 -1.603 1.802) 2.412 20.810 ( 0.000 -0.321 -5.200) 5.210 21.098 ( 0.000 -0.481 8.794) 8.807 21.195 ( 0.000 -6.804 -1.715) 7.017 21.330 ( 0.000 -7.968 4.148) 8.984 21.445 ( 0.000 -2.524 -7.172) 7.603 21.716 ( 0.000 -5.045 3.260) 6.007 21.750 ( 0.000 -4.821 -0.851) 4.895 21.853 ( 0.000 1.173 3.545) 3.734 21.911 ( 0.000 1.026 -2.189) 2.417 22.093 ( 0.000 -6.257 2.465) 6.725 22.132 ( 0.000 -6.206 -2.017) 6.525 22.346 ( 0.000 -6.325 1.636) 6.533 22.373 ( 0.000 -6.724 -1.253) 6.840 23.113 ( 0.000 -15.714 9.083) 18.151 23.250 ( 0.000 -12.386 -5.449) 13.532 23.263 ( 0.000 -9.236 4.336) 10.204 23.328 ( 0.000 -7.326 -2.628) 7.783 23.861 ( 0.000 3.379 0.409) 3.404 23.889 ( 0.000 2.128 -2.645) 3.395 23.960 ( 0.000 11.943 0.146) 11.944 23.972 ( 0.000 13.724 -1.389) 13.794 24.242 ( 0.000 7.055 1.655) 7.246 24.280 ( 0.000 6.423 -1.703) 6.645 24.371 ( 0.000 10.189 -1.466) 10.294 24.397 ( 0.000 14.382 -3.863) 14.892 24.894 ( 0.000 -5.113 1.774) 5.412 24.921 ( 0.000 -4.599 -1.080) 4.725 25.133 ( 0.000 4.704 1.138) 4.840 25.138 ( 0.000 4.688 0.390) 4.704 25.870 ( 0.000 -0.347 1.432) 1.473 25.898 ( 0.000 -0.484 -1.644) 1.714 26.030 ( 0.000 3.018 0.142) 3.022 26.034 ( 0.000 2.132 -0.125) 2.135 ======================= Grid point 96 (35/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 8.320 10.996 13.388) 19.220 1.346 ( 10.774 8.604 7.860) 15.871 1.452 ( 8.609 7.917 4.889) 12.677 1.570 ( -1.609 6.379 -0.013) 6.579 1.615 ( 1.502 6.405 -1.926) 6.855 1.693 ( -0.795 5.451 -3.705) 6.639 1.728 ( -1.811 3.161 -2.897) 4.655 1.830 ( -0.541 9.539 -1.748) 9.713 1.892 ( 2.633 5.434 0.870) 6.100 1.947 ( -0.487 3.670 -0.966) 3.826 2.033 ( 5.405 6.545 -2.754) 8.924 2.123 ( 1.654 11.668 -6.387) 13.404 2.344 ( 3.417 -0.648 7.561) 8.322 2.399 ( -0.170 -3.648 2.285) 4.308 2.463 ( 0.699 1.856 7.422) 7.683 2.528 ( -1.514 0.762 0.599) 1.798 2.600 ( 1.284 4.265 16.197) 16.799 2.744 ( -2.636 -2.829 7.767) 8.676 2.797 ( 1.750 -1.616 4.335) 4.947 2.881 ( -2.393 -4.226 6.227) 7.897 2.927 ( 0.599 -0.639 1.378) 1.633 2.990 ( -1.212 -4.443 9.849) 10.873 3.100 ( 1.907 -7.286 -0.991) 7.596 3.157 ( 1.241 -1.753 -3.147) 3.810 3.248 ( -2.545 0.750 0.673) 2.737 3.294 ( 1.279 -1.268 -7.045) 7.271 3.405 ( 1.625 0.652 -0.775) 1.915 3.468 ( -2.488 -2.193 -4.593) 5.665 3.499 ( -3.422 -0.574 1.017) 3.616 3.563 ( -2.239 -1.382 3.605) 4.463 3.679 ( -1.804 2.045 -5.223) 5.893 3.698 ( -2.327 -2.688 -5.139) 6.248 3.772 ( 0.329 -7.789 -0.369) 7.805 3.838 ( -2.433 -4.638 1.709) 5.509 3.853 ( -0.145 -3.673 -7.037) 7.940 3.910 ( 0.824 -1.644 -3.078) 3.586 4.027 ( -0.943 -0.726 -3.925) 4.102 4.091 ( 2.161 0.104 -10.192) 10.419 4.146 ( -3.013 -0.574 0.644) 3.134 4.223 ( -1.282 -0.098 -5.651) 5.795 4.401 ( 0.513 2.929 2.506) 3.889 4.439 ( 1.765 1.048 0.307) 2.075 4.471 ( 1.983 1.633 -0.252) 2.581 4.519 ( -0.748 -0.078 -4.739) 4.799 4.616 ( 1.932 0.758 4.995) 5.409 4.666 ( -0.037 1.542 -0.887) 1.780 4.744 ( -4.019 -2.588 1.356) 4.969 4.801 ( -3.831 -2.598 -4.129) 6.203 4.888 ( -1.153 0.148 4.772) 4.911 4.961 ( 1.267 -0.760 1.015) 1.793 5.001 ( -0.158 1.295 1.273) 1.823 5.113 ( -0.645 2.374 -6.232) 6.700 5.192 ( 2.470 0.653 2.370) 3.485 5.236 ( 2.138 1.785 -0.484) 2.827 5.320 ( -3.207 -1.722 2.525) 4.430 5.363 ( -0.143 -2.822 -1.532) 3.214 5.425 ( -2.419 0.467 0.797) 2.590 5.478 ( -1.508 -1.168 -2.807) 3.394 5.552 ( -0.591 -4.457 0.886) 4.583 5.586 ( -1.875 -4.021 -1.396) 4.651 5.672 ( -2.843 1.647 3.891) 5.093 5.735 ( 0.581 0.934 -1.433) 1.807 5.826 ( -0.376 3.744 3.231) 4.960 5.865 ( -1.210 3.862 0.857) 4.136 5.892 ( 2.198 -0.513 -1.503) 2.712 5.957 ( 0.658 0.319 -4.455) 4.514 6.002 ( -0.197 0.455 -0.431) 0.657 6.039 ( -1.064 1.834 -3.271) 3.898 6.115 ( 2.176 4.483 2.886) 5.759 6.189 ( -0.065 2.117 -0.153) 2.124 6.241 ( 3.203 2.547 -2.056) 4.579 6.275 ( -0.679 2.183 -3.313) 4.025 6.434 ( 2.744 0.690 5.165) 5.889 6.516 ( 6.220 0.241 -1.854) 6.495 6.623 ( -2.230 1.550 1.825) 3.272 6.685 ( 1.444 1.932 -2.426) 3.422 6.832 ( 1.187 1.205 4.114) 4.448 6.876 ( 2.280 -2.969 -0.583) 3.789 6.989 ( 4.070 2.311 5.580) 7.283 7.032 ( -0.557 4.841 1.131) 5.002 7.085 ( -3.218 5.747 1.729) 6.810 7.206 ( 0.606 6.230 -4.837) 7.910 7.300 ( -6.014 7.569 2.606) 10.012 7.422 ( -8.001 3.907 -7.575) 11.690 7.680 ( 1.330 -4.772 2.363) 5.489 7.767 ( 3.194 0.513 -6.085) 6.891 7.865 ( -4.755 1.778 2.408) 5.619 7.920 ( -2.214 3.425 -2.310) 4.687 8.185 ( 0.005 -2.285 4.937) 5.440 8.259 ( 2.181 -1.454 2.552) 3.659 8.299 ( 1.662 0.707 1.347) 2.253 8.398 ( 1.149 1.838 -3.558) 4.166 8.529 ( 0.692 -1.355 7.206) 7.365 8.661 ( -2.707 -1.046 -1.617) 3.322 8.707 ( 0.203 2.064 -2.571) 3.303 8.818 ( -3.118 -0.882 -8.367) 8.973 8.944 ( 1.933 -2.032 5.225) 5.930 8.988 ( 2.012 -1.714 2.484) 3.627 9.084 ( -1.754 0.719 0.299) 1.919 9.144 ( -2.341 0.718 -3.583) 4.340 9.363 ( 3.488 -2.294 5.860) 7.195 9.441 ( 1.570 -1.543 -1.091) 2.457 9.515 ( -1.535 0.478 3.406) 3.767 9.590 ( -2.158 -1.389 -3.314) 4.191 9.862 ( 5.051 -0.892 6.175) 8.028 9.965 ( 6.033 -3.298 -3.725) 7.820 10.221 ( -7.383 -5.786 6.392) 11.351 10.305 ( -5.467 -5.430 -2.007) 7.963 10.626 ( 1.915 -7.199 5.416) 9.210 10.711 ( 5.267 -7.966 -2.762) 9.941 10.849 ( -5.643 -1.887 5.082) 7.825 10.973 ( -5.408 -3.899 -7.014) 9.677 12.139 ( 0.205 -2.455 3.301) 4.118 12.210 ( 0.763 -2.694 -4.199) 5.047 12.259 ( 0.626 3.751 4.971) 6.259 12.346 ( 1.055 3.378 -4.005) 5.345 13.125 ( 0.965 1.885 3.696) 4.259 13.143 ( 0.606 1.955 5.492) 5.861 13.191 ( 2.542 0.547 -3.073) 4.026 13.258 ( 1.370 1.615 -5.491) 5.885 13.375 ( -0.645 -5.914 0.752) 5.997 13.397 ( 0.569 -6.297 -1.665) 6.539 13.497 ( -1.352 0.265 2.735) 3.063 13.544 ( -0.795 1.143 -2.154) 2.565 13.684 ( 4.238 1.220 3.651) 5.725 13.752 ( 5.589 0.415 -3.213) 6.460 14.012 ( -7.186 0.380 1.608) 7.373 14.036 ( -4.354 -0.627 -0.671) 4.449 14.213 ( -1.578 -2.212 1.927) 3.332 14.251 ( -0.740 -1.096 -0.907) 1.604 14.274 ( -2.710 -0.771 -0.017) 2.818 14.299 ( -1.420 0.235 -1.481) 2.065 14.543 ( 0.840 -5.541 1.611) 5.831 14.562 ( 2.233 -6.510 -0.126) 6.883 14.663 ( -2.643 -4.869 1.126) 5.653 14.692 ( -2.295 -5.271 -1.560) 5.957 14.821 ( -0.190 -1.994 0.628) 2.099 14.856 ( 1.502 -2.910 -2.298) 4.001 15.000 ( -1.344 0.102 1.401) 1.944 15.033 ( 1.258 -1.564 -1.102) 2.290 15.147 ( 3.658 1.249 3.544) 5.244 15.233 ( 5.829 -2.075 -4.473) 7.635 15.286 ( -0.180 1.178 5.559) 5.686 15.407 ( 0.173 -1.997 -6.352) 6.661 15.687 ( 7.745 3.812 0.945) 8.684 15.701 ( 9.094 5.333 -0.635) 10.561 16.062 ( -6.199 10.994 -1.393) 12.698 16.086 ( -5.306 13.353 -4.153) 14.957 16.479 ( 2.633 3.163 4.681) 6.233 16.586 ( 5.170 2.447 -6.494) 8.654 16.688 ( -2.006 5.799 6.226) 8.742 16.822 ( -2.896 2.670 -8.050) 8.962 18.931 ( 1.438 2.466 13.111) 13.418 19.012 ( -1.613 1.874 12.323) 12.569 19.159 ( 0.784 1.396 -9.992) 10.120 19.219 ( -1.839 -0.659 -8.378) 8.603 20.564 ( 2.314 -1.685 3.928) 4.860 20.687 ( 2.168 -3.209 -8.279) 9.141 20.707 ( -2.771 -1.277 3.428) 4.589 20.819 ( 0.618 0.070 -7.692) 7.717 21.119 ( 1.927 -1.529 8.023) 8.392 21.205 ( 1.143 -6.193 -0.057) 6.298 21.303 ( -2.703 -5.273 3.739) 7.006 21.414 ( -2.645 -1.599 -6.518) 7.214 21.681 ( -2.008 -8.086 3.483) 9.030 21.757 ( 0.306 -5.833 -4.346) 7.281 21.882 ( 2.144 0.082 5.162) 5.590 21.943 ( 2.454 1.565 -1.150) 3.129 22.101 ( 1.013 -5.577 2.439) 6.170 22.141 ( 1.260 -6.123 -1.254) 6.376 22.273 ( -6.376 -5.102 2.484) 8.536 22.314 ( -4.988 -5.419 -1.439) 7.504 23.119 ( 0.310 -15.491 7.647) 17.278 23.249 ( 0.208 -12.151 -4.815) 13.071 23.275 ( 0.649 -9.654 3.433) 10.267 23.334 ( 0.505 -7.553 -2.263) 7.901 23.885 ( 2.031 4.867 0.657) 5.314 23.918 ( 2.435 3.547 -2.808) 5.137 23.960 ( -0.090 10.834 0.342) 10.840 23.978 ( 0.340 12.282 -1.718) 12.407 24.240 ( -0.027 8.202 2.249) 8.505 24.291 ( 0.975 7.649 -1.759) 7.910 24.352 ( -1.803 12.220 -1.072) 12.398 24.397 ( -0.144 12.659 -4.711) 13.508 24.881 ( -0.981 -4.977 2.238) 5.544 24.914 ( -0.500 -4.516 -1.412) 4.758 25.087 ( -3.324 4.412 2.780) 6.184 25.116 ( -1.872 4.345 -0.180) 4.734 25.892 ( 2.054 -0.231 1.660) 2.652 25.925 ( 2.230 -0.817 -1.737) 2.943 26.010 ( -1.815 2.364 0.608) 3.041 26.024 ( -1.023 1.780 -0.689) 2.166 ======================= Grid point 97 (36/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 8.523 9.552) 12.802 1.487 ( 0.000 2.897 -1.495) 3.260 1.500 ( -0.000 5.583 5.179) 7.615 1.588 ( 0.000 8.772 -1.202) 8.854 1.647 ( -0.000 5.709 3.724) 6.816 1.677 ( 0.000 12.462 3.072) 12.835 1.691 ( 0.000 7.686 -0.820) 7.729 1.729 ( -0.000 9.428 -0.736) 9.457 1.908 ( 0.000 3.246 -1.638) 3.635 2.012 ( 0.000 -2.397 -6.610) 7.031 2.099 ( -0.000 6.310 0.495) 6.330 2.160 ( 0.000 9.140 -4.528) 10.200 2.385 ( 0.000 -1.421 4.574) 4.789 2.455 ( -0.000 5.983 4.223) 7.324 2.458 ( 0.000 0.322 -2.799) 2.817 2.472 ( 0.000 3.367 -0.430) 3.394 2.680 ( 0.000 -4.355 14.997) 15.616 2.739 ( -0.000 0.190 16.798) 16.799 2.800 ( 0.000 1.089 6.891) 6.976 2.843 ( 0.000 -3.251 10.782) 11.261 2.903 ( 0.000 -4.907 11.160) 12.192 2.963 ( -0.000 -0.779 4.482) 4.549 3.120 ( 0.000 -4.168 -5.968) 7.279 3.161 ( 0.000 -4.453 -2.266) 4.996 3.273 ( 0.000 -1.192 -1.872) 2.220 3.325 ( 0.000 1.243 0.616) 1.388 3.361 ( 0.000 -1.276 -7.876) 7.979 3.387 ( -0.000 -0.384 -9.918) 9.926 3.469 ( 0.000 -2.169 -1.481) 2.626 3.538 ( 0.000 1.159 0.931) 1.487 3.609 ( 0.000 -5.187 -3.200) 6.095 3.695 ( 0.000 0.789 -7.067) 7.111 3.798 ( 0.000 -8.015 1.123) 8.093 3.816 ( 0.000 -5.127 8.092) 9.579 3.864 ( 0.000 -6.651 -6.910) 9.591 3.924 ( 0.000 0.608 -0.770) 0.981 4.024 ( 0.000 -0.497 -1.670) 1.743 4.092 ( 0.000 0.818 0.966) 1.266 4.130 ( 0.000 1.277 -11.206) 11.278 4.195 ( 0.000 0.727 -7.491) 7.526 4.424 ( 0.000 2.548 1.024) 2.746 4.460 ( 0.000 -3.063 1.966) 3.639 4.492 ( 0.000 -1.057 -1.311) 1.684 4.511 ( 0.000 2.424 -7.123) 7.524 4.645 ( 0.000 -1.129 2.908) 3.120 4.661 ( -0.000 0.999 3.856) 3.983 4.709 ( 0.000 -1.502 -3.483) 3.793 4.727 ( 0.000 2.247 -2.029) 3.028 4.901 ( 0.000 -0.042 6.283) 6.283 4.930 ( 0.000 3.074 8.103) 8.667 5.018 ( 0.000 -1.152 -5.213) 5.339 5.112 ( 0.000 4.161 -8.108) 9.114 5.239 ( 0.000 -0.270 3.116) 3.128 5.244 ( 0.000 -5.169 4.209) 6.666 5.306 ( 0.000 -0.535 -3.146) 3.191 5.326 ( -0.000 -6.586 -1.908) 6.856 5.392 ( 0.000 3.304 0.988) 3.449 5.457 ( 0.000 -1.375 -3.536) 3.794 5.554 ( 0.000 -3.098 2.615) 4.054 5.592 ( 0.000 -3.848 -1.648) 4.186 5.643 ( 0.000 -0.598 2.744) 2.809 5.733 ( 0.000 -0.172 -5.431) 5.434 5.794 ( 0.000 6.760 5.841) 8.934 5.852 ( 0.000 8.651 1.054) 8.715 5.935 ( 0.000 -2.030 -0.563) 2.107 5.971 ( 0.000 -2.495 -3.860) 4.597 5.975 ( 0.000 0.439 -0.468) 0.642 6.007 ( 0.000 5.316 0.047) 5.316 6.159 ( 0.000 -0.052 2.836) 2.837 6.211 ( -0.000 5.083 2.526) 5.676 6.224 ( 0.000 0.038 -3.420) 3.420 6.339 ( 0.000 5.035 -10.484) 11.630 6.443 ( 0.000 0.288 7.369) 7.375 6.594 ( -0.032 -0.711 -7.758) 7.790 6.594 ( 0.032 3.103 4.049) 5.101 6.680 ( 0.000 0.409 -5.812) 5.826 6.861 ( 0.000 -1.061 5.837) 5.933 6.936 ( 0.000 0.224 -0.853) 0.882 6.964 ( -0.000 3.220 13.479) 13.858 7.048 ( -0.000 3.794 5.979) 7.081 7.132 ( 0.000 6.295 -2.815) 6.896 7.144 ( 0.000 7.548 6.407) 9.901 7.276 ( -0.000 1.725 -12.887) 13.002 7.280 ( 0.000 4.371 -5.679) 7.166 7.724 ( 0.000 -0.659 5.213) 5.254 7.765 ( -0.000 0.805 4.410) 4.483 7.844 ( 0.000 2.240 -6.110) 6.508 7.864 ( 0.000 3.639 -5.799) 6.846 8.182 ( 0.000 -4.714 7.635) 8.973 8.297 ( 0.000 -4.646 -4.286) 6.321 8.313 ( 0.000 3.292 6.988) 7.724 8.415 ( 0.000 0.814 -3.539) 3.631 8.552 ( -0.000 -0.762 5.947) 5.996 8.616 ( 0.000 3.129 6.540) 7.250 8.709 ( 0.000 -3.077 -10.227) 10.680 8.778 ( 0.000 1.764 -9.624) 9.785 8.978 ( 0.000 0.394 5.711) 5.725 8.993 ( 0.000 -0.139 6.838) 6.840 9.069 ( 0.000 -1.169 -2.799) 3.033 9.115 ( 0.000 0.019 -4.721) 4.721 9.410 ( 0.000 -3.109 6.642) 7.334 9.461 ( 0.000 -0.418 6.025) 6.040 9.516 ( 0.000 -1.566 -3.866) 4.171 9.541 ( -0.000 1.707 -1.901) 2.554 9.953 ( -0.000 -4.926 5.937) 7.714 10.061 ( 0.000 -6.592 -4.920) 8.225 10.091 ( 0.000 0.568 8.753) 8.771 10.230 ( 0.000 0.059 -5.494) 5.494 10.695 ( -0.000 -5.936 9.006) 10.786 10.708 ( 0.000 -5.129 8.418) 9.857 10.849 ( -0.000 -5.594 -7.414) 9.287 10.861 ( 0.000 -5.043 -7.594) 9.116 12.141 ( 0.000 -2.611 3.405) 4.291 12.219 ( 0.000 -3.008 -4.786) 5.653 12.267 ( 0.000 3.928 5.436) 6.707 12.359 ( 0.000 4.001 -4.179) 5.786 13.140 ( 0.000 1.898 6.577) 6.845 13.150 ( 0.000 1.519 4.682) 4.922 13.230 ( 0.000 -0.658 -3.764) 3.821 13.261 ( 0.000 1.883 -5.563) 5.873 13.368 ( 0.000 -6.082 1.009) 6.165 13.407 ( 0.000 -6.497 -3.264) 7.271 13.482 ( 0.000 0.205 2.540) 2.548 13.531 ( 0.000 1.276 -2.683) 2.971 13.820 ( -0.000 0.056 3.914) 3.914 13.832 ( 0.000 1.362 4.431) 4.636 13.889 ( 0.000 -0.895 -3.203) 3.325 13.907 ( 0.000 0.963 -3.343) 3.479 14.207 ( 0.000 -1.089 1.987) 2.266 14.232 ( 0.000 0.089 2.635) 2.636 14.252 ( 0.000 -1.167 -2.545) 2.800 14.283 ( 0.000 0.255 -2.449) 2.462 14.556 ( 0.000 -5.445 2.630) 6.047 14.607 ( 0.000 -5.568 -2.487) 6.098 14.620 ( -0.000 -6.086 2.562) 6.604 14.660 ( 0.000 -6.933 -1.477) 7.088 14.817 ( 0.000 -1.957 1.279) 2.338 14.874 ( 0.000 -3.626 -4.232) 5.573 14.989 ( 0.000 0.469 3.628) 3.658 15.050 ( 0.000 -1.569 -2.094) 2.617 15.192 ( 0.000 -2.506 5.236) 5.805 15.268 ( 0.000 3.891 6.821) 7.853 15.298 ( 0.000 -6.297 -5.838) 8.587 15.412 ( 0.000 -0.116 -7.820) 7.821 15.805 ( 0.000 3.208 4.296) 5.362 15.890 ( -0.000 8.874 4.731) 10.056 15.908 ( 0.000 7.375 -7.149) 10.271 16.001 ( 0.000 12.241 -7.157) 14.180 16.516 ( 0.000 2.259 6.018) 6.428 16.659 ( 0.000 7.254 5.310) 8.990 16.664 ( 0.000 0.702 -9.722) 9.747 16.770 ( 0.000 4.704 -6.924) 8.371 18.959 ( -0.000 1.633 12.621) 12.727 18.981 ( 0.000 2.717 12.665) 12.953 19.178 ( -0.000 0.204 -9.371) 9.373 19.188 ( 0.000 0.837 -7.931) 7.975 20.605 ( 0.000 -2.671 3.307) 4.251 20.661 ( -0.000 -0.210 5.728) 5.732 20.715 ( 0.000 -4.142 -7.788) 8.821 20.825 ( 0.000 0.606 -10.654) 10.671 21.148 ( -0.000 -4.411 7.410) 8.623 21.230 ( -0.000 -0.720 9.291) 9.319 21.255 ( 0.000 -6.234 -4.031) 7.424 21.379 ( 0.000 -0.295 -6.629) 6.636 21.661 ( 0.000 -10.346 3.936) 11.069 21.764 ( 0.000 -7.760 -6.619) 10.200 21.901 ( 0.000 -0.324 6.391) 6.399 21.977 ( 0.000 1.274 -1.498) 1.967 22.135 ( -0.000 -5.583 3.851) 6.782 22.150 ( 0.000 -3.745 5.712) 6.830 22.208 ( -0.000 -5.933 -3.242) 6.761 22.228 ( 0.000 -3.384 -2.619) 4.279 23.122 ( 0.000 -15.290 6.953) 16.797 23.252 ( 0.000 -12.310 -6.135) 13.754 23.281 ( 0.000 -9.631 4.400) 10.588 23.340 ( 0.000 -7.735 -2.018) 7.994 23.912 ( 0.000 7.164 0.993) 7.232 23.952 ( 0.000 6.723 -3.125) 7.414 23.956 ( 0.000 8.649 0.472) 8.662 23.977 ( 0.000 8.916 -1.978) 9.132 24.242 ( 0.000 9.871 2.881) 10.283 24.312 ( 0.000 14.973 3.070) 15.285 24.318 ( -0.000 7.085 -5.221) 8.801 24.394 ( 0.000 11.909 -5.773) 13.235 24.871 ( 0.000 -4.911 2.519) 5.520 24.909 ( 0.000 -4.442 -1.690) 4.752 25.049 ( 0.000 3.832 3.884) 5.456 25.093 ( 0.000 3.892 -0.683) 3.952 25.922 ( 0.000 -0.417 1.727) 1.777 25.961 ( 0.000 -0.926 -2.319) 2.497 25.976 ( 0.000 2.041 1.975) 2.840 26.008 ( 0.000 1.420 -1.417) 2.006 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 7.756 7.938) 11.099 1.336 ( 0.000 1.482 1.297) 1.969 1.573 ( 0.000 -0.951 4.410) 4.511 1.653 ( 0.000 8.846 8.982) 12.607 1.711 ( 0.000 -2.548 8.444) 8.820 1.761 ( 0.000 4.740 -4.776) 6.729 1.853 ( 0.000 -1.213 -2.947) 3.187 1.889 ( 0.000 4.286 -8.193) 9.246 1.915 ( 0.000 5.291 -1.308) 5.450 1.981 ( 0.000 3.214 -8.072) 8.688 2.239 ( 0.000 -5.142 1.862) 5.469 2.260 ( 0.000 -3.587 0.536) 3.627 2.309 ( 0.000 0.539 2.853) 2.903 2.327 ( 0.000 10.504 4.043) 11.255 2.460 ( 0.000 3.880 11.932) 12.547 2.612 ( 0.000 -4.273 6.586) 7.851 2.623 ( 0.000 4.297 -3.456) 5.514 2.713 ( 0.000 -2.998 1.049) 3.176 2.837 ( 0.000 1.185 7.088) 7.187 2.899 ( 0.000 3.561 1.513) 3.869 2.919 ( 0.000 1.629 8.946) 9.093 2.958 ( 0.000 6.050 4.169) 7.348 3.050 ( 0.000 7.628 7.954) 11.020 3.130 ( 0.000 -0.639 -0.429) 0.770 3.253 ( 0.000 -1.124 -0.542) 1.248 3.258 ( 0.000 -0.227 -1.566) 1.583 3.369 ( 0.000 1.417 3.028) 3.343 3.440 ( 0.000 0.090 -9.138) 9.138 3.454 ( 0.000 -5.662 5.767) 8.082 3.580 ( 0.000 -3.890 2.984) 4.902 3.634 ( 0.000 -1.732 -4.955) 5.249 3.657 ( 0.000 -4.372 5.576) 7.085 3.733 ( 0.000 -6.815 -7.206) 9.918 3.798 ( 0.000 -3.617 1.629) 3.967 3.854 ( 0.000 7.128 -3.143) 7.790 3.930 ( 0.000 0.862 -8.150) 8.196 3.992 ( 0.000 -1.304 -7.016) 7.137 4.001 ( 0.000 1.287 -7.389) 7.501 4.250 ( 0.000 4.211 -3.197) 5.287 4.254 ( 0.000 2.560 -3.270) 4.153 4.452 ( 0.000 1.924 -0.852) 2.104 4.471 ( 0.000 -1.905 1.126) 2.212 4.509 ( 0.000 0.512 0.463) 0.690 4.546 ( 0.000 6.778 -0.592) 6.804 4.629 ( 0.000 2.089 3.602) 4.164 4.705 ( 0.000 0.571 -2.479) 2.544 4.734 ( 0.000 0.509 0.448) 0.678 4.767 ( 0.000 -1.542 -3.413) 3.745 4.874 ( 0.000 0.387 2.703) 2.731 4.955 ( 0.000 3.411 -6.588) 7.419 5.017 ( 0.000 0.537 4.922) 4.951 5.105 ( 0.000 -4.730 -2.819) 5.506 5.202 ( 0.000 -3.000 -0.110) 3.002 5.216 ( 0.000 -4.170 0.269) 4.179 5.282 ( 0.000 -3.894 -3.856) 5.480 5.288 ( 0.000 -5.954 -2.024) 6.289 5.420 ( 0.000 -1.399 3.303) 3.587 5.459 ( 0.000 -0.513 1.167) 1.274 5.525 ( 0.000 -1.473 0.466) 1.545 5.579 ( 0.000 -2.420 -6.050) 6.516 5.775 ( 0.000 2.785 2.932) 4.044 5.790 ( 0.000 8.203 3.242) 8.820 5.848 ( 0.000 3.539 3.314) 4.849 5.878 ( 0.000 -2.965 1.077) 3.155 5.932 ( 0.000 -0.042 -1.114) 1.115 5.969 ( 0.000 0.985 -5.759) 5.842 6.007 ( 0.000 4.101 -1.669) 4.427 6.075 ( 0.000 4.455 -4.879) 6.607 6.155 ( 0.000 0.068 2.910) 2.911 6.205 ( 0.000 -0.639 -1.176) 1.339 6.317 ( 0.000 2.439 5.127) 5.678 6.407 ( 0.000 0.399 -2.319) 2.353 6.434 ( 0.000 8.060 4.869) 9.417 6.465 ( 0.000 10.352 0.168) 10.353 6.608 ( 0.000 -2.547 -0.896) 2.700 6.662 ( 0.000 -0.766 -4.889) 4.948 6.825 ( 0.000 -2.092 8.271) 8.531 6.901 ( 0.000 1.372 2.266) 2.649 6.990 ( 0.000 1.958 2.690) 3.328 7.064 ( 0.000 3.537 -5.965) 6.935 7.279 ( 0.000 4.269 2.389) 4.892 7.340 ( 0.000 3.980 -3.055) 5.017 7.519 ( 0.000 4.628 3.132) 5.588 7.529 ( 0.000 -5.758 -0.651) 5.795 7.643 ( 0.000 7.918 0.346) 7.925 7.774 ( 0.000 9.458 -9.634) 13.501 7.923 ( 0.000 1.158 4.118) 4.278 8.011 ( 0.000 3.539 -3.447) 4.940 8.191 ( 0.000 -2.545 1.821) 3.130 8.202 ( 0.000 1.748 2.670) 3.191 8.368 ( 0.000 4.940 9.794) 10.970 8.424 ( 0.000 -0.190 2.583) 2.590 8.501 ( 0.000 -0.133 0.896) 0.906 8.607 ( 0.000 -4.404 -0.757) 4.468 8.712 ( 0.000 -1.624 -5.343) 5.584 8.804 ( 0.000 -5.026 -6.930) 8.561 8.883 ( 0.000 1.802 1.726) 2.495 8.949 ( 0.000 1.801 -2.674) 3.224 9.123 ( 0.000 0.284 2.819) 2.833 9.163 ( 0.000 -2.837 0.980) 3.002 9.308 ( 0.000 1.058 1.962) 2.229 9.374 ( 0.000 -2.297 -4.596) 5.139 9.534 ( 0.000 -1.137 1.702) 2.047 9.571 ( 0.000 -1.576 -1.324) 2.058 9.811 ( 0.000 -0.250 2.351) 2.365 9.848 ( 0.000 -2.526 -1.553) 2.965 10.133 ( 0.000 -6.385 7.270) 9.676 10.220 ( 0.000 -6.346 -0.871) 6.406 10.418 ( 0.000 -11.798 1.506) 11.894 10.428 ( 0.000 -11.781 0.008) 11.781 10.876 ( 0.000 -2.644 3.578) 4.450 10.950 ( 0.000 -5.183 -4.037) 6.569 12.097 ( 0.000 -1.806 1.991) 2.688 12.150 ( 0.000 -2.714 -3.802) 4.672 12.323 ( 0.000 3.476 4.032) 5.324 12.384 ( 0.000 2.091 -2.267) 3.084 13.088 ( 0.000 -3.384 2.888) 4.449 13.125 ( 0.000 -4.172 -0.823) 4.252 13.188 ( 0.000 -1.240 2.622) 2.900 13.234 ( 0.000 -8.435 -0.889) 8.481 13.269 ( 0.000 -3.892 -1.197) 4.071 13.281 ( 0.000 1.855 -3.714) 4.152 13.545 ( 0.000 2.402 3.725) 4.432 13.590 ( 0.000 2.366 -0.977) 2.560 13.677 ( 0.000 1.453 1.018) 1.774 13.708 ( 0.000 0.884 -2.008) 2.194 14.040 ( 0.000 -1.983 1.164) 2.299 14.063 ( 0.000 -1.424 -1.310) 1.935 14.182 ( 0.000 -1.453 2.681) 3.050 14.226 ( 0.000 -1.539 -1.707) 2.298 14.290 ( 0.000 -1.085 0.777) 1.335 14.302 ( 0.000 -0.872 -0.922) 1.269 14.442 ( 0.000 -4.617 2.371) 5.190 14.468 ( 0.000 -3.841 -0.101) 3.842 14.564 ( 0.000 -5.997 -0.198) 6.001 14.573 ( 0.000 -5.141 -0.371) 5.154 14.834 ( 0.000 0.999 -0.684) 1.211 14.854 ( 0.000 1.380 -2.666) 3.003 15.003 ( 0.000 -0.867 0.810) 1.187 15.016 ( 0.000 -1.152 -0.832) 1.421 15.137 ( 0.000 0.177 0.445) 0.479 15.143 ( 0.000 -0.452 -0.231) 0.508 15.296 ( 0.000 1.345 4.418) 4.619 15.370 ( 0.000 -2.128 -3.187) 3.832 15.685 ( 0.000 5.738 2.307) 6.184 15.713 ( 0.000 5.471 -0.349) 5.482 16.363 ( 0.000 11.083 0.053) 11.083 16.404 ( 0.000 10.025 -4.350) 10.928 16.546 ( 0.000 5.870 -0.113) 5.871 16.588 ( 0.000 3.719 -3.363) 5.014 16.810 ( 0.000 4.757 3.759) 6.063 16.889 ( 0.000 1.591 -4.668) 4.931 18.980 ( 0.000 3.472 11.881) 12.378 19.072 ( 0.000 2.761 9.825) 10.206 19.177 ( 0.000 -0.252 -7.769) 7.773 19.210 ( 0.000 -0.779 -3.840) 3.918 20.503 ( 0.000 -2.148 1.975) 2.918 20.592 ( 0.000 -4.560 -6.468) 7.914 20.694 ( 0.000 -2.720 1.808) 3.266 20.796 ( 0.000 -1.481 -8.023) 8.158 21.029 ( 0.000 -7.475 1.683) 7.662 21.048 ( 0.000 -7.187 -0.761) 7.227 21.202 ( 0.000 -2.455 8.703) 9.043 21.369 ( 0.000 -4.806 -7.262) 8.708 21.618 ( 0.000 -4.830 3.908) 6.213 21.663 ( 0.000 -4.472 -0.843) 4.551 21.859 ( 0.000 -0.153 3.833) 3.836 21.881 ( 0.000 -3.574 1.361) 3.824 21.995 ( 0.000 -3.512 1.962) 4.023 22.035 ( 0.000 -2.887 -2.097) 3.568 22.215 ( 0.000 -5.796 0.230) 5.800 22.239 ( 0.000 -6.004 -2.344) 6.446 22.929 ( 0.000 -4.617 7.084) 8.455 23.066 ( 0.000 -6.829 -6.883) 9.696 23.157 ( 0.000 -2.461 5.121) 5.682 23.227 ( 0.000 -3.445 -2.326) 4.157 23.853 ( 0.000 -2.511 -0.911) 2.671 23.857 ( 0.000 -3.221 -1.504) 3.555 24.086 ( 0.000 2.145 -0.046) 2.145 24.089 ( 0.000 1.319 -0.404) 1.380 24.431 ( 0.000 6.678 0.338) 6.687 24.445 ( 0.000 8.795 -1.330) 8.895 24.599 ( 0.000 10.082 0.703) 10.106 24.640 ( 0.000 8.233 -3.335) 8.883 24.861 ( 0.000 3.575 1.084) 3.736 24.886 ( 0.000 2.365 -1.569) 2.838 25.217 ( 0.000 4.044 1.165) 4.209 25.219 ( 0.000 3.865 0.648) 3.919 25.878 ( 0.000 1.027 0.722) 1.255 25.899 ( 0.000 0.543 -1.618) 1.707 26.076 ( 0.000 2.000 0.496) 2.060 26.082 ( 0.000 2.171 -0.209) 2.181 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 6.103 3.017 3.419) 7.618 1.405 ( 6.767 1.505 1.667) 7.130 1.587 ( 0.149 -2.194 3.437) 4.080 1.649 ( -0.832 0.724 5.900) 6.002 1.707 ( -3.740 1.152 -2.811) 4.818 1.769 ( 5.497 2.952 4.560) 7.728 1.872 ( 1.755 3.909 -3.976) 5.845 1.917 ( 2.532 5.930 2.414) 6.885 1.979 ( 6.684 5.350 0.481) 8.574 2.084 ( 5.279 5.171 -7.961) 10.862 2.202 ( -2.564 2.421 3.450) 4.933 2.262 ( -1.980 1.800 -1.067) 2.881 2.312 ( 1.463 0.820 5.264) 5.525 2.367 ( 3.898 2.329 -0.746) 4.602 2.494 ( 5.161 -0.125 7.719) 9.286 2.546 ( -3.202 -0.169 4.588) 5.598 2.639 ( -0.416 -1.165 0.304) 1.274 2.712 ( 0.813 -0.176 1.311) 1.553 2.824 ( -0.571 1.520 9.282) 9.423 2.854 ( -1.799 6.507 6.451) 9.337 2.924 ( -0.523 0.220 5.820) 5.847 3.012 ( 2.474 5.410 6.621) 8.901 3.049 ( -0.543 3.497 3.338) 4.864 3.123 ( -0.455 -0.434 -0.327) 0.709 3.221 ( -0.209 -1.517 3.089) 3.448 3.276 ( -0.417 -0.496 -3.529) 3.588 3.381 ( -0.912 -0.125 -2.778) 2.927 3.438 ( 0.132 -1.644 -0.044) 1.650 3.464 ( 1.200 0.540 -4.682) 4.863 3.537 ( -2.861 -4.571 2.430) 5.915 3.616 ( -3.709 -1.148 -2.107) 4.417 3.661 ( -2.155 -5.510 -0.364) 5.927 3.705 ( -3.282 -3.760 -2.814) 5.729 3.756 ( -2.331 -2.959 -1.564) 4.079 3.815 ( -0.548 3.447 1.449) 3.779 3.943 ( 1.662 2.583 -5.067) 5.925 4.018 ( 3.010 2.718 -3.836) 5.583 4.049 ( 3.250 -0.827 -7.351) 8.080 4.180 ( -4.407 1.291 -2.006) 5.011 4.243 ( -2.637 1.329 -6.626) 7.254 4.441 ( -0.336 0.489 2.784) 2.846 4.483 ( 0.795 1.876 -1.027) 2.282 4.505 ( -0.395 1.556 0.098) 1.608 4.533 ( -0.372 4.031 -1.397) 4.283 4.621 ( -1.089 -1.656 1.707) 2.616 4.684 ( -3.623 0.013 -1.572) 3.949 4.715 ( -2.141 2.171 0.401) 3.075 4.766 ( -0.367 -0.736 -5.066) 5.132 4.895 ( 2.290 -0.127 3.216) 3.950 4.944 ( -0.199 0.381 0.710) 0.830 5.016 ( -0.216 -0.046 -0.804) 0.834 5.086 ( -0.429 -5.596 -4.864) 7.427 5.174 ( -0.613 -2.490 2.055) 3.286 5.207 ( -0.969 -2.984 -1.264) 3.383 5.280 ( -0.866 -4.008 -0.481) 4.129 5.318 ( 0.415 -2.528 -4.639) 5.299 5.391 ( 0.280 -1.118 2.813) 3.040 5.460 ( 0.570 0.523 -0.637) 1.002 5.516 ( -0.158 -0.612 1.870) 1.974 5.614 ( -0.764 2.874 -5.749) 6.473 5.662 ( -6.375 -0.962 4.643) 7.945 5.745 ( -5.003 1.404 -1.126) 5.317 5.836 ( 0.183 0.337 3.705) 3.725 5.905 ( -0.311 2.324 -4.631) 5.191 5.917 ( 1.518 -1.786 -1.255) 2.659 5.951 ( -0.953 -2.687 -2.216) 3.612 6.061 ( 4.442 8.130 4.371) 10.244 6.142 ( 2.910 3.995 -0.425) 4.960 6.184 ( 1.797 3.403 1.759) 4.231 6.242 ( 1.137 1.330 -1.018) 2.024 6.306 ( 0.801 4.979 1.053) 5.152 6.358 ( 0.883 6.265 -4.626) 7.838 6.476 ( 1.595 3.562 3.706) 5.382 6.542 ( 3.336 2.136 -1.321) 4.175 6.611 ( 1.328 -0.143 3.036) 3.317 6.713 ( 2.861 0.863 -6.466) 7.123 6.823 ( -0.399 -2.412 6.877) 7.299 6.880 ( 0.708 1.597 3.443) 3.861 7.022 ( 2.745 1.370 3.855) 4.927 7.114 ( 4.438 3.232 -4.024) 6.807 7.195 ( -6.091 4.361 3.460) 8.252 7.308 ( -3.259 2.685 -5.355) 6.819 7.431 ( -7.524 3.383 0.728) 8.282 7.492 ( -5.711 2.261 -4.839) 7.819 7.663 ( 4.606 5.845 6.516) 9.891 7.818 ( 3.748 4.050 -7.790) 9.546 7.916 ( -3.172 3.634 4.571) 6.645 7.994 ( -1.542 4.208 -1.732) 4.805 8.136 ( -4.972 -2.423 4.583) 7.183 8.191 ( 0.383 -3.652 -2.039) 4.200 8.359 ( 1.185 2.840 8.323) 8.874 8.450 ( 0.530 4.364 -1.236) 4.567 8.518 ( 1.877 0.124 3.861) 4.295 8.587 ( -0.852 -5.130 -1.358) 5.375 8.747 ( -2.863 -1.683 -5.553) 6.471 8.764 ( 1.845 -1.592 -4.584) 5.192 8.953 ( 4.620 2.257 0.668) 5.185 8.978 ( 3.298 1.147 -0.020) 3.492 9.095 ( -3.120 0.503 1.177) 3.373 9.146 ( -2.104 -0.516 -2.034) 2.972 9.320 ( 1.945 -1.566 3.663) 4.433 9.406 ( 2.611 -2.414 -3.452) 4.956 9.504 ( -2.073 -1.093 3.470) 4.187 9.579 ( -0.159 -0.069 -3.087) 3.092 9.827 ( 1.992 -2.667 3.504) 4.833 9.889 ( 3.211 -4.155 -2.857) 5.978 10.106 ( -2.680 -5.318 6.841) 9.070 10.192 ( -2.172 -6.062 -1.890) 6.711 10.451 ( 5.123 -9.200 6.097) 12.168 10.523 ( 7.115 -10.228 -1.435) 12.542 10.802 ( -6.932 -2.852 2.672) 7.958 10.879 ( -6.716 -5.450 -4.951) 9.966 12.095 ( -0.104 -2.096 2.250) 3.076 12.159 ( 0.631 -2.557 -4.505) 5.219 12.333 ( 0.861 3.545 4.949) 6.148 12.407 ( 1.883 2.513 -2.700) 4.141 13.106 ( 1.651 -3.487 2.902) 4.827 13.144 ( 1.788 -4.027 -0.750) 4.469 13.179 ( -0.679 -1.842 3.333) 3.868 13.234 ( -0.396 -7.280 -0.230) 7.294 13.262 ( -0.303 -4.566 -1.507) 4.818 13.301 ( 1.476 1.098 -5.159) 5.477 13.522 ( -1.477 2.514 3.760) 4.758 13.579 ( -0.986 2.289 -2.278) 3.376 13.712 ( 4.275 1.627 2.857) 5.393 13.762 ( 4.916 0.597 -2.344) 5.478 14.006 ( -5.042 -0.862 1.134) 5.240 14.027 ( -3.918 -0.216 -1.007) 4.051 14.183 ( 0.188 -0.767 2.126) 2.268 14.225 ( 0.004 -1.333 -2.095) 2.484 14.259 ( -2.138 -0.742 1.796) 2.889 14.294 ( -1.260 -0.738 -1.490) 2.086 14.437 ( 0.676 -5.777 1.630) 6.040 14.452 ( -0.670 -3.928 0.504) 4.016 14.524 ( -2.596 -6.997 1.098) 7.543 14.554 ( -3.045 -6.195 -1.427) 7.049 14.821 ( -0.892 0.813 0.168) 1.219 14.858 ( 0.284 1.001 -3.399) 3.555 14.982 ( -1.006 -0.948 0.992) 1.702 15.004 ( -0.007 -1.172 -1.165) 1.653 15.140 ( 0.489 -1.278 2.170) 2.566 15.177 ( 1.935 -2.787 -1.454) 3.691 15.335 ( 1.106 2.154 3.102) 3.935 15.385 ( 2.248 -0.780 -1.773) 2.967 15.768 ( 7.281 4.349 4.051) 9.399 15.827 ( 10.783 6.726 -1.419) 12.787 16.269 ( -8.568 9.400 -0.540) 12.730 16.321 ( -6.784 10.043 -5.393) 13.266 16.571 ( 2.159 5.420 2.397) 6.307 16.651 ( 4.142 3.693 -5.731) 7.978 16.801 ( -0.815 5.238 3.476) 6.339 16.873 ( -1.456 2.283 -4.362) 5.135 18.990 ( 0.937 3.290 11.493) 11.992 19.061 ( -1.051 3.011 10.197) 10.684 19.177 ( 0.008 -0.324 -7.233) 7.240 19.206 ( -0.378 -0.221 -4.012) 4.036 20.519 ( 1.525 -2.736 1.896) 3.661 20.606 ( 1.213 -4.999 -6.430) 8.235 20.667 ( -2.345 -2.830 2.859) 4.657 20.794 ( -0.312 -2.978 -9.744) 10.193 21.042 ( 1.713 -5.836 3.702) 7.120 21.093 ( 3.581 -5.191 -1.680) 6.526 21.200 ( -0.325 -2.784 8.750) 9.189 21.361 ( -0.844 -4.036 -7.005) 8.128 21.556 ( -4.604 -4.586 4.049) 7.657 21.643 ( -2.058 -5.553 -4.710) 7.567 21.849 ( -0.126 -3.221 7.330) 8.007 21.908 ( 1.224 -4.093 1.787) 4.631 22.019 ( 2.584 -2.801 0.775) 3.889 22.050 ( 1.632 -2.159 -2.221) 3.501 22.167 ( -4.193 -4.721 0.445) 6.330 22.205 ( -3.026 -4.834 -2.519) 6.235 22.932 ( 0.242 -4.762 6.822) 8.323 23.068 ( 0.208 -6.710 -6.864) 9.601 23.160 ( 0.214 -2.926 5.180) 5.953 23.229 ( 0.190 -3.604 -2.197) 4.225 23.897 ( 4.023 -1.791 -0.567) 4.440 23.904 ( 4.325 -2.621 -1.404) 5.249 24.064 ( -2.240 1.367 -0.112) 2.627 24.068 ( -2.198 0.501 -0.558) 2.323 24.444 ( 1.144 7.894 0.432) 7.988 24.468 ( 2.201 8.453 -1.931) 8.946 24.595 ( -0.519 9.281 1.016) 9.351 24.643 ( 0.230 7.522 -3.802) 8.432 24.852 ( -0.635 4.835 1.542) 5.114 24.886 ( 0.026 3.296 -2.098) 3.907 25.174 ( -3.401 4.585 2.352) 6.174 25.195 ( -2.205 3.951 0.233) 4.531 25.900 ( 2.001 0.993 0.724) 2.348 25.921 ( 1.995 0.348 -1.476) 2.505 26.054 ( -2.350 2.034 0.489) 3.146 26.060 ( -1.689 1.712 -0.088) 2.407 ======================= Grid point 102 (39/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 -0.173 2.768) 2.774 1.499 ( 0.000 -0.631 -0.874) 1.077 1.551 ( 0.000 0.713 3.579) 3.650 1.620 ( 0.000 -0.566 -3.356) 3.403 1.704 ( 0.000 -4.633 3.366) 5.727 1.834 ( 0.000 -4.361 -8.333) 9.405 1.872 ( -0.000 10.445 9.963) 14.435 1.994 ( 0.000 10.469 5.846) 11.991 2.046 ( 0.000 15.199 -4.493) 15.850 2.117 ( -0.000 9.369 -1.470) 9.483 2.139 ( 0.000 -1.950 10.680) 10.856 2.251 ( 0.000 0.198 -1.232) 1.247 2.334 ( 0.000 -1.795 5.963) 6.227 2.451 ( 0.000 0.016 -4.538) 4.538 2.464 ( 0.000 -1.763 0.447) 1.819 2.572 ( 0.000 -3.555 -5.722) 6.736 2.745 ( -0.000 8.651 6.623) 10.895 2.746 ( 0.000 -0.653 13.079) 13.095 2.773 ( 0.000 5.303 3.510) 6.359 2.828 ( -0.000 2.248 7.218) 7.560 2.919 ( 0.000 -3.266 6.574) 7.341 2.982 ( 0.000 8.246 13.170) 15.538 3.082 ( -0.000 -2.095 0.903) 2.282 3.087 ( 0.000 1.555 -4.634) 4.888 3.231 ( 0.000 -1.935 -0.381) 1.973 3.290 ( 0.000 -3.348 4.544) 5.644 3.383 ( -0.000 2.468 -4.436) 5.076 3.394 ( 0.000 -1.851 -15.728) 15.836 3.449 ( 0.000 3.285 -1.069) 3.455 3.506 ( 0.000 -0.846 7.940) 7.985 3.545 ( 0.000 -1.778 -5.199) 5.495 3.637 ( 0.000 -5.954 3.026) 6.679 3.661 ( 0.000 -2.998 -3.502) 4.610 3.752 ( 0.000 -3.600 -7.350) 8.184 3.820 ( 0.000 1.550 7.748) 7.902 3.978 ( 0.000 3.370 -3.884) 5.142 4.061 ( -0.000 6.314 -1.656) 6.528 4.081 ( 0.000 -1.331 2.295) 2.653 4.128 ( 0.000 -2.022 -8.835) 9.063 4.198 ( 0.000 0.191 -7.738) 7.741 4.464 ( 0.000 2.762 1.643) 3.214 4.474 ( 0.000 -0.053 1.064) 1.066 4.505 ( 0.000 4.416 -1.661) 4.718 4.541 ( 0.000 -1.398 -4.721) 4.923 4.585 ( 0.000 -2.926 2.890) 4.113 4.641 ( 0.000 -3.033 -3.139) 4.365 4.681 ( 0.000 2.029 2.135) 2.945 4.748 ( 0.000 0.845 -4.888) 4.961 4.936 ( 0.000 0.846 3.974) 4.063 4.938 ( -0.000 -2.632 5.544) 6.138 5.003 ( 0.000 0.394 -2.963) 2.989 5.098 ( 0.000 -6.587 -11.228) 13.018 5.203 ( 0.000 -3.445 1.501) 3.758 5.211 ( 0.000 -0.676 3.456) 3.521 5.254 ( -0.000 -4.735 -4.016) 6.209 5.274 ( 0.000 3.321 -0.873) 3.434 5.413 ( 0.000 0.568 3.561) 3.606 5.503 ( 0.000 -0.370 2.047) 2.080 5.522 ( -0.000 4.949 1.499) 5.171 5.539 ( 0.000 -0.498 -1.733) 1.803 5.601 ( 0.000 -3.263 -3.471) 4.764 5.693 ( 0.000 -2.465 -6.344) 6.807 5.837 ( 0.000 0.330 5.297) 5.307 5.917 ( -0.000 -1.323 -1.972) 2.375 5.921 ( 0.000 -0.626 -1.454) 1.583 5.952 ( 0.000 -0.876 -2.962) 3.089 6.112 ( 0.000 11.018 7.319) 13.227 6.172 ( 0.000 2.463 2.958) 3.849 6.182 ( 0.000 8.018 0.985) 8.078 6.242 ( 0.000 1.808 -3.334) 3.793 6.330 ( 0.000 5.864 1.098) 5.966 6.416 ( 0.000 3.986 -7.375) 8.384 6.471 ( 0.000 1.741 4.163) 4.512 6.588 ( -0.000 -0.309 -6.207) 6.214 6.617 ( 0.000 1.756 4.236) 4.586 6.697 ( 0.000 1.706 -5.212) 5.484 6.849 ( 0.000 0.102 7.507) 7.507 6.981 ( 0.000 -1.510 13.890) 13.972 6.982 ( -0.000 2.996 -5.262) 6.056 7.137 ( 0.000 2.334 3.394) 4.119 7.198 ( 0.000 1.811 -2.376) 2.987 7.250 ( 0.000 2.795 6.104) 6.713 7.338 ( 0.000 4.618 -11.747) 12.622 7.398 ( 0.000 6.104 -7.466) 9.644 7.760 ( 0.000 4.216 7.867) 8.925 7.821 ( -0.000 4.025 7.160) 8.214 7.899 ( 0.000 3.233 -6.242) 7.030 7.936 ( -0.000 1.929 -3.817) 4.276 8.090 ( 0.000 -2.256 7.849) 8.167 8.205 ( 0.000 -4.606 -4.461) 6.412 8.377 ( 0.000 2.918 7.069) 7.647 8.454 ( 0.000 4.110 -2.205) 4.664 8.526 ( -0.000 -2.035 1.372) 2.454 8.633 ( 0.000 -3.977 -9.182) 10.006 8.644 ( 0.000 -0.550 8.238) 8.256 8.822 ( 0.000 2.317 -9.326) 9.609 8.990 ( -0.000 -0.066 5.833) 5.834 9.022 ( 0.000 3.901 1.688) 4.251 9.065 ( 0.000 0.971 -1.883) 2.118 9.105 ( 0.000 -0.608 -5.793) 5.825 9.347 ( 0.000 -3.112 5.271) 6.121 9.456 ( -0.000 -4.445 -5.494) 7.067 9.465 ( 0.000 0.848 6.950) 7.002 9.571 ( 0.000 1.084 -3.857) 4.006 9.858 ( 0.000 -4.779 4.104) 6.299 9.931 ( 0.000 -6.384 -3.633) 7.345 10.064 ( 0.000 -3.021 7.379) 7.974 10.166 ( 0.000 -6.124 -3.420) 7.014 10.574 ( -0.000 -5.831 9.147) 10.848 10.594 ( 0.000 -5.949 8.378) 10.276 10.726 ( -0.000 -6.244 -7.122) 9.472 10.744 ( 0.000 -6.304 -7.280) 9.630 12.094 ( 0.000 -2.319 2.473) 3.390 12.166 ( 0.000 -2.458 -5.151) 5.707 12.344 ( 0.000 3.647 5.810) 6.860 12.430 ( 0.000 2.887 -3.133) 4.260 13.132 ( 0.000 -3.751 2.666) 4.602 13.159 ( 0.000 -1.793 5.183) 5.485 13.178 ( 0.000 -4.516 -2.189) 5.018 13.223 ( 0.000 -5.944 0.289) 5.951 13.259 ( 0.000 -5.544 -1.383) 5.713 13.318 ( 0.000 0.436 -6.362) 6.377 13.507 ( 0.000 2.774 3.883) 4.772 13.568 ( 0.000 2.499 -2.501) 3.536 13.817 ( 0.000 -0.200 2.424) 2.432 13.866 ( -0.000 -1.202 -2.596) 2.861 13.872 ( 0.000 2.699 4.005) 4.830 13.937 ( 0.000 1.994 -2.643) 3.311 14.188 ( 0.000 -0.773 1.696) 1.864 14.228 ( 0.000 -1.277 -2.293) 2.624 14.232 ( -0.000 0.002 2.720) 2.720 14.280 ( 0.000 -0.540 -2.071) 2.140 14.455 ( 0.000 -4.548 2.250) 5.074 14.472 ( 0.000 -7.360 1.448) 7.501 14.490 ( -0.000 -8.255 -0.452) 8.267 14.491 ( 0.000 -5.742 -1.309) 5.889 14.812 ( 0.000 0.620 0.592) 0.857 14.861 ( 0.000 0.452 -4.411) 4.434 14.975 ( 0.000 -0.991 1.985) 2.218 15.009 ( 0.000 -1.855 -1.409) 2.329 15.145 ( 0.000 -2.011 2.644) 3.322 15.197 ( 0.000 -3.948 -2.728) 4.799 15.339 ( 0.000 2.348 4.730) 5.281 15.414 ( 0.000 0.239 -2.593) 2.604 15.872 ( 0.000 3.495 7.810) 8.556 16.050 ( 0.000 6.653 -10.777) 12.666 16.074 ( -0.000 8.945 7.920) 11.947 16.229 ( 0.000 10.373 -8.300) 13.285 16.596 ( 0.000 4.992 3.366) 6.021 16.699 ( 0.000 2.296 -7.473) 7.818 16.790 ( 0.000 5.829 3.285) 6.691 16.852 ( 0.000 3.498 -3.683) 5.079 19.005 ( -0.000 2.819 10.764) 11.127 19.045 ( 0.000 3.565 10.935) 11.502 19.177 ( 0.000 -0.398 -6.476) 6.488 19.201 ( 0.000 0.305 -4.452) 4.462 20.542 ( 0.000 -3.696 1.350) 3.935 20.623 ( 0.000 -5.358 -6.649) 8.539 20.633 ( -0.000 -2.522 4.505) 5.163 20.788 ( 0.000 -4.363 -11.063) 11.893 21.068 ( 0.000 -3.217 5.318) 6.216 21.144 ( 0.000 -4.268 -2.542) 4.968 21.191 ( 0.000 -2.937 9.124) 9.585 21.347 ( 0.000 -2.593 -7.238) 7.689 21.500 ( 0.000 -5.958 4.346) 7.375 21.618 ( 0.000 -6.494 -7.298) 9.769 21.848 ( 0.000 -4.745 8.891) 10.078 21.920 ( 0.000 -5.005 2.239) 5.483 22.070 ( 0.000 -2.142 -1.105) 2.410 22.089 ( 0.000 -2.371 4.396) 4.995 22.090 ( 0.000 -3.793 -4.492) 5.879 22.159 ( 0.000 -3.358 -2.983) 4.492 22.935 ( 0.000 -4.824 6.764) 8.308 23.071 ( 0.000 -6.662 -7.021) 9.679 23.163 ( 0.000 -3.287 5.341) 6.272 23.231 ( 0.000 -3.749 -2.094) 4.294 23.961 ( -0.000 -0.406 0.427) 0.589 23.984 ( -0.000 -0.918 -1.952) 2.157 24.010 ( 0.000 -0.897 0.378) 0.974 24.025 ( 0.000 -0.532 -1.249) 1.357 24.459 ( 0.000 8.853 0.748) 8.885 24.501 ( 0.000 8.633 -3.562) 9.339 24.583 ( 0.000 8.176 2.274) 8.486 24.645 ( 0.000 6.536 -4.435) 7.899 24.846 ( 0.000 6.547 1.872) 6.809 24.887 ( 0.000 4.395 -2.620) 5.116 25.132 ( 0.000 4.778 3.577) 5.969 25.168 ( 0.000 3.890 -0.100) 3.891 25.928 ( 0.000 0.987 0.781) 1.259 25.953 ( 0.000 0.159 -1.766) 1.773 26.016 ( 0.000 1.955 1.473) 2.448 26.037 ( 0.000 1.380 -0.629) 1.516 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 -0.292 3.265) 3.278 1.376 ( 0.000 0.313 1.750) 1.778 1.476 ( 0.000 -7.171 4.291) 8.357 1.588 ( 0.000 -10.048 -4.261) 10.914 1.664 ( 0.000 -2.902 3.958) 4.908 1.718 ( 0.000 -6.674 -0.982) 6.745 1.881 ( 0.000 1.698 3.325) 3.733 1.917 ( 0.000 3.648 -3.073) 4.770 2.045 ( 0.000 7.929 4.381) 9.059 2.077 ( 0.000 3.255 -1.885) 3.761 2.179 ( 0.000 1.228 1.700) 2.097 2.181 ( 0.000 -1.514 2.536) 2.954 2.336 ( 0.000 0.654 5.950) 5.986 2.409 ( 0.000 -2.779 6.677) 7.232 2.522 ( 0.000 2.156 5.939) 6.319 2.584 ( 0.000 -1.742 -0.946) 1.982 2.619 ( 0.000 4.098 -1.980) 4.552 2.730 ( 0.000 -2.216 -0.966) 2.417 2.846 ( 0.000 2.111 11.085) 11.284 2.906 ( 0.000 -1.049 2.804) 2.994 2.922 ( 0.000 -0.242 0.159) 0.289 3.014 ( 0.000 -1.730 -6.316) 6.549 3.151 ( 0.000 1.946 4.870) 5.245 3.195 ( 0.000 1.269 7.145) 7.257 3.257 ( 0.000 -0.301 -1.179) 1.217 3.280 ( 0.000 1.115 1.076) 1.550 3.394 ( 0.000 -1.692 -2.188) 2.766 3.477 ( 0.000 4.453 7.887) 9.057 3.483 ( 0.000 -2.046 -5.224) 5.611 3.550 ( 0.000 -3.431 -0.283) 3.442 3.563 ( 0.000 5.858 7.209) 9.289 3.630 ( 0.000 2.385 6.615) 7.032 3.703 ( 0.000 5.604 -8.522) 10.199 3.755 ( 0.000 2.672 -1.271) 2.959 3.869 ( 0.000 -1.539 -3.808) 4.107 3.910 ( 0.000 0.146 -9.051) 9.052 4.091 ( 0.000 6.856 -1.957) 7.130 4.141 ( 0.000 7.905 -6.173) 10.030 4.296 ( 0.000 -0.476 -1.166) 1.259 4.315 ( 0.000 3.191 -2.211) 3.882 4.371 ( 0.000 -6.364 -0.558) 6.389 4.445 ( 0.000 -1.497 -8.047) 8.185 4.542 ( 0.000 2.212 6.348) 6.722 4.653 ( 0.000 -1.241 1.724) 2.125 4.662 ( 0.000 0.775 2.674) 2.784 4.696 ( 0.000 -0.059 -6.184) 6.184 4.779 ( 0.000 4.839 -0.774) 4.900 4.803 ( 0.000 6.036 -2.783) 6.647 4.940 ( 0.000 2.586 2.351) 3.495 4.959 ( 0.000 -4.039 -0.463) 4.065 5.030 ( 0.000 1.509 0.029) 1.509 5.045 ( 0.000 0.622 -2.681) 2.752 5.134 ( 0.000 -1.527 -1.916) 2.450 5.139 ( 0.000 -1.969 -1.772) 2.649 5.163 ( 0.000 -5.687 -1.183) 5.809 5.203 ( 0.000 -3.541 -4.831) 5.990 5.441 ( 0.000 1.257 1.837) 2.226 5.459 ( 0.000 -0.975 2.547) 2.727 5.527 ( 0.000 1.933 0.283) 1.954 5.552 ( 0.000 0.940 -4.235) 4.338 5.793 ( 0.000 -3.756 3.355) 5.036 5.793 ( 0.000 -1.411 1.066) 1.769 5.830 ( 0.000 -2.240 -1.485) 2.688 5.847 ( 0.000 -2.625 -2.471) 3.605 5.987 ( 0.000 1.450 0.093) 1.453 5.989 ( 0.000 -0.322 0.531) 0.621 6.103 ( 0.000 5.664 1.595) 5.885 6.127 ( 0.000 2.975 0.381) 3.000 6.210 ( 0.000 2.308 0.341) 2.333 6.215 ( 0.000 4.570 -0.524) 4.600 6.366 ( 0.000 2.079 -0.613) 2.167 6.406 ( 0.000 -0.895 -4.118) 4.214 6.515 ( 0.000 -2.579 1.742) 3.112 6.544 ( 0.000 0.354 1.814) 1.848 6.701 ( 0.000 3.453 -0.393) 3.476 6.717 ( 0.000 9.658 0.868) 9.697 6.770 ( 0.000 -0.137 6.665) 6.667 6.848 ( 0.000 -4.642 -1.460) 4.866 7.018 ( 0.000 2.086 5.833) 6.195 7.138 ( 0.000 0.833 -6.913) 6.963 7.296 ( 0.000 -1.227 8.123) 8.216 7.350 ( 0.000 -1.647 -0.357) 1.685 7.489 ( 0.000 2.936 -2.827) 4.076 7.564 ( 0.000 1.642 -7.104) 7.292 7.875 ( 0.000 11.032 2.858) 11.396 7.875 ( 0.000 1.479 3.166) 3.494 8.027 ( 0.000 7.413 -2.690) 7.886 8.045 ( 0.000 -1.040 -4.938) 5.046 8.168 ( 0.000 -0.369 5.509) 5.522 8.210 ( 0.000 -1.714 1.084) 2.028 8.361 ( 0.000 -2.605 7.945) 8.361 8.400 ( 0.000 -0.611 10.176) 10.195 8.548 ( 0.000 2.258 -5.515) 5.959 8.578 ( 0.000 -0.808 -2.977) 3.084 8.690 ( 0.000 -2.678 -6.824) 7.331 8.706 ( 0.000 1.121 -7.860) 7.939 8.956 ( 0.000 3.496 2.034) 4.044 8.979 ( 0.000 0.728 0.821) 1.097 9.099 ( 0.000 -2.838 0.670) 2.916 9.119 ( 0.000 -0.846 -1.997) 2.169 9.347 ( 0.000 0.094 -2.004) 2.006 9.348 ( 0.000 2.593 -0.733) 2.695 9.499 ( 0.000 -2.167 1.432) 2.597 9.535 ( 0.000 -2.516 -1.256) 2.812 9.803 ( 0.000 -0.399 0.220) 0.456 9.810 ( 0.000 -1.196 -0.631) 1.353 10.050 ( 0.000 -2.605 6.421) 6.929 10.110 ( 0.000 -5.327 0.452) 5.346 10.225 ( 0.000 -6.841 2.174) 7.178 10.235 ( 0.000 -6.911 0.907) 6.970 10.821 ( 0.000 -2.546 1.256) 2.839 10.850 ( 0.000 -4.444 -1.819) 4.802 12.069 ( 0.000 -0.932 0.220) 0.957 12.099 ( 0.000 -2.372 -3.058) 3.870 12.373 ( 0.000 1.498 2.663) 3.055 12.401 ( 0.000 -0.228 -0.292) 0.371 13.003 ( 0.000 -4.324 0.400) 4.343 13.023 ( 0.000 -5.443 -1.225) 5.579 13.100 ( 0.000 -4.095 2.190) 4.644 13.113 ( 0.000 -3.635 1.937) 4.119 13.262 ( 0.000 1.031 -0.944) 1.398 13.302 ( 0.000 0.018 -4.285) 4.285 13.589 ( 0.000 1.590 2.790) 3.211 13.613 ( 0.000 0.032 0.081) 0.087 13.722 ( 0.000 2.655 0.201) 2.663 13.731 ( 0.000 1.545 -0.801) 1.741 14.007 ( 0.000 -1.184 0.954) 1.520 14.028 ( 0.000 -1.965 -1.164) 2.284 14.174 ( 0.000 0.253 1.483) 1.505 14.202 ( 0.000 -1.024 -1.385) 1.723 14.272 ( 0.000 -0.610 1.053) 1.217 14.285 ( 0.000 -0.837 -0.539) 0.996 14.359 ( 0.000 -3.281 0.784) 3.373 14.374 ( 0.000 -4.195 -0.700) 4.253 14.522 ( 0.000 0.070 1.671) 1.673 14.529 ( 0.000 -0.345 1.288) 1.333 14.854 ( 0.000 0.997 -1.360) 1.686 14.868 ( 0.000 0.336 -2.852) 2.872 14.982 ( 0.000 -1.241 0.455) 1.322 14.989 ( 0.000 -1.621 -0.309) 1.650 15.141 ( 0.000 0.642 0.631) 0.900 15.145 ( 0.000 0.693 0.039) 0.694 15.304 ( 0.000 -0.421 1.213) 1.284 15.324 ( 0.000 -2.237 -0.637) 2.326 15.789 ( 0.000 4.364 2.796) 5.183 15.806 ( 0.000 3.540 1.274) 3.763 16.532 ( 0.000 6.139 -0.948) 6.212 16.548 ( 0.000 5.164 -2.645) 5.802 16.636 ( 0.000 2.967 -1.846) 3.494 16.650 ( 0.000 2.218 -2.687) 3.484 16.883 ( 0.000 2.607 1.886) 3.217 16.910 ( 0.000 0.598 -1.121) 1.270 19.041 ( 0.000 2.696 8.501) 8.918 19.131 ( 0.000 3.151 6.667) 7.374 19.138 ( 0.000 -2.643 -0.415) 2.676 19.210 ( 0.000 -0.349 -1.723) 1.758 20.464 ( 0.000 -1.641 -1.170) 2.015 20.502 ( 0.000 -4.069 -4.632) 6.165 20.648 ( 0.000 -1.481 1.043) 1.811 20.734 ( 0.000 -4.768 -6.692) 8.217 20.911 ( 0.000 -3.007 -1.438) 3.333 20.939 ( 0.000 -3.863 -3.609) 5.287 21.198 ( 0.000 0.920 6.553) 6.617 21.282 ( 0.000 -3.724 -1.651) 4.074 21.544 ( 0.000 -2.450 1.911) 3.108 21.577 ( 0.000 -3.911 -1.290) 4.118 21.828 ( 0.000 -1.194 5.653) 5.778 21.850 ( 0.000 -0.923 5.548) 5.624 21.954 ( 0.000 -0.639 -0.295) 0.704 21.996 ( 0.000 -1.723 -2.329) 2.897 22.141 ( 0.000 -1.985 -1.367) 2.410 22.155 ( 0.000 -2.712 -3.009) 4.050 22.888 ( 0.000 -0.189 2.801) 2.808 22.965 ( 0.000 -3.930 -4.853) 6.244 23.139 ( 0.000 0.128 3.515) 3.517 23.179 ( 0.000 -1.771 -0.696) 1.903 23.801 ( 0.000 -2.119 -1.336) 2.505 23.803 ( 0.000 -2.074 -1.471) 2.543 24.095 ( 0.000 -0.082 0.061) 0.102 24.099 ( 0.000 -0.120 -0.272) 0.298 24.509 ( 0.000 1.970 0.845) 2.143 24.529 ( 0.000 1.193 -1.332) 1.788 24.693 ( 0.000 1.188 -0.471) 1.278 24.701 ( 0.000 0.416 -1.205) 1.275 25.013 ( 0.000 7.786 -0.002) 7.786 25.014 ( 0.000 8.283 -0.001) 8.283 25.283 ( 0.000 2.429 0.675) 2.521 25.283 ( 0.000 2.476 0.840) 2.614 25.900 ( 0.000 1.090 0.115) 1.096 25.912 ( 0.000 0.572 -1.227) 1.353 26.109 ( 0.000 1.255 0.600) 1.391 26.114 ( 0.000 1.089 0.014) 1.089 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.294 -3.946 4.557) 6.035 1.418 ( 2.189 -3.228 1.000) 4.027 1.465 ( 2.390 -5.224 3.474) 6.714 1.575 ( 1.488 -6.252 -4.290) 7.727 1.665 ( -3.009 -3.580 2.952) 5.531 1.703 ( -0.819 -6.298 -1.652) 6.563 1.927 ( 3.674 1.082 8.106) 8.965 1.997 ( 2.709 -0.885 -1.562) 3.250 2.100 ( 5.163 8.421 3.232) 10.393 2.147 ( 7.929 1.987 -3.602) 8.932 2.200 ( 1.706 4.278 6.461) 7.935 2.274 ( 5.979 1.185 2.271) 6.505 2.376 ( 4.943 1.288 1.857) 5.435 2.410 ( -0.279 -1.437 5.605) 5.793 2.510 ( -0.282 4.382 -2.500) 5.052 2.561 ( -1.752 -0.859 -2.819) 3.429 2.617 ( 2.106 3.746 5.997) 7.378 2.744 ( 2.164 -0.977 -0.399) 2.407 2.831 ( -0.813 1.167 12.210) 12.293 2.888 ( -1.222 -0.199 6.434) 6.552 2.948 ( 0.332 -0.267 0.393) 0.579 3.025 ( 0.102 -1.909 -2.166) 2.888 3.093 ( -2.932 -1.855 2.779) 4.445 3.168 ( -2.828 0.063 1.360) 3.138 3.228 ( -2.625 -0.082 -1.282) 2.922 3.254 ( -1.511 -0.388 0.733) 1.723 3.353 ( -2.938 -1.320 -0.680) 3.292 3.436 ( -2.410 -1.457 -5.361) 6.056 3.523 ( -1.170 -0.177 4.045) 4.214 3.551 ( 1.019 4.319 0.602) 4.478 3.595 ( 3.149 -0.824 1.950) 3.795 3.633 ( -1.719 0.777 2.590) 3.205 3.718 ( 0.462 8.420 -0.331) 8.439 3.747 ( 0.676 6.011 -2.078) 6.396 3.840 ( -1.684 1.079 0.733) 2.130 3.967 ( 3.624 0.414 -7.730) 8.547 4.082 ( 0.046 5.906 -1.233) 6.034 4.155 ( -0.355 5.859 -7.072) 9.190 4.203 ( -4.677 1.278 -1.480) 5.069 4.259 ( -4.389 -0.352 -5.307) 6.896 4.386 ( 1.157 -4.142 0.934) 4.401 4.454 ( 1.049 -3.154 -6.691) 7.471 4.558 ( -1.426 0.589 4.731) 4.977 4.595 ( -5.333 0.184 2.342) 5.828 4.668 ( 0.690 2.690 0.376) 2.803 4.692 ( -1.068 1.553 -2.360) 3.020 4.756 ( -3.806 2.658 -0.768) 4.705 4.772 ( -2.747 3.798 -4.614) 6.578 4.889 ( -0.435 -3.176 1.643) 3.602 4.913 ( -1.863 -0.542 -2.216) 2.945 5.008 ( -0.432 0.241 2.018) 2.078 5.052 ( -2.015 1.384 -1.740) 3.001 5.125 ( -0.151 -2.883 -1.468) 3.238 5.140 ( 1.196 -1.402 -2.723) 3.288 5.190 ( 0.944 -3.897 -0.157) 4.013 5.257 ( 2.864 -3.916 -5.334) 7.210 5.436 ( 0.949 2.944 2.188) 3.789 5.474 ( 1.577 -0.739 1.752) 2.470 5.508 ( -0.152 1.950 1.496) 2.463 5.595 ( 2.044 0.697 -4.429) 4.928 5.712 ( -6.735 2.157 1.561) 7.242 5.764 ( -5.524 -0.360 -2.038) 5.899 5.819 ( 0.996 -3.635 0.970) 3.892 5.863 ( 1.450 -4.689 -1.619) 5.168 5.896 ( -3.163 0.967 1.300) 3.554 5.953 ( -3.838 1.036 -2.833) 4.881 6.149 ( 4.081 0.912 2.662) 4.957 6.183 ( 3.620 -0.913 -0.757) 3.810 6.256 ( 1.305 3.502 0.428) 3.762 6.268 ( 2.923 3.806 -0.996) 4.901 6.392 ( 3.608 3.744 3.254) 6.134 6.470 ( 4.882 3.940 -4.238) 7.571 6.533 ( 1.154 0.169 2.220) 2.508 6.583 ( 2.746 1.755 -0.055) 3.260 6.688 ( -1.419 5.585 2.856) 6.432 6.727 ( 1.136 1.799 1.437) 2.568 6.787 ( 2.507 -0.431 4.698) 5.342 6.863 ( 2.098 -2.484 -0.561) 3.299 7.048 ( 2.411 2.170 4.996) 5.956 7.149 ( -0.832 -0.725 -5.632) 5.739 7.247 ( -2.913 1.226 4.018) 5.112 7.321 ( -1.933 0.217 -0.760) 2.088 7.474 ( -3.308 3.272 -2.403) 5.236 7.534 ( -2.393 1.896 -5.450) 6.247 7.790 ( -3.505 2.153 2.485) 4.806 7.864 ( -1.084 1.674 -0.974) 2.220 7.979 ( -5.241 0.739 2.127) 5.704 8.046 ( -5.243 0.503 -0.967) 5.355 8.122 ( 0.150 0.415 3.191) 3.221 8.175 ( -0.268 3.991 1.773) 4.376 8.378 ( 2.591 -0.914 5.660) 6.292 8.498 ( 4.988 -0.915 4.039) 6.483 8.537 ( -1.168 0.751 -1.749) 2.233 8.554 ( -0.905 2.955 -2.090) 3.731 8.667 ( -2.375 -2.025 -3.941) 5.027 8.769 ( 5.405 -0.226 -7.985) 9.645 8.995 ( 1.295 1.047 1.030) 1.958 9.015 ( 4.297 2.532 -0.550) 5.018 9.106 ( 0.098 -0.326 0.672) 0.754 9.129 ( 0.158 -0.365 -1.178) 1.244 9.310 ( -1.198 -0.148 0.481) 1.299 9.361 ( 0.026 -0.847 -4.744) 4.819 9.489 ( -0.319 -0.669 4.402) 4.464 9.564 ( 1.409 -1.656 -3.192) 3.862 9.776 ( -0.668 -2.037 2.437) 3.246 9.820 ( 0.407 -2.597 -2.320) 3.506 10.022 ( -1.918 -3.245 5.821) 6.934 10.076 ( -2.773 -5.121 -0.103) 5.825 10.316 ( 9.074 -4.304 5.106) 11.266 10.354 ( 9.331 -6.483 0.865) 11.395 10.747 ( -7.176 -2.424 0.310) 7.580 10.778 ( -7.069 -4.415 -2.816) 8.797 12.059 ( -0.576 -1.524 1.243) 2.049 12.115 ( 1.003 -1.812 -4.617) 5.061 12.381 ( 0.816 1.158 4.178) 4.411 12.432 ( 2.331 0.156 -1.264) 2.656 13.016 ( 1.360 -4.551 1.213) 4.902 13.047 ( 2.164 -4.929 -1.569) 5.607 13.090 ( -0.904 -4.125 2.135) 4.732 13.116 ( 0.026 -3.917 0.881) 4.015 13.250 ( -1.076 0.832 0.145) 1.368 13.312 ( 0.770 -0.217 -5.063) 5.126 13.574 ( -0.629 2.195 3.217) 3.945 13.613 ( -0.131 0.923 -0.748) 1.195 13.750 ( 3.408 2.175 1.293) 4.244 13.776 ( 3.973 0.797 -1.346) 4.269 13.994 ( -2.306 -0.344 1.328) 2.683 14.019 ( -1.643 -0.713 -1.136) 2.121 14.178 ( 0.411 0.157 1.129) 1.212 14.202 ( 0.097 -0.988 -1.378) 1.698 14.248 ( -1.795 -0.295 1.488) 2.350 14.274 ( -1.418 -1.180 -1.101) 2.149 14.348 ( -0.056 -3.194 1.605) 3.575 14.374 ( -0.175 -3.544 -1.126) 3.722 14.449 ( -5.135 -1.210 2.591) 5.877 14.477 ( -5.128 -2.044 -0.227) 5.525 14.839 ( -0.981 0.900 -0.365) 1.381 14.870 ( -0.096 0.217 -3.602) 3.610 14.970 ( -0.785 -0.397 0.670) 1.105 14.984 ( -0.143 -0.974 -0.845) 1.298 15.120 ( -0.690 -0.606 1.265) 1.564 15.140 ( -0.042 -1.015 -0.728) 1.249 15.338 ( 1.446 -1.101 2.913) 3.434 15.383 ( 4.035 0.261 -1.429) 4.288 15.845 ( 6.176 3.193 6.592) 9.581 15.938 ( 11.190 4.205 -1.751) 12.082 16.410 ( -9.724 4.908 -0.357) 10.898 16.471 ( -6.485 5.350 -5.677) 10.144 16.662 ( 1.961 3.610 0.609) 4.153 16.707 ( 2.723 1.729 -3.888) 5.051 16.880 ( -0.247 2.800 1.917) 3.402 16.906 ( -0.328 1.073 -0.965) 1.480 19.050 ( 0.839 2.802 8.195) 8.701 19.121 ( -0.755 2.677 6.930) 7.468 19.149 ( 0.785 -1.706 -0.712) 2.008 19.204 ( -0.588 -0.557 -1.246) 1.486 20.468 ( 0.421 -2.108 -1.165) 2.445 20.509 ( 0.620 -4.432 -4.892) 6.630 20.609 ( -2.686 -2.582 1.476) 4.008 20.718 ( -1.695 -3.879 -9.742) 10.622 20.944 ( 4.727 -3.519 3.902) 7.068 21.028 ( 5.950 -1.633 -4.825) 7.832 21.181 ( -1.998 -0.004 7.198) 7.470 21.282 ( 0.312 -3.316 -2.784) 4.341 21.494 ( -4.688 -2.047 1.789) 5.419 21.552 ( -2.194 -3.492 -3.595) 5.471 21.786 ( -2.331 -2.430 7.749) 8.449 21.851 ( -0.610 -1.717 3.519) 3.963 21.980 ( 2.493 -1.249 0.124) 2.791 22.028 ( 2.484 -0.771 -2.642) 3.708 22.107 ( -2.908 -1.686 -0.750) 3.445 22.137 ( -1.844 -2.225 -3.002) 4.167 22.891 ( 0.172 -0.256 3.130) 3.145 22.970 ( 0.405 -3.735 -4.862) 6.144 23.133 ( -0.484 -0.429 4.092) 4.143 23.181 ( 0.107 -1.620 -0.992) 1.903 23.855 ( 5.102 -1.961 -1.006) 5.558 23.858 ( 4.993 -1.722 -1.185) 5.413 24.063 ( -3.363 -0.509 -0.050) 3.402 24.067 ( -3.157 -0.410 -0.458) 3.216 24.532 ( 2.224 2.038 0.825) 3.128 24.556 ( 2.584 1.381 -1.531) 3.306 24.672 ( -2.109 0.629 -0.266) 2.217 24.683 ( -1.867 0.103 -1.372) 2.319 25.025 ( 1.181 8.284 -0.048) 8.368 25.029 ( 1.313 8.217 -0.470) 8.334 25.253 ( -2.471 3.124 1.438) 4.235 25.263 ( -1.938 2.645 0.552) 3.325 25.923 ( 2.110 1.150 0.039) 2.403 25.933 ( 1.941 0.655 -1.040) 2.297 26.086 ( -2.367 1.161 0.373) 2.663 26.087 ( -2.158 1.047 0.230) 2.409 ======================= Grid point 107 (42/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 -7.920 5.522) 9.655 1.434 ( 0.000 -8.409 -1.372) 8.521 1.538 ( -0.000 -1.432 4.400) 4.627 1.592 ( -0.000 -2.629 -1.125) 2.859 1.603 ( 0.000 -1.391 2.848) 3.170 1.715 ( 0.000 -5.077 -7.321) 8.909 1.942 ( 0.000 -7.013 11.493) 13.464 2.016 ( 0.000 -2.645 5.325) 5.945 2.183 ( -0.000 7.764 -1.673) 7.942 2.215 ( 0.000 5.371 6.170) 8.180 2.230 ( 0.000 2.646 -4.260) 5.015 2.359 ( -0.000 4.883 3.335) 5.913 2.377 ( 0.000 4.526 8.652) 9.764 2.457 ( 0.000 -0.074 -1.850) 1.851 2.482 ( 0.000 4.918 -7.149) 8.678 2.548 ( 0.000 4.164 -6.247) 7.507 2.723 ( -0.000 0.261 15.204) 15.206 2.800 ( -0.000 0.961 8.370) 8.425 2.857 ( -0.000 -0.507 7.844) 7.860 2.871 ( 0.000 -0.472 1.553) 1.623 2.883 ( 0.000 -0.227 1.846) 1.860 2.997 ( 0.000 -4.472 6.514) 7.901 3.099 ( 0.000 -4.928 -7.903) 9.314 3.109 ( 0.000 2.463 -1.807) 3.055 3.207 ( 0.000 -1.774 3.798) 4.191 3.289 ( 0.000 3.311 0.179) 3.316 3.302 ( -0.000 -1.816 -4.262) 4.633 3.352 ( 0.000 -3.101 -3.185) 4.445 3.495 ( 0.000 -1.946 5.017) 5.381 3.569 ( -0.000 4.168 -1.729) 4.512 3.578 ( 0.000 -2.484 -4.426) 5.075 3.638 ( 0.000 0.077 -2.464) 2.465 3.735 ( 0.000 16.306 2.974) 16.575 3.770 ( 0.000 7.629 -2.516) 8.034 3.801 ( 0.000 -1.618 9.012) 9.156 4.015 ( 0.000 -1.299 -9.560) 9.648 4.081 ( -0.000 2.042 2.119) 2.943 4.121 ( 0.000 3.933 -0.021) 3.933 4.199 ( 0.000 -0.767 -8.360) 8.395 4.205 ( 0.000 5.617 -7.945) 9.730 4.414 ( 0.000 -4.478 2.297) 5.033 4.488 ( 0.000 -3.351 -5.800) 6.699 4.490 ( 0.000 -2.390 1.539) 2.843 4.515 ( 0.000 2.110 -0.395) 2.146 4.672 ( 0.000 -4.304 1.832) 4.678 4.681 ( 0.000 7.989 1.985) 8.232 4.718 ( -0.000 9.416 -0.090) 9.416 4.722 ( 0.000 -2.409 -2.498) 3.471 4.885 ( 0.000 -1.747 1.655) 2.407 4.961 ( -0.000 -6.653 -6.723) 9.458 4.964 ( 0.000 3.308 1.461) 3.617 5.028 ( 0.000 1.353 -4.631) 4.824 5.136 ( -0.000 -3.182 0.462) 3.216 5.166 ( 0.000 -3.583 -3.538) 5.036 5.177 ( 0.000 -2.607 3.266) 4.179 5.271 ( 0.000 -3.851 -4.479) 5.907 5.486 ( 0.000 4.918 5.103) 7.087 5.518 ( -0.000 0.424 2.918) 2.948 5.524 ( 0.000 1.694 2.377) 2.919 5.565 ( 0.000 2.337 -2.045) 3.105 5.620 ( -0.000 0.629 -4.293) 4.339 5.696 ( 0.000 2.978 -9.467) 9.924 5.832 ( 0.000 -0.723 5.145) 5.196 5.862 ( -0.000 -4.956 1.060) 5.068 5.890 ( 0.000 -1.564 -0.632) 1.687 5.912 ( -0.000 -3.008 -4.453) 5.373 6.217 ( 0.000 -0.366 0.938) 1.007 6.230 ( 0.000 -0.706 -0.011) 0.706 6.231 ( 0.000 2.720 3.369) 4.329 6.296 ( 0.000 2.748 -2.574) 3.765 6.466 ( 0.000 8.467 5.839) 10.285 6.501 ( 0.000 1.559 1.660) 2.277 6.567 ( -0.000 9.395 -3.741) 10.112 6.578 ( 0.000 -0.695 -4.967) 5.015 6.672 ( 0.000 1.717 6.175) 6.409 6.742 ( 0.000 3.294 1.384) 3.573 6.857 ( 0.000 -0.405 4.843) 4.860 6.926 ( 0.000 -3.242 11.240) 11.698 7.026 ( 0.000 1.259 -8.561) 8.653 7.099 ( 0.000 -2.915 -5.537) 6.258 7.282 ( 0.000 4.691 3.660) 5.950 7.295 ( 0.000 3.823 8.103) 8.960 7.392 ( 0.000 0.460 -6.595) 6.611 7.502 ( 0.000 4.988 -11.137) 12.203 7.773 ( 0.000 -8.216 6.302) 10.355 7.862 ( 0.000 5.384 5.939) 8.017 7.919 ( 0.000 -4.201 -5.026) 6.550 7.950 ( -0.000 1.498 -2.854) 3.223 8.127 ( 0.000 2.116 4.548) 5.016 8.186 ( 0.000 4.547 2.600) 5.237 8.428 ( 0.000 2.321 8.002) 8.332 8.477 ( 0.000 -2.423 -1.941) 3.104 8.552 ( 0.000 4.140 -4.095) 5.823 8.584 ( 0.000 -1.091 -10.381) 10.438 8.624 ( -0.000 -0.042 10.286) 10.286 8.845 ( 0.000 -0.059 -11.044) 11.045 8.989 ( -0.000 -0.110 6.241) 6.242 9.093 ( -0.000 2.203 0.789) 2.340 9.104 ( -0.247 0.512 -5.584) 5.613 9.104 ( 0.247 2.605 -0.790) 2.733 9.301 ( 0.000 -1.684 2.013) 2.625 9.368 ( 0.000 -3.538 -5.198) 6.288 9.484 ( 0.000 0.803 5.354) 5.414 9.574 ( 0.000 -0.872 -4.096) 4.188 9.778 ( 0.000 -2.927 3.176) 4.319 9.829 ( 0.000 -3.764 -2.393) 4.460 9.997 ( 0.000 -3.053 5.065) 5.914 10.042 ( 0.000 -5.310 0.154) 5.312 10.475 ( 0.000 -4.235 8.989) 9.937 10.495 ( 0.000 -3.909 8.434) 9.295 10.628 ( -0.000 -3.622 -7.067) 7.941 10.641 ( 0.000 -3.887 -6.837) 7.865 12.053 ( 0.000 -1.750 1.876) 2.566 12.125 ( 0.000 -1.608 -5.746) 5.967 12.392 ( 0.000 1.086 5.351) 5.460 12.459 ( 0.000 0.248 -1.932) 1.948 13.039 ( 0.000 -4.543 2.474) 5.173 13.072 ( 0.000 -4.218 1.760) 4.570 13.083 ( 0.000 -4.342 -2.115) 4.830 13.109 ( -0.000 -4.451 -0.628) 4.495 13.236 ( 0.000 0.618 1.647) 1.759 13.320 ( 0.000 -0.493 -5.756) 5.777 13.571 ( 0.000 3.055 3.410) 4.578 13.612 ( 0.000 1.636 -0.863) 1.850 13.815 ( 0.000 -0.016 1.304) 1.304 13.849 ( 0.000 -0.481 -2.262) 2.313 13.926 ( 0.000 2.477 3.396) 4.203 13.976 ( 0.000 1.824 -1.605) 2.430 14.179 ( 0.000 -0.168 0.781) 0.799 14.203 ( 0.000 -1.206 -1.681) 2.069 14.234 ( 0.000 0.129 1.866) 1.870 14.262 ( 0.000 -1.228 -0.988) 1.576 14.362 ( 0.000 -3.726 0.987) 3.855 14.371 ( 0.000 -3.896 0.090) 3.897 14.388 ( 0.000 -2.347 1.311) 2.688 14.403 ( -0.000 -2.999 -0.067) 3.000 14.829 ( 0.000 0.905 0.023) 0.906 14.868 ( 0.000 0.135 -4.156) 4.158 14.964 ( 0.000 -0.141 1.059) 1.069 14.983 ( 0.000 -0.950 -0.930) 1.330 15.117 ( 0.000 -0.925 1.250) 1.555 15.141 ( 0.000 -1.932 -1.268) 2.311 15.352 ( 0.000 -0.396 4.621) 4.638 15.423 ( 0.000 0.455 -2.224) 2.270 15.934 ( 0.000 2.609 10.223) 10.551 16.155 ( 0.000 3.898 -12.555) 13.146 16.212 ( 0.000 4.958 9.495) 10.711 16.386 ( 0.000 5.593 -8.795) 10.422 16.682 ( 0.000 3.512 1.036) 3.661 16.734 ( 0.000 0.998 -4.351) 4.464 16.877 ( 0.000 3.054 2.017) 3.660 16.902 ( 0.000 1.606 -0.800) 1.794 19.062 ( -0.000 2.892 7.647) 8.176 19.111 ( 0.000 3.031 8.000) 8.555 19.160 ( 0.000 -1.421 -2.024) 2.473 19.195 ( 0.000 -0.922 -0.316) 0.975 20.474 ( 0.000 -2.760 -1.225) 3.020 20.518 ( 0.000 -4.885 -5.453) 7.321 20.578 ( 0.000 -2.607 2.096) 3.345 20.697 ( 0.000 -3.896 -10.486) 11.186 21.022 ( -0.000 -1.617 5.061) 5.313 21.100 ( 0.000 -0.747 -2.874) 2.969 21.137 ( 0.000 -2.131 8.492) 8.755 21.297 ( 0.000 -2.074 -8.130) 8.391 21.421 ( 0.000 -2.445 4.272) 4.922 21.524 ( 0.000 -3.135 -5.844) 6.632 21.763 ( 0.000 -3.140 8.659) 9.211 21.843 ( 0.000 -2.673 3.238) 4.199 22.022 ( 0.000 -1.462 -2.357) 2.774 22.058 ( -0.000 -0.895 2.375) 2.538 22.066 ( 0.000 -0.562 -3.655) 3.698 22.105 ( 0.000 -2.029 -2.622) 3.316 22.893 ( 0.000 -0.288 3.470) 3.482 22.975 ( 0.000 -3.571 -4.937) 6.093 23.127 ( 0.000 -0.823 4.575) 4.648 23.182 ( 0.000 -1.589 -1.197) 1.990 23.943 ( -0.000 -0.977 0.156) 0.989 23.958 ( -0.000 -1.283 -1.553) 2.015 23.981 ( 0.000 -1.395 0.690) 1.556 24.004 ( 0.000 -1.151 -1.664) 2.023 24.568 ( 0.000 2.904 0.989) 3.068 24.606 ( 0.000 2.630 -2.874) 3.896 24.630 ( 0.000 -0.313 0.711) 0.777 24.649 ( 0.000 -1.643 -1.333) 2.116 25.042 ( 0.000 8.468 -0.412) 8.478 25.048 ( 0.000 8.503 -0.973) 8.558 25.220 ( 0.000 3.696 2.240) 4.322 25.237 ( 0.000 2.838 0.562) 2.893 25.954 ( 0.000 1.388 0.002) 1.388 25.964 ( 0.000 0.773 -1.065) 1.316 26.047 ( 0.000 1.174 0.887) 1.471 26.057 ( 0.000 0.683 -0.131) 0.695 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 -0.530 5.414) 5.440 1.339 ( 0.000 0.530 5.414) 5.440 1.441 ( 0.000 -2.866 -1.746) 3.356 1.441 ( 0.000 2.866 -1.746) 3.356 1.627 ( 0.000 -1.007 -2.209) 2.428 1.627 ( 0.000 1.007 -2.209) 2.428 1.940 ( 0.000 -1.553 3.386) 3.725 1.940 ( 0.000 1.553 3.386) 3.725 2.115 ( 0.000 -0.445 5.093) 5.113 2.115 ( 0.000 0.445 5.093) 5.113 2.204 ( 0.000 -0.835 1.630) 1.831 2.204 ( 0.000 0.835 1.630) 1.831 2.343 ( 0.000 -1.793 1.794) 2.537 2.343 ( 0.000 1.793 1.794) 2.537 2.568 ( 0.000 -1.509 1.340) 2.018 2.568 ( 0.000 1.509 1.340) 2.018 2.661 ( 0.000 -2.377 2.728) 3.618 2.661 ( 0.000 2.377 2.728) 3.618 2.889 ( 0.000 -0.701 1.511) 1.666 2.889 ( 0.000 0.701 1.511) 1.666 2.958 ( 0.000 -3.382 -1.333) 3.635 2.958 ( 0.000 3.382 -1.333) 3.635 3.179 ( 0.000 -0.809 8.437) 8.476 3.179 ( 0.000 0.809 8.437) 8.476 3.276 ( 0.000 -0.983 0.662) 1.185 3.276 ( 0.000 0.983 0.662) 1.185 3.385 ( 0.000 -2.575 -6.847) 7.315 3.385 ( 0.000 2.575 -6.847) 7.315 3.515 ( 0.000 -1.538 4.549) 4.802 3.515 ( 0.000 1.538 4.549) 4.802 3.634 ( 0.000 -0.516 2.501) 2.553 3.634 ( 0.000 0.516 2.501) 2.553 3.839 ( 0.000 -0.087 -0.059) 0.105 3.839 ( 0.000 0.087 -0.059) 0.105 3.895 ( 0.000 -2.928 -5.145) 5.920 3.895 ( 0.000 2.928 -5.145) 5.920 4.202 ( 0.000 -2.127 -2.940) 3.629 4.202 ( 0.000 2.127 -2.940) 3.629 4.264 ( 0.000 -1.279 -0.734) 1.475 4.264 ( 0.000 1.279 -0.734) 1.475 4.396 ( 0.000 -4.102 -8.494) 9.433 4.396 ( 0.000 4.102 -8.494) 9.433 4.590 ( 0.000 -2.966 4.708) 5.564 4.590 ( 0.000 2.966 4.708) 5.564 4.684 ( 0.000 -0.615 -2.612) 2.683 4.684 ( 0.000 0.615 -2.612) 2.683 4.843 ( 0.000 -0.633 -0.336) 0.716 4.843 ( 0.000 0.633 -0.336) 0.716 4.954 ( 0.000 -0.645 -0.747) 0.987 4.954 ( 0.000 0.645 -0.747) 0.987 5.044 ( 0.000 -0.120 -2.772) 2.775 5.044 ( 0.000 0.120 -2.772) 2.775 5.127 ( 0.000 -1.585 -0.530) 1.672 5.127 ( 0.000 1.585 -0.530) 1.672 5.147 ( 0.000 -1.457 -0.951) 1.740 5.147 ( 0.000 1.457 -0.951) 1.740 5.441 ( 0.000 -0.002 1.983) 1.983 5.441 ( 0.000 0.002 1.983) 1.983 5.582 ( 0.000 -0.690 -1.409) 1.569 5.582 ( 0.000 0.690 -1.409) 1.569 5.723 ( 0.000 -0.267 -0.642) 0.696 5.723 ( 0.000 0.267 -0.642) 0.696 5.836 ( 0.000 -0.613 -1.133) 1.288 5.836 ( 0.000 0.613 -1.133) 1.288 5.979 ( 0.000 -0.164 1.435) 1.445 5.979 ( 0.000 0.164 1.435) 1.445 6.165 ( 0.000 -0.137 0.983) 0.992 6.165 ( 0.000 0.137 0.983) 0.992 6.270 ( 0.000 -0.766 -0.315) 0.828 6.270 ( 0.000 0.766 -0.315) 0.828 6.380 ( 0.000 -0.145 -0.861) 0.873 6.380 ( 0.000 0.145 -0.861) 0.873 6.497 ( 0.000 -1.539 -0.707) 1.693 6.497 ( 0.000 1.539 -0.707) 1.693 6.756 ( 0.000 -2.993 3.248) 4.417 6.756 ( 0.000 2.993 3.248) 4.417 6.812 ( 0.000 -1.215 0.450) 1.295 6.812 ( 0.000 1.215 0.450) 1.295 7.105 ( 0.000 -4.808 0.875) 4.887 7.105 ( 0.000 4.808 0.875) 4.887 7.292 ( 0.000 -2.725 4.137) 4.953 7.292 ( 0.000 2.725 4.137) 4.953 7.566 ( 0.000 -2.185 -6.669) 7.018 7.566 ( 0.000 2.185 -6.669) 7.018 7.931 ( 0.000 -4.693 1.533) 4.937 7.931 ( 0.000 4.693 1.533) 4.937 8.067 ( 0.000 -4.326 2.396) 4.945 8.067 ( 0.000 4.326 2.396) 4.945 8.169 ( 0.000 -0.149 -0.075) 0.167 8.169 ( 0.000 0.149 -0.075) 0.167 8.374 ( 0.000 -1.300 6.954) 7.074 8.374 ( 0.000 1.300 6.954) 7.074 8.554 ( 0.000 -0.726 -7.094) 7.131 8.554 ( 0.000 0.726 -7.094) 7.131 8.713 ( 0.000 -1.474 -3.062) 3.399 8.713 ( 0.000 1.474 -3.062) 3.399 8.985 ( 0.000 -0.081 1.198) 1.200 8.985 ( 0.000 0.081 1.198) 1.200 9.088 ( 0.000 -1.581 -2.647) 3.084 9.088 ( 0.000 1.581 -2.647) 3.084 9.373 ( 0.000 -0.669 0.540) 0.860 9.373 ( 0.000 0.669 0.540) 0.860 9.483 ( 0.000 -1.384 -1.028) 1.724 9.483 ( 0.000 1.384 -1.028) 1.724 9.800 ( 0.000 -0.008 -0.011) 0.014 9.800 ( 0.000 0.008 -0.011) 0.014 10.035 ( 0.000 -1.268 3.107) 3.356 10.035 ( 0.000 1.268 3.107) 3.356 10.167 ( 0.000 -0.276 2.156) 2.173 10.167 ( 0.000 0.276 2.156) 2.173 10.798 ( 0.000 -0.622 -0.410) 0.745 10.798 ( 0.000 0.622 -0.410) 0.745 12.067 ( 0.000 -0.601 -1.640) 1.746 12.067 ( 0.000 0.601 -1.640) 1.746 12.389 ( 0.000 -0.477 1.174) 1.267 12.389 ( 0.000 0.477 1.174) 1.267 12.960 ( 0.000 -0.374 -0.827) 0.908 12.960 ( 0.000 0.374 -0.827) 0.908 13.071 ( 0.000 -0.569 2.918) 2.973 13.071 ( 0.000 0.569 2.918) 2.973 13.287 ( 0.000 -1.180 -3.069) 3.288 13.287 ( 0.000 1.180 -3.069) 3.288 13.606 ( 0.000 -0.372 1.127) 1.187 13.606 ( 0.000 0.372 1.127) 1.187 13.752 ( 0.000 -0.005 0.020) 0.021 13.752 ( 0.000 0.005 0.020) 0.021 14.000 ( 0.000 -0.567 -0.105) 0.577 14.000 ( 0.000 0.567 -0.105) 0.577 14.185 ( 0.000 -0.771 -0.231) 0.805 14.185 ( 0.000 0.771 -0.231) 0.805 14.271 ( 0.000 -0.488 0.784) 0.923 14.271 ( 0.000 0.488 0.784) 0.923 14.330 ( 0.000 -0.251 -0.457) 0.521 14.330 ( 0.000 0.251 -0.457) 0.521 14.528 ( 0.000 -0.052 2.000) 2.000 14.528 ( 0.000 0.052 2.000) 2.000 14.869 ( 0.000 -0.275 -2.272) 2.289 14.869 ( 0.000 0.275 -2.272) 2.289 14.967 ( 0.000 -0.159 0.061) 0.170 14.967 ( 0.000 0.159 0.061) 0.170 15.153 ( 0.000 -0.098 0.623) 0.631 15.153 ( 0.000 0.098 0.623) 0.631 15.298 ( 0.000 -0.079 -0.075) 0.109 15.298 ( 0.000 0.079 -0.075) 0.109 15.838 ( 0.000 -0.129 2.439) 2.442 15.838 ( 0.000 0.129 2.439) 2.442 16.598 ( 0.000 -0.120 -2.100) 2.103 16.598 ( 0.000 0.120 -2.100) 2.103 16.666 ( 0.000 -0.179 -2.204) 2.211 16.666 ( 0.000 0.179 -2.204) 2.211 16.912 ( 0.000 -0.508 0.948) 1.075 16.912 ( 0.000 0.508 0.948) 1.075 19.089 ( 0.000 -2.408 4.225) 4.863 19.089 ( 0.000 2.408 4.225) 4.863 19.185 ( 0.000 -2.178 2.737) 3.498 19.185 ( 0.000 2.178 2.737) 3.498 20.452 ( 0.000 -0.832 -3.164) 3.272 20.452 ( 0.000 0.832 -3.164) 3.272 20.655 ( 0.000 -1.945 -1.873) 2.700 20.655 ( 0.000 1.945 -1.873) 2.700 20.895 ( 0.000 -0.314 -4.316) 4.328 20.895 ( 0.000 0.314 -4.316) 4.328 21.227 ( 0.000 -1.949 2.866) 3.466 21.227 ( 0.000 1.949 2.866) 3.466 21.528 ( 0.000 -0.766 0.007) 0.766 21.528 ( 0.000 0.766 0.007) 0.766 21.829 ( 0.000 -0.500 7.038) 7.056 21.829 ( 0.000 0.500 7.038) 7.056 21.964 ( 0.000 -1.043 -2.424) 2.639 21.964 ( 0.000 1.043 -2.424) 2.639 22.127 ( 0.000 -0.238 -2.345) 2.357 22.127 ( 0.000 0.238 -2.345) 2.357 22.908 ( 0.000 -1.988 -1.333) 2.393 22.908 ( 0.000 1.988 -1.333) 2.393 23.152 ( 0.000 -0.938 1.373) 1.663 23.152 ( 0.000 0.938 1.373) 1.663 23.781 ( 0.000 -0.055 -1.467) 1.468 23.781 ( 0.000 0.055 -1.467) 1.468 24.095 ( 0.000 -0.116 -0.049) 0.126 24.095 ( 0.000 0.116 -0.049) 0.126 24.531 ( 0.000 -0.555 -0.164) 0.579 24.531 ( 0.000 0.555 -0.164) 0.579 24.701 ( 0.000 -0.069 -0.847) 0.850 24.701 ( 0.000 0.069 -0.847) 0.850 25.099 ( 0.000 -0.161 0.270) 0.314 25.099 ( 0.000 0.161 0.270) 0.314 25.307 ( 0.000 -0.011 0.669) 0.669 25.307 ( 0.000 0.011 0.669) 0.669 25.915 ( 0.000 -0.346 -0.576) 0.672 25.915 ( 0.000 0.346 -0.576) 0.672 26.123 ( 0.000 -0.155 0.354) 0.386 26.123 ( 0.000 0.155 0.354) 0.386 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.045 0.000 4.707) 5.133 1.332 ( -3.122 0.000 1.883) 3.646 1.441 ( 5.182 0.000 3.557) 6.285 1.518 ( 5.300 0.000 -3.257) 6.221 1.600 ( -0.076 0.000 2.571) 2.572 1.637 ( -1.281 0.000 -1.041) 1.651 1.949 ( -3.115 0.000 4.634) 5.584 1.975 ( -0.055 -0.000 1.719) 1.720 2.171 ( 8.424 0.000 0.943) 8.476 2.191 ( 5.498 0.000 0.625) 5.533 2.262 ( 5.180 0.000 6.206) 8.084 2.308 ( 4.871 0.000 4.229) 6.451 2.381 ( 5.208 0.000 1.542) 5.432 2.381 ( 5.077 -0.000 0.672) 5.121 2.553 ( -1.790 -0.000 -2.059) 2.728 2.559 ( 2.306 0.000 -2.418) 3.341 2.680 ( 3.320 0.000 4.822) 5.854 2.704 ( 4.401 -0.000 2.961) 5.304 2.867 ( -0.753 0.000 5.130) 5.185 2.892 ( -1.213 0.000 6.058) 6.178 2.936 ( -0.691 0.000 0.333) 0.767 3.000 ( -0.772 0.000 -0.539) 0.941 3.036 ( -9.023 0.000 7.617) 11.808 3.137 ( -4.050 0.000 0.848) 4.138 3.224 ( -2.099 0.000 1.389) 2.517 3.271 ( -1.840 0.000 -6.367) 6.627 3.368 ( -0.884 0.000 -1.662) 1.883 3.399 ( -0.011 0.000 -3.283) 3.283 3.514 ( -2.494 0.000 2.679) 3.660 3.528 ( -1.064 0.000 4.700) 4.819 3.603 ( 2.344 0.000 0.351) 2.370 3.640 ( -1.780 0.000 -1.725) 2.479 3.809 ( -2.675 0.000 3.310) 4.256 3.894 ( 4.286 0.001 1.883) 4.682 3.894 ( 0.728 -0.001 0.726) 1.028 3.961 ( 3.525 0.000 -8.514) 9.215 4.181 ( -2.908 0.000 -2.639) 3.927 4.204 ( -1.565 0.000 0.545) 1.657 4.223 ( -0.107 0.000 -2.402) 2.404 4.240 ( -6.636 0.000 -6.399) 9.219 4.332 ( 1.245 0.000 -3.647) 3.854 4.394 ( 0.220 0.000 -9.091) 9.093 4.551 ( -3.015 0.000 4.329) 5.276 4.589 ( -4.069 0.000 0.885) 4.164 4.673 ( -0.315 0.000 -1.931) 1.956 4.708 ( -0.269 0.000 -2.531) 2.545 4.811 ( 1.104 0.000 -1.309) 1.712 4.839 ( -4.050 0.000 -2.927) 4.997 4.875 ( -3.014 0.000 3.158) 4.366 4.882 ( -3.027 -0.000 0.116) 3.029 5.033 ( -0.727 0.000 2.554) 2.656 5.053 ( -2.133 0.000 -0.326) 2.158 5.095 ( 0.051 0.000 -1.128) 1.129 5.134 ( -0.631 0.000 -3.424) 3.482 5.158 ( -0.143 0.000 -0.315) 0.346 5.197 ( 2.839 0.000 -5.067) 5.808 5.454 ( 2.717 0.000 1.382) 3.048 5.465 ( 2.302 0.000 1.122) 2.561 5.565 ( 0.378 0.000 2.284) 2.315 5.638 ( 4.793 -0.000 -3.601) 5.995 5.712 ( -3.786 0.000 0.443) 3.812 5.725 ( -7.271 -0.000 -0.673) 7.302 5.775 ( 2.111 0.000 -0.706) 2.226 5.814 ( 0.873 0.000 -2.746) 2.882 5.917 ( -5.215 0.000 1.437) 5.409 5.956 ( -5.481 0.000 -1.222) 5.615 6.150 ( 2.759 0.000 0.348) 2.781 6.166 ( 2.859 0.000 -1.325) 3.151 6.294 ( -1.028 0.000 1.246) 1.616 6.319 ( 1.349 0.000 -0.899) 1.621 6.447 ( 6.163 0.000 3.137) 6.916 6.493 ( 7.040 0.000 1.757) 7.256 6.531 ( 3.182 0.000 -0.759) 3.272 6.572 ( 7.634 0.000 -0.637) 7.661 6.749 ( -2.028 0.000 3.745) 4.259 6.764 ( 2.247 0.000 6.976) 7.329 6.795 ( -2.218 0.000 -1.728) 2.811 6.828 ( 2.977 0.000 -1.176) 3.201 7.096 ( -2.000 0.000 -0.160) 2.007 7.124 ( -0.538 0.000 -3.009) 3.056 7.253 ( 0.984 0.000 8.037) 8.097 7.323 ( 1.567 0.000 2.079) 2.603 7.528 ( -3.637 -0.000 -3.200) 4.844 7.551 ( -2.618 0.000 -5.888) 6.444 7.814 ( -8.320 -0.000 -1.509) 8.456 7.830 ( -5.477 0.000 -4.176) 6.888 7.999 ( -6.154 0.000 3.326) 6.995 8.035 ( -4.950 0.000 0.224) 4.955 8.142 ( 1.690 0.000 5.733) 5.977 8.232 ( 1.317 0.000 1.756) 2.195 8.361 ( 3.480 0.000 4.603) 5.771 8.496 ( 6.364 0.000 5.051) 8.125 8.537 ( -2.807 0.000 1.013) 2.985 8.569 ( 0.985 0.000 -9.356) 9.408 8.684 ( -2.152 0.000 -2.011) 2.946 8.760 ( 4.979 0.000 -6.939) 8.541 9.000 ( 0.459 0.000 2.098) 2.148 9.047 ( 4.555 0.000 -1.069) 4.678 9.098 ( 1.373 -0.000 -0.410) 1.433 9.121 ( 1.978 0.000 -3.333) 3.876 9.305 ( -2.949 0.000 2.234) 3.700 9.369 ( -2.452 0.000 -4.682) 5.285 9.480 ( 1.283 0.000 3.367) 3.603 9.537 ( 2.285 0.000 -2.694) 3.532 9.757 ( -1.504 0.000 2.163) 2.635 9.795 ( -0.809 0.000 -1.947) 2.108 9.989 ( -1.823 0.000 4.993) 5.316 10.022 ( -2.586 0.000 0.944) 2.753 10.282 ( 9.223 0.000 3.320) 9.802 10.283 ( 10.592 -0.000 3.430) 11.134 10.725 ( -6.998 -0.000 -1.348) 7.127 10.727 ( -7.108 0.000 -1.518) 7.269 12.043 ( -0.866 0.000 0.835) 1.203 12.096 ( 1.271 0.000 -4.696) 4.865 12.388 ( 0.677 0.000 3.686) 3.747 12.429 ( 2.423 0.000 -0.869) 2.575 12.967 ( 1.330 0.000 0.874) 1.591 12.994 ( 2.659 0.000 -1.793) 3.208 13.053 ( -1.226 0.000 2.814) 3.070 13.078 ( -0.090 0.000 1.700) 1.703 13.263 ( -1.400 0.000 -1.364) 1.954 13.304 ( 0.717 0.000 -4.371) 4.430 13.595 ( 0.218 0.000 2.383) 2.393 13.620 ( 0.507 0.000 0.113) 0.520 13.781 ( 2.344 0.000 0.018) 2.344 13.782 ( 3.387 -0.000 -0.156) 3.391 13.991 ( -1.233 0.000 0.862) 1.505 14.008 ( 0.031 0.000 -0.641) 0.642 14.186 ( 0.381 0.000 -0.141) 0.407 14.188 ( 0.026 0.000 -0.329) 0.330 14.251 ( -1.615 0.000 0.560) 1.709 14.255 ( -1.827 0.000 0.153) 1.833 14.317 ( 0.035 0.000 1.292) 1.293 14.339 ( 0.086 0.000 -0.962) 0.966 14.441 ( -6.220 0.000 2.325) 6.640 14.460 ( -6.522 0.000 0.501) 6.541 14.850 ( -1.045 0.000 -0.892) 1.374 14.871 ( -0.188 0.000 -3.278) 3.283 14.967 ( -0.153 0.000 0.123) 0.196 14.971 ( 0.175 0.000 -0.319) 0.364 15.115 ( -1.207 0.000 1.098) 1.632 15.132 ( -1.232 0.000 -0.646) 1.391 15.324 ( 2.155 0.000 3.689) 4.272 15.385 ( 4.381 0.000 -2.383) 4.987 15.878 ( 5.718 0.000 7.402) 9.353 15.980 ( 11.216 0.000 -1.784) 11.357 16.458 ( -10.025 0.000 -0.325) 10.031 16.524 ( -6.441 0.000 -6.034) 8.826 16.702 ( 2.200 0.000 -0.740) 2.321 16.719 ( 2.065 0.000 -2.366) 3.141 16.909 ( -0.140 0.000 1.313) 1.321 16.915 ( 0.126 0.000 0.615) 0.627 19.094 ( 0.667 -0.000 4.493) 4.542 19.106 ( 1.486 0.000 3.590) 3.885 19.174 ( -1.093 -0.000 3.199) 3.380 19.181 ( -0.483 0.000 2.794) 2.835 20.453 ( 0.084 0.000 -3.354) 3.355 20.454 ( 0.161 -0.000 -3.436) 3.440 20.582 ( -3.147 0.000 0.732) 3.231 20.676 ( -1.220 0.000 -9.273) 9.352 20.911 ( 5.324 0.000 4.212) 6.789 21.014 ( 6.855 0.000 -6.226) 9.260 21.184 ( -3.480 0.000 5.771) 6.739 21.248 ( 1.250 0.000 -0.599) 1.387 21.474 ( -4.622 0.000 0.796) 4.690 21.517 ( -1.678 0.000 -2.928) 3.374 21.763 ( -3.049 0.000 8.275) 8.819 21.835 ( -1.423 0.000 3.988) 4.235 21.968 ( 2.375 0.000 -0.445) 2.416 22.020 ( 2.861 0.000 -2.934) 4.098 22.092 ( -2.600 0.000 -1.112) 2.828 22.116 ( -1.617 0.000 -2.938) 3.353 22.900 ( -0.155 0.000 0.242) 0.288 22.924 ( 0.859 0.000 -2.463) 2.609 23.131 ( -0.988 0.000 3.254) 3.401 23.164 ( 0.289 0.000 -0.197) 0.349 23.836 ( 5.301 0.000 -0.937) 5.383 23.840 ( 5.286 0.000 -1.320) 5.448 24.057 ( -3.793 0.000 0.007) 3.793 24.061 ( -3.413 0.000 -0.430) 3.440 24.550 ( 2.194 0.000 0.347) 2.222 24.563 ( 2.801 0.000 -0.841) 2.925 24.673 ( -2.411 0.000 -0.329) 2.434 24.684 ( -2.092 0.000 -1.353) 2.491 25.112 ( 1.231 0.000 0.166) 1.242 25.114 ( 1.295 0.000 -0.070) 1.297 25.284 ( -1.927 0.000 1.082) 2.210 25.289 ( -1.713 0.000 0.629) 1.825 25.937 ( 2.136 -0.000 -0.475) 2.188 25.938 ( 2.170 0.000 -0.564) 2.243 26.097 ( -2.376 0.000 0.361) 2.403 26.098 ( -2.326 0.000 0.269) 2.342 ======================= Grid point 114 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 -0.000 4.089) 4.089 1.296 ( 0.000 0.000 2.306) 2.306 1.529 ( -0.000 0.000 3.224) 3.224 1.540 ( 0.000 0.000 2.925) 2.925 1.601 ( 0.000 0.000 1.143) 1.143 1.672 ( -0.000 0.000 -5.694) 5.694 1.865 ( 0.000 0.000 10.668) 10.668 1.967 ( 0.000 0.000 1.037) 1.037 2.256 ( 0.000 0.000 -2.440) 2.440 2.259 ( -0.000 0.000 -2.957) 2.957 2.291 ( 0.000 0.000 9.571) 9.571 2.394 ( -0.000 0.000 3.586) 3.586 2.418 ( 0.000 0.000 2.656) 2.656 2.458 ( 0.000 0.000 -2.579) 2.579 2.545 ( 0.000 0.000 -1.270) 1.270 2.637 ( 0.000 0.000 -8.095) 8.095 2.783 ( -0.000 0.000 14.036) 14.036 2.818 ( -0.000 0.000 1.389) 1.389 2.837 ( 0.000 0.000 1.910) 1.910 2.846 ( 0.000 0.000 7.584) 7.584 2.908 ( 0.000 -0.000 1.268) 1.268 2.916 ( 0.000 0.000 3.289) 3.289 2.938 ( 0.000 0.000 9.565) 9.565 3.122 ( 0.000 0.000 -6.197) 6.197 3.207 ( 0.000 0.000 3.764) 3.764 3.296 ( 0.000 0.000 -6.451) 6.451 3.326 ( 0.000 0.000 3.065) 3.065 3.391 ( 0.000 -0.000 -2.334) 2.334 3.459 ( 0.000 0.000 1.779) 1.779 3.478 ( 0.000 0.000 -1.240) 1.240 3.614 ( 0.000 0.000 -3.619) 3.619 3.640 ( 0.000 0.000 -5.486) 5.486 3.786 ( 0.000 0.000 8.332) 8.332 3.887 ( 0.000 0.000 5.155) 5.155 3.957 ( 0.000 0.000 1.203) 1.203 3.985 ( 0.000 0.000 -9.149) 9.149 4.138 ( 0.000 0.000 -4.889) 4.889 4.145 ( 0.000 -0.000 -4.918) 4.918 4.201 ( 0.000 0.000 0.354) 0.354 4.241 ( 0.000 0.000 -4.505) 4.505 4.358 ( 0.000 0.000 0.032) 0.032 4.438 ( -0.000 0.000 -7.106) 7.106 4.466 ( 0.000 0.000 2.913) 2.913 4.554 ( 0.000 0.000 -6.352) 6.352 4.621 ( 0.000 0.000 3.634) 3.634 4.691 ( 0.000 0.000 -3.107) 3.107 4.793 ( 0.000 0.000 2.229) 2.229 4.819 ( 0.000 0.000 0.233) 0.233 4.862 ( 0.000 0.000 0.806) 0.806 4.895 ( 0.000 0.000 -2.618) 2.618 5.014 ( 0.000 0.000 0.654) 0.654 5.029 ( 0.000 -0.000 -0.879) 0.879 5.102 ( 0.000 0.000 -0.916) 0.916 5.129 ( 0.000 0.000 -3.726) 3.726 5.139 ( 0.000 0.000 2.563) 2.563 5.209 ( 0.000 0.000 -4.515) 4.515 5.528 ( 0.000 0.000 5.108) 5.108 5.546 ( 0.000 0.000 2.077) 2.077 5.584 ( -0.000 0.000 -2.970) 2.970 5.594 ( 0.000 0.000 -3.200) 3.200 5.611 ( -0.000 0.000 1.659) 1.659 5.713 ( 0.000 0.000 -4.653) 4.653 5.812 ( 0.000 0.000 -3.128) 3.128 5.829 ( 0.000 0.000 4.601) 4.601 5.861 ( -0.000 0.000 0.843) 0.843 5.863 ( -0.000 0.000 -6.588) 6.588 6.206 ( 0.000 0.000 -0.084) 0.084 6.213 ( 0.000 0.000 -1.101) 1.101 6.264 ( 0.000 0.000 3.888) 3.888 6.317 ( 0.000 0.000 -1.293) 1.293 6.527 ( 0.000 0.000 0.591) 0.591 6.566 ( 0.000 0.000 -4.159) 4.159 6.581 ( 0.000 0.000 8.485) 8.485 6.625 ( 0.000 0.000 5.087) 5.087 6.751 ( 0.000 0.000 -1.443) 1.443 6.765 ( 0.000 0.000 -5.619) 5.619 6.821 ( 0.000 0.000 11.464) 11.464 6.889 ( -0.000 0.000 10.370) 10.370 7.031 ( 0.000 0.000 -8.226) 8.226 7.068 ( 0.000 0.000 -7.507) 7.507 7.348 ( 0.000 0.000 1.139) 1.139 7.374 ( 0.000 -0.000 -1.909) 1.909 7.407 ( 0.000 -0.000 9.574) 9.574 7.500 ( 0.000 0.000 0.395) 0.395 7.727 ( 0.000 -0.000 -4.346) 4.346 7.799 ( 0.000 0.000 -14.267) 14.267 7.933 ( 0.000 -0.000 1.825) 1.825 7.951 ( 0.000 0.000 1.640) 1.640 8.159 ( 0.000 0.000 8.399) 8.399 8.246 ( 0.000 0.000 5.540) 5.540 8.453 ( 0.000 0.000 -3.290) 3.290 8.453 ( -0.000 0.000 8.729) 8.729 8.571 ( -0.000 0.000 3.898) 3.898 8.576 ( 0.000 0.000 -11.271) 11.271 8.656 ( -0.000 0.000 0.870) 0.870 8.836 ( 0.000 0.000 -11.870) 11.870 8.987 ( 0.000 0.000 6.955) 6.955 9.113 ( 0.000 0.000 -5.795) 5.795 9.114 ( 0.000 0.000 0.803) 0.803 9.128 ( -0.000 0.000 -0.712) 0.712 9.281 ( 0.000 0.000 1.749) 1.749 9.339 ( 0.000 0.000 -5.104) 5.104 9.492 ( 0.000 0.000 3.770) 3.770 9.556 ( 0.000 0.000 -3.199) 3.199 9.753 ( 0.000 0.000 2.558) 2.558 9.792 ( 0.000 0.000 -1.831) 1.831 9.967 ( 0.000 0.000 4.297) 4.297 9.988 ( 0.000 0.000 1.419) 1.419 10.429 ( 0.000 0.000 9.441) 9.441 10.455 ( 0.000 0.000 8.723) 8.723 10.592 ( 0.000 0.000 -7.469) 7.469 10.602 ( 0.000 0.000 -6.798) 6.798 12.034 ( 0.000 0.000 1.709) 1.709 12.109 ( 0.000 0.000 -6.104) 6.104 12.397 ( 0.000 0.000 4.915) 4.915 12.457 ( 0.000 0.000 -1.657) 1.657 12.991 ( 0.000 0.000 2.670) 2.670 13.033 ( 0.000 0.000 1.662) 1.662 13.037 ( 0.000 0.000 -2.181) 2.181 13.066 ( -0.000 0.000 0.364) 0.364 13.245 ( 0.000 0.000 0.123) 0.123 13.311 ( 0.000 0.000 -4.982) 4.982 13.605 ( 0.000 0.000 2.469) 2.469 13.626 ( 0.000 0.000 0.409) 0.409 13.815 ( 0.000 0.000 0.851) 0.851 13.845 ( 0.000 0.000 -2.257) 2.257 13.952 ( 0.000 0.000 3.157) 3.157 13.997 ( 0.000 0.000 -1.329) 1.329 14.179 ( 0.000 0.000 -0.037) 0.037 14.188 ( 0.000 0.000 -0.954) 0.954 14.239 ( 0.000 -0.000 0.835) 0.835 14.242 ( 0.000 0.000 0.429) 0.429 14.328 ( 0.000 0.000 0.786) 0.786 14.333 ( 0.000 0.000 0.436) 0.436 14.364 ( -0.000 0.000 1.116) 1.116 14.376 ( 0.000 0.000 0.004) 0.004 14.839 ( 0.000 0.000 -0.476) 0.476 14.868 ( 0.000 0.000 -3.740) 3.740 14.965 ( 0.000 0.000 0.488) 0.488 14.972 ( 0.000 0.000 -0.428) 0.428 15.108 ( 0.000 0.000 0.677) 0.677 15.122 ( 0.000 0.000 -0.737) 0.737 15.345 ( 0.000 0.000 5.108) 5.108 15.427 ( 0.000 0.000 -2.903) 2.903 15.961 ( 0.000 0.000 10.981) 10.981 16.194 ( -0.000 0.000 -13.041) 13.041 16.261 ( 0.000 0.000 9.952) 9.952 16.441 ( 0.000 0.000 -9.072) 9.072 16.722 ( 0.000 0.000 -0.696) 0.696 16.738 ( 0.000 0.000 -2.198) 2.198 16.907 ( 0.000 0.000 1.466) 1.466 16.917 ( 0.000 0.000 0.494) 0.494 19.103 ( 0.000 -0.000 4.615) 4.615 19.133 ( 0.000 0.000 1.594) 1.594 19.152 ( 0.000 -0.000 5.178) 5.178 19.174 ( 0.000 0.000 2.843) 2.843 20.454 ( 0.000 0.000 -3.547) 3.547 20.456 ( 0.000 -0.000 -3.871) 3.871 20.550 ( 0.000 0.000 1.247) 1.247 20.658 ( 0.000 0.000 -10.574) 10.574 21.006 ( -0.000 0.000 5.718) 5.718 21.095 ( 0.000 0.000 -3.247) 3.247 21.116 ( 0.000 0.000 8.175) 8.175 21.276 ( 0.000 0.000 -8.462) 8.462 21.398 ( 0.000 0.000 4.183) 4.183 21.494 ( 0.000 0.000 -5.291) 5.291 21.733 ( 0.000 0.000 8.834) 8.834 21.818 ( 0.000 0.000 3.380) 3.380 22.010 ( 0.000 0.000 -2.417) 2.417 22.050 ( 0.000 0.000 1.502) 1.502 22.060 ( 0.000 0.000 -3.736) 3.736 22.085 ( -0.000 0.000 -2.324) 2.324 22.899 ( 0.000 0.000 0.997) 0.997 22.934 ( 0.000 0.000 -2.862) 2.862 23.120 ( 0.000 0.000 4.072) 4.072 23.166 ( 0.000 0.000 -0.707) 0.707 23.932 ( -0.000 0.000 0.060) 0.060 23.944 ( -0.000 0.000 -1.353) 1.353 23.967 ( 0.000 0.000 0.767) 0.767 23.991 ( 0.000 0.000 -1.793) 1.793 24.593 ( 0.000 0.000 0.989) 0.989 24.626 ( -0.000 0.000 -0.238) 0.238 24.627 ( 0.000 0.000 -2.469) 2.469 24.629 ( 0.000 0.000 -0.608) 0.608 25.130 ( 0.000 0.000 -0.215) 0.215 25.132 ( 0.000 0.000 -0.446) 0.446 25.258 ( 0.000 0.000 1.552) 1.552 25.266 ( -0.000 0.000 0.837) 0.837 25.971 ( 0.000 0.000 -0.434) 0.434 25.972 ( 0.000 0.000 -0.574) 0.574 26.061 ( 0.000 -0.000 0.381) 0.381 26.062 ( 0.000 0.000 0.252) 0.252 =================== 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 3/30720 10.0 45.899 57.430 39.143 0.000 0.000 0.000 3/30720 20.0 5.527 7.224 5.189 0.000 0.000 0.000 3/30720 30.0 2.300 3.083 2.374 0.000 0.000 0.000 3/30720 40.0 1.400 1.894 1.554 0.000 0.000 0.000 3/30720 50.0 1.006 1.372 1.185 0.000 0.000 0.000 3/30720 60.0 0.792 1.088 0.979 0.000 0.000 0.000 3/30720 70.0 0.660 0.913 0.849 0.000 0.000 0.000 3/30720 80.0 0.570 0.795 0.758 0.000 0.000 0.000 3/30720 90.0 0.506 0.710 0.691 0.000 0.000 0.000 3/30720 100.0 0.458 0.645 0.639 0.000 0.000 0.000 3/30720 110.0 0.420 0.594 0.596 0.000 0.000 0.000 3/30720 120.0 0.389 0.552 0.559 0.000 0.000 0.000 3/30720 130.0 0.363 0.518 0.528 0.000 0.000 0.000 3/30720 140.0 0.341 0.489 0.501 0.000 0.000 0.000 3/30720 150.0 0.322 0.463 0.478 0.000 0.000 0.000 3/30720 160.0 0.306 0.441 0.456 0.000 0.000 0.000 3/30720 170.0 0.291 0.422 0.437 0.000 0.000 0.000 3/30720 180.0 0.278 0.405 0.420 0.000 0.000 0.000 3/30720 190.0 0.266 0.390 0.404 0.000 0.000 0.000 3/30720 200.0 0.255 0.376 0.390 0.000 0.000 0.000 3/30720 210.0 0.245 0.363 0.376 0.000 0.000 0.000 3/30720 220.0 0.236 0.351 0.364 0.000 0.000 0.000 3/30720 230.0 0.228 0.341 0.352 0.000 0.000 0.000 3/30720 240.0 0.220 0.331 0.342 0.000 0.000 0.000 3/30720 250.0 0.213 0.322 0.332 0.000 0.000 0.000 3/30720 260.0 0.206 0.313 0.322 0.000 0.000 0.000 3/30720 270.0 0.200 0.305 0.313 0.000 0.000 0.000 3/30720 280.0 0.194 0.297 0.305 0.000 0.000 0.000 3/30720 290.0 0.188 0.290 0.297 0.000 0.000 0.000 3/30720 300.0 0.183 0.283 0.289 0.000 0.000 0.000 3/30720 310.0 0.178 0.277 0.282 0.000 0.000 0.000 3/30720 320.0 0.173 0.270 0.275 0.000 0.000 0.000 3/30720 330.0 0.169 0.264 0.269 0.000 0.000 0.000 3/30720 340.0 0.164 0.259 0.262 0.000 0.000 0.000 3/30720 350.0 0.160 0.253 0.256 0.000 0.000 0.000 3/30720 360.0 0.156 0.248 0.251 0.000 0.000 0.000 3/30720 370.0 0.153 0.243 0.245 0.000 0.000 0.000 3/30720 380.0 0.149 0.238 0.240 0.000 0.000 0.000 3/30720 390.0 0.146 0.234 0.235 0.000 0.000 0.000 3/30720 400.0 0.143 0.229 0.230 0.000 0.000 0.000 3/30720 410.0 0.140 0.225 0.225 0.000 0.000 0.000 3/30720 420.0 0.137 0.221 0.221 0.000 0.000 0.000 3/30720 430.0 0.134 0.217 0.216 0.000 0.000 0.000 3/30720 440.0 0.131 0.213 0.212 0.000 0.000 0.000 3/30720 450.0 0.128 0.209 0.208 0.000 0.000 0.000 3/30720 460.0 0.126 0.205 0.204 0.000 0.000 0.000 3/30720 470.0 0.124 0.202 0.201 0.000 0.000 0.000 3/30720 480.0 0.121 0.199 0.197 0.000 0.000 0.000 3/30720 490.0 0.119 0.195 0.194 0.000 0.000 0.000 3/30720 500.0 0.117 0.192 0.190 0.000 0.000 0.000 3/30720 510.0 0.115 0.189 0.187 0.000 0.000 0.000 3/30720 520.0 0.113 0.186 0.184 0.000 0.000 0.000 3/30720 530.0 0.111 0.183 0.181 0.000 0.000 0.000 3/30720 540.0 0.109 0.180 0.178 0.000 0.000 0.000 3/30720 550.0 0.107 0.177 0.175 0.000 0.000 0.000 3/30720 560.0 0.105 0.175 0.172 0.000 0.000 0.000 3/30720 570.0 0.103 0.172 0.169 0.000 0.000 0.000 3/30720 580.0 0.102 0.170 0.167 0.000 0.000 0.000 3/30720 590.0 0.100 0.167 0.164 0.000 0.000 0.000 3/30720 600.0 0.099 0.165 0.162 0.000 0.000 0.000 3/30720 610.0 0.097 0.162 0.159 0.000 0.000 0.000 3/30720 620.0 0.096 0.160 0.157 0.000 0.000 0.000 3/30720 630.0 0.094 0.158 0.155 0.000 0.000 0.000 3/30720 640.0 0.093 0.156 0.153 0.000 0.000 0.000 3/30720 650.0 0.092 0.154 0.150 0.000 0.000 0.000 3/30720 660.0 0.090 0.152 0.148 0.000 0.000 0.000 3/30720 670.0 0.089 0.150 0.146 0.000 0.000 0.000 3/30720 680.0 0.088 0.148 0.144 0.000 0.000 0.000 3/30720 690.0 0.087 0.146 0.142 0.000 0.000 0.000 3/30720 700.0 0.085 0.144 0.140 0.000 0.000 0.000 3/30720 710.0 0.084 0.142 0.139 0.000 0.000 0.000 3/30720 720.0 0.083 0.140 0.137 0.000 0.000 0.000 3/30720 730.0 0.082 0.139 0.135 0.000 0.000 0.000 3/30720 740.0 0.081 0.137 0.133 0.000 0.000 0.000 3/30720 750.0 0.080 0.135 0.132 0.000 0.000 0.000 3/30720 760.0 0.079 0.134 0.130 0.000 0.000 0.000 3/30720 770.0 0.078 0.132 0.129 0.000 0.000 0.000 3/30720 780.0 0.077 0.131 0.127 0.000 0.000 0.000 3/30720 790.0 0.076 0.129 0.125 0.000 0.000 0.000 3/30720 800.0 0.075 0.128 0.124 0.000 0.000 0.000 3/30720 810.0 0.074 0.126 0.123 0.000 0.000 0.000 3/30720 820.0 0.073 0.125 0.121 0.000 0.000 0.000 3/30720 830.0 0.073 0.123 0.120 0.000 0.000 0.000 3/30720 840.0 0.072 0.122 0.118 0.000 0.000 0.000 3/30720 850.0 0.071 0.121 0.117 0.000 0.000 0.000 3/30720 860.0 0.070 0.119 0.116 0.000 0.000 0.000 3/30720 870.0 0.069 0.118 0.115 0.000 0.000 0.000 3/30720 880.0 0.069 0.117 0.113 0.000 0.000 0.000 3/30720 890.0 0.068 0.116 0.112 0.000 0.000 0.000 3/30720 900.0 0.067 0.115 0.111 0.000 0.000 0.000 3/30720 910.0 0.066 0.113 0.110 0.000 0.000 0.000 3/30720 920.0 0.066 0.112 0.109 0.000 0.000 0.000 3/30720 930.0 0.065 0.111 0.108 0.000 0.000 0.000 3/30720 940.0 0.064 0.110 0.106 0.000 0.000 0.000 3/30720 950.0 0.064 0.109 0.105 0.000 0.000 0.000 3/30720 960.0 0.063 0.108 0.104 0.000 0.000 0.000 3/30720 970.0 0.062 0.107 0.103 0.000 0.000 0.000 3/30720 980.0 0.062 0.106 0.102 0.000 0.000 0.000 3/30720 990.0 0.061 0.105 0.101 0.000 0.000 0.000 3/30720 1000.0 0.061 0.104 0.100 0.000 0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m485.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:29:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|